A0A087XYA3_POEFO Loading...

FAM20C golgi associated secretory pathway kinase

AlphaFold DB , UniProt , Accession A0A087XYA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 569 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
1M55.6Low69.2Low197 Ų197141.5 Ų141.597%0.9766%0.658SS**  0-40.20-69.9175.978.800114.9L3 F4M1-L3 PolarHBondContact O-N 3.41Å; M1-F4 PolarHBondContact O-N 3.24Å
2I55.8Low70.7Confident130 Ų130139 Ų13967%0.66765%0.652SS**Hα-helixtrans-60.4-42.4-171.2-64.4170.7000114F4 R5 K6I2-F4 PolarHBondContact O-N 3.49Å; I2-R5 PolarHBondContact O-N 3.12Å; I2-R5 VanDerWaalsContact O-N 3.16Å; I2-K6 PolarHBondContact O-N 3.21Å
3L56Low72Confident147 Ų147137.2 Ų137.277%0.7765%0.645SS**Hα-helixtrans-55-46.8178.2-102.972.3000112.9M1 R5 K6 F7M1-L3 PolarHBondContact O-N 3.41Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.82Å; L3-K6 PolarHBondContact O-N 2.87Å; L3-K6 VanDerWaalsContact O-N 3.11Å; L3-F7 PolarHBondContact O-N 3.06Å
4F56.6Low73.3Confident151 Ų151134.2 Ų134.266%0.66264%0.641SS**Hα-helixtrans-61.6-32-180-99.1-87.7000113.3M1 I2 R8M1-F4 PolarHBondContact O-N 3.24Å; I2-F4 PolarHBondContact O-N 3.49Å; F4-R8 WeakPolarHBondContact O-CG 3.35Å; F4-R8 PolarHBondContact O-N 3.27Å; F4-R8 VanDerWaalsContact O-N 3.14Å
5R65.9Low74.4Confident189 Ų189134.7 Ų134.771%0.71364%0.639SS**Hα-helixtrans-69.5-45.6172.7-74.7-173.6172.3179-2.9111.2I2 L3 F7 R8 V9I2-R5 PolarHBondContact O-N 3.12Å; I2-R5 VanDerWaalsContact O-N 3.16Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.82Å; R5-F7 VanDerWaalsContact C-N 3.34Å; R5-F7 PolarHBondContact O-N 3.02Å; R5-R8 PolarHBondContact O-N 3.14Å; R5-V9 WeakPolarHBondContact O-CG2 3.43Å; R5-V9 PolarHBondContact O-N 3.4Å
6K66.8Low75.3Confident155 Ų155132.9 Ų132.967%0.67463%0.634SS**Hα-helixtrans-60.4-41.8175.8-69.2-167.9174.7-170.90112.2I2 L3 V9 L10I2-K6 PolarHBondContact O-N 3.21Å; L3-K6 PolarHBondContact O-N 2.87Å; L3-K6 VanDerWaalsContact O-N 3.11Å; K6-V9 PolarHBondContact O-N 2.77Å; K6-L10 PolarHBondContact O-N 2.64Å
7F75.8Confident76.3Confident127 Ų127129.9 Ų129.956%0.55763%0.626SS**Hα-helixtrans-65.4-42.6178.7-166.6-111.6000112.7L3 R5 V9 L10 I11L3-F7 PolarHBondContact O-N 3.06Å; R5-F7 VanDerWaalsContact C-N 3.34Å; R5-F7 PolarHBondContact O-N 3.02Å; F7-V9 PolarHBondContact O-N 2.94Å; F7-L10 WeakPolarHBondContact O-CB 3.46Å; F7-L10 PolarHBondContact O-N 2.89Å; F7-I11 HydrophobicContact CD1-CD1 3.85Å; F7-I11 HydrophobicContact CE1-CD1 3.6Å; F7-I11 HydrophobicContact CZ-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.42Å; F7-I11 PolarHBondContact O-N 3.16Å
8R76.4Confident77Confident171 Ų171125.1 Ų125.165%0.64561%0.611SS**Hα-helixtrans-64.7-37.4174.4-74.8-178177.8-170.1-0.4113F4 R5 I11 L12F4-R8 WeakPolarHBondContact O-CG 3.35Å; F4-R8 PolarHBondContact O-N 3.27Å; F4-R8 VanDerWaalsContact O-N 3.14Å; R5-R8 PolarHBondContact O-N 3.14Å; R8-I11 PolarHBondContact O-N 3.24Å; R8-L12 PolarHBondContact O-N 3.35Å
9V82Confident77.4Confident88 Ų88121.2 Ų121.253%0.53360%0.597SS.*Hα-helixtrans-65-41.1172.8171.50000111R5 K6 F7 I11 L12 M13R5-V9 WeakPolarHBondContact O-CG2 3.43Å; R5-V9 PolarHBondContact O-N 3.4Å; K6-V9 PolarHBondContact O-N 2.77Å; F7-V9 PolarHBondContact O-N 2.94Å; V9-I11 PolarHBondContact O-N 2.72Å; V9-L12 PolarHBondContact O-N 3.31Å; V9-M13 HydrophobicContact CG1-CG 4.35Å; V9-M13 VanDerWaalsContact O-CG 3.3Å; V9-M13 WeakPolarHBondContact O-CG 3.46Å; V9-M13 PolarHBondContact O-N 3.46Å
10L84.8Confident77.8Confident112 Ų112119.2 Ų119.259%0.58659%0.592SS**Hα-helixtrans-60.3-46.1176.4-158.185.7000111.7K6 F7 L12 M13 V14K6-L10 PolarHBondContact O-N 2.64Å; F7-L10 WeakPolarHBondContact O-CB 3.46Å; F7-L10 PolarHBondContact O-N 2.89Å; L10-L12 PolarHBondContact O-N 3.26Å; L10-M13 PolarHBondContact O-N 3.2Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 2.81Å
11I85.9Confident78.2Confident90 Ų90118.2 Ų118.246%0.46259%0.589SS.*Hα-helixtrans-60.7-45.1176.4-68.8169.5000111.1F7 R8 V9 M13 V14 F15F7-I11 HydrophobicContact CD1-CD1 3.85Å; F7-I11 HydrophobicContact CE1-CD1 3.6Å; F7-I11 HydrophobicContact CZ-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.42Å; F7-I11 PolarHBondContact O-N 3.16Å; R8-I11 PolarHBondContact O-N 3.24Å; V9-I11 PolarHBondContact O-N 2.72Å; I11-M13 VanDerWaalsContact C-N 3.34Å; I11-M13 PolarHBondContact O-N 3.44Å; I11-V14 PolarHBondContact O-N 3.16Å; I11-F15 WeakPolarHBondContact O-CB 3.42Å; I11-F15 PolarHBondContact O-N 2.95Å
12L86.8Confident79.3Confident111 Ų111114.8 Ų114.858%0.58157%0.57SS**Hα-helixtrans-61-40.6176.5-83.9163.6000112.5R8 V9 L10 F15 L16R8-L12 PolarHBondContact O-N 3.35Å; V9-L12 PolarHBondContact O-N 3.31Å; L10-L12 PolarHBondContact O-N 3.26Å; L12-F15 PolarHBondContact O-N 3.09Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.82Å
13M87.7Confident80.6Confident115 Ų115113.2 Ų113.257%0.56756%0.562SS**Hα-helixtrans-66.8-41.8176.6-68.3-67-75.300111.9V9 L10 I11 L16 V17V9-M13 HydrophobicContact CG1-CG 4.35Å; V9-M13 VanDerWaalsContact O-CG 3.3Å; V9-M13 WeakPolarHBondContact O-CG 3.46Å; V9-M13 PolarHBondContact O-N 3.46Å; L10-M13 PolarHBondContact O-N 3.2Å; I11-M13 VanDerWaalsContact C-N 3.34Å; I11-M13 PolarHBondContact O-N 3.44Å; M13-L16 PolarHBondContact O-N 3.3Å; M13-V17 VanDerWaalsContact O-CG2 3.3Å; M13-V17 WeakPolarHBondContact O-CG2 3.48Å; M13-V17 PolarHBondContact O-N 2.68Å
14V90.1Very high81.6Confident96 Ų96111.5 Ų111.558%0.58255%0.551SS**Hα-helixtrans-62.8-42.3174.5171.10000111.1L10 I11 V17 A18L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 2.81Å; I11-V14 PolarHBondContact O-N 3.16Å; V14-V17 PolarHBondContact O-N 2.86Å; V14-A18 WeakPolarHBondContact O-CB 3.3Å; V14-A18 PolarHBondContact O-N 2.89Å
15F89.3Confident82.8Confident142 Ų142109 Ų10962%0.62354%0.544SS*.Hα-helixtrans-67-41.1178.8-149.9-83.9000111.8I11 L12 A18 C19I11-F15 WeakPolarHBondContact O-CB 3.42Å; I11-F15 PolarHBondContact O-N 2.95Å; L12-F15 PolarHBondContact O-N 3.09Å; F15-A18 PolarHBondContact O-N 2.89Å; F15-C19 WeakPolarHBondContact O-CB 3.46Å; F15-C19 PolarHBondContact O-N 2.95Å; F15-C19 PolarHBondContact O-SG 2.66Å; F15-C19 VanDerWaalsContact O-SG 3.35Å
16L90Very high83.1Confident105 Ų105104.7 Ų104.755%0.5554%0.535SS..Hα-helixtrans-61-44.4173.4-78.5166.5000112L12 M13 C19 T20L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.82Å; M13-L16 PolarHBondContact O-N 3.3Å; L16-C19 PolarHBondContact O-N 3.48Å; L16-T20 PolarHBondContact O-N 2.9Å; L16-T20 PolarHBondContact O-OG1 3Å
17V91.4Very high83.2Confident82 Ų82101.5 Ų101.550%0.49753%0.525SS..Hα-helixtrans-63.6-41.9176.3169.90000111.5M13 V14 T20 L21M13-V17 VanDerWaalsContact O-CG2 3.3Å; M13-V17 WeakPolarHBondContact O-CG2 3.48Å; M13-V17 PolarHBondContact O-N 2.68Å; V14-V17 PolarHBondContact O-N 2.86Å; V17-T20 PolarHBondContact O-N 3.47Å; V17-T20 PolarHBondContact O-OG1 3.15Å; V17-T20 VanDerWaalsContact O-OG1 3.08Å; V17-L21 HydrophobicContact CG1-CD1 4.44Å; V17-L21 WeakPolarHBondContact O-CB 3.26Å; V17-L21 PolarHBondContact O-N 2.95Å
18A88.3Confident82.7Confident44 Ų4499.6 Ų99.636%0.36452%0.52SS..Hα-helixtrans-62.7-43.8175.300000111.8V14 F15 L21 H22V14-A18 WeakPolarHBondContact O-CB 3.3Å; V14-A18 PolarHBondContact O-N 2.89Å; F15-A18 PolarHBondContact O-N 2.89Å; A18-L21 PolarHBondContact O-N 3.39Å; A18-H22 PolarHBondContact O-CD2 3.21Å; A18-H22 VanDerWaalsContact O-CD2 3.28Å; A18-H22 PolarHBondContact O-N 2.77Å
19C85.8Confident82Confident51 Ų5195 Ų9535%0.34551%0.512SS..Hα-helixtrans-62.1-44.5175.4-73.30000112.6F15 L16 H22 I23F15-C19 WeakPolarHBondContact O-CB 3.46Å; F15-C19 PolarHBondContact O-N 2.95Å; F15-C19 PolarHBondContact O-SG 2.66Å; F15-C19 VanDerWaalsContact O-SG 3.35Å; L16-C19 PolarHBondContact O-N 3.48Å; C19-H22 PolarHBondContact O-N 3.13Å; C19-I23 WeakPolarHBondContact O-CB 3.45Å; C19-I23 WeakPolarHBondContact O-CD1 3.32Å; C19-I23 WeakPolarHBondContact O-CG1 3.3Å; C19-I23 PolarHBondContact O-N 3.08Å
20T84.4Confident81Confident81 Ų8196.8 Ų96.850%0.49751%0.513SS..Hα-helixtrans-67-36.2177.755.40000112.2L16 V17 I23 M24L16-T20 PolarHBondContact O-N 2.9Å; L16-T20 PolarHBondContact O-OG1 3Å; V17-T20 PolarHBondContact O-N 3.47Å; V17-T20 PolarHBondContact O-OG1 3.15Å; V17-T20 VanDerWaalsContact O-OG1 3.08Å; T20-I23 PolarHBondContact O-N 3.5Å; T20-M24 VanDerWaalsContact O-CG 3.29Å; T20-M24 WeakPolarHBondContact O-CG 3.33Å; T20-M24 PolarHBondContact O-N 3.41Å
21L86.1Confident79.8Confident99 Ų9996.4 Ų96.452%0.51851%0.511SS..Hα-helixtrans-62-47.4174-113.8155.5000112.1V17 A18 M24 I25V17-L21 HydrophobicContact CG1-CD1 4.44Å; V17-L21 WeakPolarHBondContact O-CB 3.26Å; V17-L21 PolarHBondContact O-N 2.95Å; A18-L21 PolarHBondContact O-N 3.39Å; L21-M24 PolarHBondContact O-N 2.99Å; L21-I25 HydrophobicContact CD2-CD1 3.93Å; L21-I25 WeakPolarHBondContact O-CB 3.44Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.27Å
22H79.8Confident78.5Confident124 Ų12498.7 Ų98.757%0.57452%0.52SS*.Hα-helixtrans-61.2-45.1174.4-82.6-69.1000112.1A18 C19 M24 I25 D26A18-H22 PolarHBondContact O-CD2 3.21Å; A18-H22 VanDerWaalsContact O-CD2 3.28Å; A18-H22 PolarHBondContact O-N 2.77Å; C19-H22 PolarHBondContact O-N 3.13Å; H22-M24 VanDerWaalsContact C-N 3.3Å; H22-M24 PolarHBondContact O-N 2.6Å; H22-I25 PolarHBondContact O-N 3.08Å; H22-D26 PolarHBondContact O-N 3.24Å
23I82.9Confident77Confident98 Ų98102 Ų10250%0.50353%0.529SS..Hα-helixtrans-60.1-39.8177.3-71.1166.8000111.3C19 T20 L27C19-I23 WeakPolarHBondContact O-CB 3.45Å; C19-I23 WeakPolarHBondContact O-CD1 3.32Å; C19-I23 WeakPolarHBondContact O-CG1 3.3Å; C19-I23 PolarHBondContact O-N 3.08Å; T20-I23 PolarHBondContact O-N 3.5Å; I23-L27 HydrophobicContact CG2-CD1 3.67Å; I23-L27 VanDerWaalsContact O-CB 3.28Å; I23-L27 WeakPolarHBondContact O-CB 3.21Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.78Å; I23-L27 VanDerWaalsContact O-N 3.1Å
24M76.7Confident75.3Confident110 Ų110105.8 Ų105.854%0.54254%0.537SS..Hα-helixtrans-67.4-45.1174.7-70.3-134.570.400112.2T20 L21 H22 D26 L27 L28T20-M24 VanDerWaalsContact O-CG 3.29Å; T20-M24 WeakPolarHBondContact O-CG 3.33Å; T20-M24 PolarHBondContact O-N 3.41Å; L21-M24 PolarHBondContact O-N 2.99Å; H22-M24 VanDerWaalsContact C-N 3.3Å; H22-M24 PolarHBondContact O-N 2.6Å; M24-D26 VanDerWaalsContact C-N 3.29Å; M24-D26 PolarHBondContact O-N 3.05Å; M24-L27 PolarHBondContact O-N 3.01Å; M24-L28 HydrophobicContact CB-CD1 4.38Å; M24-L28 HydrophobicContact CE-CD1 4.31Å; M24-L28 HydrophobicContact CE-CD2 4.33Å; M24-L28 HydrophobicContact CE-CG 4.28Å; M24-L28 WeakPolarHBondContact O-CB 3.32Å; M24-L28 VanDerWaalsContact O-CG 3.26Å; M24-L28 WeakPolarHBondContact O-CG 3.06Å; M24-L28 PolarHBondContact O-N 3.16Å
25I81.6Confident73.4Confident100 Ų100105.2 Ų105.251%0.51354%0.542SS..Hα-helixtrans-61.5-36.4178.3-70.2165.1000111.5L21 H22 P29L21-I25 HydrophobicContact CD2-CD1 3.93Å; L21-I25 WeakPolarHBondContact O-CB 3.44Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.27Å; H22-I25 PolarHBondContact O-N 3.08Å; I25-P29 WeakPolarHBondContact O-CD 2.98Å; I25-P29 WeakPolarHBondContact O-CG 3.45Å
26D72.9Confident71.5Confident98 Ų98103 Ų10352%0.52455%0.551SS.*Hα-helixtrans-82.1-17178-84.9-32.4000114.6H22 M24 K30H22-D26 PolarHBondContact O-N 3.24Å; M24-D26 VanDerWaalsContact C-N 3.29Å; M24-D26 PolarHBondContact O-N 3.05Å; D26-K30 VanDerWaalsContact O-CD 3.25Å; D26-K30 WeakPolarHBondContact O-CD 3.46Å; D26-K30 VanDerWaalsContact O-CE 3.25Å; D26-K30 WeakPolarHBondContact O-CE 3.24Å; D26-K30 PolarHBondContact O-NZ 3.48Å
27L68.9Low69.5Low87 Ų87101.1 Ų101.146%0.45556%0.556SS.*Hα-helixtrans-100.2-36179.9-74.6173.3000113.5I23 M24 K30 L31I23-L27 HydrophobicContact CG2-CD1 3.67Å; I23-L27 VanDerWaalsContact O-CB 3.28Å; I23-L27 WeakPolarHBondContact O-CB 3.21Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.78Å; I23-L27 VanDerWaalsContact O-N 3.1Å; M24-L27 PolarHBondContact O-N 3.01Å; L27-K30 CarbonylContact O-C 3.51Å; L27-K30 WeakPolarHBondContact O-CA 3.28Å; L27-K30 WeakPolarHBondContact O-CB 3.38Å; L27-K30 PolarHBondContact O-N 2.64Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 3.4Å
28L64.8Low67.1Low87 Ų87101 Ų10146%0.45556%0.563SS.*Hα-helixtrans-54.1-48.8-179.7-76.1164.3000112.5M24 K30 L31 E32M24-L28 HydrophobicContact CB-CD1 4.38Å; M24-L28 HydrophobicContact CE-CD1 4.31Å; M24-L28 HydrophobicContact CE-CD2 4.33Å; M24-L28 HydrophobicContact CE-CG 4.28Å; M24-L28 WeakPolarHBondContact O-CB 3.32Å; M24-L28 VanDerWaalsContact O-CG 3.26Å; M24-L28 WeakPolarHBondContact O-CG 3.06Å; M24-L28 PolarHBondContact O-N 3.16Å; L28-K30 PolarHBondContact O-N 2.76Å; L28-K30 VanDerWaalsContact O-N 3.16Å; L28-L31 PolarHBondContact O-N 2.91Å; L28-L31 VanDerWaalsContact O-N 3.12Å; L28-E32 PolarHBondContact O-N 2.78Å
29P61.6Low64.6Low75 Ų75107.2 Ų107.249%0.48759%0.591SS.*Hα-helixtrans-66.5-18.5177.5-20.433.5000114.1I25 K33I25-P29 WeakPolarHBondContact O-CD 2.98Å; I25-P29 WeakPolarHBondContact O-CG 3.45Å; P29-K33 WeakPolarHBondContact O-CB 3.2Å; P29-K33 PolarHBondContact O-N 3.08Å
30K60.1Low62Low125 Ų125108.7 Ų108.754%0.54361%0.614SS.*Hα-helixtrans-88.3-26.6176.6-63.5175.2-173.4132.70111.9D26 L27 L28 R34D26-K30 VanDerWaalsContact O-CD 3.25Å; D26-K30 WeakPolarHBondContact O-CD 3.46Å; D26-K30 VanDerWaalsContact O-CE 3.25Å; D26-K30 WeakPolarHBondContact O-CE 3.24Å; D26-K30 PolarHBondContact O-NZ 3.48Å; L27-K30 CarbonylContact O-C 3.51Å; L27-K30 WeakPolarHBondContact O-CA 3.28Å; L27-K30 WeakPolarHBondContact O-CB 3.38Å; L27-K30 PolarHBondContact O-N 2.64Å; L28-K30 PolarHBondContact O-N 2.76Å; L28-K30 VanDerWaalsContact O-N 3.16Å; K30-R34 PolarHBondContact O-N 3.02Å
31L60.3Low59.7Low104 Ų104113.9 Ų113.955%0.54563%0.633SS.*Hα-helixtrans-79.9-43.3174-69.5171000111.3L27 L28 K33 R34 A35L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 3.4Å; L28-L31 PolarHBondContact O-N 2.91Å; L28-L31 VanDerWaalsContact O-N 3.12Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 3.48Å; L31-R34 PolarHBondContact O-N 2.65Å; L31-A35 PolarHBondContact O-N 3.25Å
32E59.8Low57.1Low139 Ų139118.5 Ų118.565%0.6565%0.652SS**Hα-helixtrans-55.7-43.6169.9-78.1-175127.700111.4L28 R34 A35 A36L28-E32 PolarHBondContact O-N 2.78Å; E32-R34 PolarHBondContact O-N 2.84Å; E32-A35 PolarHBondContact O-N 3.44Å; E32-A36 WeakPolarHBondContact O-CB 3.43Å; E32-A36 PolarHBondContact O-N 3.22Å
33K53.5Low54.8Low179 Ų179116.6 Ų116.678%0.77867%0.666SS**Hα-helixtrans-66.6-13.6176.7-118.2-176.4177.3-174.10115.4P29 L31P29-K33 WeakPolarHBondContact O-CB 3.2Å; P29-K33 PolarHBondContact O-N 3.08Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 3.48Å
34R52.8Low52.3Low196 Ų196115.8 Ų115.874%0.7468%0.681SS**Hα-helixtrans-94.4-40.7170.8-87.1-178.2163.8169.2-5111.7K30 L31 E32 A36 G37K30-R34 PolarHBondContact O-N 3.02Å; L31-R34 PolarHBondContact O-N 2.65Å; E32-R34 PolarHBondContact O-N 2.84Å; R34-A36 VanDerWaalsContact C-N 3.32Å; R34-A36 PolarHBondContact O-N 3.31Å; R34-G37 PolarHBondContact O-N 3.4Å; R34-G37 VanDerWaalsContact O-N 3.16Å
35A50.7Low49.9Very low83 Ų83116.1 Ų116.169%0.68669%0.693SS**Hα-helixtrans-62.4-38.8175.200000112.1L31 E32 G37L31-A35 PolarHBondContact O-N 3.25Å; E32-A35 PolarHBondContact O-N 3.44Å; A35-G37 PolarHBondContact O-N 3.28Å
36A49.6Very low47.4Very low97 Ų97119.7 Ų119.780%0.80271%0.708SS**THydrogen-bonded Turntrans-81.414.9175.700000114.3E32 R34E32-A36 WeakPolarHBondContact O-CB 3.43Å; E32-A36 PolarHBondContact O-N 3.22Å; R34-A36 VanDerWaalsContact C-N 3.32Å; R34-A36 PolarHBondContact O-N 3.31Å
37G48.2Very low45.2Very low64 Ų64120.4 Ų120.466%0.6672%0.719SS**THydrogen-bonded Turntrans-143.121.9-17400000114.5R34 A35R34-G37 PolarHBondContact O-N 3.4Å; R34-G37 VanDerWaalsContact O-N 3.16Å; A35-G37 PolarHBondContact O-N 3.28Å
38A40Very low43.4Very low79 Ų79120.9 Ų120.965%0.65374%0.736SS**  trans-144.571.6-175.600000112.1
39D36.3Very low41.7Very low176 Ų176126 Ų12694%0.94176%0.758SS**SBendtrans-146120.1159.6-105.7-34.7000107.8
40G31.7Very low39.9Very low81 Ų81131.1 Ų131.184%0.83577%0.774SS**  trans103.977.7177.600000116.4
41E34.5Very low39.4Very low191 Ų191130.1 Ų130.189%0.89378%0.781SS**  trans-84.4143.4156.5-68.3-175.2107.700110.5
42E33.2Very low37.8Very low196 Ų196129.8 Ų129.892%0.91679%0.793SS**  161.7140.6119.1-86.5-158.1132.800113.1
43G31.6Very low36.1Very low84 Ų84133.6 Ų133.687%0.86680%0.801SS**  trans87.4118.9145.200000120.9
44G29.2Very low34.9Very low80 Ų80130.9 Ų130.983%0.82580%0.795SS**  trans106.799.3131.200000120.4
45C27Very low33.7Very low118 Ų118126.6 Ų126.680%0.79780%0.796SS**  trans0140.6144.6-77.50000123
46Q29.1Very low32.8Very low175 Ų175132.1 Ų132.182%0.81881%0.807SS**  trans87.8121.4140.7-71.7176.840.100122.5
47C27.3Very low31.7Very low113 Ų113131.3 Ų131.376%0.76481%0.808SS**  trans60.4100.9130.8-600000122.9
48A29.8Very low30.7Very low97 Ų97141 Ų14180%0.80283%0.825SS**  82.9156.9123.500000122.1
49Q28.6Very low30.1Very low195 Ų195140.6 Ų140.691%0.91183%0.829SS**  trans84129.9168.1-56.4-167.6-300120.2
50H25.7Very low29.8Very low181 Ų181142.2 Ų142.284%0.83883%0.827SS**  trans-75.2179.3160.7-96.8-79.3000110.9
51P48.1Very low29.5Very low105 Ų105147.4 Ų147.468%0.68283%0.83SS**  cis-136.2178.9-17.934.3-15.4000114.6
52A26.7Very low29.1Very low96 Ų96150.4 Ų150.479%0.79383%0.833SS**  trans58.6140.4150.200000119.2
53R25.2Very low28.9Very low219 Ų219145.5 Ų145.583%0.82683%0.826SS**  178.5156.762-177.4170.8-178.2179.71.2112.2
54D27.2Very low28.6Very low122 Ų122153 Ų15365%0.65283%0.828SS**  trans-10.8141.2164.2-25-44.5000120.5
55S28.3Very low28.5Very low107 Ų107154.8 Ų154.875%0.74883%0.828SS**  -171.5135.5110.529.90000115.4
56Q30.8Very low28.7Very low199 Ų199154.4 Ų154.493%0.9383%0.833SS**  trans26.5137.6136.6-55168.50.500118.9
57G27.5Very low28.9Very low79 Ų79150.6 Ų150.681%0.81483%0.832SS**  cis162.3-172.620.500000107
58W26.7Very low28.9Very low267 Ų267154.6 Ų154.6100%1.01184%0.839SS**  cis-167132.22.8-162.82.4000106.8
59G27.3Very low28.8Very low72 Ų72154.9 Ų154.974%0.74284%0.841SS**  trans-146.47.7-156.700000123
60K30.5Very low28.8Very low209 Ų209149.1 Ų149.191%0.90984%0.835SS**  trans66165.9178.9-67-177177.6175.80117.5
61Q26.1Very low29.1Very low190 Ų190151.9 Ų151.989%0.88884%0.838SS**  trans-120.1152.5-162.1-54.6154.5-72.600113.4
62R26.2Very low28.5Very low255 Ų255151.2 Ų151.296%0.96283%0.834SS**  trans-154.1152133.4-117.8176.2-179.7178-0.1109.3
63A27.4Very low29.1Very low93 Ų93152.4 Ų152.477%0.76983%0.827SS**  trans-127.2141.5-167.200000113
64R26.4Very low29.6Very low241 Ų241150.3 Ų150.391%0.90982%0.824SS**  trans-176.5165.9135.8-106171.4-178.1-166.4-1112.6
65S26.4Very low29.9Very low117 Ų117151 Ų15182%0.81882%0.823SS**  trans57.8116.3169.443.10000117.8
66A31.8Very low30.5Very low110 Ų110149.4 Ų149.491%0.90981%0.809SS**  trans-99.4110.7166.700000109.5
67A32.1Very low30.7Very low95 Ų95143.6 Ų143.679%0.78578%0.784SS**  trans-163.565.517400000111.8
68E28Very low31.1Very low197 Ų197148.1 Ų148.192%0.92178%0.776SS**  trans-168120157-115.9170.1-164.700110.1
69A28.7Very low31.8Very low103 Ų103140.6 Ų140.685%0.85175%0.754SS**  trans-134108178.200000110.2
70G28.4Very low32.1Very low75 Ų75142.9 Ų142.977%0.77375%0.749SS**  trans53.686.4158.900000118.1
71W31Very low32.4Very low238 Ų238139.6 Ų139.690%0.90274%0.737SS**PPolyproline II helixtrans-62135.1154.3-88.638.2000110.2
72P36.2Very low32.6Very low92 Ų92135.7 Ų135.760%0.59772%0.722SS**PPolyproline II helixtrans-59.9154.8175.3-26.635.9000113.9
73N39.5Very low33Very low120 Ų120132.4 Ų132.464%0.64272%0.715SS**PPolyproline II helixtrans-64141.9-172.9-165-11.8000112.3H75 T76N73-H75 PolarHBondContact O-N 3.21Å; N73-T76 WeakPolarHBondContact O-CB 3.47Å; N73-T76 PolarHBondContact O-N 2.93Å; N73-T76 PolarHBondContact O-OG1 3.21Å
74K35.1Very low33.1Very low176 Ų176132.8 Ų132.877%0.76571%0.712SS**Hα-helixtrans-58-21.6-176.9-71.3-175.4176.8179.50113.9R78K74-R78 PolarHBondContact O-N 3.08Å
75H33.4Very low33.2Very low136 Ų136128.6 Ų128.663%0.6371%0.708SS**Hα-helixtrans-70.9-33176-150.1-50.1000113N73 I79N73-H75 PolarHBondContact O-N 3.21Å; H75-I79 WeakPolarHBondContact O-CG1 3.42Å; H75-I79 PolarHBondContact O-N 2.93Å
76T40.5Very low33.3Very low74 Ų74131.9 Ų131.945%0.45471%0.71SS.*Hα-helixtrans-70.2-39.6177.1-46.10000111N73 I79 L80N73-T76 WeakPolarHBondContact O-CB 3.47Å; N73-T76 PolarHBondContact O-N 2.93Å; N73-T76 PolarHBondContact O-OG1 3.21Å; T76-I79 PolarHBondContact O-N 3.09Å; T76-L80 HydrophobicContact CG2-CD1 4.49Å; T76-L80 PolarHBondContact O-N 3.15Å
77L36.3Very low33.3Very low77 Ų77131.2 Ų131.240%0.40370%0.697SS.*Hα-helixtrans-65.3-38.9178.5-68.1172.8000112.7L80 Q81L77-L80 PolarHBondContact O-N 2.86Å; L77-Q81 WeakPolarHBondContact O-CG 3.44Å; L77-Q81 PolarHBondContact O-N 3.03Å; L77-Q81 VanDerWaalsContact O-N 3.13Å
78R35.5Very low33.2Very low173 Ų173131.6 Ų131.665%0.65369%0.693SS**Hα-helixtrans-61.7-46.6174.8-90.1-174.3170.8167.4-3.8113K74 L80 Q81 D82K74-R78 PolarHBondContact O-N 3.08Å; R78-L80 PolarHBondContact O-N 3.47Å; R78-L80 VanDerWaalsContact O-N 3.11Å; R78-Q81 PolarHBondContact O-N 2.94Å; R78-D82 WeakPolarHBondContact O-CB 3.32Å; R78-D82 PolarHBondContact O-N 2.82Å
79I40.1Very low33.2Very low109 Ų109127.3 Ų127.356%0.55969%0.686SS**Hα-helixtrans-60-25.8178.8-65.7168.3000111.9H75 T76H75-I79 WeakPolarHBondContact O-CG1 3.42Å; H75-I79 PolarHBondContact O-N 2.93Å; T76-I79 PolarHBondContact O-N 3.09Å
80L35.4Very low33.3Very low121 Ų121129.7 Ų129.763%0.63468%0.684SS**Hα-helixtrans-89-16.2175.8-68.8170.1000114.7T76 L77 R78T76-L80 HydrophobicContact CG2-CD1 4.49Å; T76-L80 PolarHBondContact O-N 3.15Å; L77-L80 PolarHBondContact O-N 2.86Å; R78-L80 PolarHBondContact O-N 3.47Å; R78-L80 VanDerWaalsContact O-N 3.11Å
81Q36.6Very low33.3Very low139 Ų139133.8 Ų133.865%0.6569%0.687SS**Hα-helixtrans-103.1-34.3-179.5-69.6-173.1-67.300113.5L77 R78 F83 S84L77-Q81 WeakPolarHBondContact O-CG 3.44Å; L77-Q81 PolarHBondContact O-N 3.03Å; L77-Q81 VanDerWaalsContact O-N 3.13Å; R78-Q81 PolarHBondContact O-N 2.94Å; Q81-F83 PolarHBondContact O-N 3.14Å; Q81-S84 PolarHBondContact O-N 2.98Å
82D29.6Very low33.1Very low108 Ų108128.6 Ų128.658%0.57868%0.682SS**THydrogen-bonded Turntrans-76.222.2-169.9-65.2-27.9000114.7R78R78-D82 WeakPolarHBondContact O-CB 3.32Å; R78-D82 PolarHBondContact O-N 2.82Å
83F34.8Very low32.7Very low186 Ų186129.7 Ų129.782%0.81669%0.692SS**THydrogen-bonded Turntrans-132.910.4175.1-75.5-71.5000115Q81Q81-F83 PolarHBondContact O-N 3.14Å
84S29.7Very low32.1Very low101 Ų101132.7 Ų132.771%0.70670%0.702SS**SBendtrans-88.32.3176.2-71.40000114.9Q81Q81-S84 PolarHBondContact O-N 2.98Å
85N27.3Very low31.7Very low153 Ų153130 Ų13082%0.81871%0.705SS**  trans-149.1122.2173-80.9-60.5000111
86E29.2Very low31.4Very low186 Ų186131.6 Ų131.687%0.86972%0.718SS**  trans-165.6149.8148.9-104.5-75.810200107.6
87P31.4Very low30.7Very low96 Ų96137.2 Ų137.262%0.62374%0.739SS**  trans-102.5-174.3-160.740-36.5000115.3S89P87-S89 PolarHBondContact O-N 2.9Å
88S30Very low30.2Very low103 Ų103143.3 Ų143.372%0.7276%0.762SS**  trans-48.6117.7179.153.90000115.3N90S88-N90 PolarHBondContact O-N 3.48Å
89S29.4Very low29.7Very low108 Ų108140.6 Ų140.676%0.75577%0.769SS**  trans-81.393.9169.862.30000112P87 L91P87-S89 PolarHBondContact O-N 2.9Å; S89-L91 PolarHBondContact O-N 3.42Å
90N30.3Very low29Very low152 Ų152140.2 Ų140.281%0.81378%0.783SS**  trans-69.7111.3167.4-81.1-26.8000110.3S88S88-N90 PolarHBondContact O-N 3.48Å
91L28Very low28.6Very low161 Ų161139.5 Ų139.584%0.84379%0.794SS**  trans-135.1101.2168.1-78.1176.6000111.2S89 S93S89-L91 PolarHBondContact O-N 3.42Å; L91-S93 PolarHBondContact O-N 3.11Å
92T26.5Very low28.1Very low129 Ų129136.5 Ų136.579%0.79180%0.801SS**  trans-75.2113.8170.847.70000110.9
93S28.7Very low28.1Very low116 Ų116138.3 Ų138.381%0.81182%0.815SS**  trans-94.897169.757.60000111L91 S95L91-S93 PolarHBondContact O-N 3.11Å; S93-S95 PolarHBondContact O-N 3.38Å
94H25.7Very low27.8Very low182 Ų182135.2 Ų135.284%0.84381%0.807SS**  trans-65.7130161.4-74.4-91000109.1
95S26.9Very low27.9Very low120 Ų120140.5 Ų140.584%0.83981%0.812SS**  trans-119.8138.5161.9-166.90000108.2S93S93-S95 PolarHBondContact O-N 3.38Å
96L27Very low27.9Very low170 Ų170138.2 Ų138.289%0.8981%0.814SS**  trans-86.9131.4-173.2-76.7159.1000110.9
97E26.3Very low27.9Very low192 Ų192133.2 Ų133.290%0.89781%0.812SS**  trans-63.8136.9160.6-61.4-176128.900109.9
98K26.1Very low27.7Very low205 Ų205135.8 Ų135.889%0.89182%0.821SS**  trans-145.9113148.1-166.9163.4-175.7174.80111.3
99S24.8Very low27.7Very low115 Ų115134.9 Ų134.980%0.80481%0.814SS**  trans-81.7154.2176.545.10000112.4
100A25.8Very low27.8Very low102 Ų102141.2 Ų141.284%0.84382%0.822SS**  trans-150.2135.4163.700000108.5
101A25.7Very low27.7Very low105 Ų105137.4 Ų137.487%0.86882%0.818SS**  trans-152.4148.8-17600000112.6
102G27.7Very low27.8Very low77 Ų77141.3 Ų141.379%0.79482%0.821SS**  trans81.5165.1-17900000114.1
103V28.8Very low28Very low146 Ų146141.5 Ų141.589%0.88582%0.823SS**  cis-160145.55.8168.70000106.4
104D29.5Very low27.9Very low120 Ų120139 Ų13964%0.64282%0.816SS**  cis-169.6170.4-17.2179.325.2000108.2
105R30.2Very low28.7Very low213 Ų213136.5 Ų136.580%0.80482%0.815SS**  trans75.2114.6155.6-82.3160.6-156.8-153.2-2.8125.2
106A28.4Very low28.8Very low105 Ų105136.3 Ų136.387%0.86881%0.814SS**  92.7147.9105.800000123.8
107G27.9Very low28.9Very low81 Ų81132.8 Ų132.884%0.83581%0.809SS**  trans101139170.900000114.3
108D27.7Very low29.1Very low149 Ų149132 Ų13280%0.79780%0.803SS**  cis-150.4-169.2-16.7-174.116.7000108.6
109S29.7Very low29.4Very low84 Ų84129.8 Ų129.859%0.58780%0.796SS**  trans-114.9171.8-153.758.30000115.3
110R32.2Very low29.6Very low242 Ų242136.2 Ų136.291%0.91380%0.802SS**  trans123.2131.6163.5-67.6155.5-169.6-160.43.5112.8
111G28.3Very low29.9Very low71 Ų71140.2 Ų140.273%0.73280%0.801SS**  cis148.7123.9-1800000115.4
112R29.8Very low30.2Very low243 Ų243141.3 Ų141.392%0.91780%0.799SS**  trans63.5154.4167.6-68.6179.5170170.2-3.6115.8
113T30Very low30.4Very low134 Ų134145.2 Ų145.282%0.82280%0.801SS**  cis-152.1165.66.3-11.60000110.7
114G28.1Very low30.6Very low64 Ų64146.5 Ų146.566%0.6680%0.801SS**  trans-80.5-165.8164.500000113.4
115P41.2Very low30.4Very low128 Ų128143.7 Ų143.783%0.83180%0.8SS**  cis-144.8172.829.743-23.8000119.3
116S30.6Very low30.4Very low116 Ų116141.2 Ų141.281%0.81180%0.803SS**  trans-1.2129.7155.7-168.50000123.1
117A29.1Very low30.3Very low96 Ų96140.3 Ų140.379%0.79380%0.796SS**  trans-154.9115.8139.200000108.9
118K29.8Very low30.7Very low175 Ų175141.6 Ų141.676%0.76179%0.792SS**  64.8107.686.4-92.2-162.5170.2-168.40117.7
119E31.7Very low30.9Very low159 Ų159140 Ų14074%0.74379%0.787SS**  trans28.2128.2139.7-57.2173.8102.200121.2
120R28.7Very low31.2Very low250 Ų250139 Ų13994%0.94379%0.791SS**  -163.9127.9126.8-106.7153.5-169-143.4-0.6113.4
121K32.8Very low31.1Very low187 Ų187138.2 Ų138.281%0.81379%0.788SS**  trans-85153.6158.7-65.6178177.8177.90109.5
122P32.6Very low31.6Very low127 Ų127141.2 Ų141.283%0.82579%0.792SS**  trans-96.7148.6143.9-5.525.3000110.6
123L31Very low31.8Very low160 Ų160133.9 Ų133.984%0.83878%0.783SS**  trans-120.4116.2173.7-100.1162.1000109.5
124I33Very low32.2Very low172 Ų172132.3 Ų132.388%0.88278%0.778SS**  trans-145.3137.7159.7-57.6179.9000103.4
125G26.1Very low32.6Very low61 Ų61133.7 Ų133.763%0.62978%0.783SS**  cis151.4144.97.200000106.5A127G125-A127 PolarHBondContact O-N 2.66Å
126D28.9Very low32.6Very low161 Ų161136 Ų13686%0.86178%0.783SS**  trans-55.9128.8-160.6-90-70.3000116
127A26.9Very low33.8Very low87 Ų87135 Ų13572%0.71978%0.781SS**  trans-143.462.5160.900000108.5G125 V129G125-A127 PolarHBondContact O-N 2.66Å; A127-V129 PolarHBondContact O-N 3.23Å
128S35.5Very low35.8Very low107 Ų107137.9 Ų137.975%0.74878%0.783SS**  trans-71.155.2177.745.50000112.3G130S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 3.11Å
129V32.1Very low38.8Very low115 Ų115131.4 Ų131.470%0.69776%0.759SS**  trans-67.590.9169.8-178.10000107.8A127 R131A127-V129 PolarHBondContact O-N 3.23Å; V129-R131 HydrophobicContact CG1-CG 4.44Å; V129-R131 PolarHBondContact O-N 2.74Å
130G36.2Very low41.8Very low65 Ų65128.2 Ų128.267%0.6774%0.741SS**  trans-63.479.9174.600000111.2S128 T132S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 3.11Å; G130-T132 PolarHBondContact O-N 2.72Å
131R31.6Very low44.9Very low225 Ų225116.4 Ų116.485%0.84970%0.696SS**  trans-70.281.8158.9-76.9-171.8174.7-176.9-1.2108V129 A133V129-R131 HydrophobicContact CG1-CG 4.44Å; V129-R131 PolarHBondContact O-N 2.74Å; R131-A133 PolarHBondContact O-N 3.24Å
132T37.7Very low47.9Very low134 Ų134110.7 Ų110.782%0.82268%0.68SS**  trans-55.985.4139.948.70000106.6G130 S134G130-T132 PolarHBondContact O-N 2.72Å; T132-S134 PolarHBondContact O-N 3.09Å
133A35Very low50.9Low89 Ų89106.5 Ų106.574%0.73666%0.656SS**PPolyproline II helixtrans-55.1135.1172.700000107.6R131 A135R131-A133 PolarHBondContact O-N 3.24Å; A133-A135 PolarHBondContact O-N 2.75Å
134S36.9Very low54.1Low101 Ų10198.9 Ų98.971%0.70662%0.616SS**PPolyproline II helixtrans-49.9138.6-169.249.10000112.2T132 Q136T132-S134 PolarHBondContact O-N 3.09Å; S134-Q136 PolarHBondContact O-N 3.22Å
135A37.6Very low57.1Low92 Ų9292.2 Ų92.276%0.7658%0.581SS**SBendtrans-50.3135.9168.700000110A133A133-A135 PolarHBondContact O-N 2.75Å
136Q40.5Very low60.4Low177 Ų17794.6 Ų94.683%0.82758%0.575SS**  trans55.178175.9-64.1170-35.200114.6S134 L138S134-Q136 PolarHBondContact O-N 3.22Å; Q136-L138 PolarHBondContact O-N 3.06Å
137A56.8Low63.7Low95 Ų9589.1 Ų89.179%0.78554%0.544SS*.PPolyproline II helixtrans-57.1118.4144.900000107.8S139A137-S139 PolarHBondContact O-N 3.05Å
138L70.8Confident67Low157 Ų15789.4 Ų89.482%0.82254%0.539SS*.PPolyproline II helixtrans-62.8127.7-178-74.4162.8000110.1Q136 R140Q136-L138 PolarHBondContact O-N 3.06Å; L138-R140 PolarHBondContact O-N 2.99Å
139S91.8Very high69.9Low39 Ų3985.6 Ų85.627%0.27351%0.51SS..PPolyproline II helixtrans-55.8121.3173.7163.50000109.9A137 L141 S142 A143 E509A137-S139 PolarHBondContact O-N 3.05Å; S139-L141 VanDerWaalsContact C-N 3.29Å; S139-S142 PolarHBondContact O-N 2.92Å; S139-S142 VanDerWaalsContact OG-CB 3.31Å; S139-S142 WeakPolarHBondContact OG-CB 3.12Å; S139-S142 PolarHBondContact OG-N 3.47Å; S139-A143 PolarHBondContact O-N 3.38Å; S139-E509 WeakPolarHBondContact CA-OE1 3.37Å; S139-E509 WeakPolarHBondContact CB-OE1 3.46Å; S139-E509 PolarHBondContact OG-OE1 3.16Å
140R94.4Very high73Confident92 Ų9280.1 Ų80.135%0.34748%0.477SS..Hα-helixtrans-66.8-38.6178.3-69.7-177.1172.3-161.1-14.6109.7L138 A143 L144 S505 L506 E509L138-R140 PolarHBondContact O-N 2.99Å; R140-A143 PolarHBondContact O-N 2.95Å; R140-L144 PolarHBondContact O-N 3.35Å; R140-S505 PolarHBondContact NH1-OG 2.93Å; R140-L506 VanDerWaalsContact C-CD2 3.42Å; R140-L506 HydrophobicContact CB-CD2 3.83Å; R140-L506 WeakPolarHBondContact O-CD2 3.33Å; R140-E509 WeakPolarHBondContact CB-OE2 3.4Å; R140-E509 PolarHBondContact N-OE2 3.42Å
141L95.4Very high75.8Confident2 Ų281.7 Ų81.71%0.0147%0.465CS..Hα-helixtrans-63.6-38.4175.4-170.865.5000112.5S139 L144 F145 I302 L506 E509S139-L141 VanDerWaalsContact C-N 3.29Å; L141-L144 WeakPolarHBondContact O-CB 3.3Å; L141-F145 HydrophobicContact CD1-CD2 4.45Å; L141-F145 HydrophobicContact CD1-CE2 3.67Å; L141-F145 HydrophobicContact CD1-CZ 4.29Å; L141-F145 HydrophobicContact CG-CD2 4.35Å; L141-F145 HydrophobicContact CG-CE2 3.86Å; L141-F145 WeakPolarHBondContact O-CD2 3.49Å; L141-F145 PolarHBondContact O-N 3.36Å; L141-I302 HydrophobicContact CD1-CD1 4.2Å; L141-I302 HydrophobicContact CD1-CG1 4.07Å; L141-L506 HydrophobicContact CB-CD2 4.41Å; L141-L506 HydrophobicContact CD1-CD2 4.45Å; L141-E509 HydrophobicContact CB-CB 4.46Å; L141-E509 HydrophobicContact CB-CG 4.16Å; L141-E509 PolarHBondContact N-OE2 2.56Å
142S95.2Very high78.6Confident67 Ų6773 Ų7347%0.46944%0.437SS..Hα-helixtrans-66.4-47.1172.5-1640000111.1S139 L144 F145 E146S139-S142 PolarHBondContact O-N 2.92Å; S139-S142 VanDerWaalsContact OG-CB 3.31Å; S139-S142 WeakPolarHBondContact OG-CB 3.12Å; S139-S142 PolarHBondContact OG-N 3.47Å; S142-L144 PolarHBondContact O-N 3.45Å; S142-F145 PolarHBondContact O-N 2.87Å; S142-F145 VanDerWaalsContact O-N 3.15Å; S142-E146 WeakPolarHBondContact O-CG 3.33Å; S142-E146 PolarHBondContact O-N 2.86Å
143A96.5Very high81.1Confident39 Ų3973.4 Ų73.432%0.32243%0.434SS..Hα-helixtrans-58.9-34.5177.100000112.9S139 R140 E146 H147 Y501S139-A143 PolarHBondContact O-N 3.38Å; R140-A143 PolarHBondContact O-N 2.95Å; A143-E146 PolarHBondContact O-N 2.88Å; A143-H147 PolarHBondContact O-N 2.73Å; A143-Y501 HydrophobicContact CB-CE1 4.35Å
144L97.2Very high83.7Confident0 Ų072.1 Ų72.10%042%0.415CS..Hα-helixtrans-59.7-53.1173-175.178.2000111.6R140 L141 S142 E146 H147 Y150 I302 L495 L496 Y501 L506R140-L144 PolarHBondContact O-N 3.35Å; L141-L144 WeakPolarHBondContact O-CB 3.3Å; S142-L144 PolarHBondContact O-N 3.45Å; L144-E146 PolarHBondContact O-N 2.69Å; L144-H147 WeakPolarHBondContact O-CB 2.94Å; L144-H147 PolarHBondContact O-N 3.34Å; L144-H147 VanDerWaalsContact O-N 3.08Å; L144-Y150 HydrophobicContact CD1-CD2 4.36Å; L144-Y150 HydrophobicContact CD1-CE2 3.6Å; L144-Y150 HydrophobicContact CD2-CE1 4.01Å; L144-Y150 HydrophobicContact CD2-CE2 4.47Å; L144-Y150 HydrophobicContact CG-CD2 4.2Å; L144-Y150 HydrophobicContact CG-CE1 4.1Å; L144-Y150 HydrophobicContact CG-CE2 3.77Å; L144-Y150 WeakPolarHBondContact O-CD2 3.39Å; L144-I302 HydrophobicContact CD2-CG2 4.06Å; L144-L495 HydrophobicContact CD1-CD2 3.95Å; L144-L496 HydrophobicContact CD1-CD2 3.84Å; L144-L496 HydrophobicContact CD2-CD2 4.47Å; L144-Y501 HydrophobicContact CB-CD1 4.25Å; L144-Y501 HydrophobicContact CD1-CD1 3.8Å; L144-Y501 HydrophobicContact CD1-CG 4.47Å; L144-L506 HydrophobicContact CB-CD2 4.09Å; L144-L506 HydrophobicContact CD1-CD1 3.92Å; L144-L506 HydrophobicContact CD2-CD1 4.03Å; L144-L506 HydrophobicContact CD2-CD2 4.4Å; L144-L506 HydrophobicContact CG-CD1 4.41Å
145F96.1Very high86.3Confident32 Ų3270 Ų7014%0.1440%0.399CS..Hα-helixtrans-70.9-21.5-179.1-65.3-59.3000113L141 S142 H147 Y150 R223 R301L141-F145 HydrophobicContact CD1-CD2 4.45Å; L141-F145 HydrophobicContact CD1-CE2 3.67Å; L141-F145 HydrophobicContact CD1-CZ 4.29Å; L141-F145 HydrophobicContact CG-CD2 4.35Å; L141-F145 HydrophobicContact CG-CE2 3.86Å; L141-F145 WeakPolarHBondContact O-CD2 3.49Å; L141-F145 PolarHBondContact O-N 3.36Å; S142-F145 PolarHBondContact O-N 2.87Å; S142-F145 VanDerWaalsContact O-N 3.15Å; F145-H147 VanDerWaalsContact C-N 3.31Å; F145-Y150 AromaticContact CD1-CD1 3.76Å; F145-Y150 HydrophobicContact CD1-CD1 3.76Å; F145-Y150 HydrophobicContact CD1-CE1 4.46Å; F145-Y150 HydrophobicContact CD1-CG 4.3Å; F145-Y150 AromaticContact CE1-CD1 3.97Å; F145-Y150 HydrophobicContact CE1-CD1 3.97Å; F145-Y150 HydrophobicContact CE1-CE1 4.31Å; F145-R223 HydrophobicContact CD1-CG 4.26Å; F145-R301 HydrophobicContact CZ-CG 4.28Å
146E96.3Very high88.9Confident110 Ų11071.5 Ų71.551%0.51440%0.401SS..Hα-helixtrans-75-16.4170.1-73.1-59.4126.200114S142 A143 L144 K151S142-E146 WeakPolarHBondContact O-CG 3.33Å; S142-E146 PolarHBondContact O-N 2.86Å; A143-E146 PolarHBondContact O-N 2.88Å; L144-E146 PolarHBondContact O-N 2.69Å; E146-K151 VanDerWaalsContact O-CE 3.3Å; E146-K151 WeakPolarHBondContact O-CE 3.33Å; E146-K151 PolarHBondContact O-NZ 3Å; E146-K151 IonicContact OE1-NZ 3.45Å; E146-K151 IonicContact OE2-NZ 2.72Å; E146-K151 PolarHBondContact OE2-NZ 2.7Å
147H97.2Very high91.4Very high46 Ų4667 Ų6721%0.21338%0.382CS..SBendtrans-72.5142.1-178.6-173.3-94.9000112.1A143 L144 F145 L149 Y150 L495 Y501A143-H147 PolarHBondContact O-N 2.73Å; L144-H147 WeakPolarHBondContact O-CB 2.94Å; L144-H147 PolarHBondContact O-N 3.34Å; L144-H147 VanDerWaalsContact O-N 3.08Å; F145-H147 VanDerWaalsContact C-N 3.31Å; H147-L149 VanDerWaalsContact C-N 3.26Å; H147-L149 PolarHBondContact ND1-N 2.79Å; H147-L149 PolarHBondContact O-N 2.9Å; H147-Y150 HydrophobicContact CB-CD2 4.38Å; H147-Y150 WeakPolarHBondContact O-CA 3.49Å; H147-Y150 PolarHBondContact O-N 2.85Å; H147-L495 HydrophobicContact CB-CD2 4.41Å; H147-L495 WeakPolarHBondContact ND1-CD2 3.49Å; H147-Y501 HydrophobicContact CB-CE1 4.49Å
148P96.6Very high93.1Very high94 Ų9466 Ų6661%0.6137%0.366SS*.G310 helixtrans-53.7-31.5-174.3-3137000116.6Y150 K151 V152P148-Y150 PolarHBondContact O-N 3.29Å; P148-Y150 VanDerWaalsContact O-N 3.15Å; P148-K151 CarbonylContact O-C 3.21Å; P148-K151 PolarHBondContact O-N 3.27Å; P148-V152 PolarHBondContact O-N 2.96Å
149L96.4Very high94.1Very high27 Ų2763.2 Ų63.214%0.14135%0.352CS..G310 helixtrans-65.6-12.4175.4-62.9174.3000114.4H147 L491 R492 L495H147-L149 VanDerWaalsContact C-N 3.26Å; H147-L149 PolarHBondContact ND1-N 2.79Å; H147-L149 PolarHBondContact O-N 2.9Å; L149-L491 HydrophobicContact CD1-CB 3.79Å; L149-L491 HydrophobicContact CD2-CB 3.94Å; L149-L491 HydrophobicContact CD2-CD1 4.06Å; L149-R492 HydrophobicContact CB-CG 4.23Å; L149-R492 PolarHBondContact O-NE 2.79Å; L149-R492 PolarHBondContact O-NH2 2.7Å; L149-L495 HydrophobicContact CD1-CB 4.45Å; L149-L495 HydrophobicContact CD1-CD2 4.46Å
150Y96.7Very high94.1Very high0 Ų066.9 Ų66.90%037%0.369CS..G310 helixtrans-111.111.7173.8-63.9-97000111.4L144 F145 H147 P148 R223 I302 D304 R492 L495L144-Y150 HydrophobicContact CD1-CD2 4.36Å; L144-Y150 HydrophobicContact CD1-CE2 3.6Å; L144-Y150 HydrophobicContact CD2-CE1 4.01Å; L144-Y150 HydrophobicContact CD2-CE2 4.47Å; L144-Y150 HydrophobicContact CG-CD2 4.2Å; L144-Y150 HydrophobicContact CG-CE1 4.1Å; L144-Y150 HydrophobicContact CG-CE2 3.77Å; L144-Y150 WeakPolarHBondContact O-CD2 3.39Å; F145-Y150 AromaticContact CD1-CD1 3.76Å; F145-Y150 HydrophobicContact CD1-CD1 3.76Å; F145-Y150 HydrophobicContact CD1-CE1 4.46Å; F145-Y150 HydrophobicContact CD1-CG 4.3Å; F145-Y150 AromaticContact CE1-CD1 3.97Å; F145-Y150 HydrophobicContact CE1-CD1 3.97Å; F145-Y150 HydrophobicContact CE1-CE1 4.31Å; H147-Y150 HydrophobicContact CB-CD2 4.38Å; H147-Y150 WeakPolarHBondContact O-CA 3.49Å; H147-Y150 PolarHBondContact O-N 2.85Å; P148-Y150 PolarHBondContact O-N 3.29Å; P148-Y150 VanDerWaalsContact O-N 3.15Å; Y150-R223 WeakPolarHBondContact O-CD 3.43Å; Y150-R223 PolarHBondContact O-NE 3.49Å; Y150-R223 VanDerWaalsContact O-NE 3.09Å; Y150-R223 PolarHBondContact O-NH1 2.89Å; Y150-I302 WeakPolarHBondContact CE1-O 3.34Å; Y150-I302 PolarHBondContact OH-O 3.41Å; Y150-D304 HydrophobicContact CD1-CB 3.88Å; Y150-D304 HydrophobicContact CE1-CB 3.69Å; Y150-R492 HydrophobicContact CE2-CG 4.21Å; Y150-L495 HydrophobicContact CE2-CD2 3.92Å
151K94.5Very high94.1Very high98 Ų9863.2 Ų63.243%0.42636%0.356SS..  trans-122.119.4172.3-68.1176.7172.5164.10112.2E146 P148E146-K151 VanDerWaalsContact O-CE 3.3Å; E146-K151 WeakPolarHBondContact O-CE 3.33Å; E146-K151 PolarHBondContact O-NZ 3Å; E146-K151 IonicContact OE1-NZ 3.45Å; E146-K151 IonicContact OE2-NZ 2.72Å; E146-K151 PolarHBondContact OE2-NZ 2.7Å; P148-K151 CarbonylContact O-C 3.21Å; P148-K151 PolarHBondContact O-N 3.27Å
152V91.4Very high94.1Very high43 Ų4364.8 Ų64.826%0.26137%0.366SS..PPolyproline II helixtrans-74.4121.9166.4-172.60000107.5P148 R223 L556P148-V152 PolarHBondContact O-N 2.96Å; V152-R223 PolarHBondContact O-NH1 3.06Å; V152-R223 VanDerWaalsContact O-NH1 3.08Å; V152-R223 PolarHBondContact O-NH2 2.57Å; V152-L556 HydrophobicContact CB-CD2 4.44Å; V152-L556 HydrophobicContact CG1-CD2 3.91Å; V152-L556 HydrophobicContact CG2-CD2 3.83Å
153D88.9Confident94Very high141 Ų14162.1 Ų62.175%0.75435%0.346SS*.PPolyproline II helixtrans-78.1161.3175.4-69-45.4000111.7
154L90.7Very high93.7Very high63 Ų6361 Ų6133%0.3333%0.334SS..PPolyproline II helixtrans-85.1159.1171.7-68.8178.6000111Y218 E219L154-Y218 HydrophobicContact CB-CD2 4.46Å; L154-Y218 HydrophobicContact CD1-CD2 4.35Å; L154-Y218 HydrophobicContact CD2-CD2 4.38Å; L154-Y218 HydrophobicContact CD2-CG 4.19Å; L154-E219 HydrophobicContact CD1-CG 4.05Å
155P90.9Very high92.7Very high57 Ų5762 Ų6237%0.3734%0.339SS..PPolyproline II helixtrans-52.5143.8164.5-24.434.9000111.2L157 Y218P155-L157 PolarHBondContact O-N 3.41Å; P155-L157 VanDerWaalsContact O-N 3.16Å; P155-Y218 HydrophobicContact CB-CE2 4.07Å; P155-Y218 HydrophobicContact CG-CE1 4.37Å; P155-Y218 HydrophobicContact CG-CE2 4.04Å
156P92Very high91.2Very high123 Ų12363.9 Ų63.980%0.79935%0.353SS*.PPolyproline II helixtrans-55.9120.5176.8-25.834.9000111.5
157L93.6Very high89.3Confident82 Ų8265.6 Ų65.643%0.42937%0.366SS..PPolyproline II helixtrans-71131.3-175.5-57.2-179.4000111.4P155 D161 N216 Y218P155-L157 PolarHBondContact O-N 3.41Å; P155-L157 VanDerWaalsContact O-N 3.16Å; L157-D161 HydrophobicContact CB-CB 4.3Å; L157-D161 HydrophobicContact CD2-CB 4.03Å; L157-N216 HydrophobicContact CD1-CB 3.86Å; L157-N216 HydrophobicContact CD2-CB 4.13Å; L157-Y218 HydrophobicContact CD2-CD2 3.79Å; L157-Y218 HydrophobicContact CD2-CE2 3.82Å
158T93.2Very high87Confident74 Ų7469.8 Ų69.845%0.45439%0.39SS..PPolyproline II helixtrans-96.2170.6166.671.10000111.2D160 D161 T162T158-D160 PolarHBondContact O-N 2.87Å; T158-D161 WeakPolarHBondContact CB-OD2 3.28Å; T158-D161 PolarHBondContact N-OD2 3.49Å; T158-D161 WeakPolarHBondContact O-CA 3.47Å; T158-D161 WeakPolarHBondContact O-CB 3.25Å; T158-D161 PolarHBondContact O-N 3.21Å; T158-D161 VanDerWaalsContact OG1-CG 3.28Å; T158-D161 PolarHBondContact OG1-OD2 3.09Å; T158-T162 PolarHBondContact O-N 2.92Å
159D90.1Very high84.7Confident99 Ų9971 Ų7153%0.52939%0.391SS..THydrogen-bonded Turntrans-55.1-34175.6-74.625.3000112.8D161 T162 N165 K449D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 3.44Å; D159-T162 PolarHBondContact O-N 2.89Å; D159-T162 PolarHBondContact O-OG1 2.68Å; D159-N165 PolarHBondContact OD2-ND2 2.94Å; D159-K449 PolarHBondContact O-NZ 2.73Å
160D92.8Very high82.5Confident116 Ų11672 Ų7262%0.6240%0.396SS*.THydrogen-bonded Turntrans-74-14.6175.9-75.8-35.9000113.4T158 R217 F450T158-D160 PolarHBondContact O-N 2.87Å; D160-R217 PolarHBondContact O-NH2 2.89Å; D160-R217 VanDerWaalsContact O-NH2 3.16Å; D160-F450 WeakPolarHBondContact O-CD1 3.37Å
161D95.1Very high80.3Confident14 Ų1481.3 Ų81.38%0.07543%0.431CS..THydrogen-bonded Turntrans-95.6-15.8176.8-51.9-47.1000112.7L157 T158 D159 N216 R217 F450L157-D161 HydrophobicContact CB-CB 4.3Å; L157-D161 HydrophobicContact CD2-CB 4.03Å; T158-D161 WeakPolarHBondContact CB-OD2 3.28Å; T158-D161 PolarHBondContact N-OD2 3.49Å; T158-D161 WeakPolarHBondContact O-CA 3.47Å; T158-D161 WeakPolarHBondContact O-CB 3.25Å; T158-D161 PolarHBondContact O-N 3.21Å; T158-D161 VanDerWaalsContact OG1-CG 3.28Å; T158-D161 PolarHBondContact OG1-OD2 3.09Å; D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 3.44Å; D161-N216 CarbonylContact O-C 3.3Å; D161-N216 VanDerWaalsContact O-C 3.3Å; D161-N216 WeakPolarHBondContact O-CA 3.49Å; D161-N216 VanDerWaalsContact O-CB 3.24Å; D161-N216 WeakPolarHBondContact O-CB 3.44Å; D161-R217 HydrophobicContact CB-CB 4.09Å; D161-R217 PolarHBondContact O-N 3.43Å; D161-R217 IonicContact OD1-CZ 3.32Å; D161-R217 IonicContact OD1-NE 3.19Å; D161-R217 PolarHBondContact OD1-NE 3.27Å; D161-R217 IonicContact OD1-NH2 2.77Å; D161-R217 PolarHBondContact OD1-NH2 3.15Å; D161-F450 WeakPolarHBondContact O-CE1 3.48Å; D161-F450 WeakPolarHBondContact O-CZ 3.36Å
162T94.4Very high78.2Confident36 Ų3677.6 Ų77.622%0.22142%0.415CS..BIsolated β-bridgetrans-77.5147169.269.40000110.6T158 D159 K449 F450T158-T162 PolarHBondContact O-N 2.92Å; D159-T162 PolarHBondContact O-N 2.89Å; D159-T162 PolarHBondContact O-OG1 2.68Å; T162-K449 WeakPolarHBondContact O-CE 3.49Å; T162-K449 PolarHBondContact O-NZ 2.71Å; T162-F450 WeakPolarHBondContact O-CE1 3.48Å
163L94Very high76.3Confident11 Ų1181.9 Ų81.96%0.05843%0.428CS..SBendtrans-72.8-43.8171.3-171.758.6000111I215 P375 A380 F447 K449 F450L163-I215 HydrophobicContact CB-CB 4.09Å; L163-I215 HydrophobicContact CB-CG2 4.19Å; L163-I215 VanDerWaalsContact CB-O 3.26Å; L163-I215 WeakPolarHBondContact CB-O 3.38Å; L163-I215 HydrophobicContact CD2-CB 3.88Å; L163-I215 HydrophobicContact CD2-CD1 4.02Å; L163-I215 HydrophobicContact CD2-CG2 3.8Å; L163-I215 PolarHBondContact N-O 3.35Å; L163-P375 HydrophobicContact CD2-CG 4.05Å; L163-A380 HydrophobicContact CD1-CB 4.09Å; L163-A380 HydrophobicContact CD2-CB 3.86Å; L163-A380 HydrophobicContact CG-CB 4.18Å; L163-F447 HydrophobicContact CD1-CB 4.32Å; L163-F447 HydrophobicContact CD1-CD1 3.9Å; L163-F447 HydrophobicContact CD1-CE1 4.48Å; L163-F447 HydrophobicContact CD1-CG 4.13Å; L163-F447 HydrophobicContact CD2-CD1 3.96Å; L163-F447 HydrophobicContact CD2-CE1 3.7Å; L163-F447 HydrophobicContact CD2-CZ 4.1Å; L163-K449 HydrophobicContact CD1-CB 4.46Å; L163-K449 WeakPolarHBondContact O-CD 3.33Å; L163-K449 PolarHBondContact O-NZ 2.9Å; L163-F450 HydrophobicContact CB-CZ 4.04Å; L163-F450 HydrophobicContact CD1-CE2 4.3Å; L163-F450 HydrophobicContact CD1-CZ 4.15Å
164F89.8Confident74.3Confident15 Ų1576.9 Ų76.97%0.06640%0.403CS..SBendtrans-123.4127.6-179.5-58.5-69.4000111.7V166 I170 F172 H212 P375 L379 A380F164-V166 PolarHBondContact O-N 2.81Å; F164-I170 HydrophobicContact CD1-CD1 3.54Å; F164-I170 HydrophobicContact CE1-CD1 4.06Å; F164-I170 HydrophobicContact CG-CD1 4.34Å; F164-F172 HydrophobicContact CD1-CZ 4.26Å; F164-F172 HydrophobicContact CD2-CZ 4.5Å; F164-F172 HydrophobicContact CE1-CZ 4.38Å; F164-F172 HydrophobicContact CG-CZ 4.31Å; F164-H212 WeakPolarHBondContact CD2-O 3.49Å; F164-H212 HydrophobicContact CE2-CB 4.17Å; F164-H212 WeakPolarHBondContact CE2-O 3.47Å; F164-P375 HydrophobicContact CE2-CB 4Å; F164-P375 HydrophobicContact CE2-CG 3.68Å; F164-P375 HydrophobicContact CZ-CB 3.65Å; F164-P375 HydrophobicContact CZ-CG 3.83Å; F164-L379 HydrophobicContact CE1-CB 4.1Å; F164-L379 HydrophobicContact CZ-CB 4.39Å; F164-A380 HydrophobicContact CE1-CB 4.36Å; F164-A380 HydrophobicContact CZ-CB 3.89Å
165N75.4Confident72.1Confident21 Ų2182 Ų8211%0.11242%0.418CS..  trans-86.7105.3174.5-167.1-31.4000110.4D159 N167 N168 D169D159-N165 PolarHBondContact OD2-ND2 2.94Å; N165-N167 PolarHBondContact O-N 3.22Å; N165-N167 PolarHBondContact OD1-N 2.68Å; N165-N167 VanDerWaalsContact OD1-N 3.12Å; N165-N168 PolarHBondContact O-N 2.83Å; N165-D169 PolarHBondContact O-N 2.96Å
166V64.9Low69.6Low71 Ų7182.3 Ų82.343%0.4343%0.426SS..THydrogen-bonded Turntrans-65.3-24.2-175.5-174.40000112.5F164 I213F164-V166 PolarHBondContact O-N 2.81Å; V166-I213 HydrophobicContact CG2-CG2 3.57Å
167N55.6Low67.4Low146 Ų14678.1 Ų78.178%0.78140%0.398SS*.THydrogen-bonded Turntrans-81.7-24.9-175.3-71.4-27.2000114N165N165-N167 PolarHBondContact O-N 3.22Å; N165-N167 PolarHBondContact OD1-N 2.68Å; N165-N167 VanDerWaalsContact OD1-N 3.12Å
168N49.3Very low64.8Low135 Ų13575.9 Ų75.972%0.72239%0.394SS*.THydrogen-bonded Turntrans-120.3-38.4-172-79.6-33.1000115N165N165-N168 PolarHBondContact O-N 2.83Å
169D48.4Very low62.2Low120 Ų12077.1 Ų77.164%0.64240%0.398SS*.THydrogen-bonded Turntrans-101.1-37.9-157.3-71.8-53.9000116.5N165N165-D169 PolarHBondContact O-N 2.96Å
170I50.3Low59.6Low48 Ų4879.5 Ų79.525%0.24641%0.406CS..  trans-139.3102.3-162.6-37.3179.9000114.9F164 F172F164-I170 HydrophobicContact CD1-CD1 3.54Å; F164-I170 HydrophobicContact CE1-CD1 4.06Å; F164-I170 HydrophobicContact CG-CD1 4.34Å; I170-F172 HydrophobicContact CB-CD2 3.66Å; I170-F172 HydrophobicContact CB-CE2 3.6Å; I170-F172 HydrophobicContact CB-CG 4.31Å; I170-F172 HydrophobicContact CB-CZ 4.19Å; I170-F172 HydrophobicContact CD1-CE1 4.29Å; I170-F172 HydrophobicContact CD1-CE2 3.66Å; I170-F172 HydrophobicContact CD1-CZ 3.51Å; I170-F172 HydrophobicContact CG1-CE2 4.16Å; I170-F172 HydrophobicContact CG1-CZ 4.42Å; I170-F172 HydrophobicContact CG2-CB 4.33Å; I170-F172 HydrophobicContact CG2-CD1 3.81Å; I170-F172 HydrophobicContact CG2-CD2 3.41Å; I170-F172 VanDerWaalsContact CG2-CD2 3.41Å; I170-F172 HydrophobicContact CG2-CE1 3.97Å; I170-F172 HydrophobicContact CG2-CE2 3.6Å; I170-F172 HydrophobicContact CG2-CG 3.54Å; I170-F172 HydrophobicContact CG2-CZ 3.88Å; I170-F172 PolarHBondContact O-N 3.23Å; I170-F172 VanDerWaalsContact O-N 3.14Å
171R50.3Low56.8Low195 Ų19576.8 Ų76.874%0.73641%0.406SS*.  trans-71.794149.2-75.6-170.7179.3-165.8-0.8108.5Y173R171-Y173 VanDerWaalsContact C-N 3.34Å; R171-Y173 HydrophobicContact CB-CD2 4.41Å; R171-Y173 HydrophobicContact CB-CE2 3.89Å; R171-Y173 WeakPolarHBondContact O-CD2 3.46Å; R171-Y173 PolarHBondContact O-N 3.06Å
172F51.9Low54.4Low19 Ų1986.7 Ų86.78%0.08344%0.443CS..  trans-70.484.3179.3-84.3-84000111.5F164 I170 P174 T177 L209 I213 L379F164-F172 HydrophobicContact CD1-CZ 4.26Å; F164-F172 HydrophobicContact CD2-CZ 4.5Å; F164-F172 HydrophobicContact CE1-CZ 4.38Å; F164-F172 HydrophobicContact CG-CZ 4.31Å; I170-F172 HydrophobicContact CB-CD2 3.66Å; I170-F172 HydrophobicContact CB-CE2 3.6Å; I170-F172 HydrophobicContact CB-CG 4.31Å; I170-F172 HydrophobicContact CB-CZ 4.19Å; I170-F172 HydrophobicContact CD1-CE1 4.29Å; I170-F172 HydrophobicContact CD1-CE2 3.66Å; I170-F172 HydrophobicContact CD1-CZ 3.51Å; I170-F172 HydrophobicContact CG1-CE2 4.16Å; I170-F172 HydrophobicContact CG1-CZ 4.42Å; I170-F172 HydrophobicContact CG2-CB 4.33Å; I170-F172 HydrophobicContact CG2-CD1 3.81Å; I170-F172 HydrophobicContact CG2-CD2 3.41Å; I170-F172 VanDerWaalsContact CG2-CD2 3.41Å; I170-F172 HydrophobicContact CG2-CE1 3.97Å; I170-F172 HydrophobicContact CG2-CE2 3.6Å; I170-F172 HydrophobicContact CG2-CG 3.54Å; I170-F172 HydrophobicContact CG2-CZ 3.88Å; I170-F172 PolarHBondContact O-N 3.23Å; I170-F172 VanDerWaalsContact O-N 3.14Å; F172-P174 WeakPolarHBondContact O-CD 3.47Å; F172-T177 HydrophobicContact CD1-CG2 4Å; F172-T177 HydrophobicContact CE1-CG2 4.22Å; F172-L209 HydrophobicContact CB-CD1 4.16Å; F172-L209 HydrophobicContact CB-CD2 3.6Å; F172-L209 HydrophobicContact CD1-CD1 3.63Å; F172-L209 HydrophobicContact CD2-CD1 3.82Å; F172-L209 HydrophobicContact CE1-CD1 3.8Å; F172-L209 HydrophobicContact CE2-CD1 3.98Å; F172-L209 HydrophobicContact CG-CD1 3.63Å; F172-L209 HydrophobicContact CG-CD2 4.04Å; F172-L209 HydrophobicContact CG-CG 4.45Å; F172-L209 HydrophobicContact CZ-CD1 3.97Å; F172-I213 HydrophobicContact CE2-CG1 4.35Å; F172-L379 HydrophobicContact CE1-CD1 4Å
173Y49.9Very low51.5Low133 Ų13392.3 Ų92.352%0.52247%0.466SS..  trans-69.8118.9165.8-61.3-74.8000109.1R171 R175 A176R171-Y173 VanDerWaalsContact C-N 3.34Å; R171-Y173 HydrophobicContact CB-CD2 4.41Å; R171-Y173 HydrophobicContact CB-CE2 3.89Å; R171-Y173 WeakPolarHBondContact O-CD2 3.46Å; R171-Y173 PolarHBondContact O-N 3.06Å; Y173-R175 PolarHBondContact O-N 3.47Å; Y173-A176 WeakPolarHBondContact O-CB 3.19Å; Y173-A176 PolarHBondContact O-N 2.81Å
174P46.8Very low48.6Very low37 Ų3799 Ų9924%0.2450%0.502CS..THydrogen-bonded Turntrans-61.6-22.5-172.9-27.436.8000115.2F172 A176 T177 Y261F172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-A176 VanDerWaalsContact C-N 3.26Å; P174-A176 PolarHBondContact O-N 3.08Å; P174-T177 PolarHBondContact O-OG1 2.76Å; P174-Y261 HydrophobicContact CB-CD2 3.38Å; P174-Y261 HydrophobicContact CB-CE2 3.96Å; P174-Y261 HydrophobicContact CB-CG 3.78Å; P174-Y261 HydrophobicContact CG-CD2 4.44Å
175R44.4Very low46Very low169 Ų169107.4 Ų107.464%0.63854%0.541SS*.THydrogen-bonded Turntrans-64.6-25.6171.5-69-171.4179.3-158-0.4113Y173 E191Y173-R175 PolarHBondContact O-N 3.47Å; R175-E191 IonicContact CZ-OE1 2.71Å; R175-E191 VanDerWaalsContact CZ-OE1 3.28Å; R175-E191 IonicContact NH1-OE1 3.83Å; R175-E191 PolarHBondContact NH1-OE1 2.96Å; R175-E191 IonicContact NH2-OE1 3.76Å; R175-E191 PolarHBondContact NH2-OE1 3.48Å
176A38.7Very low44Very low65 Ų65116 Ų11654%0.53758%0.581SS.*THydrogen-bonded Turntrans-84.3-23.6-172.900000114.4Y173 P174 G178Y173-A176 WeakPolarHBondContact O-CB 3.19Å; Y173-A176 PolarHBondContact O-N 2.81Å; P174-A176 VanDerWaalsContact C-N 3.26Å; P174-A176 PolarHBondContact O-N 3.08Å; A176-G178 VanDerWaalsContact C-N 3.34Å
177T45.4Very low42.8Very low34 Ų34116.3 Ų116.321%0.20960%0.598CS.*SBendtrans-85.1-5.1177.346.90000113.6F172 P174 W208 L379F172-T177 HydrophobicContact CD1-CG2 4Å; F172-T177 HydrophobicContact CE1-CG2 4.22Å; P174-T177 PolarHBondContact O-OG1 2.76Å; T177-W208 HydrophobicContact CG2-CH2 4.4Å; T177-L379 HydrophobicContact CG2-CD1 3.93Å
178G39.4Very low41.6Very low35 Ų35116 Ų11636%0.36160%0.596SS.*SBendtrans-74130.4169.500000110.9A176 Q180A176-G178 VanDerWaalsContact C-N 3.34Å; G178-Q180 PolarHBondContact O-N 3.4Å
179N38.7Very low41.1Very low100 Ų100118.8 Ų118.854%0.53561%0.605SS.*  trans-57.9107.9-179.8179.4-3.7000111.5G181N179-G181 PolarHBondContact O-N 2.8Å; N179-G181 VanDerWaalsContact O-N 3.09Å; N179-G181 PolarHBondContact OD1-N 2.96Å; N179-G181 VanDerWaalsContact OD1-N 3.12Å
180Q35.8Very low40.5Very low149 Ų149119.2 Ų119.270%0.69661%0.607SS**G310 helixtrans-64.3-15.5-173.6-63.8-176.6-1.300114G178 W182 H183G178-Q180 PolarHBondContact O-N 3.4Å; Q180-W182 PolarHBondContact O-N 3.48Å; Q180-H183 PolarHBondContact O-N 3Å
181G34.9Very low40.1Very low60 Ų60123.9 Ų123.962%0.61963%0.628SS**G310 helixtrans-63.9-1.6-178.900000116.4N179N179-G181 PolarHBondContact O-N 2.8Å; N179-G181 VanDerWaalsContact O-N 3.09Å; N179-G181 PolarHBondContact OD1-N 2.96Å; N179-G181 VanDerWaalsContact OD1-N 3.12Å
182W43.8Very low39.6Very low222 Ų222122.3 Ų122.384%0.84163%0.634SS**G310 helixtrans-126.59.2-178.8-64.2102000114.8Q180Q180-W182 PolarHBondContact O-N 3.48Å
183H34.2Very low39Very low153 Ų153129.9 Ų129.971%0.70867%0.67SS**  trans-110.763.4175.3-84.8-90.5000111.8Q180Q180-H183 PolarHBondContact O-N 3Å
184N32.3Very low38.4Very low153 Ų153131.4 Ų131.482%0.81868%0.68SS**  trans-150.589.1165.9-87.9-50.9000109.9
185E35.4Very low37.6Very low190 Ų190134.7 Ų134.789%0.88870%0.703SS**SBendtrans173.1128.7132.2-97171.5-176.400110.2
186E34Very low37.4Very low203 Ų203130.7 Ų130.795%0.94970%0.7SS**  trans62.2141.7171.3-56.1-174.2153.800117.2
187G40.1Very low37.4Very low77 Ų77134.6 Ų134.679%0.79472%0.717SS**  trans-106.1163.8-163.800000114.8
188N29.6Very low37.2Very low139 Ų139136.7 Ų136.774%0.74374%0.738SS**  trans-143.1129.8157.5-145.370.3000108D190N188-D190 PolarHBondContact ND2-OD2 3.12Å; N188-D190 PolarHBondContact O-N 3.16Å
189E38.1Very low37.3Very low194 Ų194144 Ų14491%0.90776%0.763SS**  trans-88.382.5-174.4-66.4178.314700110.8
190D36Very low38.1Very low128 Ų128142 Ų14268%0.68476%0.76SS**  trans-128.858.9171.4-65-74.4000109.6N188 D192N188-D190 PolarHBondContact ND2-OD2 3.12Å; N188-D190 PolarHBondContact O-N 3.16Å; D190-D192 PolarHBondContact O-N 3.35Å
191E43.2Very low39.4Very low146 Ų146139.3 Ų139.368%0.68275%0.753SS**  trans-95.259.9-176.6-78.4-136.810400114.6R175R175-E191 IonicContact CZ-OE1 2.71Å; R175-E191 VanDerWaalsContact CZ-OE1 3.28Å; R175-E191 IonicContact NH1-OE1 3.83Å; R175-E191 PolarHBondContact NH1-OE1 2.96Å; R175-E191 IonicContact NH2-OE1 3.76Å; R175-E191 PolarHBondContact NH2-OE1 3.48Å
192D38.8Very low40.8Very low162 Ų162139 Ų13987%0.86675%0.745SS**  trans-128.8138.7155.4-79.6-58.5000106.5D190D190-D192 PolarHBondContact O-N 3.35Å
193E40.1Very low42.1Very low179 Ų179135.4 Ų135.484%0.83674%0.738SS**SBendcis-155.8101.830.2172.1-169.8-153.400109.2
194F36.8Very low44.3Very low164 Ų164131.6 Ų131.672%0.71973%0.728SS**  trans-161.373.4161.6-145.4-93.2000114.2P196F194-P196 VanDerWaalsContact O-CD 3.3Å; F194-P196 WeakPolarHBondContact O-CD 3.46Å
195S29.2Very low47Very low106 Ų106126.4 Ų126.474%0.74170%0.697SS**  trans-99.2102.7170.9-74.90000110.7T197S195-T197 PolarHBondContact O-N 3.26Å
196P40.3Very low49.8Very low86 Ų86119 Ų11956%0.55867%0.666SS**  trans-78.381.6-178.532-35.7000111.8F194 A198F194-P196 VanDerWaalsContact O-CD 3.3Å; F194-P196 WeakPolarHBondContact O-CD 3.46Å; P196-A198 PolarHBondContact O-N 2.91Å; P196-A198 VanDerWaalsContact O-N 3.09Å
197T38.9Very low52.8Low146 Ų146111 Ų11190%0.89663%0.629SS**  trans-82.248.8170.340.30000112.4S195S195-T197 PolarHBondContact O-N 3.26Å
198A40.8Very low55.5Low79 Ų79108.2 Ų108.265%0.65360%0.595SS**SBendtrans-152.2152.2171.500000110.3P196 A200P196-A198 PolarHBondContact O-N 2.91Å; P196-A198 VanDerWaalsContact O-N 3.09Å; A198-A200 PolarHBondContact O-N 2.89Å
199E43.2Very low58.6Low189 Ų189101.6 Ų101.688%0.88356%0.56SS**  trans-71.1100.7171-66.5-173129.200109.6T201E199-T201 PolarHBondContact O-N 3.18Å
200A55.2Low61.3Low57 Ų5796.1 Ų96.147%0.47153%0.531SS..  trans-66.8101.7-178.100000111.2A198A198-A200 PolarHBondContact O-N 2.89Å
201T62.5Low64.2Low92 Ų9290.6 Ų90.656%0.56450%0.501SS*.  trans-64.8152.1172.663.80000110.4E199 E203 S204E199-T201 PolarHBondContact O-N 3.18Å; T201-E203 PolarHBondContact O-N 3.01Å; T201-S204 WeakPolarHBondContact O-CB 3.3Å; T201-S204 PolarHBondContact O-N 3.16Å; T201-S204 PolarHBondContact O-OG 3.47Å
202A64.6Low66.7Low53 Ų5384.3 Ų84.344%0.43847%0.471SS..G310 helixtrans-59.8-19-177.100000114.4Y205A202-Y205 HydrophobicContact CB-CD2 4.3Å; A202-Y205 HydrophobicContact CB-CE2 4.26Å; A202-Y205 WeakPolarHBondContact O-CD2 3.46Å
203E70.4Confident69.3Low148 Ų14878.4 Ų78.469%0.69244%0.439SS*.G310 helixtrans-76.5-23.8175-56.7-167.3138.600113.5T201 Y205 R210T201-E203 PolarHBondContact O-N 3.01Å; E203-Y205 VanDerWaalsContact C-N 3.29Å; E203-Y205 PolarHBondContact O-N 2.95Å; E203-R210 PolarHBondContact O-NH1 3.26Å
204S81.2Confident71.9Confident73 Ų7371.2 Ų71.251%0.5141%0.414SS..G310 helixtrans-77.9-10.6178.771.10000114T201T201-S204 WeakPolarHBondContact O-CB 3.3Å; T201-S204 PolarHBondContact O-N 3.16Å; T201-S204 PolarHBondContact O-OG 3.47Å
205Y89.3Confident74.8Confident43 Ų4363.5 Ų63.517%0.16938%0.38CS..SBendtrans-67.8147.1178-69.1-39.8000112.8A202 E203 L209 R210 I213A202-Y205 HydrophobicContact CB-CD2 4.3Å; A202-Y205 HydrophobicContact CB-CE2 4.26Å; A202-Y205 WeakPolarHBondContact O-CD2 3.46Å; E203-Y205 VanDerWaalsContact C-N 3.29Å; E203-Y205 PolarHBondContact O-N 2.95Å; Y205-L209 HydrophobicContact CD1-CD2 3.76Å; Y205-L209 HydrophobicContact CD2-CD2 4.25Å; Y205-L209 HydrophobicContact CE1-CD2 4.31Å; Y205-L209 HydrophobicContact CG-CD2 3.73Å; Y205-L209 HydrophobicContact CG-CG 4.3Å; Y205-R210 WeakPolarHBondContact O-CD 3.38Å; Y205-R210 WeakPolarHBondContact O-CG 3.41Å; Y205-I213 HydrophobicContact CD2-CD1 3.92Å; Y205-I213 HydrophobicContact CE2-CD1 4.16Å
206P94.3Very high78Confident36 Ų3658.7 Ų58.723%0.23435%0.346CS..  trans-54.2149.9173-27.135.5000113.2W208 L209 R210P206-W208 HydrophobicContact CB-CG 4.33Å; P206-W208 PolarHBondContact O-N 3.37Å; P206-W208 VanDerWaalsContact O-N 3.14Å; P206-L209 PolarHBondContact O-N 3.43Å; P206-R210 PolarHBondContact O-N 3.15Å
207N96.7Very high80.8Confident33 Ų3356.4 Ų56.418%0.17633%0.326CS..Hα-helixtrans-60.3-31-174.8-60.1-60000113.3L209 F211 V227 A230 L231 D234N207-L209 VanDerWaalsContact C-N 3.35Å; N207-F211 WeakPolarHBondContact O-CB 3.46Å; N207-F211 PolarHBondContact O-N 3.26Å; N207-V227 HydrophobicContact CB-CG1 4.25Å; N207-V227 WeakPolarHBondContact O-CG1 3.31Å; N207-A230 HydrophobicContact CB-CB 4.39Å; N207-A230 WeakPolarHBondContact OD1-CB 3.48Å; N207-L231 HydrophobicContact CB-CB 4.04Å; N207-D234 WeakPolarHBondContact CB-OD2 3.23Å; N207-D234 PolarHBondContact ND2-OD2 3.38Å
208W96.4Very high83.5Confident19 Ų1953.2 Ų53.27%0.07230%0.298CS..Hα-helixtrans-64.4-38174.369.8-101.4000112.4T177 P206 F211 H212 L231 N260 G262T177-W208 HydrophobicContact CG2-CH2 4.4Å; P206-W208 HydrophobicContact CB-CG 4.33Å; P206-W208 PolarHBondContact O-N 3.37Å; P206-W208 VanDerWaalsContact O-N 3.14Å; W208-F211 WeakPolarHBondContact O-CB 3.48Å; W208-F211 PolarHBondContact O-N 2.9Å; W208-H212 AromaticContact CE3-CE1 3.65Å; W208-H212 AromaticContact CE3-ND1 3.65Å; W208-H212 AromaticContact CZ3-CE1 3.91Å; W208-H212 AromaticContact CZ3-ND1 3.67Å; W208-H212 PolarHBondContact O-CD2 3.39Å; W208-H212 VanDerWaalsContact O-CD2 3.23Å; W208-H212 PolarHBondContact O-N 2.79Å; W208-L231 HydrophobicContact CB-CD1 3.97Å; W208-N260 PolarHBondContact NE1-O 3.14Å; W208-G262 VanDerWaalsContact NE1-N 3.19Å
209L94.7Very high86.2Confident1 Ų150 Ų501%0.00527%0.27CS..Hα-helixtrans-76.9-38.8179.3177.755.9000110.9F172 Y205 P206 N207 F211 H212 I213F172-L209 HydrophobicContact CB-CD1 4.16Å; F172-L209 HydrophobicContact CB-CD2 3.6Å; F172-L209 HydrophobicContact CD1-CD1 3.63Å; F172-L209 HydrophobicContact CD2-CD1 3.82Å; F172-L209 HydrophobicContact CE1-CD1 3.8Å; F172-L209 HydrophobicContact CE2-CD1 3.98Å; F172-L209 HydrophobicContact CG-CD1 3.63Å; F172-L209 HydrophobicContact CG-CD2 4.04Å; F172-L209 HydrophobicContact CG-CG 4.45Å; F172-L209 HydrophobicContact CZ-CD1 3.97Å; Y205-L209 HydrophobicContact CD1-CD2 3.76Å; Y205-L209 HydrophobicContact CD2-CD2 4.25Å; Y205-L209 HydrophobicContact CE1-CD2 4.31Å; Y205-L209 HydrophobicContact CG-CD2 3.73Å; Y205-L209 HydrophobicContact CG-CG 4.3Å; P206-L209 PolarHBondContact O-N 3.43Å; N207-L209 VanDerWaalsContact C-N 3.35Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 PolarHBondContact O-N 3.3Å; L209-H212 WeakPolarHBondContact O-CB 3.36Å; L209-H212 PolarHBondContact O-N 3.22Å; L209-H212 VanDerWaalsContact O-N 3.16Å; L209-I213 HydrophobicContact CD1-CD1 4.07Å; L209-I213 HydrophobicContact CD1-CG1 4.27Å; L209-I213 HydrophobicContact CG-CD1 4Å; L209-I213 WeakPolarHBondContact O-CG1 3.3Å; L209-I213 PolarHBondContact O-N 2.92Å
210R94.7Very high88.8Confident79 Ų7941 Ų4130%0.29823%0.228SC..Hα-helixtrans-62.5-34.9171.5-66.2178.767.1-178.53.9111.9E203 Y205 P206 G214 V227E203-R210 PolarHBondContact O-NH1 3.26Å; Y205-R210 WeakPolarHBondContact O-CD 3.38Å; Y205-R210 WeakPolarHBondContact O-CG 3.41Å; P206-R210 PolarHBondContact O-N 3.15Å; R210-G214 PolarHBondContact O-N 3.36Å; R210-G214 VanDerWaalsContact O-N 3.11Å; R210-V227 HydrophobicContact CB-CG1 3.62Å; R210-V227 HydrophobicContact CB-CG2 4.15Å
211F96.7Very high90.9Very high12 Ų1238.5 Ų38.55%0.05321%0.206CC..Hα-helixtrans-64-48.8168.8161.4-118.6000111.7N207 W208 L209 I213 G214 I215 L220 V227 L231 P310 A372 L374N207-F211 WeakPolarHBondContact O-CB 3.46Å; N207-F211 PolarHBondContact O-N 3.26Å; W208-F211 WeakPolarHBondContact O-CB 3.48Å; W208-F211 PolarHBondContact O-N 2.9Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 PolarHBondContact O-N 3.3Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.45Å; F211-G214 PolarHBondContact O-N 3.4Å; F211-G214 VanDerWaalsContact O-N 3.08Å; F211-I215 HydrophobicContact CE2-CG1 4.42Å; F211-I215 HydrophobicContact CZ-CD1 4.45Å; F211-I215 PolarHBondContact O-N 3.24Å; F211-L220 HydrophobicContact CE2-CB 4.28Å; F211-L220 WeakPolarHBondContact CE2-O 3.21Å; F211-V227 HydrophobicContact CB-CG1 4.48Å; F211-L231 HydrophobicContact CB-CD2 3.63Å; F211-L231 HydrophobicContact CD1-CD2 3.7Å; F211-L231 HydrophobicContact CG-CD2 3.72Å; F211-P310 HydrophobicContact CD2-CG 4.32Å; F211-P310 HydrophobicContact CE1-CG 4.49Å; F211-P310 HydrophobicContact CE2-CG 4.03Å; F211-P310 HydrophobicContact CZ-CG 4.13Å; F211-A372 HydrophobicContact CE1-CB 4.45Å; F211-L374 HydrophobicContact CE1-CD2 4.46Å; F211-L374 HydrophobicContact CZ-CD2 4.13Å
212H96.3Very high92.4Very high14 Ų1436.6 Ų36.67%0.06520%0.195CC..Hα-helixtrans-57.2-43.7177.6-72.1-173.9000113F164 W208 L209 G214 I215 F373 P375F164-H212 WeakPolarHBondContact CD2-O 3.49Å; F164-H212 HydrophobicContact CE2-CB 4.17Å; F164-H212 WeakPolarHBondContact CE2-O 3.47Å; W208-H212 AromaticContact CE3-CE1 3.65Å; W208-H212 AromaticContact CE3-ND1 3.65Å; W208-H212 AromaticContact CZ3-CE1 3.91Å; W208-H212 AromaticContact CZ3-ND1 3.67Å; W208-H212 PolarHBondContact O-CD2 3.39Å; W208-H212 VanDerWaalsContact O-CD2 3.23Å; W208-H212 PolarHBondContact O-N 2.79Å; L209-H212 WeakPolarHBondContact O-CB 3.36Å; L209-H212 PolarHBondContact O-N 3.22Å; L209-H212 VanDerWaalsContact O-N 3.16Å; H212-G214 VanDerWaalsContact C-N 3.31Å; H212-G214 PolarHBondContact O-N 3.04Å; H212-I215 PolarHBondContact O-N 2.84Å; H212-F373 PolarHBondContact NE2-O 3.14Å; H212-P375 HydrophobicContact CB-CG 3.95Å
213I93.3Very high93.7Very high37 Ų3736 Ų3619%0.1918%0.182CC..Hα-helixtrans-66.8-32.1177.1-67.2165.4000111.6V166 F172 Y205 L209 F211 I215V166-I213 HydrophobicContact CG2-CG2 3.57Å; F172-I213 HydrophobicContact CE2-CG1 4.35Å; Y205-I213 HydrophobicContact CD2-CD1 3.92Å; Y205-I213 HydrophobicContact CE2-CD1 4.16Å; L209-I213 HydrophobicContact CD1-CD1 4.07Å; L209-I213 HydrophobicContact CD1-CG1 4.27Å; L209-I213 HydrophobicContact CG-CD1 4Å; L209-I213 WeakPolarHBondContact O-CG1 3.3Å; L209-I213 PolarHBondContact O-N 2.92Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.45Å; I213-I215 VanDerWaalsContact C-N 3.31Å; I213-I215 PolarHBondContact O-N 3.09Å
214G94.5Very high94.5Very high29 Ų2934.6 Ų34.630%0.29918%0.175SC..Hα-helixtrans-75.4-8.5179.800000115.9R210 F211 H212 N216R210-G214 PolarHBondContact O-N 3.36Å; R210-G214 VanDerWaalsContact O-N 3.11Å; F211-G214 PolarHBondContact O-N 3.4Å; F211-G214 VanDerWaalsContact O-N 3.08Å; H212-G214 VanDerWaalsContact C-N 3.31Å; H212-G214 PolarHBondContact O-N 3.04Å; G214-N216 PolarHBondContact O-N 2.84Å
215I97.5Very high94.9Very high1 Ų132.2 Ų32.21%0.00516%0.158CC..  trans-69.3129.3177.3-60.1167.6000109.5L163 F211 H212 I213 L220 L374 P375 F447L163-I215 HydrophobicContact CB-CB 4.09Å; L163-I215 HydrophobicContact CB-CG2 4.19Å; L163-I215 VanDerWaalsContact CB-O 3.26Å; L163-I215 WeakPolarHBondContact CB-O 3.38Å; L163-I215 HydrophobicContact CD2-CB 3.88Å; L163-I215 HydrophobicContact CD2-CD1 4.02Å; L163-I215 HydrophobicContact CD2-CG2 3.8Å; L163-I215 PolarHBondContact N-O 3.35Å; F211-I215 HydrophobicContact CE2-CG1 4.42Å; F211-I215 HydrophobicContact CZ-CD1 4.45Å; F211-I215 PolarHBondContact O-N 3.24Å; H212-I215 PolarHBondContact O-N 2.84Å; I213-I215 VanDerWaalsContact C-N 3.31Å; I213-I215 PolarHBondContact O-N 3.09Å; I215-L220 HydrophobicContact CD1-CD2 4.17Å; I215-L220 HydrophobicContact CG1-CD2 4.23Å; I215-L220 WeakPolarHBondContact CG1-O 3.3Å; I215-L220 HydrophobicContact CG2-CD2 4.24Å; I215-L374 HydrophobicContact CD1-CD2 4.31Å; I215-P375 HydrophobicContact CD1-CG 4.03Å; I215-F447 HydrophobicContact CD1-CZ 4.15Å; I215-F447 HydrophobicContact CG2-CD2 4.26Å; I215-F447 HydrophobicContact CG2-CE2 3.67Å; I215-F447 HydrophobicContact CG2-CZ 4.01Å
216N97.2Very high95.1Very high6 Ų635 Ų353%0.03218%0.182CC..BIsolated β-bridgetrans-131.7-176.7179.365.571.3000111.5L157 D161 G214 Y218 E219 F450 F455L157-N216 HydrophobicContact CD1-CB 3.86Å; L157-N216 HydrophobicContact CD2-CB 4.13Å; D161-N216 CarbonylContact O-C 3.3Å; D161-N216 VanDerWaalsContact O-C 3.3Å; D161-N216 WeakPolarHBondContact O-CA 3.49Å; D161-N216 VanDerWaalsContact O-CB 3.24Å; D161-N216 WeakPolarHBondContact O-CB 3.44Å; G214-N216 PolarHBondContact O-N 2.84Å; N216-Y218 PolarHBondContact O-N 3.44Å; N216-Y218 VanDerWaalsContact O-N 3.16Å; N216-Y218 PolarHBondContact OD1-N 3.33Å; N216-E219 PolarHBondContact N-O 3.38Å; N216-E219 WeakPolarHBondContact ND2-CG 3.47Å; N216-E219 PolarHBondContact ND2-OE1 3.45Å; N216-E219 VanDerWaalsContact ND2-OE1 3.15Å; N216-E219 PolarHBondContact OD1-N 2.72Å; N216-F450 VanDerWaalsContact C-CE2 3.47Å; N216-F450 VanDerWaalsContact C-CZ 3.47Å; N216-F450 VanDerWaalsContact O-CE2 3.28Å; N216-F450 WeakPolarHBondContact O-CE2 3.39Å; N216-F455 WeakPolarHBondContact O-CE1 3.28Å
217R97.6Very high95.1Very high37 Ų3734.1 Ų34.114%0.1418%0.176CC..SBendtrans-57-28-177.7-179.1177.5-61.8-78.3-4.8114.4D160 D161 F450 E453 F455D160-R217 PolarHBondContact O-NH2 2.89Å; D160-R217 VanDerWaalsContact O-NH2 3.16Å; D161-R217 HydrophobicContact CB-CB 4.09Å; D161-R217 PolarHBondContact O-N 3.43Å; D161-R217 IonicContact OD1-CZ 3.32Å; D161-R217 IonicContact OD1-NE 3.19Å; D161-R217 PolarHBondContact OD1-NE 3.27Å; D161-R217 IonicContact OD1-NH2 2.77Å; D161-R217 PolarHBondContact OD1-NH2 3.15Å; R217-F450 HydrophobicContact CB-CD1 4.27Å; R217-F450 HydrophobicContact CB-CE1 4.45Å; R217-F450 HydrophobicContact CB-CG 4.34Å; R217-F450 HydrophobicContact CG-CG 4.49Å; R217-F450 PolarHBondContact NH1-O 3.17Å; R217-E453 VanDerWaalsContact CD-O 3.31Å; R217-E453 WeakPolarHBondContact CD-O 3.45Å; R217-E453 VanDerWaalsContact CG-O 3.23Å; R217-E453 WeakPolarHBondContact CG-O 3.26Å; R217-E453 PolarHBondContact NH1-O 3Å; R217-F455 VanDerWaalsContact O-CD1 3.32Å; R217-F455 WeakPolarHBondContact O-CD1 3.26Å
218Y97.2Very high95.1Very high80 Ų8033 Ų3331%0.31417%0.169SC..SBendtrans-109.7-21.9-165.3-52.4-65.9000114.3L154 P155 L157 N216 F455L154-Y218 HydrophobicContact CB-CD2 4.46Å; L154-Y218 HydrophobicContact CD1-CD2 4.35Å; L154-Y218 HydrophobicContact CD2-CD2 4.38Å; L154-Y218 HydrophobicContact CD2-CG 4.19Å; P155-Y218 HydrophobicContact CB-CE2 4.07Å; P155-Y218 HydrophobicContact CG-CE1 4.37Å; P155-Y218 HydrophobicContact CG-CE2 4.04Å; L157-Y218 HydrophobicContact CD2-CD2 3.79Å; L157-Y218 HydrophobicContact CD2-CE2 3.82Å; N216-Y218 PolarHBondContact O-N 3.44Å; N216-Y218 VanDerWaalsContact O-N 3.16Å; N216-Y218 PolarHBondContact OD1-N 3.33Å; Y218-F455 WeakPolarHBondContact O-CD1 3.37Å
219E97.4Very high95Very high11 Ų1136 Ų365%0.05119%0.187CC..  trans-151.6157.4-17659.9-177.4-16800112.9L154 N216 P222 R306 F455L154-E219 HydrophobicContact CD1-CG 4.05Å; N216-E219 PolarHBondContact N-O 3.38Å; N216-E219 WeakPolarHBondContact ND2-CG 3.47Å; N216-E219 PolarHBondContact ND2-OE1 3.45Å; N216-E219 VanDerWaalsContact ND2-OE1 3.15Å; N216-E219 PolarHBondContact OD1-N 2.72Å; E219-P222 VanDerWaalsContact OE1-CA 3.3Å; E219-P222 WeakPolarHBondContact OE1-CA 3.36Å; E219-P222 WeakPolarHBondContact OE1-CG 3.37Å; E219-R306 HydrophobicContact CB-CB 4.14Å; E219-R306 IonicContact OE2-CZ 2.6Å; E219-R306 IonicContact OE2-NE 2.91Å; E219-R306 PolarHBondContact OE2-NE 2.9Å; E219-R306 IonicContact OE2-NH2 2.76Å; E219-R306 PolarHBondContact OE2-NH2 2.86Å; E219-F455 WeakPolarHBondContact O-CE1 3.35Å
220L98.2Very high95.1Very high0 Ų037.3 Ų37.30%020%0.198CC..SBendtrans-77.1-28.6165.6-75.3179.3000112.9F211 I215 R306 R307 P309 L374 F447 F455 I457F211-L220 HydrophobicContact CE2-CB 4.28Å; F211-L220 WeakPolarHBondContact CE2-O 3.21Å; I215-L220 HydrophobicContact CD1-CD2 4.17Å; I215-L220 HydrophobicContact CG1-CD2 4.23Å; I215-L220 WeakPolarHBondContact CG1-O 3.3Å; I215-L220 HydrophobicContact CG2-CD2 4.24Å; L220-R306 WeakPolarHBondContact CB-O 3.42Å; L220-R306 PolarHBondContact N-O 2.96Å; L220-R307 VanDerWaalsContact CD1-O 3.26Å; L220-R307 WeakPolarHBondContact CD1-O 3.24Å; L220-P309 HydrophobicContact CD1-CB 4.49Å; L220-P309 HydrophobicContact CD1-CG 4.03Å; L220-L374 HydrophobicContact CD1-CD2 4.38Å; L220-L374 HydrophobicContact CD2-CD2 3.7Å; L220-F447 HydrophobicContact CD2-CE2 3.84Å; L220-F447 HydrophobicContact CD2-CZ 4.09Å; L220-F455 HydrophobicContact CD2-CE2 4.05Å; L220-F455 HydrophobicContact CD2-CZ 3.78Å; L220-F455 HydrophobicContact CG-CE2 3.8Å; L220-F455 HydrophobicContact CG-CZ 3.79Å; L220-I457 HydrophobicContact CD1-CG2 4.38Å
221Y97.6Very high95.3Very high4 Ų433.8 Ų33.82%0.01619%0.185CC..SBendtrans-156.4143.4-176.254.7-90.8000111.3L228 F297 D300 R301 R306 V308Y221-L228 HydrophobicContact CD2-CD1 4.3Å; Y221-L228 HydrophobicContact CD2-CD2 3.67Å; Y221-L228 HydrophobicContact CE2-CD2 3.77Å; Y221-L228 HydrophobicContact CG-CD1 4.25Å; Y221-L228 HydrophobicContact CG-CD2 4.41Å; Y221-F297 HydrophobicContact CE1-CE2 4.06Å; Y221-F297 HydrophobicContact CE2-CE2 4.49Å; Y221-F297 AromaticContact CZ-CE2 3.8Å; Y221-D300 PolarHBondContact OH-OD2 2.9Å; Y221-R301 HydrophobicContact CE2-CG 4.4Å; Y221-R306 HydrophobicContact CD2-CB 4.27Å; Y221-R306 HydrophobicContact CD2-CG 4.45Å; Y221-R306 HydrophobicContact CE1-CB 4.21Å; Y221-R306 HydrophobicContact CE2-CB 3.9Å; Y221-R306 HydrophobicContact CE2-CG 3.9Å; Y221-R306 WeakPolarHBondContact O-CD 3.4Å; Y221-R306 PolarHBondContact O-NE 3.3Å; Y221-V308 WeakPolarHBondContact CE1-O 3.45Å
222P94.7Very high95.3Very high53 Ų5334.3 Ų34.334%0.34419%0.188SC..  trans-63.2145.1173.6-24.233.3000113.2E219 H224 S225E219-P222 VanDerWaalsContact OE1-CA 3.3Å; E219-P222 WeakPolarHBondContact OE1-CA 3.36Å; E219-P222 WeakPolarHBondContact OE1-CG 3.37Å; P222-H224 VanDerWaalsContact C-N 3.26Å; P222-H224 PolarHBondContact O-N 2.82Å; P222-S225 WeakPolarHBondContact O-CB 3.42Å; P222-S225 PolarHBondContact O-N 2.75Å
223R92.4Very high95.4Very high40 Ų4040.4 Ų40.415%0.15121%0.214CC..THydrogen-bonded Turntrans-51.7-39.6178.6-168.7-174-62.9121.3-2.8113.7F145 Y150 V152 D304F145-R223 HydrophobicContact CD1-CG 4.26Å; Y150-R223 WeakPolarHBondContact O-CD 3.43Å; Y150-R223 PolarHBondContact O-NE 3.49Å; Y150-R223 VanDerWaalsContact O-NE 3.09Å; Y150-R223 PolarHBondContact O-NH1 2.89Å; V152-R223 PolarHBondContact O-NH1 3.06Å; V152-R223 VanDerWaalsContact O-NH1 3.08Å; V152-R223 PolarHBondContact O-NH2 2.57Å; R223-D304 IonicContact CZ-OD1 3.58Å; R223-D304 IonicContact CZ-OD2 2.77Å; R223-D304 IonicContact NE-OD1 2.68Å; R223-D304 PolarHBondContact NE-OD1 3.25Å; R223-D304 IonicContact NE-OD2 3.3Å; R223-D304 PolarHBondContact NE-OD2 3.42Å; R223-D304 IonicContact NH2-OD1 2.71Å; R223-D304 IonicContact NH2-OD2 2.82Å; R223-D304 PolarHBondContact NH2-OD2 3.36Å
224H87.3Confident95.7Very high119 Ų11939.9 Ų39.955%0.55121%0.212SC*.THydrogen-bonded Turntrans-114.553.6-179.9-58-76.6000111.8P222 P226P222-H224 VanDerWaalsContact C-N 3.26Å; P222-H224 PolarHBondContact O-N 2.82Å; H224-P226 WeakPolarHBondContact O-CD 3.38Å
225S89.2Confident95.8Very high23 Ų2338.7 Ų38.716%0.16120%0.199CC..  trans-91.3113-179.1-179.20000112.5P222 V227 L228P222-S225 WeakPolarHBondContact O-CB 3.42Å; P222-S225 PolarHBondContact O-N 2.75Å; S225-V227 PolarHBondContact O-N 3.41Å; S225-V227 PolarHBondContact OG-N 2.78Å; S225-L228 VanDerWaalsContact O-CB 3.29Å; S225-L228 WeakPolarHBondContact O-CB 3.21Å; S225-L228 PolarHBondContact O-N 3.23Å; S225-L228 VanDerWaalsContact O-N 3.09Å; S225-L228 PolarHBondContact OG-N 3.26Å
226P92.3Very high95.8Very high102 Ų10239.4 Ų39.466%0.66220%0.203SC*.Hα-helixtrans-67.4-21.6172.228.4-34.7000112.4H224 L228 A230H224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-L228 PolarHBondContact O-N 3.49Å; P226-A230 WeakPolarHBondContact O-CB 3.39Å; P226-A230 PolarHBondContact O-N 2.73Å; P226-A230 VanDerWaalsContact O-N 3.14Å
227V95.4Very high95.9Very high17 Ų1742.2 Ų42.210%0.10322%0.221CC..Hα-helixtrans-65.1-31172.5-177.80000110.9N207 R210 F211 S225 L231N207-V227 HydrophobicContact CB-CG1 4.25Å; N207-V227 WeakPolarHBondContact O-CG1 3.31Å; R210-V227 HydrophobicContact CB-CG1 3.62Å; R210-V227 HydrophobicContact CB-CG2 4.15Å; F211-V227 HydrophobicContact CB-CG1 4.48Å; S225-V227 PolarHBondContact O-N 3.41Å; S225-V227 PolarHBondContact OG-N 2.78Å; V227-L231 VanDerWaalsContact O-CB 3.23Å; V227-L231 WeakPolarHBondContact O-CB 3.46Å; V227-L231 PolarHBondContact O-N 3.21Å
228L95.7Very high95.9Very high8 Ų842.7 Ų42.74%0.04222%0.224CC..Hα-helixtrans-66-53178.5-177.165.9000111.5Y221 S225 P226 A230 L231 L232 F297 P310Y221-L228 HydrophobicContact CD2-CD1 4.3Å; Y221-L228 HydrophobicContact CD2-CD2 3.67Å; Y221-L228 HydrophobicContact CE2-CD2 3.77Å; Y221-L228 HydrophobicContact CG-CD1 4.25Å; Y221-L228 HydrophobicContact CG-CD2 4.41Å; S225-L228 VanDerWaalsContact O-CB 3.29Å; S225-L228 WeakPolarHBondContact O-CB 3.21Å; S225-L228 PolarHBondContact O-N 3.23Å; S225-L228 VanDerWaalsContact O-N 3.09Å; S225-L228 PolarHBondContact OG-N 3.26Å; P226-L228 PolarHBondContact O-N 3.49Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.35Å; L228-L231 PolarHBondContact O-N 3.47Å; L228-L232 HydrophobicContact CG-CD1 4.31Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 2.98Å; L228-F297 HydrophobicContact CD1-CE2 4.15Å; L228-F297 HydrophobicContact CD1-CZ 3.91Å; L228-F297 HydrophobicContact CD2-CZ 4.19Å; L228-F297 HydrophobicContact CG-CZ 4.29Å; L228-P310 HydrophobicContact CD1-CB 3.8Å; L228-P310 HydrophobicContact CD1-CG 3.43Å; L228-P310 VanDerWaalsContact CD1-CG 3.43Å
229D95Very high95.9Very high83 Ų8347 Ų4744%0.44424%0.24SC..Hα-helixtrans-65.3-33178.8-75.5-26.2000111.6K233 R301D229-K233 PolarHBondContact O-N 2.67Å; D229-K233 VanDerWaalsContact O-N 3.13Å; D229-R301 IonicContact OD1-NH1 2.66Å
230A96.9Very high96Very high29 Ų2946.8 Ų46.824%0.2424%0.239CC..Hα-helixtrans-66.9-42.7172.100000112.7N207 P226 L228 K233 D234N207-A230 HydrophobicContact CB-CB 4.39Å; N207-A230 WeakPolarHBondContact OD1-CB 3.48Å; P226-A230 WeakPolarHBondContact O-CB 3.39Å; P226-A230 PolarHBondContact O-N 2.73Å; P226-A230 VanDerWaalsContact O-N 3.14Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.35Å; A230-K233 WeakPolarHBondContact O-CB 3.29Å; A230-K233 PolarHBondContact O-N 2.9Å; A230-D234 PolarHBondContact O-N 2.92Å
231L98.2Very high96Very high5 Ų549.8 Ų49.83%0.02626%0.258CS..Hα-helixtrans-67-39.4176.7178.855.6000112.2N207 W208 F211 V227 L228 K233 D234 L235 P310 A372N207-L231 HydrophobicContact CB-CB 4.04Å; W208-L231 HydrophobicContact CB-CD1 3.97Å; F211-L231 HydrophobicContact CB-CD2 3.63Å; F211-L231 HydrophobicContact CD1-CD2 3.7Å; F211-L231 HydrophobicContact CG-CD2 3.72Å; V227-L231 VanDerWaalsContact O-CB 3.23Å; V227-L231 WeakPolarHBondContact O-CB 3.46Å; V227-L231 PolarHBondContact O-N 3.21Å; L228-L231 PolarHBondContact O-N 3.47Å; L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 3.16Å; L231-D234 PolarHBondContact O-N 2.99Å; L231-L235 HydrophobicContact CD1-CG 4.49Å; L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 2.94Å; L231-P310 HydrophobicContact CD2-CB 4.33Å; L231-P310 HydrophobicContact CD2-CG 4.11Å; L231-A372 HydrophobicContact CD2-CB 4.11Å; L231-A372 HydrophobicContact CG-CB 4.49Å
232L98.3Very high96Very high23 Ų2351.5 Ų51.512%0.1227%0.271CS..Hα-helixtrans-60.1-39.9173.1-68.7169.9000111.3L228 L235 V236 F297 P310 V311 A312L228-L232 HydrophobicContact CG-CD1 4.31Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 2.98Å; L232-L235 HydrophobicContact CD2-CD1 4.43Å; L232-V236 VanDerWaalsContact O-CG2 3.32Å; L232-V236 WeakPolarHBondContact O-CG2 3.17Å; L232-V236 PolarHBondContact O-N 2.97Å; L232-F297 HydrophobicContact CD1-CE1 3.75Å; L232-F297 HydrophobicContact CD1-CZ 3.97Å; L232-F297 HydrophobicContact CD2-CD1 4.31Å; L232-F297 HydrophobicContact CD2-CE1 3.6Å; L232-F297 HydrophobicContact CD2-CZ 4.1Å; L232-F297 HydrophobicContact CG-CE1 4.28Å; L232-F297 HydrophobicContact CG-CZ 4.5Å; L232-P310 HydrophobicContact CD2-CB 4.05Å; L232-V311 WeakPolarHBondContact CD2-O 3.31Å; L232-A312 HydrophobicContact CD2-CB 4.08Å
233K97.9Very high96.2Very high141 Ų14149 Ų4961%0.61325%0.254SS*.Hα-helixtrans-64.5-45.6172.2-174.1-174.9176.2-171.50111.9D229 A230 L231 L235 V236 T237D229-K233 PolarHBondContact O-N 2.67Å; D229-K233 VanDerWaalsContact O-N 3.13Å; A230-K233 WeakPolarHBondContact O-CB 3.29Å; A230-K233 PolarHBondContact O-N 2.9Å; L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 3.16Å; K233-L235 PolarHBondContact O-N 3.43Å; K233-V236 PolarHBondContact O-N 2.83Å; K233-V236 VanDerWaalsContact O-N 3.09Å; K233-T237 PolarHBondContact O-N 2.85Å; K233-T237 PolarHBondContact O-OG1 2.93Å
234D98.2Very high96.4Very high27 Ų2748.8 Ų48.814%0.14426%0.261CS..Hα-helixtrans-58-46.5178.3-75.1-1.9000111.9N207 A230 L231 V236 T237 Q238N207-D234 WeakPolarHBondContact CB-OD2 3.23Å; N207-D234 PolarHBondContact ND2-OD2 3.38Å; A230-D234 PolarHBondContact O-N 2.92Å; L231-D234 PolarHBondContact O-N 2.99Å; D234-V236 PolarHBondContact O-N 3.27Å; D234-T237 PolarHBondContact O-N 3.42Å; D234-Q238 WeakPolarHBondContact O-CB 3.46Å; D234-Q238 PolarHBondContact O-N 3.48Å
235L98.5Very high96.8Very high3 Ų344.4 Ų44.42%0.01624%0.241CC..Hα-helixtrans-53.5-40.1175.6-68.3167.6000111.6L231 L232 K233 F258 A264 A312 R314 L370 A372L231-L235 HydrophobicContact CD1-CG 4.49Å; L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 2.94Å; L232-L235 HydrophobicContact CD2-CD1 4.43Å; K233-L235 PolarHBondContact O-N 3.43Å; L235-F258 HydrophobicContact CD2-CE2 4.02Å; L235-F258 HydrophobicContact CD2-CZ 4.29Å; L235-A264 HydrophobicContact CD2-CB 3.64Å; L235-A312 HydrophobicContact CB-CB 4.19Å; L235-A312 HydrophobicContact CD1-CB 4.26Å; L235-R314 PolarHBondContact O-NH1 3.33Å; L235-L370 HydrophobicContact CB-CB 4.34Å; L235-L370 HydrophobicContact CD2-CB 4.21Å; L235-L370 WeakPolarHBondContact O-CD1 3.46Å; L235-A372 HydrophobicContact CD1-CB 4.29Å; L235-A372 HydrophobicContact CD2-CB 4.26Å
236V97.6Very high97Very high16 Ų1647.3 Ų47.310%0.09725%0.251CS..Hα-helixtrans-80.1-33.2-177.1173.30000113.4L232 K233 D234 A312 R515L232-V236 VanDerWaalsContact O-CG2 3.32Å; L232-V236 WeakPolarHBondContact O-CG2 3.17Å; L232-V236 PolarHBondContact O-N 2.97Å; K233-V236 PolarHBondContact O-N 2.83Å; K233-V236 VanDerWaalsContact O-N 3.09Å; D234-V236 PolarHBondContact O-N 3.27Å; V236-A312 HydrophobicContact CG2-CB 3.58Å; V236-R515 HydrophobicContact CG1-CG 3.84Å; V236-R515 VanDerWaalsContact CG1-CZ 3.44Å; V236-R515 VanDerWaalsContact CG1-NE 3.33Å
237T97.4Very high96.8Very high65 Ų6547.4 Ų47.440%0.39925%0.254SS..Hα-helixtrans-115.7-18.6-171.359.40000116.2K233 D234K233-T237 PolarHBondContact O-N 2.85Å; K233-T237 PolarHBondContact O-OG1 2.93Å; D234-T237 PolarHBondContact O-N 3.42Å
238Q98Very high95.9Very high47 Ų4750.6 Ų50.622%0.2229%0.29CS..SBendtrans-69.3139.7-176.2-164.9663.500110.8D234 I240 F258 R314D234-Q238 WeakPolarHBondContact O-CB 3.46Å; D234-Q238 PolarHBondContact O-N 3.48Å; Q238-I240 PolarHBondContact O-N 2.99Å; Q238-F258 HydrophobicContact CB-CB 4.27Å; Q238-F258 HydrophobicContact CB-CD1 4.09Å; Q238-F258 HydrophobicContact CB-CG 4.23Å; Q238-F258 HydrophobicContact CG-CB 3.7Å; Q238-F258 HydrophobicContact CG-CD1 4.4Å; Q238-F258 HydrophobicContact CG-CG 4.2Å; Q238-R314 PolarHBondContact O-NH1 3.31Å; Q238-R314 PolarHBondContact O-NH2 3.04Å
239R98.3Very high95.1Very high171 Ų17150.9 Ų50.965%0.64530%0.295SS*.PPolyproline II helixtrans-63126.5177.6-178.7176.7179.9-173.80.3110.4F258 Q259R239-F258 CarbonylContact O-C 3.6Å; R239-F258 VanDerWaalsContact O-CA 3.31Å; R239-F258 WeakPolarHBondContact O-CA 3.34Å; R239-Q259 HydrophobicContact CB-CB 4.29Å; R239-Q259 PolarHBondContact O-N 2.97Å
240I98.7Very high94.8Very high6 Ų650 Ų503%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-75.2132.1169.2-63.1158.5000107.9Q238 V243 M256 F258 V316 E321 V325Q238-I240 PolarHBondContact O-N 2.99Å; I240-V243 HydrophobicContact CG2-CG2 3.56Å; I240-M256 HydrophobicContact CD1-CE 4.35Å; I240-M256 HydrophobicContact CD1-SD 3.55Å; I240-M256 VanDerWaalsContact CD1-SD 3.55Å; I240-M256 HydrophobicContact CG1-SD 4.25Å; I240-M256 HydrophobicContact CG2-CB 4.46Å; I240-F258 HydrophobicContact CG1-CD1 3.88Å; I240-F258 HydrophobicContact CG1-CE1 3.71Å; I240-V316 HydrophobicContact CD1-CG1 4.43Å; I240-E321 HydrophobicContact CD1-CB 4.03Å; I240-E321 HydrophobicContact CD1-CG 4.49Å; I240-V325 HydrophobicContact CG2-CG2 4.38Å
241T98.1Very high94.7Very high63 Ų6348.7 Ų48.739%0.38728%0.282SS..EExtended strand (participates in β ladder)trans-119.3-21.2-176.350.40000113.5T257 F258 Q259T241-T257 PolarHBondContact N-O 2.85Å; T241-T257 PolarHBondContact OG1-O 3.18Å; T241-F258 PolarHBondContact OG1-O 2.88Å; T241-Q259 HydrophobicContact CG2-CB 3.77Å; T241-Q259 HydrophobicContact CG2-CG 4.43Å
242S98.3Very high94.5Very high41 Ų4148.6 Ų48.629%0.28728%0.281SS..EExtended strand (participates in β ladder)trans-152.9142.2173.8179.90000110.3T257 V325S242-T257 PolarHBondContact N-O 3.28Å; S242-T257 PolarHBondContact O-N 2.95Å; S242-V325 WeakPolarHBondContact CA-O 3.45Å
243V98.6Very high94.5Very high1 Ų148 Ų481%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-128.1138.6171.8-172.70000110.2I240 L254 I255 M256 E321 I322 V325 T326 L331I240-V243 HydrophobicContact CG2-CG2 3.56Å; V243-L254 HydrophobicContact CG1-CB 3.93Å; V243-L254 HydrophobicContact CG1-CD1 3.91Å; V243-L254 HydrophobicContact CG1-CG 4.45Å; V243-I255 WeakPolarHBondContact CA-O 3.38Å; V243-M256 HydrophobicContact CG1-CG 4.28Å; V243-M256 HydrophobicContact CG2-CE 4.47Å; V243-M256 HydrophobicContact CG2-CG 4.03Å; V243-E321 WeakPolarHBondContact CG2-O 3.05Å; V243-I322 HydrophobicContact CG1-CG2 4.2Å; V243-V325 HydrophobicContact CG2-CG2 3.94Å; V243-V325 PolarHBondContact N-O 3.46Å; V243-T326 WeakPolarHBondContact O-CA 3.46Å; V243-T326 WeakPolarHBondContact O-CB 3.44Å; V243-T326 PolarHBondContact O-OG1 2.88Å; V243-L331 HydrophobicContact CG1-CD2 4.17Å
244A97.3Very high94.5Very high35 Ų3541.2 Ų41.229%0.28925%0.248SC..EExtended strand (participates in β ladder)trans-136.8157.3172.900000110.3L254 I255A244-L254 WeakPolarHBondContact O-CA 3.42Å; A244-I255 PolarHBondContact N-O 3.21Å; A244-I255 PolarHBondContact O-N 2.81Å
245M95.5Very high94.5Very high26 Ų2641.8 Ų41.813%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-82.6139.1175.2-157.8-171.9-45.400111.4S247 L252 L254 D328 K330 L331 E348M245-S247 PolarHBondContact O-N 2.82Å; M245-L252 HydrophobicContact CG-CD1 3.97Å; M245-L252 HydrophobicContact SD-CD1 4.05Å; M245-L254 HydrophobicContact CB-CD2 4.38Å; M245-L254 HydrophobicContact CG-CD2 4.08Å; M245-D328 WeakPolarHBondContact CB-OD2 3.49Å; M245-D328 PolarHBondContact N-OD2 3.38Å; M245-D328 VanDerWaalsContact N-OD2 3.08Å; M245-K330 HydrophobicContact CE-CB 4.37Å; M245-L331 HydrophobicContact CB-CB 4.48Å; M245-L331 HydrophobicContact CE-CB 3.72Å; M245-L331 HydrophobicContact CE-CD1 4.1Å; M245-E348 HydrophobicContact CE-CB 3.89Å; M245-E348 HydrophobicContact SD-CB 3.78Å; M245-E348 PolarHBondContact SD-N 3.35Å
246K93.4Very high94.5Very high85 Ų8541.7 Ų41.737%0.3725%0.25SS..  trans-74.9115.9173.9-169-161.9170.1-690110.2K253 I255 L265K246-K253 HydrophobicContact CB-CB 4.14Å; K246-K253 WeakPolarHBondContact CB-O 3.3Å; K246-K253 PolarHBondContact N-O 2.79Å; K246-I255 HydrophobicContact CB-CD1 4.31Å; K246-I255 HydrophobicContact CB-CG1 4.13Å; K246-I255 HydrophobicContact CG-CD1 4.34Å; K246-L265 HydrophobicContact CD-CD1 4.23Å
247S86.9Confident94.5Very high104 Ų10442.3 Ų42.373%0.72725%0.254SS*.THydrogen-bonded Turntrans-62.3151.7172.659.10000113M245 G249M245-S247 PolarHBondContact O-N 2.82Å; S247-G249 PolarHBondContact O-N 2.87Å
248G77.8Confident94.6Very high84 Ų8439.6 Ų39.687%0.86624%0.237SC*.THydrogen-bonded Turntrans66.515.7177.100000115.3
249G78.6Confident94.5Very high14 Ų1442.7 Ų42.714%0.14425%0.251CS..  trans-75.4136.9174.900000112.5S247 Q251S247-G249 PolarHBondContact O-N 2.87Å; G249-Q251 VanDerWaalsContact C-N 3.27Å
250T87.8Confident94.2Very high64 Ų6435.9 Ų35.939%0.39323%0.228SC..SBendtrans-67.5-31.3169.147.20000111.9S350 Y351T250-S350 WeakPolarHBondContact CA-OG 3.24Å; T250-S350 PolarHBondContact O-OG 3.2Å; T250-Y351 WeakPolarHBondContact O-CA 3.33Å; T250-Y351 WeakPolarHBondContact O-CB 3.36Å; T250-Y351 PolarHBondContact O-N 3.42Å
251Q94.6Very high94.1Very high1 Ų140.7 Ų40.71%0.00525%0.246CC..SBendtrans-133.3163.5174.5-64.4-167.251.500110.4G249 K253 D286 E288 C349 Y352G249-Q251 VanDerWaalsContact C-N 3.27Å; Q251-K253 PolarHBondContact O-N 3.13Å; Q251-D286 PolarHBondContact NE2-O 2.98Å; Q251-E288 WeakPolarHBondContact CB-OE2 3.47Å; Q251-C349 VanDerWaalsContact C-SG 3.58Å; Q251-C349 VanDerWaalsContact CA-SG 3.58Å; Q251-Y352 HydrophobicContact CG-CD2 4.29Å
252L95.6Very high94Very high4 Ų437.8 Ų37.82%0.02123%0.229CC..  trans-59.5117.7-178-17162.5000112.4M245 L254 P268 F345 C349 L359M245-L252 HydrophobicContact CG-CD1 3.97Å; M245-L252 HydrophobicContact SD-CD1 4.05Å; L252-L254 HydrophobicContact CD1-CD2 3.97Å; L252-L254 HydrophobicContact CG-CD2 4.37Å; L252-P268 HydrophobicContact CD2-CG 4.48Å; L252-F345 HydrophobicContact CD2-CD2 4.4Å; L252-F345 HydrophobicContact CD2-CE2 3.82Å; L252-F345 HydrophobicContact CD2-CZ 4.25Å; L252-C349 PolarHBondContact N-SG 3.44Å; L252-L359 HydrophobicContact CD2-CD1 3.91Å
253K96.9Very high94Very high9 Ų938.3 Ų38.34%0.03923%0.227CC..  trans-132.2130.5172.2-59.1175.2-175.7-171.60107.5K246 Q251 L265 K267 E288 D460K246-K253 HydrophobicContact CB-CB 4.14Å; K246-K253 WeakPolarHBondContact CB-O 3.3Å; K246-K253 PolarHBondContact N-O 2.79Å; Q251-K253 PolarHBondContact O-N 3.13Å; K253-L265 HydrophobicContact CB-CD1 4.04Å; K253-L265 HydrophobicContact CD-CD2 4.39Å; K253-K267 HydrophobicContact CG-CD 4.5Å; K253-K267 HydrophobicContact CG-CG 4.33Å; K253-E288 WeakPolarHBondContact CE-OE1 3.43Å; K253-E288 WeakPolarHBondContact CE-OE2 3.24Å; K253-E288 IonicContact NZ-OE1 3.71Å; K253-E288 PolarHBondContact NZ-OE1 3.01Å; K253-E288 IonicContact NZ-OE2 3.58Å; K253-E288 PolarHBondContact NZ-OE2 3.16Å; K253-D460 IonicContact NZ-OD1 2.73Å; K253-D460 PolarHBondContact NZ-OD1 2.86Å; K253-D460 IonicContact NZ-OD2 3.73Å; K253-D460 PolarHBondContact NZ-OD2 2.69Å
254L98.2Very high94Very high0 Ų038.2 Ų38.20%023%0.226CC..EExtended strand (participates in β ladder)trans-104.9149.8175.3-50-176.7000110.3V243 A244 M245 L252 F266 I322 L331 F345V243-L254 HydrophobicContact CG1-CB 3.93Å; V243-L254 HydrophobicContact CG1-CD1 3.91Å; V243-L254 HydrophobicContact CG1-CG 4.45Å; A244-L254 WeakPolarHBondContact O-CA 3.42Å; M245-L254 HydrophobicContact CB-CD2 4.38Å; M245-L254 HydrophobicContact CG-CD2 4.08Å; L252-L254 HydrophobicContact CD1-CD2 3.97Å; L252-L254 HydrophobicContact CG-CD2 4.37Å; L254-F266 HydrophobicContact CB-CB 4.23Å; L254-F266 HydrophobicContact CB-CD1 4.37Å; L254-F266 HydrophobicContact CD1-CD1 4.07Å; L254-F266 HydrophobicContact CG-CD1 4.32Å; L254-F266 PolarHBondContact N-O 2.94Å; L254-F266 PolarHBondContact O-N 2.83Å; L254-I322 HydrophobicContact CD1-CD1 4.3Å; L254-I322 HydrophobicContact CD1-CG2 3.88Å; L254-L331 HydrophobicContact CD1-CD2 4.46Å; L254-L331 HydrophobicContact CD2-CD1 3.92Å; L254-L331 HydrophobicContact CD2-CD2 3.97Å; L254-F345 HydrophobicContact CD1-CE2 3.99Å; L254-F345 HydrophobicContact CD1-CZ 4.22Å
255I98.4Very high94Very high39 Ų3938 Ų3820%0.222%0.22CC..EExtended strand (participates in β ladder)trans-100.9114.3170-55.3-179.2000106.4V243 A244 K246 F373V243-I255 WeakPolarHBondContact CA-O 3.38Å; A244-I255 PolarHBondContact N-O 3.21Å; A244-I255 PolarHBondContact O-N 2.81Å; K246-I255 HydrophobicContact CB-CD1 4.31Å; K246-I255 HydrophobicContact CB-CG1 4.13Å; K246-I255 HydrophobicContact CG-CD1 4.34Å; I255-F373 HydrophobicContact CB-CZ 4.27Å; I255-F373 HydrophobicContact CD1-CZ 4.09Å; I255-F373 HydrophobicContact CG1-CZ 3.94Å; I255-F373 HydrophobicContact CG2-CE1 4.24Å; I255-F373 HydrophobicContact CG2-CE2 4.1Å; I255-F373 HydrophobicContact CG2-CZ 3.57Å
256M98.5Very high94.2Very high0 Ų036.8 Ų36.80%021%0.214CC..EExtended strand (participates in β ladder)trans-100.6128.4174.5-65.4-171.9167.700109.1I240 V243 Q263 A264 F266 V316 I322 L370I240-M256 HydrophobicContact CD1-CE 4.35Å; I240-M256 HydrophobicContact CD1-SD 3.55Å; I240-M256 VanDerWaalsContact CD1-SD 3.55Å; I240-M256 HydrophobicContact CG1-SD 4.25Å; I240-M256 HydrophobicContact CG2-CB 4.46Å; V243-M256 HydrophobicContact CG1-CG 4.28Å; V243-M256 HydrophobicContact CG2-CE 4.47Å; V243-M256 HydrophobicContact CG2-CG 4.03Å; M256-Q263 VanDerWaalsContact O-CA 3.31Å; M256-Q263 WeakPolarHBondContact O-CA 3.41Å; M256-A264 PolarHBondContact N-O 2.05Å; M256-A264 PolarHBondContact O-N 3.24Å; M256-F266 HydrophobicContact CE-CB 3.85Å; M256-F266 HydrophobicContact CE-CD1 3.52Å; M256-F266 HydrophobicContact CE-CD2 3.98Å; M256-F266 HydrophobicContact CE-CE1 3.95Å; M256-F266 HydrophobicContact CE-CE2 4.37Å; M256-F266 HydrophobicContact CE-CG 3.52Å; M256-F266 HydrophobicContact CE-CZ 4.36Å; M256-F266 HydrophobicContact CG-CB 3.99Å; M256-F266 HydrophobicContact SD-CB 3.82Å; M256-F266 HydrophobicContact SD-CD2 4.12Å; M256-F266 HydrophobicContact SD-CG 3.93Å; M256-V316 HydrophobicContact CE-CG1 4.14Å; M256-I322 HydrophobicContact CE-CD1 4.15Å; M256-I322 HydrophobicContact CE-CG1 4.03Å; M256-L370 HydrophobicContact CB-CD2 4.42Å; M256-L370 HydrophobicContact CG-CD2 4.38Å; M256-L370 HydrophobicContact SD-CD2 3.68Å
257T98.6Very high94.4Very high29 Ų2933 Ų3318%0.17820%0.198CC..EExtended strand (participates in β ladder)trans-105.8135.4172.1-51.30000108.8T241 S242 Q263T241-T257 PolarHBondContact N-O 2.85Å; T241-T257 PolarHBondContact OG1-O 3.18Å; S242-T257 PolarHBondContact N-O 3.28Å; S242-T257 PolarHBondContact O-N 2.95Å; T257-Q263 HydrophobicContact CG2-CG 4.12Å; T257-Q263 PolarHBondContact OG1-NE2 2.95Å
258F98.4Very high94.9Very high8 Ų828.1 Ų28.14%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-101.4163.8-177.5-59-65.8000112.3L235 Q238 R239 I240 T241 N260 Y261 G262 A264 L370L235-F258 HydrophobicContact CD2-CE2 4.02Å; L235-F258 HydrophobicContact CD2-CZ 4.29Å; Q238-F258 HydrophobicContact CB-CB 4.27Å; Q238-F258 HydrophobicContact CB-CD1 4.09Å; Q238-F258 HydrophobicContact CB-CG 4.23Å; Q238-F258 HydrophobicContact CG-CB 3.7Å; Q238-F258 HydrophobicContact CG-CD1 4.4Å; Q238-F258 HydrophobicContact CG-CG 4.2Å; R239-F258 CarbonylContact O-C 3.6Å; R239-F258 VanDerWaalsContact O-CA 3.31Å; R239-F258 WeakPolarHBondContact O-CA 3.34Å; I240-F258 HydrophobicContact CG1-CD1 3.88Å; I240-F258 HydrophobicContact CG1-CE1 3.71Å; T241-F258 PolarHBondContact OG1-O 2.88Å; F258-N260 WeakPolarHBondContact CB-OD1 3.47Å; F258-N260 PolarHBondContact O-N 2.03Å; F258-N260 VanDerWaalsContact O-N 3.12Å; F258-Y261 PolarHBondContact O-N 3.18Å; F258-G262 WeakPolarHBondContact CD2-O 3.29Å; F258-G262 PolarHBondContact N-O 2.82Å; F258-A264 HydrophobicContact CE2-CB 3.65Å; F258-A264 HydrophobicContact CZ-CB 3.88Å; F258-L370 HydrophobicContact CZ-CD1 4.15Å
259Q95.4Very high95.9Very high113 Ų11326.3 Ų26.353%0.52813%0.133SC..THydrogen-bonded Turntrans-58.4-23.3177-175.5176-7.400114.2R239 T241 Y261R239-Q259 HydrophobicContact CB-CB 4.29Å; R239-Q259 PolarHBondContact O-N 2.97Å; T241-Q259 HydrophobicContact CG2-CB 3.77Å; T241-Q259 HydrophobicContact CG2-CG 4.43Å; Q259-Y261 VanDerWaalsContact C-N 3.28Å; Q259-Y261 PolarHBondContact O-N 3.47Å
260N93.8Very high96.6Very high28 Ų2827.5 Ų27.515%0.1513%0.134CC..THydrogen-bonded Turntrans-91.120.6175.367.2-1.7000113.3W208 F258 G262W208-N260 PolarHBondContact NE1-O 3.14Å; F258-N260 WeakPolarHBondContact CB-OD1 3.47Å; F258-N260 PolarHBondContact O-N 2.03Å; F258-N260 VanDerWaalsContact O-N 3.12Å; N260-G262 PolarHBondContact O-N 2.89Å; N260-G262 PolarHBondContact OD1-N 3.27Å
261Y95.2Very high96.9Very high107 Ų10724.9 Ų24.942%0.4212%0.118SC..SBendtrans62.1-0.7-174.4-54.7-84.7000116.1P174 F258 Q259P174-Y261 HydrophobicContact CB-CD2 3.38Å; P174-Y261 HydrophobicContact CB-CE2 3.96Å; P174-Y261 HydrophobicContact CB-CG 3.78Å; P174-Y261 HydrophobicContact CG-CD2 4.44Å; F258-Y261 PolarHBondContact O-N 3.18Å; Q259-Y261 VanDerWaalsContact C-N 3.28Å; Q259-Y261 PolarHBondContact O-N 3.47Å
262G96.1Very high97Very high2 Ų227.8 Ų27.82%0.02114%0.135CC..  trans-65.8152.8173.800000111.8W208 F258 N260W208-G262 VanDerWaalsContact NE1-N 3.19Å; F258-G262 WeakPolarHBondContact CD2-O 3.29Å; F258-G262 PolarHBondContact N-O 2.82Å; N260-G262 PolarHBondContact O-N 2.89Å; N260-G262 PolarHBondContact OD1-N 3.27Å
263Q98.3Very high97.1Very high51 Ų5129.5 Ų29.524%0.23814%0.141CC..EExtended strand (participates in β ladder)trans-124.7149.1176.8-66-166.2-39.600112.1M256 T257 F373M256-Q263 VanDerWaalsContact O-CA 3.31Å; M256-Q263 WeakPolarHBondContact O-CA 3.41Å; T257-Q263 HydrophobicContact CG2-CG 4.12Å; T257-Q263 PolarHBondContact OG1-NE2 2.95Å; Q263-F373 HydrophobicContact CB-CB 4.13Å; Q263-F373 HydrophobicContact CB-CD1 4.18Å; Q263-F373 HydrophobicContact CB-CD2 3.7Å; Q263-F373 HydrophobicContact CB-CE2 4.14Å; Q263-F373 HydrophobicContact CB-CG 3.74Å; Q263-F373 WeakPolarHBondContact O-CB 3.38Å; Q263-F373 PolarHBondContact O-N 3.35Å
264A98.6Very high97Very high0 Ų034.7 Ų34.70%017%0.166CC..EExtended strand (participates in β ladder)trans-139.9148.1174.600000112.2L235 M256 F258 L370 A371L235-A264 HydrophobicContact CD2-CB 3.64Å; M256-A264 PolarHBondContact N-O 2.05Å; M256-A264 PolarHBondContact O-N 3.24Å; F258-A264 HydrophobicContact CE2-CB 3.65Å; F258-A264 HydrophobicContact CZ-CB 3.88Å; A264-L370 HydrophobicContact CB-CB 4.11Å; A264-L370 HydrophobicContact CB-CD2 3.85Å; A264-A371 CarbonylContact C-O 3.56Å; A264-A371 WeakPolarHBondContact CA-O 3.45Å; A264-A371 WeakPolarHBondContact CB-O 3.35Å
265L98.5Very high97Very high31 Ų3138.6 Ų38.616%0.16218%0.184CC..EExtended strand (participates in β ladder)trans-88.2109.9173.6-167.870.4000108.4K246 K253 A371 F373K246-L265 HydrophobicContact CD-CD1 4.23Å; K253-L265 HydrophobicContact CB-CD1 4.04Å; K253-L265 HydrophobicContact CD-CD2 4.39Å; L265-A371 HydrophobicContact CB-CB 4.42Å; L265-A371 PolarHBondContact N-O 3.04Å; L265-A371 PolarHBondContact O-N 3.08Å; L265-F373 HydrophobicContact CB-CD1 4.33Å; L265-F373 HydrophobicContact CB-CE1 3.86Å; L265-F373 HydrophobicContact CD1-CE1 4.3Å
266F98.6Very high96.9Very high0 Ų039.2 Ų39.20%019%0.186CC..EExtended strand (participates in β ladder)trans-88.8121.2176.3-177.3-112.3000110.6L254 M256 P268 V316 I322 I366 S369 L370L254-F266 HydrophobicContact CB-CB 4.23Å; L254-F266 HydrophobicContact CB-CD1 4.37Å; L254-F266 HydrophobicContact CD1-CD1 4.07Å; L254-F266 HydrophobicContact CG-CD1 4.32Å; L254-F266 PolarHBondContact N-O 2.94Å; L254-F266 PolarHBondContact O-N 2.83Å; M256-F266 HydrophobicContact CE-CB 3.85Å; M256-F266 HydrophobicContact CE-CD1 3.52Å; M256-F266 HydrophobicContact CE-CD2 3.98Å; M256-F266 HydrophobicContact CE-CE1 3.95Å; M256-F266 HydrophobicContact CE-CE2 4.37Å; M256-F266 HydrophobicContact CE-CG 3.52Å; M256-F266 HydrophobicContact CE-CZ 4.36Å; M256-F266 HydrophobicContact CG-CB 3.99Å; M256-F266 HydrophobicContact SD-CB 3.82Å; M256-F266 HydrophobicContact SD-CD2 4.12Å; M256-F266 HydrophobicContact SD-CG 3.93Å; F266-P268 HydrophobicContact CD1-CB 4.46Å; F266-P268 HydrophobicContact CE1-CB 3.74Å; F266-P268 HydrophobicContact CE1-CG 4.38Å; F266-P268 HydrophobicContact CZ-CB 4.18Å; F266-V316 HydrophobicContact CD2-CG2 4.47Å; F266-V316 HydrophobicContact CE2-CG2 3.66Å; F266-V316 HydrophobicContact CZ-CB 4.28Å; F266-V316 HydrophobicContact CZ-CG2 3.91Å; F266-I322 HydrophobicContact CE1-CD1 4.27Å; F266-I366 HydrophobicContact CZ-CG2 4.35Å; F266-S369 WeakPolarHBondContact CA-O 3.21Å; F266-L370 HydrophobicContact CB-CD2 3.73Å; F266-L370 HydrophobicContact CD2-CD2 3.71Å; F266-L370 HydrophobicContact CD2-CG 4.04Å; F266-L370 HydrophobicContact CG-CD2 4.18Å
267K98.3Very high96.9Very high5 Ų539.4 Ų39.42%0.02219%0.188CC..EExtended strand (participates in β ladder)trans-109.9113.4165.5-56.9-164-173.8-1800108.9K253 E288 H290 E293 G368 S369 D460K253-K267 HydrophobicContact CG-CD 4.5Å; K253-K267 HydrophobicContact CG-CG 4.33Å; K267-E288 HydrophobicContact CD-CB 4.49Å; K267-E288 IonicContact NZ-OE1 3.52Å; K267-E288 PolarHBondContact NZ-OE1 3.28Å; K267-H290 WeakPolarHBondContact O-CB 3.43Å; K267-E293 HydrophobicContact CD-CG 4.06Å; K267-E293 WeakPolarHBondContact CE-OE1 3.25Å; K267-E293 IonicContact NZ-OE1 3.6Å; K267-E293 PolarHBondContact NZ-OE1 3.47Å; K267-G368 CarbonylContact O-C 3.58Å; K267-G368 VanDerWaalsContact O-CA 3.22Å; K267-G368 WeakPolarHBondContact O-CA 3.25Å; K267-S369 PolarHBondContact N-O 2.81Å; K267-S369 PolarHBondContact O-N 3.17Å; K267-D460 IonicContact NZ-OD1 3.3Å; K267-D460 PolarHBondContact NZ-OD1 3.23Å
268P97.8Very high96.8Very high2 Ų240.3 Ų40.31%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-73.8163179.629.2-34.9000112.7L252 F266 K270 L359 I366L252-P268 HydrophobicContact CD2-CG 4.48Å; F266-P268 HydrophobicContact CD1-CB 4.46Å; F266-P268 HydrophobicContact CE1-CB 3.74Å; F266-P268 HydrophobicContact CE1-CG 4.38Å; F266-P268 HydrophobicContact CZ-CB 4.18Å; P268-K270 PolarHBondContact O-N 2.97Å; P268-L359 HydrophobicContact CB-CD1 3.71Å; P268-L359 HydrophobicContact CG-CD1 3.25Å; P268-I366 HydrophobicContact CB-CD1 4.04Å
269M97.5Very high96.6Very high46 Ų4645.1 Ų45.123%0.22723%0.226CC..  trans-61.9121.8170.7179.7-179.6-17000111.8Q271 T272 I366 E367M269-Q271 VanDerWaalsContact CE-O 3.28Å; M269-Q271 WeakPolarHBondContact CE-O 3.26Å; M269-T272 HydrophobicContact CE-CG2 4.41Å; M269-I366 HydrophobicContact CB-CG1 4.42Å; M269-E367 HydrophobicContact CB-CB 4.26Å; M269-E367 VanDerWaalsContact CB-O 3.29Å; M269-E367 WeakPolarHBondContact CB-O 3.41Å; M269-E367 PolarHBondContact N-O 3.29Å; M269-E367 HydrophobicContact SD-CB 4.31Å
270K94.4Very high96.6Very high39 Ų3946.3 Ų46.317%0.1724%0.236CC..  trans-110.2-21.8173.3-68.1-162.7170.3-159.80115.1P268 F287 L359P268-K270 PolarHBondContact O-N 2.97Å; K270-F287 HydrophobicContact CB-CB 4.37Å; K270-F287 HydrophobicContact CD-CB 4.35Å; K270-F287 HydrophobicContact CD-CD1 4Å; K270-L359 HydrophobicContact CG-CD2 4.13Å
271Q94.4Very high96.6Very high9 Ų948.5 Ų48.54%0.04224%0.244CC..SBendtrans-141.8156.8-175.5-68.1-175.3-74.100109.5M269 Q275 F287M269-Q271 VanDerWaalsContact CE-O 3.28Å; M269-Q271 WeakPolarHBondContact CE-O 3.26Å; Q271-Q275 VanDerWaalsContact NE2-NE2 3.17Å; Q271-F287 VanDerWaalsContact CD-CD2 3.47Å; Q271-F287 HydrophobicContact CG-CB 4.27Å; Q271-F287 HydrophobicContact CG-CD2 3.94Å; Q271-F287 HydrophobicContact CG-CG 4.25Å
272T95.7Very high96.5Very high62 Ų6247.4 Ų47.438%0.3824%0.242SC..  trans-76.6168.9175.283.10000111.8M269 E274 Q275M269-T272 HydrophobicContact CE-CG2 4.41Å; T272-E274 WeakPolarHBondContact CB-OE2 3.38Å; T272-E274 PolarHBondContact O-N 3.13Å; T272-E274 PolarHBondContact OG1-OE2 3.11Å; T272-Q275 PolarHBondContact O-N 3.25Å; T272-Q275 PolarHBondContact OG1-N 3.43Å
273R96.9Very high96.3Very high39 Ų3948.6 Ų48.615%0.14725%0.246CC..SBendtrans-69.8-22.8-178-67.4164.5164.179.84.7112.4E367 L516 P518 I521R273-E367 IonicContact CZ-OE2 3.95Å; R273-E367 IonicContact NH1-OE1 3.36Å; R273-E367 PolarHBondContact NH1-OE1 3.09Å; R273-E367 IonicContact NH1-OE2 3.21Å; R273-E367 PolarHBondContact NH1-OE2 3.36Å; R273-E367 IonicContact NH2-OE2 3.8Å; R273-E367 PolarHBondContact NH2-OE2 2.91Å; R273-L516 PolarHBondContact NH2-O 2.03Å; R273-P518 WeakPolarHBondContact CD-O 3.32Å; R273-P518 PolarHBondContact NE-O 3.34Å; R273-I521 HydrophobicContact CB-CG2 3.94Å; R273-I521 VanDerWaalsContact O-CD1 3.31Å; R273-I521 WeakPolarHBondContact O-CD1 3.4Å; R273-I521 WeakPolarHBondContact O-CG1 3.24Å
274E96.6Very high96Very high119 Ų11947.3 Ų47.356%0.55624%0.239SC*.SBendtrans-97.2-13-176.2-46.371.2-156.500112.9T272 E276T272-E274 WeakPolarHBondContact CB-OE2 3.38Å; T272-E274 PolarHBondContact O-N 3.13Å; T272-E274 PolarHBondContact OG1-OE2 3.11Å; E274-E276 PolarHBondContact O-N 3.33Å
275Q97Very high95.7Very high81 Ų8148.6 Ų48.638%0.37925%0.249SC..  trans-81.5105-176.3-176.3-176.4-1.300110.6Q271 T272 R289Q271-Q275 VanDerWaalsContact NE2-NE2 3.17Å; T272-Q275 PolarHBondContact O-N 3.25Å; T272-Q275 PolarHBondContact OG1-N 3.43Å; Q275-R289 VanDerWaalsContact O-CZ 3.29Å; Q275-R289 PolarHBondContact O-NH1 2.94Å; Q275-R289 PolarHBondContact O-NH2 3.31Å
276E97.5Very high95.5Very high52 Ų5247.9 Ų47.924%0.24325%0.245CC..PPolyproline II helixtrans-68.3146.2163.8-62.2-157.6-98.600110.9E274 G466 K467 H468 S469E274-E276 PolarHBondContact O-N 3.33Å; E276-G466 CarbonylContact C-O 3.49Å; E276-G466 WeakPolarHBondContact CA-O 3.32Å; E276-K467 VanDerWaalsContact OE2-CA 3.24Å; E276-K467 WeakPolarHBondContact OE2-CA 3.39Å; E276-H468 VanDerWaalsContact CD-ND1 3.3Å; E276-H468 IonicContact OE1-CE1 2.9Å; E276-H468 PolarHBondContact OE1-CE1 2.75Å; E276-H468 IonicContact OE1-ND1 3.64Å; E276-H468 PolarHBondContact OE1-ND1 2.84Å; E276-H468 IonicContact OE1-NE2 2.79Å; E276-H468 IonicContact OE2-CE1 3.95Å; E276-H468 IonicContact OE2-CG 3.98Å; E276-H468 PolarHBondContact OE2-N 3.01Å; E276-H468 IonicContact OE2-ND1 3.65Å; E276-H468 PolarHBondContact OE2-ND1 3.06Å; E276-S469 VanDerWaalsContact OE1-CB 3.27Å; E276-S469 WeakPolarHBondContact OE1-CB 3.32Å; E276-S469 PolarHBondContact OE1-OG 3.46Å; E276-S469 PolarHBondContact OE2-N 3.12Å; E276-S469 PolarHBondContact OE2-OG 2.93Å
277T96.8Very high95.4Very high5 Ų549.5 Ų49.53%0.03125%0.252CS..PPolyproline II helixtrans-67.2135.7169.7-65.70000108.9F281 D286 R289 G466 K467T277-F281 HydrophobicContact CG2-CB 3.78Å; T277-F281 HydrophobicContact CG2-CD2 4.2Å; T277-F281 HydrophobicContact CG2-CG 4.22Å; T277-D286 WeakPolarHBondContact CB-OD1 3.43Å; T277-D286 HydrophobicContact CG2-CB 4.35Å; T277-D286 VanDerWaalsContact CG2-CG 3.43Å; T277-D286 WeakPolarHBondContact CG2-OD1 3.45Å; T277-D286 PolarHBondContact OG1-OD1 3.31Å; T277-D286 PolarHBondContact OG1-OD2 2.93Å; T277-R289 PolarHBondContact OG1-NH2 2.96Å; T277-G466 PolarHBondContact N-O 3.16Å; T277-K467 WeakPolarHBondContact O-CE 3.46Å
278P96.5Very high95.3Very high47 Ų4749.8 Ų49.831%0.30525%0.253SS..PPolyproline II helixtrans-57.6154.5-177.5-26.935.6000114D280 F281 K467P278-D280 VanDerWaalsContact C-N 3.29Å; P278-D280 PolarHBondContact O-N 3.37Å; P278-F281 HydrophobicContact CB-CD1 3.74Å; P278-F281 HydrophobicContact CB-CE1 4.23Å; P278-F281 HydrophobicContact CB-CG 4.36Å; P278-F281 HydrophobicContact CG-CD1 3.77Å; P278-F281 HydrophobicContact CG-CE1 3.84Å; P278-F281 HydrophobicContact CG-CG 4.33Å; P278-F281 HydrophobicContact CG-CZ 4.45Å; P278-F281 PolarHBondContact O-N 2.91Å; P278-K467 VanDerWaalsContact O-CE 3.25Å; P278-K467 WeakPolarHBondContact O-CE 3.42Å; P278-K467 PolarHBondContact O-NZ 2.78Å
279P94.8Very high95.2Very high110 Ų11050.3 Ų50.371%0.71426%0.255SS*.THydrogen-bonded Turntrans-60.7-39.4175.224.7-33.2000111.9F281P279-F281 PolarHBondContact O-N 3.21Å
280D95.3Very high95.2Very high138 Ų13848.2 Ų48.274%0.73825%0.245SC*.THydrogen-bonded Turntrans-74.6-6.5-175.3-49.3-49.1000114.5P278 F282P278-D280 VanDerWaalsContact C-N 3.29Å; P278-D280 PolarHBondContact O-N 3.37Å; D280-F282 PolarHBondContact O-N 2.89Å
281F93.6Very high95.4Very high74 Ų7447 Ų4733%0.32524%0.24SC..  trans-78.5118.4178.4-90.147000110.6T277 P278 P279 S285 F287T277-F281 HydrophobicContact CG2-CB 3.78Å; T277-F281 HydrophobicContact CG2-CD2 4.2Å; T277-F281 HydrophobicContact CG2-CG 4.22Å; P278-F281 HydrophobicContact CB-CD1 3.74Å; P278-F281 HydrophobicContact CB-CE1 4.23Å; P278-F281 HydrophobicContact CB-CG 4.36Å; P278-F281 HydrophobicContact CG-CD1 3.77Å; P278-F281 HydrophobicContact CG-CE1 3.84Å; P278-F281 HydrophobicContact CG-CG 4.33Å; P278-F281 HydrophobicContact CG-CZ 4.45Å; P278-F281 PolarHBondContact O-N 2.91Å; P279-F281 PolarHBondContact O-N 3.21Å; F281-S285 VanDerWaalsContact CD2-O 3.31Å; F281-S285 WeakPolarHBondContact CD2-O 3.41Å; F281-F287 AromaticContact CE2-CE2 3.97Å; F281-F287 HydrophobicContact CE2-CE2 3.97Å
282F93.1Very high95.6Very high83 Ų8346.5 Ų46.536%0.36424%0.238SC..  trans-62.2145.3166.2-71-92.9000110.3D280 F284 S285 D286 K395D280-F282 PolarHBondContact O-N 2.89Å; F282-F284 VanDerWaalsContact C-N 3.27Å; F282-F284 HydrophobicContact CB-CD1 4.05Å; F282-F284 HydrophobicContact CB-CD2 4.4Å; F282-F284 HydrophobicContact CB-CE1 3.61Å; F282-F284 HydrophobicContact CB-CE2 3.98Å; F282-F284 HydrophobicContact CB-CG 4.42Å; F282-F284 HydrophobicContact CB-CZ 3.57Å; F282-F284 AromaticContact CD1-CE1 3.95Å; F282-F284 HydrophobicContact CD1-CE1 3.95Å; F282-F284 HydrophobicContact CD1-CZ 4.11Å; F282-F284 HydrophobicContact CD2-CZ 4.41Å; F282-F284 AromaticContact CG-CE1 3.96Å; F282-F284 HydrophobicContact CG-CE1 3.96Å; F282-F284 AromaticContact CG-CZ 3.78Å; F282-F284 HydrophobicContact CG-CZ 3.78Å; F282-F284 PolarHBondContact O-N 2.94Å; F282-F284 VanDerWaalsContact O-N 3.14Å; F282-S285 CarbonylContact O-C 3.59Å; F282-S285 WeakPolarHBondContact O-CA 3.41Å; F282-S285 WeakPolarHBondContact O-CB 3.39Å; F282-S285 PolarHBondContact O-N 3.1Å; F282-D286 PolarHBondContact O-N 3.19Å; F282-K395 HydrophobicContact CD1-CG 4.45Å; F282-K395 HydrophobicContact CD2-CD 4.49Å; F282-K395 HydrophobicContact CD2-CG 4.31Å; F282-K395 HydrophobicContact CE1-CB 4.05Å; F282-K395 HydrophobicContact CE1-CG 4.1Å; F282-K395 HydrophobicContact CE2-CB 4.4Å; F282-K395 HydrophobicContact CE2-CD 4.03Å; F282-K395 HydrophobicContact CE2-CG 3.95Å; F282-K395 HydrophobicContact CZ-CB 3.83Å; F282-K395 HydrophobicContact CZ-CD 4.3Å; F282-K395 HydrophobicContact CZ-CG 3.83Å
283Y91.8Very high95.8Very high28 Ų2844 Ų4411%0.1122%0.222CC..G310 helixtrans-47.8-43.9-178.848.1-87.6000114.1S285 D286 R391 S392 Y393 M439 R463Y283-S285 PolarHBondContact O-N 3.48Å; Y283-D286 WeakPolarHBondContact O-CB 3.43Å; Y283-D286 PolarHBondContact O-N 3.27Å; Y283-R391 HydrophobicContact CE1-CB 4.3Å; Y283-R391 HydrophobicContact CE2-CB 3.69Å; Y283-R391 HydrophobicContact CE2-CG 4.38Å; Y283-R391 WeakPolarHBondContact OH-CB 3.44Å; Y283-S392 PolarHBondContact OH-OG 3.22Å; Y283-Y393 HydrophobicContact CD2-CE1 4.12Å; Y283-Y393 HydrophobicContact CE2-CD1 4.03Å; Y283-Y393 HydrophobicContact CE2-CD2 4.2Å; Y283-Y393 AromaticContact CE2-CE1 3.9Å; Y283-Y393 HydrophobicContact CE2-CE1 3.9Å; Y283-Y393 HydrophobicContact CE2-CE2 4.05Å; Y283-Y393 HydrophobicContact CE2-CG 4.15Å; Y283-Y393 AromaticContact CE2-CZ 3.87Å; Y283-Y393 WeakPolarHBondContact OH-CA 3.48Å; Y283-Y393 PolarHBondContact OH-N 3.46Å; Y283-M439 VanDerWaalsContact CB-CB 3.49Å; Y283-M439 HydrophobicContact CD1-CE 3.95Å; Y283-M439 HydrophobicContact CG-CB 4.25Å; Y283-M439 HydrophobicContact CG-CE 4.41Å; Y283-R463 PolarHBondContact O-NH1 3.02Å
284F92Very high95.9Very high23 Ų2342.1 Ų42.110%0.10122%0.215CC..G310 helixtrans-70-17179.157.9-104000114.2F282 Y393 K395 R463F282-F284 VanDerWaalsContact C-N 3.27Å; F282-F284 HydrophobicContact CB-CD1 4.05Å; F282-F284 HydrophobicContact CB-CD2 4.4Å; F282-F284 HydrophobicContact CB-CE1 3.61Å; F282-F284 HydrophobicContact CB-CE2 3.98Å; F282-F284 HydrophobicContact CB-CG 4.42Å; F282-F284 HydrophobicContact CB-CZ 3.57Å; F282-F284 AromaticContact CD1-CE1 3.95Å; F282-F284 HydrophobicContact CD1-CE1 3.95Å; F282-F284 HydrophobicContact CD1-CZ 4.11Å; F282-F284 HydrophobicContact CD2-CZ 4.41Å; F282-F284 AromaticContact CG-CE1 3.96Å; F282-F284 HydrophobicContact CG-CE1 3.96Å; F282-F284 AromaticContact CG-CZ 3.78Å; F282-F284 HydrophobicContact CG-CZ 3.78Å; F282-F284 PolarHBondContact O-N 2.94Å; F282-F284 VanDerWaalsContact O-N 3.14Å; F284-Y393 HydrophobicContact CB-CD1 3.67Å; F284-Y393 HydrophobicContact CB-CE1 3.89Å; F284-Y393 HydrophobicContact CD1-CD1 4.33Å; F284-Y393 HydrophobicContact CG-CD1 4.33Å; F284-K395 HydrophobicContact CZ-CG 3.94Å; F284-R463 PolarHBondContact O-NH1 2.98Å; F284-R463 PolarHBondContact O-NH2 3.34Å
285S93.1Very high96Very high28 Ų2836.4 Ų36.420%0.19619%0.188CC..G310 helixtrans-99.31.6176.1-64.90000113.7F281 F282 Y283 Y352F281-S285 VanDerWaalsContact CD2-O 3.31Å; F281-S285 WeakPolarHBondContact CD2-O 3.41Å; F282-S285 CarbonylContact O-C 3.59Å; F282-S285 WeakPolarHBondContact O-CA 3.41Å; F282-S285 WeakPolarHBondContact O-CB 3.39Å; F282-S285 PolarHBondContact O-N 3.1Å; Y283-S285 PolarHBondContact O-N 3.48Å; S285-Y352 PolarHBondContact O-OH 2.8Å
286D94.4Very high96.1Very high16 Ų1632.6 Ų32.69%0.08617%0.17CC..SBendtrans-64162.7171-153.7-10000111.2Q251 T277 F282 Y283 R463Q251-D286 PolarHBondContact NE2-O 2.98Å; T277-D286 WeakPolarHBondContact CB-OD1 3.43Å; T277-D286 HydrophobicContact CG2-CB 4.35Å; T277-D286 VanDerWaalsContact CG2-CG 3.43Å; T277-D286 WeakPolarHBondContact CG2-OD1 3.45Å; T277-D286 PolarHBondContact OG1-OD1 3.31Å; T277-D286 PolarHBondContact OG1-OD2 2.93Å; F282-D286 PolarHBondContact O-N 3.19Å; Y283-D286 WeakPolarHBondContact O-CB 3.43Å; Y283-D286 PolarHBondContact O-N 3.27Å; D286-R463 VanDerWaalsContact C-NH1 3.3Å; D286-R463 VanDerWaalsContact N-NH1 3.2Å; D286-R463 PolarHBondContact O-NH1 2.5Å
287F95.4Very high96.2Very high33 Ų3330.1 Ų30.115%0.14516%0.159CC..PPolyproline II helixtrans-87.3148172.7-63-79.4000110.9K270 Q271 F281 Y352K270-F287 HydrophobicContact CB-CB 4.37Å; K270-F287 HydrophobicContact CD-CB 4.35Å; K270-F287 HydrophobicContact CD-CD1 4Å; Q271-F287 VanDerWaalsContact CD-CD2 3.47Å; Q271-F287 HydrophobicContact CG-CB 4.27Å; Q271-F287 HydrophobicContact CG-CD2 3.94Å; Q271-F287 HydrophobicContact CG-CG 4.25Å; F281-F287 AromaticContact CE2-CE2 3.97Å; F281-F287 HydrophobicContact CE2-CE2 3.97Å; F287-Y352 AromaticContact CD1-CD2 3.76Å; F287-Y352 HydrophobicContact CD1-CD2 3.76Å; F287-Y352 HydrophobicContact CD1-CE2 4.1Å; F287-Y352 HydrophobicContact CD1-CG 4.09Å; F287-Y352 AromaticContact CE1-CD1 3.78Å; F287-Y352 HydrophobicContact CE1-CD1 3.78Å; F287-Y352 AromaticContact CE1-CD2 3.65Å; F287-Y352 HydrophobicContact CE1-CD2 3.65Å; F287-Y352 HydrophobicContact CE1-CE1 4.08Å; F287-Y352 AromaticContact CE1-CE2 3.97Å; F287-Y352 HydrophobicContact CE1-CE2 3.97Å; F287-Y352 AromaticContact CE1-CG 3.56Å; F287-Y352 HydrophobicContact CE1-CG 3.56Å; F287-Y352 HydrophobicContact CZ-CD1 4.36Å; F287-Y352 HydrophobicContact CZ-CE1 4.35Å
288E96.3Very high96.3Very high11 Ų1130.2 Ų30.25%0.05116%0.159CC..PPolyproline II helixtrans-77.9129.3164.2-72.3-176.9117.700110.3Q251 K253 K267 G462 R463Q251-E288 WeakPolarHBondContact CB-OE2 3.47Å; K253-E288 WeakPolarHBondContact CE-OE1 3.43Å; K253-E288 WeakPolarHBondContact CE-OE2 3.24Å; K253-E288 IonicContact NZ-OE1 3.71Å; K253-E288 PolarHBondContact NZ-OE1 3.01Å; K253-E288 IonicContact NZ-OE2 3.58Å; K253-E288 PolarHBondContact NZ-OE2 3.16Å; K267-E288 HydrophobicContact CD-CB 4.49Å; K267-E288 IonicContact NZ-OE1 3.52Å; K267-E288 PolarHBondContact NZ-OE1 3.28Å; E288-G462 WeakPolarHBondContact CA-O 3.3Å; E288-R463 HydrophobicContact CG-CG 4.34Å
289R96.3Very high96.4Very high14 Ų1428 Ų285%0.05314%0.144CC..  trans-112123.8-175.3-60.8173.7176.3-117.45110.6Q275 T277 N291 A292 E293 G462 G466Q275-R289 VanDerWaalsContact O-CZ 3.29Å; Q275-R289 PolarHBondContact O-NH1 2.94Å; Q275-R289 PolarHBondContact O-NH2 3.31Å; T277-R289 PolarHBondContact OG1-NH2 2.96Å; R289-N291 VanDerWaalsContact C-N 3.32Å; R289-N291 PolarHBondContact O-N 2.9Å; R289-A292 HydrophobicContact CB-CB 4.01Å; R289-A292 WeakPolarHBondContact O-CB 3.48Å; R289-A292 PolarHBondContact O-N 3.27Å; R289-E293 PolarHBondContact O-N 3.13Å; R289-G462 PolarHBondContact N-O 3.15Å; R289-G466 PolarHBondContact NH2-O 2.89Å
290H98.4Very high96.6Very high1 Ų122.7 Ų22.71%0.00511%0.11CC..Hα-helixtrans-51.9-46171.868.7-55.9000113.8K267 A292 E293 I294 E367 S369K267-H290 WeakPolarHBondContact O-CB 3.43Å; H290-A292 PolarHBondContact O-N 3.42Å; H290-A292 VanDerWaalsContact O-N 3.14Å; H290-E293 PolarHBondContact O-N 3.29Å; H290-E293 VanDerWaalsContact O-N 3.15Å; H290-I294 PolarHBondContact O-N 3.1Å; H290-E367 IonicContact NE2-OE2 2.64Å; H290-S369 WeakPolarHBondContact CA-OG 3.46Å; H290-S369 WeakPolarHBondContact O-CB 3.49Å
291N98.6Very high96.7Very high13 Ų1317.1 Ų17.17%0.078%0.079CC..Hα-helixtrans-54.3-33.1175.8-68.2-26.8000113.4R289 A295 V519R289-N291 VanDerWaalsContact C-N 3.32Å; R289-N291 PolarHBondContact O-N 2.9Å; N291-A295 WeakPolarHBondContact O-CB 3.16Å; N291-A295 PolarHBondContact O-N 3.2Å; N291-V519 HydrophobicContact CB-CG1 4.04Å; N291-V519 WeakPolarHBondContact CB-O 3.36Å; N291-V519 PolarHBondContact OD1-O 3.18Å
292A98.7Very high96.9Very high0 Ų013.6 Ų13.60%06%0.063CC..Hα-helixtrans-75.9-34-178.200000112.7R289 H290 A296 G464 F465R289-A292 HydrophobicContact CB-CB 4.01Å; R289-A292 WeakPolarHBondContact O-CB 3.48Å; R289-A292 PolarHBondContact O-N 3.27Å; H290-A292 PolarHBondContact O-N 3.42Å; H290-A292 VanDerWaalsContact O-N 3.14Å; A292-A296 WeakPolarHBondContact O-CB 3.48Å; A292-A296 PolarHBondContact O-N 2.96Å; A292-G464 WeakPolarHBondContact CB-O 3.21Å; A292-F465 HydrophobicContact CB-CB 4.43Å; A292-F465 HydrophobicContact CB-CD2 3.97Å
293E98.8Very high97.2Very high8 Ų89.7 Ų9.74%0.0375%0.046CC..Hα-helixtrans-67.8-42.1172.7-61.2-66.7178.500111.7K267 R289 H290 A296 F297 V311 N461 G462K267-E293 HydrophobicContact CD-CG 4.06Å; K267-E293 WeakPolarHBondContact CE-OE1 3.25Å; K267-E293 IonicContact NZ-OE1 3.6Å; K267-E293 PolarHBondContact NZ-OE1 3.47Å; R289-E293 PolarHBondContact O-N 3.13Å; H290-E293 PolarHBondContact O-N 3.29Å; H290-E293 VanDerWaalsContact O-N 3.15Å; E293-A296 PolarHBondContact O-N 3.17Å; E293-F297 PolarHBondContact O-N 3.01Å; E293-V311 HydrophobicContact CB-CG1 4.01Å; E293-N461 VanDerWaalsContact CD-N 3.35Å; E293-N461 PolarHBondContact OE1-N 3.41Å; E293-N461 WeakPolarHBondContact OE2-CB 3.49Å; E293-N461 PolarHBondContact OE2-N 3.4Å; E293-N461 PolarHBondContact OE2-ND2 3.47Å; E293-G462 VanDerWaalsContact CD-N 3.25Å; E293-G462 WeakPolarHBondContact OE1-CA 3.26Å; E293-G462 PolarHBondContact OE1-N 2.91Å
294I98.9Very high97.5Very high0 Ų08.7 Ų8.70%04%0.043CC..Hα-helixtrans-64.7-50.3177.5-57.8159.9000109.6H290 A296 F297 H298 V311 L511 D514 L516 V519H290-I294 PolarHBondContact O-N 3.1Å; I294-A296 VanDerWaalsContact C-N 3.32Å; I294-A296 PolarHBondContact O-N 3.12Å; I294-F297 PolarHBondContact O-N 3.47Å; I294-H298 PolarHBondContact O-CD2 2.88Å; I294-H298 VanDerWaalsContact O-CD2 3.24Å; I294-H298 PolarHBondContact O-N 2.91Å; I294-H298 VanDerWaalsContact O-N 3.16Å; I294-V311 HydrophobicContact CB-CG1 4.49Å; I294-V311 HydrophobicContact CG1-CG1 3.85Å; I294-L511 HydrophobicContact CG2-CD2 4.07Å; I294-D514 HydrophobicContact CG2-CB 4.49Å; I294-L516 HydrophobicContact CD1-CD1 4.22Å; I294-V519 HydrophobicContact CB-CG1 3.91Å; I294-V519 HydrophobicContact CD1-CG1 4.34Å; I294-V519 HydrophobicContact CG2-CG1 3.92Å; I294-V519 HydrophobicContact CG2-CG2 4.16Å
295A98.9Very high97.8Very high0 Ų08.2 Ų8.20%04%0.04CC..Hα-helixtrans-64.1-34.4178.100000113.2N291 H298 L299 F465 M507 L520N291-A295 WeakPolarHBondContact O-CB 3.16Å; N291-A295 PolarHBondContact O-N 3.2Å; A295-H298 PolarHBondContact O-N 3.35Å; A295-L299 VanDerWaalsContact O-CB 3.29Å; A295-L299 WeakPolarHBondContact O-CB 3.38Å; A295-L299 PolarHBondContact O-N 3.3Å; A295-F465 HydrophobicContact CB-CD2 3.97Å; A295-F465 HydrophobicContact CB-CE2 3.49Å; A295-F465 VanDerWaalsContact CB-CE2 3.49Å; A295-F465 HydrophobicContact CB-CZ 3.88Å; A295-M507 HydrophobicContact CB-CE 4.29Å; A295-L520 HydrophobicContact CB-CD1 3.83Å; A295-L520 HydrophobicContact CB-CD2 3.97Å; A295-L520 HydrophobicContact CB-CG 3.91Å
296A98.9Very high98.1Very high0 Ų07.6 Ų7.60%03%0.034CC..Hα-helixtrans-59.3-49.3174.100000111.7A292 E293 I294 H298 L299 D300 F432 M436 N461A292-A296 WeakPolarHBondContact O-CB 3.48Å; A292-A296 PolarHBondContact O-N 2.96Å; E293-A296 PolarHBondContact O-N 3.17Å; I294-A296 VanDerWaalsContact C-N 3.32Å; I294-A296 PolarHBondContact O-N 3.12Å; A296-H298 PolarHBondContact O-N 3.13Å; A296-L299 PolarHBondContact O-N 3.22Å; A296-D300 WeakPolarHBondContact O-CB 3.42Å; A296-D300 PolarHBondContact O-N 2.98Å; A296-F432 HydrophobicContact CB-CZ 3.84Å; A296-F432 WeakPolarHBondContact O-CE2 3.33Å; A296-F432 WeakPolarHBondContact O-CZ 3.39Å; A296-M436 HydrophobicContact CB-CE 4Å; A296-N461 HydrophobicContact CB-CB 3.48Å; A296-N461 VanDerWaalsContact CB-CB 3.48Å
297F98.9Very high98.3Very high0 Ų07.6 Ų7.60%03%0.033CC..Hα-helixtrans-60.7-43.5176.9165.5-113.7000112.4Y221 L228 L232 E293 I294 L299 R301 V308 P310 V311Y221-F297 HydrophobicContact CE1-CE2 4.06Å; Y221-F297 HydrophobicContact CE2-CE2 4.49Å; Y221-F297 AromaticContact CZ-CE2 3.8Å; L228-F297 HydrophobicContact CD1-CE2 4.15Å; L228-F297 HydrophobicContact CD1-CZ 3.91Å; L228-F297 HydrophobicContact CD2-CZ 4.19Å; L228-F297 HydrophobicContact CG-CZ 4.29Å; L232-F297 HydrophobicContact CD1-CE1 3.75Å; L232-F297 HydrophobicContact CD1-CZ 3.97Å; L232-F297 HydrophobicContact CD2-CD1 4.31Å; L232-F297 HydrophobicContact CD2-CE1 3.6Å; L232-F297 HydrophobicContact CD2-CZ 4.1Å; L232-F297 HydrophobicContact CG-CE1 4.28Å; L232-F297 HydrophobicContact CG-CZ 4.5Å; E293-F297 PolarHBondContact O-N 3.01Å; I294-F297 PolarHBondContact O-N 3.47Å; F297-L299 PolarHBondContact O-N 3.09Å; F297-R301 WeakPolarHBondContact O-CB 3.38Å; F297-R301 PolarHBondContact O-N 2.94Å; F297-R301 VanDerWaalsContact O-N 3.09Å; F297-V308 HydrophobicContact CB-CB 4.4Å; F297-V308 HydrophobicContact CB-CG1 3.84Å; F297-P310 HydrophobicContact CE2-CB 4.35Å; F297-P310 HydrophobicContact CZ-CB 4.41Å; F297-V311 HydrophobicContact CB-CB 3.99Å; F297-V311 HydrophobicContact CB-CG2 3.93Å; F297-V311 HydrophobicContact CD1-CB 4.49Å; F297-V311 VanDerWaalsContact CD1-O 3.31Å; F297-V311 WeakPolarHBondContact CD1-O 3.38Å; F297-V311 HydrophobicContact CG-CB 4.41Å
298H98.8Very high98.5Very high7 Ų76 Ų63%0.0323%0.026CC..Hα-helixtrans-67.3-36.2177.8-77.3-116.6000112.9I294 A295 A296 I302 M507 S510 L511I294-H298 PolarHBondContact O-CD2 2.88Å; I294-H298 VanDerWaalsContact O-CD2 3.24Å; I294-H298 PolarHBondContact O-N 2.91Å; I294-H298 VanDerWaalsContact O-N 3.16Å; A295-H298 PolarHBondContact O-N 3.35Å; A296-H298 PolarHBondContact O-N 3.13Å; H298-I302 VanDerWaalsContact O-CG1 3.29Å; H298-I302 WeakPolarHBondContact O-CG1 3.45Å; H298-I302 PolarHBondContact O-N 3.5Å; H298-I302 VanDerWaalsContact O-N 3.13Å; H298-M507 HydrophobicContact CB-CE 4.32Å; H298-S510 PolarHBondContact CE1-O 3.05Å; H298-S510 VanDerWaalsContact ND1-C 3.34Å; H298-S510 PolarHBondContact ND1-O 3.43Å; H298-S510 VanDerWaalsContact ND1-O 3.09Å; H298-S510 PolarHBondContact ND1-OG 3.05Å; H298-L511 HydrophobicContact CB-CD2 3.9Å; H298-L511 HydrophobicContact CB-CG 4.33Å
299L98.9Very high98.6Very high0 Ų06 Ų60%03%0.026CC..Hα-helixtrans-68.9-45.6175.2172.360.5000112A295 A296 F297 R301 I302 L303 F432 L435 L503 M507 M528A295-L299 VanDerWaalsContact O-CB 3.29Å; A295-L299 WeakPolarHBondContact O-CB 3.38Å; A295-L299 PolarHBondContact O-N 3.3Å; A296-L299 PolarHBondContact O-N 3.22Å; F297-L299 PolarHBondContact O-N 3.09Å; L299-R301 VanDerWaalsContact C-N 3.25Å; L299-R301 PolarHBondContact O-N 2.81Å; L299-I302 PolarHBondContact O-N 2.83Å; L299-L303 HydrophobicContact CD1-CD1 3.75Å; L299-L303 HydrophobicContact CD1-CG 3.93Å; L299-L303 HydrophobicContact CG-CD1 3.88Å; L299-L303 HydrophobicContact CG-CG 4.46Å; L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.26Å; L299-F432 HydrophobicContact CB-CE2 4.08Å; L299-F432 HydrophobicContact CD2-CD2 3.82Å; L299-F432 HydrophobicContact CD2-CE2 3.81Å; L299-F432 HydrophobicContact CG-CD2 3.94Å; L299-F432 HydrophobicContact CG-CE2 3.81Å; L299-L435 HydrophobicContact CD1-CD1 4.35Å; L299-L435 HydrophobicContact CD2-CB 4.04Å; L299-L503 HydrophobicContact CD1-CD1 4.05Å; L299-M507 HydrophobicContact CB-CE 4.12Å; L299-M507 HydrophobicContact CB-SD 3.81Å; L299-M507 HydrophobicContact CD1-SD 4.31Å; L299-M528 HydrophobicContact CB-CE 4.38Å; L299-M528 HydrophobicContact CD1-CE 3.64Å; L299-M528 HydrophobicContact CD2-CE 3.87Å; L299-M528 HydrophobicContact CG-CE 4.16Å
300D98.9Very high98.7Very high0 Ų05.3 Ų5.30%02%0.024CC..Hα-helixtrans-59-37.4177.8177.885.4000111.9Y221 A296 D304 F305 R306 R307 V308 F432 H458Y221-D300 PolarHBondContact OH-OD2 2.9Å; A296-D300 WeakPolarHBondContact O-CB 3.42Å; A296-D300 PolarHBondContact O-N 2.98Å; D300-D304 PolarHBondContact O-N 2.87Å; D300-F305 PolarHBondContact O-N 3.47Å; D300-F305 WeakPolarHBondContact OD1-CB 3.08Å; D300-R306 PolarHBondContact O-N 3.08Å; D300-R306 VanDerWaalsContact OD2-CA 3.29Å; D300-R306 WeakPolarHBondContact OD2-CA 3.35Å; D300-R306 PolarHBondContact OD2-N 2.92Å; D300-R307 WeakPolarHBondContact OD1-CB 3.27Å; D300-R307 PolarHBondContact OD1-N 3.42Å; D300-R307 PolarHBondContact OD2-N 3.3Å; D300-V308 HydrophobicContact CB-CB 3.99Å; D300-V308 HydrophobicContact CB-CG2 3.49Å; D300-V308 VanDerWaalsContact CB-CG2 3.49Å; D300-V308 PolarHBondContact OD1-N 3.41Å; D300-V308 PolarHBondContact OD2-N 2.98Å; D300-F432 HydrophobicContact CB-CE2 3.76Å; D300-F432 HydrophobicContact CB-CZ 4.05Å; D300-H458 IonicContact OD1-CE1 3.43Å; D300-H458 IonicContact OD1-CG 2.68Å; D300-H458 IonicContact OD1-ND1 3.21Å; D300-H458 PolarHBondContact OD1-ND1 2.87Å
301R98.3Very high98.7Very high20 Ų205.3 Ų5.38%0.0752%0.024CC..Hα-helixtrans-69.9-37.2172.1-170.3172.964.7177.3-3.3113.2F145 Y221 D229 F297 L299 D304 S510F145-R301 HydrophobicContact CZ-CG 4.28Å; Y221-R301 HydrophobicContact CE2-CG 4.4Å; D229-R301 IonicContact OD1-NH1 2.66Å; F297-R301 WeakPolarHBondContact O-CB 3.38Å; F297-R301 PolarHBondContact O-N 2.94Å; F297-R301 VanDerWaalsContact O-N 3.09Å; L299-R301 VanDerWaalsContact C-N 3.25Å; L299-R301 PolarHBondContact O-N 2.81Å; R301-D304 PolarHBondContact O-N 3.43Å; R301-S510 PolarHBondContact NH2-OG 2.99Å
302I98.6Very high98.7Very high0 Ų04.9 Ų4.90%02%0.022CC..Hα-helixtrans-74.2-30.1178.6-73.5170.3000112.3L141 L144 Y150 H298 L299 D304 L496 L503 L506 M507L141-I302 HydrophobicContact CD1-CD1 4.2Å; L141-I302 HydrophobicContact CD1-CG1 4.07Å; L144-I302 HydrophobicContact CD2-CG2 4.06Å; Y150-I302 WeakPolarHBondContact CE1-O 3.34Å; Y150-I302 PolarHBondContact OH-O 3.41Å; H298-I302 VanDerWaalsContact O-CG1 3.29Å; H298-I302 WeakPolarHBondContact O-CG1 3.45Å; H298-I302 PolarHBondContact O-N 3.5Å; H298-I302 VanDerWaalsContact O-N 3.13Å; L299-I302 PolarHBondContact O-N 2.83Å; I302-D304 PolarHBondContact O-N 2.9Å; I302-L496 HydrophobicContact CG2-CD1 4.4Å; I302-L496 HydrophobicContact CG2-CD2 3.83Å; I302-L503 HydrophobicContact CG2-CD1 3.84Å; I302-L506 HydrophobicContact CD1-CB 4.07Å; I302-L506 HydrophobicContact CG2-CB 4.44Å; I302-L506 HydrophobicContact CG2-CD1 4.45Å; I302-M507 HydrophobicContact CD1-CG 4.18Å; I302-M507 HydrophobicContact CD1-SD 3.73Å
303L98.7Very high98.7Very high2 Ų24.9 Ų4.91%0.012%0.022CC..THydrogen-bonded Turntrans-76.2-3.7170.6-67.8169000113.2L299 F305 F432 L435 R492 L493 L496L299-L303 HydrophobicContact CD1-CD1 3.75Å; L299-L303 HydrophobicContact CD1-CG 3.93Å; L299-L303 HydrophobicContact CG-CD1 3.88Å; L299-L303 HydrophobicContact CG-CG 4.46Å; L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.26Å; L303-F305 HydrophobicContact CB-CD1 4.14Å; L303-F305 HydrophobicContact CB-CD2 3.79Å; L303-F305 HydrophobicContact CB-CE1 4.25Å; L303-F305 HydrophobicContact CB-CE2 3.92Å; L303-F305 HydrophobicContact CB-CG 3.91Å; L303-F305 HydrophobicContact CB-CZ 4.16Å; L303-F305 HydrophobicContact CD1-CD2 3.91Å; L303-F305 HydrophobicContact CD1-CE2 3.59Å; L303-F305 HydrophobicContact CD1-CZ 4.27Å; L303-F305 HydrophobicContact CG-CE2 4.32Å; L303-F305 PolarHBondContact O-N 2.9Å; L303-F432 HydrophobicContact CD1-CD2 3.99Å; L303-L435 HydrophobicContact CD1-CD1 4.04Å; L303-L435 HydrophobicContact CD2-CD1 4.22Å; L303-R492 VanDerWaalsContact O-CD 3.3Å; L303-R492 WeakPolarHBondContact O-CD 3.24Å; L303-L493 HydrophobicContact CD2-CD2 3.98Å; L303-L496 HydrophobicContact CD2-CD1 3.78Å
304D98.4Very high98.7Very high7 Ų75.1 Ų5.14%0.0372%0.023CC..THydrogen-bonded Turntrans60.522.9-174-152.837.6000114.1Y150 R223 D300 R301 I302 R306 R492Y150-D304 HydrophobicContact CD1-CB 3.88Å; Y150-D304 HydrophobicContact CE1-CB 3.69Å; R223-D304 IonicContact CZ-OD1 3.58Å; R223-D304 IonicContact CZ-OD2 2.77Å; R223-D304 IonicContact NE-OD1 2.68Å; R223-D304 PolarHBondContact NE-OD1 3.25Å; R223-D304 IonicContact NE-OD2 3.3Å; R223-D304 PolarHBondContact NE-OD2 3.42Å; R223-D304 IonicContact NH2-OD1 2.71Å; R223-D304 IonicContact NH2-OD2 2.82Å; R223-D304 PolarHBondContact NH2-OD2 3.36Å; D300-D304 PolarHBondContact O-N 2.87Å; R301-D304 PolarHBondContact O-N 3.43Å; I302-D304 PolarHBondContact O-N 2.9Å; D304-R306 PolarHBondContact O-NH1 3.43Å; D304-R306 IonicContact OD1-CZ 3.01Å; D304-R306 IonicContact OD1-NH1 3.73Å; D304-R306 PolarHBondContact OD1-NH1 3.42Å; D304-R306 IonicContact OD2-NH1 3.91Å; D304-R306 PolarHBondContact OD2-NH1 2.94Å; D304-R306 VanDerWaalsContact OD2-NH1 3.11Å; D304-R492 IonicContact OD2-CZ 3.94Å; D304-R492 IonicContact OD2-NE 2.68Å; D304-R492 IonicContact OD2-NH2 2.65Å; D304-R492 PolarHBondContact OD2-NH2 3.34Å; D304-R492 VanDerWaalsContact OD2-NH2 3.09Å
305F98.5Very high98.6Very high12 Ų129.4 Ų9.45%0.0535%0.045CC..  trans-75.8-45.5-179.1-71.7-16.2000112.2D300 L303 R307 D428 F432 H458 T489D300-F305 PolarHBondContact O-N 3.47Å; D300-F305 WeakPolarHBondContact OD1-CB 3.08Å; L303-F305 HydrophobicContact CB-CD1 4.14Å; L303-F305 HydrophobicContact CB-CD2 3.79Å; L303-F305 HydrophobicContact CB-CE1 4.25Å; L303-F305 HydrophobicContact CB-CE2 3.92Å; L303-F305 HydrophobicContact CB-CG 3.91Å; L303-F305 HydrophobicContact CB-CZ 4.16Å; L303-F305 HydrophobicContact CD1-CD2 3.91Å; L303-F305 HydrophobicContact CD1-CE2 3.59Å; L303-F305 HydrophobicContact CD1-CZ 4.27Å; L303-F305 HydrophobicContact CG-CE2 4.32Å; L303-F305 PolarHBondContact O-N 2.9Å; F305-R307 HydrophobicContact CB-CG 4.38Å; F305-R307 WeakPolarHBondContact O-CG 3.42Å; F305-D428 HydrophobicContact CE1-CB 3.93Å; F305-D428 HydrophobicContact CE2-CB 4.05Å; F305-D428 WeakPolarHBondContact CE2-O 3.04Å; F305-D428 HydrophobicContact CZ-CB 3.65Å; F305-F432 HydrophobicContact CD2-CB 4.46Å; F305-F432 HydrophobicContact CE2-CB 4.09Å; F305-H458 AromaticContact CD2-CE1 3.93Å; F305-T489 HydrophobicContact CE1-CG2 3.94Å; F305-T489 HydrophobicContact CZ-CG2 3.88Å
306R98.4Very high98.6Very high15 Ų159.4 Ų9.46%0.0575%0.045CC..  trans60.145.4175.4-46-171.2-60.1-84.5-2.9113.2E219 L220 Y221 D300 D304E219-R306 HydrophobicContact CB-CB 4.14Å; E219-R306 IonicContact OE2-CZ 2.6Å; E219-R306 IonicContact OE2-NE 2.91Å; E219-R306 PolarHBondContact OE2-NE 2.9Å; E219-R306 IonicContact OE2-NH2 2.76Å; E219-R306 PolarHBondContact OE2-NH2 2.86Å; L220-R306 WeakPolarHBondContact CB-O 3.42Å; L220-R306 PolarHBondContact N-O 2.96Å; Y221-R306 HydrophobicContact CD2-CB 4.27Å; Y221-R306 HydrophobicContact CD2-CG 4.45Å; Y221-R306 HydrophobicContact CE1-CB 4.21Å; Y221-R306 HydrophobicContact CE2-CB 3.9Å; Y221-R306 HydrophobicContact CE2-CG 3.9Å; Y221-R306 WeakPolarHBondContact O-CD 3.4Å; Y221-R306 PolarHBondContact O-NE 3.3Å; D300-R306 PolarHBondContact O-N 3.08Å; D300-R306 VanDerWaalsContact OD2-CA 3.29Å; D300-R306 WeakPolarHBondContact OD2-CA 3.35Å; D300-R306 PolarHBondContact OD2-N 2.92Å; D304-R306 PolarHBondContact O-NH1 3.43Å; D304-R306 IonicContact OD1-CZ 3.01Å; D304-R306 IonicContact OD1-NH1 3.73Å; D304-R306 PolarHBondContact OD1-NH1 3.42Å; D304-R306 IonicContact OD2-NH1 3.91Å; D304-R306 PolarHBondContact OD2-NH1 2.94Å; D304-R306 VanDerWaalsContact OD2-NH1 3.11Å
307R98.8Very high98.6Very high16 Ų1610.8 Ų10.86%0.065%0.052CC..  trans-121.8-13.4-171.6-68.4168-172.7-165.2-14.3114.8L220 D300 F305 D425 D428 F455 I456 H458L220-R307 VanDerWaalsContact CD1-O 3.26Å; L220-R307 WeakPolarHBondContact CD1-O 3.24Å; D300-R307 WeakPolarHBondContact OD1-CB 3.27Å; D300-R307 PolarHBondContact OD1-N 3.42Å; D300-R307 PolarHBondContact OD2-N 3.3Å; F305-R307 HydrophobicContact CB-CG 4.38Å; F305-R307 WeakPolarHBondContact O-CG 3.42Å; R307-D425 IonicContact CZ-OD1 3.65Å; R307-D425 IonicContact NH1-OD1 2.75Å; R307-D425 PolarHBondContact NH1-OD1 3.12Å; R307-D425 IonicContact NH2-OD1 3.59Å; R307-D425 PolarHBondContact NH2-OD1 2.98Å; R307-D428 IonicContact CZ-OD2 2.82Å; R307-D428 IonicContact NH1-OD2 2.7Å; R307-D428 PolarHBondContact NH1-OD2 3.04Å; R307-D428 IonicContact NH2-OD2 3.09Å; R307-F455 HydrophobicContact CB-CD2 4.37Å; R307-F455 HydrophobicContact CG-CB 4.24Å; R307-F455 HydrophobicContact CG-CD2 3.72Å; R307-F455 HydrophobicContact CG-CE2 4.43Å; R307-F455 HydrophobicContact CG-CG 4.24Å; R307-I456 WeakPolarHBondContact CB-O 3.45Å; R307-I456 WeakPolarHBondContact CD-O 3.33Å; R307-I456 WeakPolarHBondContact CG-O 3.41Å; R307-H458 HydrophobicContact CB-CB 4.2Å; R307-H458 WeakPolarHBondContact CB-ND1 3.36Å; R307-H458 PolarHBondContact O-N 2.99Å
308V98.8Very high98.5Very high1 Ų110.8 Ų10.81%0.0065%0.052CC..SBendtrans-90.5129170.6-179.10000109.2Y221 F297 D300 V311 F432 H458Y221-V308 WeakPolarHBondContact CE1-O 3.45Å; F297-V308 HydrophobicContact CB-CB 4.4Å; F297-V308 HydrophobicContact CB-CG1 3.84Å; D300-V308 HydrophobicContact CB-CB 3.99Å; D300-V308 HydrophobicContact CB-CG2 3.49Å; D300-V308 VanDerWaalsContact CB-CG2 3.49Å; D300-V308 PolarHBondContact OD1-N 3.41Å; D300-V308 PolarHBondContact OD2-N 2.98Å; V308-V311 HydrophobicContact CG1-CG2 4.36Å; V308-F432 HydrophobicContact CG2-CE1 4.04Å; V308-F432 HydrophobicContact CG2-CZ 3.63Å; V308-H458 HydrophobicContact CB-CB 4.43Å; V308-H458 HydrophobicContact CG2-CB 3.46Å; V308-H458 VanDerWaalsContact CG2-CB 3.46Å
309P98.6Very high98.5Very high9 Ų911.8 Ų11.86%0.0586%0.059CC..PPolyproline II helixtrans-57.5150.5173.9-23.133.3000112.2L220 V311 L374 L459L220-P309 HydrophobicContact CD1-CB 4.49Å; L220-P309 HydrophobicContact CD1-CG 4.03Å; P309-V311 VanDerWaalsContact O-CG2 3.25Å; P309-V311 WeakPolarHBondContact O-CG2 3.46Å; P309-V311 PolarHBondContact O-N 2.98Å; P309-L374 HydrophobicContact CB-CD2 4.34Å; P309-L374 HydrophobicContact CG-CD1 4.31Å; P309-L374 HydrophobicContact CG-CD2 3.98Å; P309-L374 HydrophobicContact CG-CG 4.01Å; P309-L459 HydrophobicContact CG-CD2 3.56Å
310P98.7Very high98.5Very high0 Ų014.9 Ų14.90%08%0.081CC..PPolyproline II helixtrans-56.7125.7-176.7-27.336.5000113F211 L228 L231 L232 F297 A372F211-P310 HydrophobicContact CD2-CG 4.32Å; F211-P310 HydrophobicContact CE1-CG 4.49Å; F211-P310 HydrophobicContact CE2-CG 4.03Å; F211-P310 HydrophobicContact CZ-CG 4.13Å; L228-P310 HydrophobicContact CD1-CB 3.8Å; L228-P310 HydrophobicContact CD1-CG 3.43Å; L228-P310 VanDerWaalsContact CD1-CG 3.43Å; L231-P310 HydrophobicContact CD2-CB 4.33Å; L231-P310 HydrophobicContact CD2-CG 4.11Å; L232-P310 HydrophobicContact CD2-CB 4.05Å; F297-P310 HydrophobicContact CE2-CB 4.35Å; F297-P310 HydrophobicContact CZ-CB 4.41Å; P310-A372 HydrophobicContact CB-CB 4.35Å; P310-A372 PolarHBondContact O-N 2.86Å
311V98.9Very high98.5Very high2 Ų216.9 Ų16.91%0.0129%0.09CC..EExtended strand (participates in β ladder)trans-123134.6179.7-168.60000110.7L232 E293 I294 F297 V308 P309 L370 A371L232-V311 WeakPolarHBondContact CD2-O 3.31Å; E293-V311 HydrophobicContact CB-CG1 4.01Å; I294-V311 HydrophobicContact CB-CG1 4.49Å; I294-V311 HydrophobicContact CG1-CG1 3.85Å; F297-V311 HydrophobicContact CB-CB 3.99Å; F297-V311 HydrophobicContact CB-CG2 3.93Å; F297-V311 HydrophobicContact CD1-CB 4.49Å; F297-V311 VanDerWaalsContact CD1-O 3.31Å; F297-V311 WeakPolarHBondContact CD1-O 3.38Å; F297-V311 HydrophobicContact CG-CB 4.41Å; V308-V311 HydrophobicContact CG1-CG2 4.36Å; P309-V311 VanDerWaalsContact O-CG2 3.25Å; P309-V311 WeakPolarHBondContact O-CG2 3.46Å; P309-V311 PolarHBondContact O-N 2.98Å; V311-L370 WeakPolarHBondContact CA-O 3.36Å; V311-A371 HydrophobicContact CG1-CB 4.38Å; V311-A371 HydrophobicContact CG2-CB 3.75Å
312A98.7Very high98.5Very high3 Ų315.9 Ų15.93%0.0259%0.086CC..EExtended strand (participates in β ladder)trans-133.6150.8172.100000111.9L232 L235 V236 L370L232-A312 HydrophobicContact CD2-CB 4.08Å; L235-A312 HydrophobicContact CB-CB 4.19Å; L235-A312 HydrophobicContact CD1-CB 4.26Å; V236-A312 HydrophobicContact CG2-CB 3.58Å; A312-L370 PolarHBondContact N-O 3.3Å; A312-L370 PolarHBondContact O-N 3.26Å
313G98.6Very high98.4Very high0 Ų019.4 Ų19.40%010%0.1CC..EExtended strand (participates in β ladder)trans-84.7135.5175.500000113.1D514G313-D514 WeakPolarHBondContact CA-OD1 3.45Å; G313-D514 PolarHBondContact N-OD1 2.83Å; G313-D514 PolarHBondContact N-OD2 2.71Å
314R98.3Very high98.4Very high14 Ų1423.7 Ų23.75%0.05312%0.122CC..EExtended strand (participates in β ladder)trans-134.9138.9177.3-172.1178.4-179.7143.4-7.9110.7L235 Q238 V316 E321 G368 L370L235-R314 PolarHBondContact O-NH1 3.33Å; Q238-R314 PolarHBondContact O-NH1 3.31Å; Q238-R314 PolarHBondContact O-NH2 3.04Å; R314-V316 HydrophobicContact CB-CG2 4.21Å; R314-V316 HydrophobicContact CG-CG2 3.83Å; R314-E321 IonicContact CZ-OE1 3.55Å; R314-E321 IonicContact NE-OE1 3.75Å; R314-E321 IonicContact NH2-OE1 2.78Å; R314-E321 PolarHBondContact NH2-OE1 2.91Å; R314-G368 PolarHBondContact N-O 3Å; R314-G368 PolarHBondContact O-N 2.98Å; R314-L370 HydrophobicContact CB-CD1 3.85Å; R314-L370 VanDerWaalsContact CD-CD1 3.42Å; R314-L370 HydrophobicContact CG-CD1 4.29Å
315L98Very high98.4Very high90 Ų9025.1 Ų25.147%0.47113%0.132SC..EExtended strand (participates in β ladder)trans-86.3123.8161.2-169.675.7000107.3Q365 E367L315-Q365 HydrophobicContact CD1-CB 4.02Å; L315-Q365 HydrophobicContact CD2-CB 4.11Å; L315-Q365 HydrophobicContact CD2-CG 4.2Å; L315-Q365 HydrophobicContact CG-CB 4.04Å; L315-E367 HydrophobicContact CD1-CG 3.61Å
316V98.3Very high98.4Very high0 Ų025.3 Ų25.30%013%0.134CC..EExtended strand (participates in β ladder)trans-118.6133.1-172.4-178.60000109.8I240 M256 F266 R314 M318 E321 I322 I366I240-V316 HydrophobicContact CD1-CG1 4.43Å; M256-V316 HydrophobicContact CE-CG1 4.14Å; F266-V316 HydrophobicContact CD2-CG2 4.47Å; F266-V316 HydrophobicContact CE2-CG2 3.66Å; F266-V316 HydrophobicContact CZ-CB 4.28Å; F266-V316 HydrophobicContact CZ-CG2 3.91Å; R314-V316 HydrophobicContact CB-CG2 4.21Å; R314-V316 HydrophobicContact CG-CG2 3.83Å; V316-M318 PolarHBondContact O-N 3.09Å; V316-E321 WeakPolarHBondContact CA-OE2 3.17Å; V316-E321 HydrophobicContact CG1-CB 3.66Å; V316-I322 HydrophobicContact CG1-CD1 3.98Å; V316-I322 HydrophobicContact CG1-CG1 3.79Å; V316-I366 PolarHBondContact N-O 2.9Å; V316-I366 PolarHBondContact O-N 2.72Å
317N98.3Very high98.3Very high28 Ų2834.8 Ų34.815%0.1517%0.17CC..EExtended strand (participates in β ladder)trans-74.3109.9170.1-171.9-56.2000110.1T319 S320 E321 I322 D364 Q365N317-T319 PolarHBondContact O-N 2.77Å; N317-T319 WeakPolarHBondContact OD1-CA 3.48Å; N317-T319 WeakPolarHBondContact OD1-CB 3.37Å; N317-T319 PolarHBondContact OD1-N 3.09Å; N317-T319 PolarHBondContact OD1-OG1 3.35Å; N317-S320 WeakPolarHBondContact CB-OG 3.41Å; N317-S320 VanDerWaalsContact CG-OG 3.22Å; N317-S320 PolarHBondContact OD1-N 2.93Å; N317-S320 PolarHBondContact OD1-OG 3.1Å; N317-E321 HydrophobicContact CB-CG 4.32Å; N317-E321 PolarHBondContact N-OE2 3.21Å; N317-E321 WeakPolarHBondContact O-CA 3.39Å; N317-E321 VanDerWaalsContact O-CB 3.32Å; N317-E321 WeakPolarHBondContact O-CB 3.11Å; N317-E321 PolarHBondContact O-N 3.47Å; N317-I322 PolarHBondContact O-N 3.12Å; N317-D364 PolarHBondContact ND2-OD2 3.09Å; N317-D364 PolarHBondContact OD1-OD2 3.42Å; N317-Q365 VanDerWaalsContact CB-NE2 3.34Å; N317-Q365 PolarHBondContact ND2-NE2 3.19Å
318M98.3Very high98.2Very high0 Ų035.7 Ų35.70%018%0.175CC..Iπ-helixtrans-62.7-26.9-179.7-65.3170.444.800113.2V316 I322 R323 F335 V343 F345 G361 D364 I366V316-M318 PolarHBondContact O-N 3.09Å; M318-I322 HydrophobicContact CG-CD1 4.35Å; M318-R323 WeakPolarHBondContact O-CB 3.44Å; M318-R323 PolarHBondContact O-N 3.37Å; M318-F335 HydrophobicContact CB-CE1 4.37Å; M318-F335 WeakPolarHBondContact O-CE1 3.18Å; M318-V343 HydrophobicContact CB-CG1 4.49Å; M318-V343 HydrophobicContact CE-CB 4.3Å; M318-V343 HydrophobicContact CE-CG1 4.09Å; M318-V343 WeakPolarHBondContact CE-O 3.46Å; M318-F345 HydrophobicContact CE-CD1 3.59Å; M318-F345 HydrophobicContact CE-CE1 4.02Å; M318-G361 PolarHBondContact SD-N 3.12Å; M318-G361 VanDerWaalsContact SD-N 3.4Å; M318-D364 WeakPolarHBondContact CB-O 3.41Å; M318-D364 VanDerWaalsContact CG-O 3.25Å; M318-D364 WeakPolarHBondContact CG-O 3.25Å; M318-D364 PolarHBondContact N-O 2.87Å; M318-I366 HydrophobicContact CG-CB 3.98Å; M318-I366 HydrophobicContact CG-CG2 3.46Å; M318-I366 VanDerWaalsContact CG-CG2 3.46Å; M318-I366 HydrophobicContact SD-CB 3.67Å; M318-I366 HydrophobicContact SD-CD1 4.38Å; M318-I366 HydrophobicContact SD-CG2 3.8Å
319T98.1Very high98.1Very high28 Ų2843.3 Ų43.317%0.17221%0.209CC..Iπ-helixtrans-72.2-69.7175.3-42.30000109.7N317 R323 D324 D364N317-T319 PolarHBondContact O-N 2.77Å; N317-T319 WeakPolarHBondContact OD1-CA 3.48Å; N317-T319 WeakPolarHBondContact OD1-CB 3.37Å; N317-T319 PolarHBondContact OD1-N 3.09Å; N317-T319 PolarHBondContact OD1-OG1 3.35Å; T319-R323 WeakPolarHBondContact O-CB 3.5Å; T319-R323 PolarHBondContact O-N 2.86Å; T319-D324 WeakPolarHBondContact O-CB 3.47Å; T319-D324 VanDerWaalsContact O-CG 3.23Å; T319-D324 PolarHBondContact O-N 3.07Å; T319-D364 WeakPolarHBondContact OG1-CB 3.2Å; T319-D364 PolarHBondContact OG1-OD2 3.36Å
320S98.2Very high97.9Very high65 Ų6548.2 Ų48.246%0.45523%0.229SC..Iπ-helixtrans-88.2-21.8-167.358.30000115.4N317N317-S320 WeakPolarHBondContact CB-OG 3.41Å; N317-S320 VanDerWaalsContact CG-OG 3.22Å; N317-S320 PolarHBondContact OD1-N 2.93Å; N317-S320 PolarHBondContact OD1-OG 3.1Å
321E98.4Very high97.8Very high42 Ų4248.2 Ų48.220%0.19623%0.229CC..Iπ-helixtrans-107.1-2.3179.4-63.3-178.8106.800113.5I240 V243 R314 V316 N317 V325I240-E321 HydrophobicContact CD1-CB 4.03Å; I240-E321 HydrophobicContact CD1-CG 4.49Å; V243-E321 WeakPolarHBondContact CG2-O 3.05Å; R314-E321 IonicContact CZ-OE1 3.55Å; R314-E321 IonicContact NE-OE1 3.75Å; R314-E321 IonicContact NH2-OE1 2.78Å; R314-E321 PolarHBondContact NH2-OE1 2.91Å; V316-E321 WeakPolarHBondContact CA-OE2 3.17Å; V316-E321 HydrophobicContact CG1-CB 3.66Å; N317-E321 HydrophobicContact CB-CG 4.32Å; N317-E321 PolarHBondContact N-OE2 3.21Å; N317-E321 WeakPolarHBondContact O-CA 3.39Å; N317-E321 VanDerWaalsContact O-CB 3.32Å; N317-E321 WeakPolarHBondContact O-CB 3.11Å; N317-E321 PolarHBondContact O-N 3.47Å; E321-V325 WeakPolarHBondContact O-CG2 3.44Å
322I98.6Very high97.8Very high0 Ų055.1 Ų55.10%026%0.255CS..Iπ-helixtrans-129.2-67.4172.5-45.9-177.2000111.7V243 L254 M256 F266 V316 N317 M318 D324 V325 T326 L331 F335 F345V243-I322 HydrophobicContact CG1-CG2 4.2Å; L254-I322 HydrophobicContact CD1-CD1 4.3Å; L254-I322 HydrophobicContact CD1-CG2 3.88Å; M256-I322 HydrophobicContact CE-CD1 4.15Å; M256-I322 HydrophobicContact CE-CG1 4.03Å; F266-I322 HydrophobicContact CE1-CD1 4.27Å; V316-I322 HydrophobicContact CG1-CD1 3.98Å; V316-I322 HydrophobicContact CG1-CG1 3.79Å; N317-I322 PolarHBondContact O-N 3.12Å; M318-I322 HydrophobicContact CG-CD1 4.35Å; I322-D324 PolarHBondContact O-N 3.01Å; I322-V325 PolarHBondContact O-N 3.36Å; I322-T326 WeakPolarHBondContact O-CB 3.27Å; I322-T326 WeakPolarHBondContact O-CG2 3Å; I322-T326 PolarHBondContact O-N 2.91Å; I322-T326 VanDerWaalsContact O-N 3.1Å; I322-L331 HydrophobicContact CG2-CD2 4.43Å; I322-F335 HydrophobicContact CB-CZ 4.16Å; I322-F335 HydrophobicContact CG2-CE2 4.36Å; I322-F335 HydrophobicContact CG2-CZ 3.76Å; I322-F345 HydrophobicContact CD1-CZ 4.28Å
323R98.1Very high97.8Very high74 Ų7464 Ų6428%0.27929%0.288SS..Iπ-helixtrans-63.5-42.6-171.4-169.7-163.868.4-164-1.7113.1M318 T319 V325 T326 F335M318-R323 WeakPolarHBondContact O-CB 3.44Å; M318-R323 PolarHBondContact O-N 3.37Å; T319-R323 WeakPolarHBondContact O-CB 3.5Å; T319-R323 PolarHBondContact O-N 2.86Å; R323-V325 VanDerWaalsContact C-N 3.34Å; R323-T326 VanDerWaalsContact O-CG2 3.32Å; R323-T326 WeakPolarHBondContact O-CG2 3.39Å; R323-F335 HydrophobicContact CB-CD1 3.89Å; R323-F335 HydrophobicContact CB-CD2 4.33Å; R323-F335 HydrophobicContact CB-CE1 3.75Å; R323-F335 HydrophobicContact CB-CE2 4.21Å; R323-F335 HydrophobicContact CB-CG 4.18Å; R323-F335 HydrophobicContact CB-CZ 3.92Å; R323-F335 HydrophobicContact CG-CB 4.22Å; R323-F335 HydrophobicContact CG-CD1 3.89Å; R323-F335 HydrophobicContact CG-CD2 4.02Å; R323-F335 HydrophobicContact CG-CE1 4.26Å; R323-F335 HydrophobicContact CG-CE2 4.37Å; R323-F335 HydrophobicContact CG-CG 3.76Å; R323-F335 HydrophobicContact CG-CZ 4.48Å
324D98.2Very high97.7Very high91 Ų9164.4 Ų64.449%0.48729%0.29SS..THydrogen-bonded Turntrans-87.9-5.5-172.1-61-18.2000113T319 I322T319-D324 WeakPolarHBondContact O-CB 3.47Å; T319-D324 VanDerWaalsContact O-CG 3.23Å; T319-D324 PolarHBondContact O-N 3.07Å; I322-D324 PolarHBondContact O-N 3.01Å
325V98.2Very high97.7Very high38 Ų3865.3 Ų65.323%0.2330%0.295CS..THydrogen-bonded Turntrans-117.41.2177-67.30000113.7I240 S242 V243 E321 I322 R323I240-V325 HydrophobicContact CG2-CG2 4.38Å; S242-V325 WeakPolarHBondContact CA-O 3.45Å; V243-V325 HydrophobicContact CG2-CG2 3.94Å; V243-V325 PolarHBondContact N-O 3.46Å; E321-V325 WeakPolarHBondContact O-CG2 3.44Å; I322-V325 PolarHBondContact O-N 3.36Å; R323-V325 VanDerWaalsContact C-N 3.34Å
326T98Very high97.8Very high16 Ų1664 Ų6410%0.09829%0.286CS..BIsolated β-bridgetrans-84.9128.1174.3175.50000112V243 I322 R323 D328 L331 W332V243-T326 WeakPolarHBondContact O-CA 3.46Å; V243-T326 WeakPolarHBondContact O-CB 3.44Å; V243-T326 PolarHBondContact O-OG1 2.88Å; I322-T326 WeakPolarHBondContact O-CB 3.27Å; I322-T326 WeakPolarHBondContact O-CG2 3Å; I322-T326 PolarHBondContact O-N 2.91Å; I322-T326 VanDerWaalsContact O-N 3.1Å; R323-T326 VanDerWaalsContact O-CG2 3.32Å; R323-T326 WeakPolarHBondContact O-CG2 3.39Å; T326-D328 WeakPolarHBondContact OG1-CB 3.49Å; T326-D328 PolarHBondContact OG1-N 3.44Å; T326-D328 PolarHBondContact OG1-O 2.97Å; T326-L331 HydrophobicContact CG2-CD2 4.47Å; T326-W332 HydrophobicContact CG2-CB 3.96Å; T326-W332 HydrophobicContact CG2-CG 4.44Å
327R96.8Very high97.8Very high214 Ų21468.6 Ų68.681%0.80831%0.309SS*.  trans-90-9.5164.3-64.3-173.9179.1-161.9-2112.5K329R327-K329 PolarHBondContact O-N 2.9Å; R327-K329 VanDerWaalsContact O-N 3.12Å
328D96.9Very high97.8Very high34 Ų3468.1 Ų68.118%0.18231%0.308CS..  trans-72102.6176.4178-4.7000110.5M245 T326 K330 L331 W332M245-D328 WeakPolarHBondContact CB-OD2 3.49Å; M245-D328 PolarHBondContact N-OD2 3.38Å; M245-D328 VanDerWaalsContact N-OD2 3.08Å; T326-D328 WeakPolarHBondContact OG1-CB 3.49Å; T326-D328 PolarHBondContact OG1-N 3.44Å; T326-D328 PolarHBondContact OG1-O 2.97Å; D328-K330 PolarHBondContact O-N 3.39Å; D328-K330 WeakPolarHBondContact OD1-CA 3.42Å; D328-K330 VanDerWaalsContact OD1-CB 3.28Å; D328-K330 WeakPolarHBondContact OD1-CB 3.26Å; D328-K330 PolarHBondContact OD1-N 2.92Å; D328-L331 HydrophobicContact CB-CB 3.98Å; D328-L331 PolarHBondContact O-N 2.93Å; D328-L331 PolarHBondContact OD1-N 3.38Å; D328-L331 VanDerWaalsContact OD1-N 3.17Å; D328-W332 WeakPolarHBondContact O-CB 3.45Å; D328-W332 PolarHBondContact O-N 2.97Å
329K96.2Very high97.7Very high162 Ų16275 Ų7570%0.70435%0.353SS*.Hα-helixtrans-65.2-18.6178.6-65.7174.4-177.3169.50113.3R327 R333R327-K329 PolarHBondContact O-N 2.9Å; R327-K329 VanDerWaalsContact O-N 3.12Å; K329-R333 VanDerWaalsContact O-CD 3.24Å; K329-R333 WeakPolarHBondContact O-CD 3.47Å; K329-R333 WeakPolarHBondContact O-CG 3.47Å
330K95Very high97.7Very high112 Ų11277.1 Ų77.149%0.48737%0.373SS..Hα-helixtrans-75.9-54.6171.4-69.6163.4160.5-82.90109.4M245 D328 W332 R333 E348M245-K330 HydrophobicContact CE-CB 4.37Å; D328-K330 PolarHBondContact O-N 3.39Å; D328-K330 WeakPolarHBondContact OD1-CA 3.42Å; D328-K330 VanDerWaalsContact OD1-CB 3.28Å; D328-K330 WeakPolarHBondContact OD1-CB 3.26Å; D328-K330 PolarHBondContact OD1-N 2.92Å; K330-W332 PolarHBondContact O-N 3.34Å; K330-R333 PolarHBondContact O-N 2.92Å; K330-E348 WeakPolarHBondContact CD-OE2 3.17Å; K330-E348 WeakPolarHBondContact CG-OE2 3.25Å; K330-E348 IonicContact NZ-OE1 3.87Å; K330-E348 PolarHBondContact NZ-OE1 3.28Å; K330-E348 IonicContact NZ-OE2 2.83Å; K330-E348 PolarHBondContact NZ-OE2 2.78Å
331L97Very high97.7Very high0 Ų080.2 Ų80.20%038%0.384CS..Hα-helixtrans-54.6-51.7177.8177.858.2000111.9V243 M245 L254 I322 T326 D328 R333 T334 F335 F345V243-L331 HydrophobicContact CG1-CD2 4.17Å; M245-L331 HydrophobicContact CB-CB 4.48Å; M245-L331 HydrophobicContact CE-CB 3.72Å; M245-L331 HydrophobicContact CE-CD1 4.1Å; L254-L331 HydrophobicContact CD1-CD2 4.46Å; L254-L331 HydrophobicContact CD2-CD1 3.92Å; L254-L331 HydrophobicContact CD2-CD2 3.97Å; I322-L331 HydrophobicContact CG2-CD2 4.43Å; T326-L331 HydrophobicContact CG2-CD2 4.47Å; D328-L331 HydrophobicContact CB-CB 3.98Å; D328-L331 PolarHBondContact O-N 2.93Å; D328-L331 PolarHBondContact OD1-N 3.38Å; D328-L331 VanDerWaalsContact OD1-N 3.17Å; L331-R333 VanDerWaalsContact C-N 3.3Å; L331-R333 PolarHBondContact O-N 3.31Å; L331-T334 PolarHBondContact O-N 2.95Å; L331-T334 PolarHBondContact O-OG1 3.44Å; L331-F335 HydrophobicContact CD1-CE2 4.3Å; L331-F335 HydrophobicContact CG-CE2 4.32Å; L331-F345 HydrophobicContact CD1-CD2 3.81Å; L331-F345 HydrophobicContact CD1-CE2 4Å
332W98Very high97.7Very high146 Ų14680 Ų8055%0.55339%0.385SS*.Hα-helixtrans-56.2-41-177.6-174.491.9000113T326 D328 K330 T334 F335T326-W332 HydrophobicContact CG2-CB 3.96Å; T326-W332 HydrophobicContact CG2-CG 4.44Å; D328-W332 WeakPolarHBondContact O-CB 3.45Å; D328-W332 PolarHBondContact O-N 2.97Å; K330-W332 PolarHBondContact O-N 3.34Å; W332-T334 PolarHBondContact O-N 3.35Å; W332-T334 VanDerWaalsContact O-N 3.17Å; W332-F335 PolarHBondContact O-N 3.08Å
333R97.8Very high97.7Very high189 Ų18980.8 Ų80.871%0.71339%0.389SS*.THydrogen-bonded Turntrans-67.4-12.6179.8-76.3174.8-179.4176.2-1.7114.5K329 K330 L331K329-R333 VanDerWaalsContact O-CD 3.24Å; K329-R333 WeakPolarHBondContact O-CD 3.47Å; K329-R333 WeakPolarHBondContact O-CG 3.47Å; K330-R333 PolarHBondContact O-N 2.92Å; L331-R333 VanDerWaalsContact C-N 3.3Å; L331-R333 PolarHBondContact O-N 3.31Å
334T97.8Very high97.7Very high10 Ų1077.3 Ų77.36%0.06138%0.376CS..THydrogen-bonded Turntrans-88.9-3.117870.40000113.9L331 W332 F345 Y346 G347L331-T334 PolarHBondContact O-N 2.95Å; L331-T334 PolarHBondContact O-OG1 3.44Å; W332-T334 PolarHBondContact O-N 3.35Å; W332-T334 VanDerWaalsContact O-N 3.17Å; T334-F345 WeakPolarHBondContact O-CA 3.34Å; T334-Y346 HydrophobicContact CG2-CD2 4.03Å; T334-Y346 HydrophobicContact CG2-CE1 4.18Å; T334-Y346 HydrophobicContact CG2-CE2 3.61Å; T334-Y346 HydrophobicContact CG2-CG 4.47Å; T334-G347 PolarHBondContact OG1-N 3.48Å
335F98.6Very high97.7Very high32 Ų3273 Ų7314%0.1435%0.353CS..  trans-78.3133.9177.6-80.2-97000112.3M318 I322 R323 L331 W332 V343 C344 F345M318-F335 HydrophobicContact CB-CE1 4.37Å; M318-F335 WeakPolarHBondContact O-CE1 3.18Å; I322-F335 HydrophobicContact CB-CZ 4.16Å; I322-F335 HydrophobicContact CG2-CE2 4.36Å; I322-F335 HydrophobicContact CG2-CZ 3.76Å; R323-F335 HydrophobicContact CB-CD1 3.89Å; R323-F335 HydrophobicContact CB-CD2 4.33Å; R323-F335 HydrophobicContact CB-CE1 3.75Å; R323-F335 HydrophobicContact CB-CE2 4.21Å; R323-F335 HydrophobicContact CB-CG 4.18Å; R323-F335 HydrophobicContact CB-CZ 3.92Å; R323-F335 HydrophobicContact CG-CB 4.22Å; R323-F335 HydrophobicContact CG-CD1 3.89Å; R323-F335 HydrophobicContact CG-CD2 4.02Å; R323-F335 HydrophobicContact CG-CE1 4.26Å; R323-F335 HydrophobicContact CG-CE2 4.37Å; R323-F335 HydrophobicContact CG-CG 3.76Å; R323-F335 HydrophobicContact CG-CZ 4.48Å; L331-F335 HydrophobicContact CD1-CE2 4.3Å; L331-F335 HydrophobicContact CG-CE2 4.32Å; W332-F335 PolarHBondContact O-N 3.08Å; F335-V343 HydrophobicContact CD1-CG1 4.08Å; F335-C344 CarbonylContact C-O 3.56Å; F335-C344 VanDerWaalsContact CA-O 3.31Å; F335-C344 WeakPolarHBondContact CA-O 3.29Å; F335-F345 HydrophobicContact CD1-CB 3.81Å; F335-F345 HydrophobicContact CD1-CG 4.48Å; F335-F345 HydrophobicContact CD2-CB 3.88Å; F335-F345 HydrophobicContact CE1-CB 3.76Å; F335-F345 HydrophobicContact CE1-CD1 4.22Å; F335-F345 AromaticContact CE1-CG 3.94Å; F335-F345 HydrophobicContact CE1-CG 3.94Å; F335-F345 HydrophobicContact CE2-CB 3.83Å; F335-F345 AromaticContact CE2-CD2 3.95Å; F335-F345 HydrophobicContact CE2-CD2 3.95Å; F335-F345 HydrophobicContact CE2-CG 4.04Å; F335-F345 HydrophobicContact CG-CB 3.87Å; F335-F345 HydrophobicContact CZ-CB 3.77Å; F335-F345 HydrophobicContact CZ-CD1 4.23Å; F335-F345 AromaticContact CZ-CD2 3.83Å; F335-F345 HydrophobicContact CZ-CD2 3.83Å; F335-F345 HydrophobicContact CZ-CE2 4.46Å; F335-F345 AromaticContact CZ-CG 3.68Å; F335-F345 HydrophobicContact CZ-CG 3.68Å
336F98.4Very high97.7Very high64 Ų6474.2 Ų74.228%0.28135%0.354SS..EExtended strand (participates in β ladder)trans-149.1169.4176.668.7-78.8000111.7C344 Y346 T355 A358F336-C344 HydrophobicContact CD1-CB 4Å; F336-C344 HydrophobicContact CD2-CB 4.3Å; F336-C344 HydrophobicContact CE1-CB 3.54Å; F336-C344 HydrophobicContact CE2-CB 3.88Å; F336-C344 HydrophobicContact CG-CB 4.36Å; F336-C344 HydrophobicContact CZ-CB 3.47Å; F336-C344 VanDerWaalsContact CZ-CB 3.47Å; F336-C344 PolarHBondContact N-O 2.98Å; F336-C344 PolarHBondContact O-N 3.42Å; F336-Y346 HydrophobicContact CE1-CD1 4.16Å; F336-T355 HydrophobicContact CE1-CG2 4.25Å; F336-T355 HydrophobicContact CE2-CG2 4.3Å; F336-T355 HydrophobicContact CZ-CG2 3.84Å; F336-A358 HydrophobicContact CE1-CB 3.65Å; F336-A358 HydrophobicContact CZ-CB 3.61Å
337I98.4Very high97.5Very high95 Ų9573.6 Ų73.649%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-101.7127.2170.4-54.8-57.3000108.4V343I337-V343 HydrophobicContact CD1-CB 4.45Å; I337-V343 HydrophobicContact CD1-CG2 3.94Å
338S98.1Very high97.4Very high18 Ų1868.5 Ų68.513%0.12634%0.336CS..  trans-73162.4176.755.50000112.7A340 N341 N342 C344S338-A340 PolarHBondContact O-N 3.3Å; S338-N341 WeakPolarHBondContact O-CA 3.38Å; S338-N341 PolarHBondContact O-N 2.92Å; S338-N342 PolarHBondContact N-O 3.39Å; S338-N342 WeakPolarHBondContact OG-CB 3.49Å; S338-N342 PolarHBondContact OG-N 3.44Å; S338-N342 VanDerWaalsContact OG-N 3.11Å; S338-N342 PolarHBondContact OG-O 2.89Å; S338-C344 VanDerWaalsContact CB-SG 3.55Å
339P98Very high97.2Very high146 Ų14668.2 Ų68.295%0.94834%0.336SS*.THydrogen-bonded Turntrans-57.4-17.9171.1-26.135.8000114.8N341P339-N341 VanDerWaalsContact C-N 3.31Å
340A97.9Very high96.9Very high72 Ų7264.3 Ų64.360%0.59533%0.329SS*.THydrogen-bonded Turntrans-89.310.8173.500000113.6S338 N342S338-A340 PolarHBondContact O-N 3.3Å; A340-N342 PolarHBondContact O-N 3.01Å
341N97.8Very high96.6Very high129 Ų12963.7 Ų63.769%0.6933%0.325SS*.SBendtrans59.422.3-177.3-158.862000115.4S338 P339S338-N341 WeakPolarHBondContact O-CA 3.38Å; S338-N341 PolarHBondContact O-N 2.92Å; P339-N341 VanDerWaalsContact C-N 3.31Å
342N98.4Very high96.5Very high39 Ų3966.1 Ų66.121%0.20933%0.334CS..  trans-91.7146.8171-54.9-54.9000110.8S338 A340 G361 P363S338-N342 PolarHBondContact N-O 3.39Å; S338-N342 WeakPolarHBondContact OG-CB 3.49Å; S338-N342 PolarHBondContact OG-N 3.44Å; S338-N342 VanDerWaalsContact OG-N 3.11Å; S338-N342 PolarHBondContact OG-O 2.89Å; A340-N342 PolarHBondContact O-N 3.01Å; N342-G361 VanDerWaalsContact CB-O 3.29Å; N342-G361 WeakPolarHBondContact CB-O 3.12Å; N342-P363 CarbonylContact C-O 3.56Å; N342-P363 WeakPolarHBondContact CA-O 3.42Å; N342-P363 WeakPolarHBondContact OD1-CA 3.33Å
343V98.5Very high96.3Very high16 Ų1660.2 Ų60.210%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-71.8133.5170.3-1730000108.9M318 F335 I337 C360 G361 P363 D364M318-V343 HydrophobicContact CB-CG1 4.49Å; M318-V343 HydrophobicContact CE-CB 4.3Å; M318-V343 HydrophobicContact CE-CG1 4.09Å; M318-V343 WeakPolarHBondContact CE-O 3.46Å; F335-V343 HydrophobicContact CD1-CG1 4.08Å; I337-V343 HydrophobicContact CD1-CB 4.45Å; I337-V343 HydrophobicContact CD1-CG2 3.94Å; V343-C360 WeakPolarHBondContact O-CA 3.19Å; V343-G361 PolarHBondContact O-N 3.39Å; V343-P363 PolarHBondContact N-O 3.25Å; V343-D364 HydrophobicContact CB-CB 4.15Å; V343-D364 HydrophobicContact CG2-CB 3.74Å
344C98.6Very high96.2Very high0 Ų053.1 Ų53.10%029%0.294CS..EExtended strand (participates in β ladder)trans-136.3153.5-178.4-56.70000111.8F335 F336 S338 A358 L359 C360F335-C344 CarbonylContact C-O 3.56Å; F335-C344 VanDerWaalsContact CA-O 3.31Å; F335-C344 WeakPolarHBondContact CA-O 3.29Å; F336-C344 HydrophobicContact CD1-CB 4Å; F336-C344 HydrophobicContact CD2-CB 4.3Å; F336-C344 HydrophobicContact CE1-CB 3.54Å; F336-C344 HydrophobicContact CE2-CB 3.88Å; F336-C344 HydrophobicContact CG-CB 4.36Å; F336-C344 HydrophobicContact CZ-CB 3.47Å; F336-C344 VanDerWaalsContact CZ-CB 3.47Å; F336-C344 PolarHBondContact N-O 2.98Å; F336-C344 PolarHBondContact O-N 3.42Å; S338-C344 VanDerWaalsContact CB-SG 3.55Å; C344-A358 HydrophobicContact CB-CB 4.42Å; C344-L359 CarbonylContact C-O 3.51Å; C344-L359 VanDerWaalsContact CA-O 3.27Å; C344-L359 WeakPolarHBondContact CA-O 3.31Å; C344-C360 HydrophobicContact CB-CB 4.1Å; C344-C360 WeakPolarHBondContact CB-SG 3.41Å; C344-C360 WeakPolarHBondContact SG-CB 3.06Å; C344-C360 CovalentContact SG-SG 2.03Å; C344-C360 PolarHBondContact SG-SG 2.96Å
345F98.4Very high96.1Very high0 Ų056.9 Ų56.90%032%0.317CS..EExtended strand (participates in β ladder)trans-152.2162.2170.978.3-60.3000111.8L252 L254 M318 I322 L331 T334 F335 L359L252-F345 HydrophobicContact CD2-CD2 4.4Å; L252-F345 HydrophobicContact CD2-CE2 3.82Å; L252-F345 HydrophobicContact CD2-CZ 4.25Å; L254-F345 HydrophobicContact CD1-CE2 3.99Å; L254-F345 HydrophobicContact CD1-CZ 4.22Å; M318-F345 HydrophobicContact CE-CD1 3.59Å; M318-F345 HydrophobicContact CE-CE1 4.02Å; I322-F345 HydrophobicContact CD1-CZ 4.28Å; L331-F345 HydrophobicContact CD1-CD2 3.81Å; L331-F345 HydrophobicContact CD1-CE2 4Å; T334-F345 WeakPolarHBondContact O-CA 3.34Å; F335-F345 HydrophobicContact CD1-CB 3.81Å; F335-F345 HydrophobicContact CD1-CG 4.48Å; F335-F345 HydrophobicContact CD2-CB 3.88Å; F335-F345 HydrophobicContact CE1-CB 3.76Å; F335-F345 HydrophobicContact CE1-CD1 4.22Å; F335-F345 AromaticContact CE1-CG 3.94Å; F335-F345 HydrophobicContact CE1-CG 3.94Å; F335-F345 HydrophobicContact CE2-CB 3.83Å; F335-F345 AromaticContact CE2-CD2 3.95Å; F335-F345 HydrophobicContact CE2-CD2 3.95Å; F335-F345 HydrophobicContact CE2-CG 4.04Å; F335-F345 HydrophobicContact CG-CB 3.87Å; F335-F345 HydrophobicContact CZ-CB 3.77Å; F335-F345 HydrophobicContact CZ-CD1 4.23Å; F335-F345 AromaticContact CZ-CD2 3.83Å; F335-F345 HydrophobicContact CZ-CD2 3.83Å; F335-F345 HydrophobicContact CZ-CE2 4.46Å; F335-F345 AromaticContact CZ-CG 3.68Å; F335-F345 HydrophobicContact CZ-CG 3.68Å; F345-L359 HydrophobicContact CD1-CB 4.32Å; F345-L359 HydrophobicContact CE1-CB 4.11Å; F345-L359 PolarHBondContact N-O 3.37Å; F345-L359 PolarHBondContact O-N 2.92Å
346Y96.8Very high95.9Very high65 Ų6563.7 Ų63.726%0.25535%0.349SS..  trans-136.9-16.2-178.861.5-91.7000115.4T334 F336 C353 S354T334-Y346 HydrophobicContact CG2-CD2 4.03Å; T334-Y346 HydrophobicContact CG2-CE1 4.18Å; T334-Y346 HydrophobicContact CG2-CE2 3.61Å; T334-Y346 HydrophobicContact CG2-CG 4.47Å; F336-Y346 HydrophobicContact CE1-CD1 4.16Å; Y346-C353 WeakPolarHBondContact O-CA 3.45Å; Y346-C353 WeakPolarHBondContact O-CB 3.45Å; Y346-C353 PolarHBondContact O-SG 3.37Å; Y346-S354 WeakPolarHBondContact CB-O 3.41Å
347G95.2Very high95.8Very high2 Ų263.9 Ų63.92%0.02135%0.351CS..  trans62.3-157.1179.200000115.1T334T334-G347 PolarHBondContact OG1-N 3.48Å
348E92.9Very high95.8Very high107 Ų10760.5 Ų60.550%0.534%0.337SS..SBendtrans-140.7102.3-173-169.2-172.1130.800109.9M245 K330M245-E348 HydrophobicContact CE-CB 3.89Å; M245-E348 HydrophobicContact SD-CB 3.78Å; M245-E348 PolarHBondContact SD-N 3.35Å; K330-E348 WeakPolarHBondContact CD-OE2 3.17Å; K330-E348 WeakPolarHBondContact CG-OE2 3.25Å; K330-E348 IonicContact NZ-OE1 3.87Å; K330-E348 PolarHBondContact NZ-OE1 3.28Å; K330-E348 IonicContact NZ-OE2 2.83Å; K330-E348 PolarHBondContact NZ-OE2 2.78Å
349C92.7Very high95.7Very high29 Ų2960.4 Ų60.420%0.19634%0.335CS..  trans-152.7167.6-179.171.30000110Q251 L252 Y351 C353Q251-C349 VanDerWaalsContact C-SG 3.58Å; Q251-C349 VanDerWaalsContact CA-SG 3.58Å; L252-C349 PolarHBondContact N-SG 3.44Å; C349-Y351 PolarHBondContact O-N 3.06Å; C349-Y351 PolarHBondContact SG-O 2.94Å; C349-C353 HydrophobicContact CB-CB 4.04Å; C349-C353 WeakPolarHBondContact CB-SG 3.31Å; C349-C353 PolarHBondContact N-SG 3Å; C349-C353 WeakPolarHBondContact SG-CB 3.08Å; C349-C353 CovalentContact SG-SG 2.03Å; C349-C353 PolarHBondContact SG-SG 3.26Å
350S90.4Very high95.7Very high80 Ų8056.1 Ų56.156%0.55931%0.308SS*.SBendtrans-69.3-35.2-172.970.20000114.2T250T250-S350 WeakPolarHBondContact CA-OG 3.24Å; T250-S350 PolarHBondContact O-OG 3.2Å
351Y89.8Confident95.7Very high98 Ų9852.8 Ų52.838%0.38428%0.28SS..SBendtrans-124.7130.9-178-53.3-30.9000112T250 C349 C353T250-Y351 WeakPolarHBondContact O-CA 3.33Å; T250-Y351 WeakPolarHBondContact O-CB 3.36Å; T250-Y351 PolarHBondContact O-N 3.42Å; C349-Y351 PolarHBondContact O-N 3.06Å; C349-Y351 PolarHBondContact SG-O 2.94Å; Y351-C353 VanDerWaalsContact C-N 3.32Å; Y351-C353 PolarHBondContact O-N 2.99Å
352Y93.6Very high95.6Very high52 Ų5255.2 Ų55.220%0.20429%0.285CS..SBendtrans62.334.5172.5-38.2-62.7000114.1Q251 S285 F287 H357Q251-Y352 HydrophobicContact CG-CD2 4.29Å; S285-Y352 PolarHBondContact O-OH 2.8Å; F287-Y352 AromaticContact CD1-CD2 3.76Å; F287-Y352 HydrophobicContact CD1-CD2 3.76Å; F287-Y352 HydrophobicContact CD1-CE2 4.1Å; F287-Y352 HydrophobicContact CD1-CG 4.09Å; F287-Y352 AromaticContact CE1-CD1 3.78Å; F287-Y352 HydrophobicContact CE1-CD1 3.78Å; F287-Y352 AromaticContact CE1-CD2 3.65Å; F287-Y352 HydrophobicContact CE1-CD2 3.65Å; F287-Y352 HydrophobicContact CE1-CE1 4.08Å; F287-Y352 AromaticContact CE1-CE2 3.97Å; F287-Y352 HydrophobicContact CE1-CE2 3.97Å; F287-Y352 AromaticContact CE1-CG 3.56Å; F287-Y352 HydrophobicContact CE1-CG 3.56Å; F287-Y352 HydrophobicContact CZ-CD1 4.36Å; F287-Y352 HydrophobicContact CZ-CE1 4.35Å; Y352-H357 AromaticContact CD1-CD2 3.58Å; Y352-H357 AromaticContact CD1-NE2 3.64Å
353C94.6Very high95.5Very high22 Ų2257 Ų5715%0.14930%0.299CS..  trans-113.770.1166.1-74.40000109.6Y346 C349 Y351Y346-C353 WeakPolarHBondContact O-CA 3.45Å; Y346-C353 WeakPolarHBondContact O-CB 3.45Å; Y346-C353 PolarHBondContact O-SG 3.37Å; C349-C353 HydrophobicContact CB-CB 4.04Å; C349-C353 WeakPolarHBondContact CB-SG 3.31Å; C349-C353 PolarHBondContact N-SG 3Å; C349-C353 WeakPolarHBondContact SG-CB 3.08Å; C349-C353 CovalentContact SG-SG 2.03Å; C349-C353 PolarHBondContact SG-SG 3.26Å; Y351-C353 VanDerWaalsContact C-N 3.32Å; Y351-C353 PolarHBondContact O-N 2.99Å
354S95.8Very high95.5Very high40 Ų4057.9 Ų57.928%0.2830%0.303SS..SBendtrans-142.7166.6173.472.70000110.2Y346 E356 H357 A358Y346-S354 WeakPolarHBondContact CB-O 3.41Å; S354-E356 PolarHBondContact O-N 2.89Å; S354-H357 CarbonylContact O-C 3.33Å; S354-H357 WeakPolarHBondContact O-CA 3.46Å; S354-H357 PolarHBondContact O-N 3.45Å; S354-H357 PolarHBondContact OG-ND1 3.09Å; S354-A358 PolarHBondContact O-N 3.06Å; S354-A358 VanDerWaalsContact O-N 3.12Å
355T95.1Very high95.4Very high89 Ų8960.7 Ų60.755%0.54632%0.316SS..G310 helixtrans-55.8-32.9179.1-42.80000113.3F336 H357 A358F336-T355 HydrophobicContact CE1-CG2 4.25Å; F336-T355 HydrophobicContact CE2-CG2 4.3Å; F336-T355 HydrophobicContact CZ-CG2 3.84Å; T355-H357 VanDerWaalsContact C-N 3.25Å; T355-H357 PolarHBondContact O-N 3.41Å; T355-A358 VanDerWaalsContact O-CB 3.29Å; T355-A358 WeakPolarHBondContact O-CB 3.45Å; T355-A358 PolarHBondContact O-N 3.06Å
356E95.1Very high95.4Very high174 Ų17461.2 Ų61.281%0.81332%0.319SS*.G310 helixtrans-67.8-25176.2-59.1170.5146.500113.1S354S354-E356 PolarHBondContact O-N 2.89Å
357H96.2Very high95.5Very high69 Ų6960.3 Ų60.332%0.31932%0.317SS..G310 helixtrans-111.119.4-179.7-5787000111.4Y352 S354 T355Y352-H357 AromaticContact CD1-CD2 3.58Å; Y352-H357 AromaticContact CD1-NE2 3.64Å; S354-H357 CarbonylContact O-C 3.33Å; S354-H357 WeakPolarHBondContact O-CA 3.46Å; S354-H357 PolarHBondContact O-N 3.45Å; S354-H357 PolarHBondContact OG-ND1 3.09Å; T355-H357 VanDerWaalsContact C-N 3.25Å; T355-H357 PolarHBondContact O-N 3.41Å
358A97.1Very high95.6Very high23 Ų2360.2 Ų60.219%0.1932%0.316CS..  trans-65.9139.7-176.300000111.9F336 C344 S354 T355F336-A358 HydrophobicContact CE1-CB 3.65Å; F336-A358 HydrophobicContact CZ-CB 3.61Å; C344-A358 HydrophobicContact CB-CB 4.42Å; S354-A358 PolarHBondContact O-N 3.06Å; S354-A358 VanDerWaalsContact O-N 3.12Å; T355-A358 VanDerWaalsContact O-CB 3.29Å; T355-A358 WeakPolarHBondContact O-CB 3.45Å; T355-A358 PolarHBondContact O-N 3.06Å
359L97.8Very high95.9Very high17 Ų1755.1 Ų55.19%0.08929%0.292CS..EExtended strand (participates in β ladder)trans-91.9118.3179.4-49.3-175.6000107.7L252 P268 K270 C344 F345 I366L252-L359 HydrophobicContact CD2-CD1 3.91Å; P268-L359 HydrophobicContact CB-CD1 3.71Å; P268-L359 HydrophobicContact CG-CD1 3.25Å; K270-L359 HydrophobicContact CG-CD2 4.13Å; C344-L359 CarbonylContact C-O 3.51Å; C344-L359 VanDerWaalsContact CA-O 3.27Å; C344-L359 WeakPolarHBondContact CA-O 3.31Å; F345-L359 HydrophobicContact CD1-CB 4.32Å; F345-L359 HydrophobicContact CE1-CB 4.11Å; F345-L359 PolarHBondContact N-O 3.37Å; F345-L359 PolarHBondContact O-N 2.92Å; L359-I366 HydrophobicContact CB-CD1 3.75Å
360C98Very high96.2Very high56 Ų5653.8 Ų53.838%0.37828%0.283SS..EExtended strand (participates in β ladder)trans-117.7136.4-173-65.50000111.3V343 C344V343-C360 WeakPolarHBondContact O-CA 3.19Å; C344-C360 HydrophobicContact CB-CB 4.1Å; C344-C360 WeakPolarHBondContact CB-SG 3.41Å; C344-C360 WeakPolarHBondContact SG-CB 3.06Å; C344-C360 CovalentContact SG-SG 2.03Å; C344-C360 PolarHBondContact SG-SG 2.96Å
361G97.1Very high96.6Very high1 Ų150.8 Ų50.81%0.0126%0.263CS..  trans-79-176.617400000113.2M318 N342 V343 P363 Q365M318-G361 PolarHBondContact SD-N 3.12Å; M318-G361 VanDerWaalsContact SD-N 3.4Å; N342-G361 VanDerWaalsContact CB-O 3.29Å; N342-G361 WeakPolarHBondContact CB-O 3.12Å; V343-G361 PolarHBondContact O-N 3.39Å; G361-P363 VanDerWaalsContact C-C 3.47Å; G361-P363 CarbonylContact C-O 3.49Å; G361-Q365 WeakPolarHBondContact CA-O 3.44Å
362K95.9Very high97Very high181 Ų18146.4 Ų46.479%0.78725%0.247SC*.SBendtrans-138.979.9173.3-65.6-179.2-175.1170.80112Q365K362-Q365 PolarHBondContact N-O 2.9Å
363P95.9Very high97.2Very high77 Ų7746.8 Ų46.850%0.525%0.25SC..SBendcis-81.3-27.2-2.733-34.7000113.5N342 V343 G361N342-P363 CarbonylContact C-O 3.56Å; N342-P363 WeakPolarHBondContact CA-O 3.42Å; N342-P363 WeakPolarHBondContact OD1-CA 3.33Å; V343-P363 PolarHBondContact N-O 3.25Å; G361-P363 VanDerWaalsContact C-C 3.47Å; G361-P363 CarbonylContact C-O 3.49Å
364D97.6Very high97.4Very high33 Ų3346.6 Ų46.618%0.17625%0.247CC..SBendtrans-135.91.6-174.476.3-15.9000114.7N317 M318 T319 V343N317-D364 PolarHBondContact ND2-OD2 3.09Å; N317-D364 PolarHBondContact OD1-OD2 3.42Å; M318-D364 WeakPolarHBondContact CB-O 3.41Å; M318-D364 VanDerWaalsContact CG-O 3.25Å; M318-D364 WeakPolarHBondContact CG-O 3.25Å; M318-D364 PolarHBondContact N-O 2.87Å; T319-D364 WeakPolarHBondContact OG1-CB 3.2Å; T319-D364 PolarHBondContact OG1-OD2 3.36Å; V343-D364 HydrophobicContact CB-CB 4.15Å; V343-D364 HydrophobicContact CG2-CB 3.74Å
365Q97.8Very high97.4Very high60 Ų6044.8 Ų44.828%0.2824%0.235SC..EExtended strand (participates in β ladder)trans-88.4134.3175.5-61.3-56.8-59.400111.2L315 N317 G361 K362L315-Q365 HydrophobicContact CD1-CB 4.02Å; L315-Q365 HydrophobicContact CD2-CB 4.11Å; L315-Q365 HydrophobicContact CD2-CG 4.2Å; L315-Q365 HydrophobicContact CG-CB 4.04Å; N317-Q365 VanDerWaalsContact CB-NE2 3.34Å; N317-Q365 PolarHBondContact ND2-NE2 3.19Å; G361-Q365 WeakPolarHBondContact CA-O 3.44Å; K362-Q365 PolarHBondContact N-O 2.9Å
366I97.9Very high97.3Very high10 Ų1044.3 Ų44.35%0.05123%0.229CC..EExtended strand (participates in β ladder)trans-131.2140.5170.7-164.6168.2000111.8F266 P268 M269 V316 M318 L359F266-I366 HydrophobicContact CZ-CG2 4.35Å; P268-I366 HydrophobicContact CB-CD1 4.04Å; M269-I366 HydrophobicContact CB-CG1 4.42Å; V316-I366 PolarHBondContact N-O 2.9Å; V316-I366 PolarHBondContact O-N 2.72Å; M318-I366 HydrophobicContact CG-CB 3.98Å; M318-I366 HydrophobicContact CG-CG2 3.46Å; M318-I366 VanDerWaalsContact CG-CG2 3.46Å; M318-I366 HydrophobicContact SD-CB 3.67Å; M318-I366 HydrophobicContact SD-CD1 4.38Å; M318-I366 HydrophobicContact SD-CG2 3.8Å; L359-I366 HydrophobicContact CB-CD1 3.75Å
367E98Very high97.1Very high46 Ų4640.4 Ų40.422%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-79.7147.4173.3-63.1-179.3-125.900110.8M269 R273 H290 L315 L516M269-E367 HydrophobicContact CB-CB 4.26Å; M269-E367 VanDerWaalsContact CB-O 3.29Å; M269-E367 WeakPolarHBondContact CB-O 3.41Å; M269-E367 PolarHBondContact N-O 3.29Å; M269-E367 HydrophobicContact SD-CB 4.31Å; R273-E367 IonicContact CZ-OE2 3.95Å; R273-E367 IonicContact NH1-OE1 3.36Å; R273-E367 PolarHBondContact NH1-OE1 3.09Å; R273-E367 IonicContact NH1-OE2 3.21Å; R273-E367 PolarHBondContact NH1-OE2 3.36Å; R273-E367 IonicContact NH2-OE2 3.8Å; R273-E367 PolarHBondContact NH2-OE2 2.91Å; H290-E367 IonicContact NE2-OE2 2.64Å; L315-E367 HydrophobicContact CD1-CG 3.61Å; E367-L516 HydrophobicContact CB-CD1 4.07Å; E367-L516 HydrophobicContact CB-CD2 4.19Å; E367-L516 HydrophobicContact CG-CD2 3.88Å
368G98.4Very high96.9Very high0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-170.1168.5172.400000113.4K267 R314K267-G368 CarbonylContact O-C 3.58Å; K267-G368 VanDerWaalsContact O-CA 3.22Å; K267-G368 WeakPolarHBondContact O-CA 3.25Å; R314-G368 PolarHBondContact N-O 3Å; R314-G368 PolarHBondContact O-N 2.98Å
369S98.8Very high96.6Very high1 Ų144.2 Ų44.21%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-101.9132.1-179.459.80000109.9F266 K267 H290F266-S369 WeakPolarHBondContact CA-O 3.21Å; K267-S369 PolarHBondContact N-O 2.81Å; K267-S369 PolarHBondContact O-N 3.17Å; H290-S369 WeakPolarHBondContact CA-OG 3.46Å; H290-S369 WeakPolarHBondContact O-CB 3.49Å
370L98.8Very high96.4Very high0 Ų043.6 Ų43.60%024%0.237CC..EExtended strand (participates in β ladder)trans-105.5107.6171.8-71.7168.9000109.1L235 M256 F258 A264 F266 V311 A312 R314L235-L370 HydrophobicContact CB-CB 4.34Å; L235-L370 HydrophobicContact CD2-CB 4.21Å; L235-L370 WeakPolarHBondContact O-CD1 3.46Å; M256-L370 HydrophobicContact CB-CD2 4.42Å; M256-L370 HydrophobicContact CG-CD2 4.38Å; M256-L370 HydrophobicContact SD-CD2 3.68Å; F258-L370 HydrophobicContact CZ-CD1 4.15Å; A264-L370 HydrophobicContact CB-CB 4.11Å; A264-L370 HydrophobicContact CB-CD2 3.85Å; F266-L370 HydrophobicContact CB-CD2 3.73Å; F266-L370 HydrophobicContact CD2-CD2 3.71Å; F266-L370 HydrophobicContact CD2-CG 4.04Å; F266-L370 HydrophobicContact CG-CD2 4.18Å; V311-L370 WeakPolarHBondContact CA-O 3.36Å; A312-L370 PolarHBondContact N-O 3.3Å; A312-L370 PolarHBondContact O-N 3.26Å; R314-L370 HydrophobicContact CB-CD1 3.85Å; R314-L370 VanDerWaalsContact CD-CD1 3.42Å; R314-L370 HydrophobicContact CG-CD1 4.29Å
371A98.7Very high96.3Very high17 Ų1746.9 Ų46.914%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-90.1124169.800000109.5A264 L265 V311 F373A264-A371 CarbonylContact C-O 3.56Å; A264-A371 WeakPolarHBondContact CA-O 3.45Å; A264-A371 WeakPolarHBondContact CB-O 3.35Å; L265-A371 HydrophobicContact CB-CB 4.42Å; L265-A371 PolarHBondContact N-O 3.04Å; L265-A371 PolarHBondContact O-N 3.08Å; V311-A371 HydrophobicContact CG1-CB 4.38Å; V311-A371 HydrophobicContact CG2-CB 3.75Å; A371-F373 PolarHBondContact O-N 3.36Å
372A98.6Very high96.4Very high6 Ų649 Ų495%0.0525%0.253CS..EExtended strand (participates in β ladder)trans-56.6134.6175.100000110.5F211 L231 L235 P310F211-A372 HydrophobicContact CE1-CB 4.45Å; L231-A372 HydrophobicContact CD2-CB 4.11Å; L231-A372 HydrophobicContact CG-CB 4.49Å; L235-A372 HydrophobicContact CD1-CB 4.29Å; L235-A372 HydrophobicContact CD2-CB 4.26Å; P310-A372 HydrophobicContact CB-CB 4.35Å; P310-A372 PolarHBondContact O-N 2.86Å
373F97.8Very high96.4Very high61 Ų6144.8 Ų44.827%0.26823%0.234SC..PPolyproline II helixtrans-62.3139174.4-9434.9000110.7H212 I255 Q263 L265 A371H212-F373 PolarHBondContact NE2-O 3.14Å; I255-F373 HydrophobicContact CB-CZ 4.27Å; I255-F373 HydrophobicContact CD1-CZ 4.09Å; I255-F373 HydrophobicContact CG1-CZ 3.94Å; I255-F373 HydrophobicContact CG2-CE1 4.24Å; I255-F373 HydrophobicContact CG2-CE2 4.1Å; I255-F373 HydrophobicContact CG2-CZ 3.57Å; Q263-F373 HydrophobicContact CB-CB 4.13Å; Q263-F373 HydrophobicContact CB-CD1 4.18Å; Q263-F373 HydrophobicContact CB-CD2 3.7Å; Q263-F373 HydrophobicContact CB-CE2 4.14Å; Q263-F373 HydrophobicContact CB-CG 3.74Å; Q263-F373 WeakPolarHBondContact O-CB 3.38Å; Q263-F373 PolarHBondContact O-N 3.35Å; L265-F373 HydrophobicContact CB-CD1 4.33Å; L265-F373 HydrophobicContact CB-CE1 3.86Å; L265-F373 HydrophobicContact CD1-CE1 4.3Å; A371-F373 PolarHBondContact O-N 3.36Å
374L97.9Very high96.5Very high17 Ų1745.1 Ų45.19%0.08924%0.235CC..PPolyproline II helixtrans-68.4163.6157.7-68.4-178.6000109.8F211 I215 L220 P309 F447 I457 L459F211-L374 HydrophobicContact CE1-CD2 4.46Å; F211-L374 HydrophobicContact CZ-CD2 4.13Å; I215-L374 HydrophobicContact CD1-CD2 4.31Å; L220-L374 HydrophobicContact CD1-CD2 4.38Å; L220-L374 HydrophobicContact CD2-CD2 3.7Å; P309-L374 HydrophobicContact CB-CD2 4.34Å; P309-L374 HydrophobicContact CG-CD1 4.31Å; P309-L374 HydrophobicContact CG-CD2 3.98Å; P309-L374 HydrophobicContact CG-CG 4.01Å; L374-F447 HydrophobicContact CD1-CZ 4.4Å; L374-F447 HydrophobicContact CD2-CZ 4.42Å; L374-I457 HydrophobicContact CD1-CD1 4.18Å; L374-I457 HydrophobicContact CD1-CG2 3.9Å; L374-L459 HydrophobicContact CD1-CD2 4.14Å
375P96.2Very high96.6Very high3 Ų345.2 Ų45.22%0.01923%0.233CC..PPolyproline II helixtrans-58.7152.5178.5-13.723.2000111.8L163 F164 H212 I215 A380 R382L163-P375 HydrophobicContact CD2-CG 4.05Å; F164-P375 HydrophobicContact CE2-CB 4Å; F164-P375 HydrophobicContact CE2-CG 3.68Å; F164-P375 HydrophobicContact CZ-CB 3.65Å; F164-P375 HydrophobicContact CZ-CG 3.83Å; H212-P375 HydrophobicContact CB-CG 3.95Å; I215-P375 HydrophobicContact CD1-CG 4.03Å; P375-A380 HydrophobicContact CB-CB 3.95Å; P375-A380 HydrophobicContact CG-CB 4.26Å; P375-R382 PolarHBondContact O-NH1 2.86Å
376D92.9Very high96.6Very high79 Ų7948.8 Ų48.842%0.42224%0.244SC..PPolyproline II helixtrans-61.6148.4-178.1-174.4-99.8000112S378 L379 A380D376-S378 PolarHBondContact O-N 2.95Å; D376-S378 VanDerWaalsContact OD1-CB 3.25Å; D376-S378 WeakPolarHBondContact OD1-CB 3.42Å; D376-S378 PolarHBondContact OD1-N 3.2Å; D376-S378 PolarHBondContact OD1-OG 2.75Å; D376-L379 PolarHBondContact O-N 2.83Å; D376-A380 PolarHBondContact O-N 3.04Å
377L92.4Very high96.6Very high91 Ų9148.8 Ų48.848%0.47624%0.244SC..THydrogen-bonded Turntrans-65.8-18.7-176.7-73.7169.3000113.6L379 K381 R382L377-L379 VanDerWaalsContact C-N 3.33Å; L377-K381 WeakPolarHBondContact O-CG 3.22Å; L377-R382 HydrophobicContact CD2-CB 4.09Å; L377-R382 HydrophobicContact CD2-CG 4.45Å
378S90.3Very high96.6Very high97 Ų9747.4 Ų47.468%0.67824%0.239SC*.THydrogen-bonded Turntrans-70.4-26.6169.860.90000113.5D376D376-S378 PolarHBondContact O-N 2.95Å; D376-S378 VanDerWaalsContact OD1-CB 3.25Å; D376-S378 WeakPolarHBondContact OD1-CB 3.42Å; D376-S378 PolarHBondContact OD1-N 3.2Å; D376-S378 PolarHBondContact OD1-OG 2.75Å
379L90.9Very high96.6Very high75 Ų7548 Ų4839%0.39324%0.241SC..THydrogen-bonded Turntrans-102.2-44.2-177.6-61.7177.5000112.4F164 F172 T177 D376 L377F164-L379 HydrophobicContact CE1-CB 4.1Å; F164-L379 HydrophobicContact CZ-CB 4.39Å; F172-L379 HydrophobicContact CE1-CD1 4Å; T177-L379 HydrophobicContact CG2-CD1 3.93Å; D376-L379 PolarHBondContact O-N 2.83Å; L377-L379 VanDerWaalsContact C-N 3.33Å
380A94.7Very high96.5Very high4 Ų450.9 Ų50.93%0.03325%0.252CS..SBendtrans-129.686.6177.700000110.2L163 F164 P375 D376 R382 F447L163-A380 HydrophobicContact CD1-CB 4.09Å; L163-A380 HydrophobicContact CD2-CB 3.86Å; L163-A380 HydrophobicContact CG-CB 4.18Å; F164-A380 HydrophobicContact CE1-CB 4.36Å; F164-A380 HydrophobicContact CZ-CB 3.89Å; P375-A380 HydrophobicContact CB-CB 3.95Å; P375-A380 HydrophobicContact CG-CB 4.26Å; D376-A380 PolarHBondContact O-N 3.04Å; A380-R382 PolarHBondContact O-N 3.24Å; A380-R382 PolarHBondContact O-NH1 3.32Å; A380-F447 HydrophobicContact CB-CD1 4.25Å; A380-F447 HydrophobicContact CB-CE1 4.25Å
381K96.5Very high96.4Very high125 Ų12551.6 Ų51.654%0.54325%0.254SS..  trans-55.3139.7173.5-63.4-175.2-173.4175.60111L377 E448L377-K381 WeakPolarHBondContact O-CG 3.22Å; K381-E448 HydrophobicContact CB-CB 3.9Å; K381-E448 VanDerWaalsContact CB-OE2 3.26Å; K381-E448 WeakPolarHBondContact CB-OE2 3.31Å; K381-E448 WeakPolarHBondContact CD-OE2 3.32Å; K381-E448 WeakPolarHBondContact O-CB 3.44Å; K381-E448 PolarHBondContact O-N 3.4Å
382R97.6Very high96.2Very high47 Ų4752 Ų5218%0.17726%0.256CS..EExtended strand (participates in β ladder)trans-122.9140174-66.5-179-59.9-81.88.7109.7P375 L377 A380 E445 T446 F447 I457P375-R382 PolarHBondContact O-NH1 2.86Å; L377-R382 HydrophobicContact CD2-CB 4.09Å; L377-R382 HydrophobicContact CD2-CG 4.45Å; A380-R382 PolarHBondContact O-N 3.24Å; A380-R382 PolarHBondContact O-NH1 3.32Å; R382-E445 WeakPolarHBondContact CB-OE2 3.46Å; R382-E445 VanDerWaalsContact CD-OE2 3.26Å; R382-E445 WeakPolarHBondContact CD-OE2 3.42Å; R382-E445 IonicContact CZ-OE2 3.97Å; R382-E445 IonicContact NE-OE2 2.81Å; R382-E445 PolarHBondContact NE-OE2 3.03Å; R382-T446 CarbonylContact C-O 3.57Å; R382-T446 VanDerWaalsContact CA-O 3.26Å; R382-T446 WeakPolarHBondContact CA-O 3.35Å; R382-F447 HydrophobicContact CG-CD1 3.67Å; R382-F447 HydrophobicContact CG-CE1 3.84Å; R382-F447 HydrophobicContact CG-CG 4.42Å; R382-I457 HydrophobicContact CG-CD1 4.32Å
383K97.6Very high95.9Very high92 Ų9254.2 Ų54.240%0.426%0.264SS..EExtended strand (participates in β ladder)trans-98.6115.1176.9-176.3171176.3-177.20108.9W385 E445 T446K383-W385 HydrophobicContact CD-CD2 4.41Å; K383-W385 HydrophobicContact CD-CH2 4.14Å; K383-W385 HydrophobicContact CD-CZ2 3.56Å; K383-W385 VanDerWaalsContact CE-CZ2 3.46Å; K383-W385 HydrophobicContact CG-CD2 4.41Å; K383-W385 HydrophobicContact CG-CZ2 4.32Å; K383-E445 WeakPolarHBondContact O-CA 3.47Å; K383-T446 PolarHBondContact N-O 2.62Å; K383-T446 PolarHBondContact O-N 3.29Å; K383-T446 VanDerWaalsContact O-N 3.09Å
384T97.8Very high95.6Very high83 Ų8356.3 Ų56.351%0.50927%0.274SS..EExtended strand (participates in β ladder)trans-75.5132.4169.3-45.80000109.6H443 Y444T384-H443 HydrophobicContact CG2-CB 3.94Å; T384-Y444 WeakPolarHBondContact CA-O 3.4Å
385W98.1Very high95.4Very high36 Ų3662.2 Ų62.214%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-118.8143.6175.5-59.990.9000109.5K383 P416 R422 H443 Y444 T446 N452K383-W385 HydrophobicContact CD-CD2 4.41Å; K383-W385 HydrophobicContact CD-CH2 4.14Å; K383-W385 HydrophobicContact CD-CZ2 3.56Å; K383-W385 VanDerWaalsContact CE-CZ2 3.46Å; K383-W385 HydrophobicContact CG-CD2 4.41Å; K383-W385 HydrophobicContact CG-CZ2 4.32Å; W385-P416 HydrophobicContact CE3-CG 4.07Å; W385-P416 HydrophobicContact CH2-CB 4.03Å; W385-P416 HydrophobicContact CH2-CG 3.7Å; W385-P416 HydrophobicContact CZ2-CG 4.35Å; W385-P416 HydrophobicContact CZ3-CB 4.31Å; W385-P416 HydrophobicContact CZ3-CG 3.58Å; W385-R422 VanDerWaalsContact CE2-NH1 3.34Å; W385-H443 CarbonylContact O-C 3.55Å; W385-H443 WeakPolarHBondContact O-CA 3.48Å; W385-H443 WeakPolarHBondContact O-CB 3.32Å; W385-H443 PolarHBondContact O-CD2 3.16Å; W385-Y444 HydrophobicContact CB-CD1 4.04Å; W385-Y444 HydrophobicContact CB-CD2 4.04Å; W385-Y444 HydrophobicContact CB-CE1 3.55Å; W385-Y444 HydrophobicContact CB-CE2 3.58Å; W385-Y444 HydrophobicContact CB-CG 4.26Å; W385-Y444 AromaticContact CD1-CD2 3.98Å; W385-Y444 AromaticContact CD1-CE2 3.46Å; W385-Y444 VanDerWaalsContact CD1-CE2 3.46Å; W385-Y444 HydrophobicContact CG-CD2 4.32Å; W385-Y444 HydrophobicContact CG-CE1 4.41Å; W385-Y444 AromaticContact CG-CE2 3.63Å; W385-Y444 HydrophobicContact CG-CE2 3.63Å; W385-Y444 AromaticContact CG-CZ 3.68Å; W385-Y444 PolarHBondContact N-O 3.46Å; W385-Y444 PolarHBondContact O-N 2.9Å; W385-T446 PolarHBondContact NE1-OG1 3.33Å; W385-N452 WeakPolarHBondContact CH2-OD1 3.47Å; W385-N452 WeakPolarHBondContact CZ2-OD1 3.3Å
386R97.8Very high95.2Very high135 Ų13573.3 Ų73.351%0.50934%0.34SS..EExtended strand (participates in β ladder)trans-78.4129.3169176.9172.5162.4-177.1-9.1109.2R390 Y417R386-R390 HydrophobicContact CG-CB 4.38Å; R386-Y417 PolarHBondContact O-OH 3.32Å
387N98.3Very high95.3Very high10 Ų1075.8 Ų75.85%0.05335%0.347CS..  trans-66.5130171.2-175.9-4.9000108.6W389 R390 R441 H442N387-W389 PolarHBondContact O-N 2.73Å; N387-W389 PolarHBondContact OD1-N 3.4Å; N387-W389 VanDerWaalsContact OD1-N 3.1Å; N387-R390 HydrophobicContact CB-CB 4.44Å; N387-R390 WeakPolarHBondContact O-CB 3.27Å; N387-R390 PolarHBondContact O-N 3.21Å; N387-R441 WeakPolarHBondContact CB-O 3.33Å; N387-R441 PolarHBondContact ND2-O 2.83Å; N387-H442 PolarHBondContact N-O 3.35Å; N387-H442 VanDerWaalsContact N-O 3.12Å
388P98.3Very high95.4Very high17 Ų1777.2 Ų77.211%0.1135%0.35CS..THydrogen-bonded Turntrans-56.3-42174.4-24.534.7000111.3R390 Y407 V411 Y417P388-R390 PolarHBondContact O-N 2.89Å; P388-R390 VanDerWaalsContact O-N 3.07Å; P388-Y407 HydrophobicContact CB-CE1 4.18Å; P388-Y407 PolarHBondContact O-OH 3.47Å; P388-V411 HydrophobicContact CB-CG1 4.22Å; P388-V411 HydrophobicContact CB-CG2 3.84Å; P388-V411 HydrophobicContact CG-CG1 3.93Å; P388-V411 HydrophobicContact CG-CG2 4.43Å; P388-Y417 HydrophobicContact CG-CD2 4.2Å; P388-Y417 HydrophobicContact CG-CE1 4.24Å; P388-Y417 HydrophobicContact CG-CE2 3.6Å
389W98.6Very high95.7Very high11 Ų1173 Ų734%0.04232%0.321CS..THydrogen-bonded Turntrans-80.421176-61.9-92.6000114.4N387 R391 W401 Y407 C408 V411 L423 I426 M427 P478 C482N387-W389 PolarHBondContact O-N 2.73Å; N387-W389 PolarHBondContact OD1-N 3.4Å; N387-W389 VanDerWaalsContact OD1-N 3.1Å; W389-R391 PolarHBondContact O-N 2.86Å; W389-R391 VanDerWaalsContact O-N 3.15Å; W389-W401 VanDerWaalsContact C-NE1 3.3Å; W389-W401 AromaticContact CD1-CD1 3.98Å; W389-W401 AromaticContact CD1-CD2 3.87Å; W389-W401 AromaticContact CD1-CG 3.58Å; W389-W401 HydrophobicContact CG-CG 4.35Å; W389-W401 PolarHBondContact O-NE1 3.39Å; W389-W401 VanDerWaalsContact O-NE1 3.11Å; W389-Y407 HydrophobicContact CZ2-CD1 4.36Å; W389-Y407 AromaticContact NE1-CD1 3.8Å; W389-C408 HydrophobicContact CZ2-CB 3.9Å; W389-V411 HydrophobicContact CH2-CB 4.03Å; W389-V411 HydrophobicContact CH2-CG1 3.7Å; W389-V411 HydrophobicContact CH2-CG2 4.04Å; W389-V411 HydrophobicContact CZ2-CB 4.46Å; W389-V411 HydrophobicContact CZ2-CG2 4.15Å; W389-V411 HydrophobicContact CZ3-CG1 4.08Å; W389-L423 HydrophobicContact CH2-CD1 4.09Å; W389-L423 HydrophobicContact CZ3-CD1 4.44Å; W389-I426 HydrophobicContact CE3-CG2 3.96Å; W389-I426 HydrophobicContact CZ3-CG2 3.88Å; W389-M427 HydrophobicContact CH2-CE 4.2Å; W389-M427 HydrophobicContact CZ3-CE 4.27Å; W389-P478 HydrophobicContact CB-CG 3.91Å; W389-P478 HydrophobicContact CD2-CB 3.64Å; W389-P478 HydrophobicContact CD2-CG 3.73Å; W389-P478 HydrophobicContact CE3-CB 3.92Å; W389-P478 HydrophobicContact CE3-CG 4.21Å; W389-P478 HydrophobicContact CG-CB 4.02Å; W389-P478 HydrophobicContact CG-CG 3.55Å; W389-P478 HydrophobicContact CH2-CB 4.48Å; W389-P478 HydrophobicContact CZ2-CB 4.22Å; W389-P478 HydrophobicContact CZ3-CB 4.33Å; W389-C482 WeakPolarHBondContact CH2-SG 3.44Å; W389-C482 WeakPolarHBondContact CZ2-SG 3.35Å
390R97.6Very high96Very high63 Ų6374.2 Ų74.224%0.23832%0.324CS..  trans-57.4120.4168.5175.1-177.5178.3-73.56109.3R386 N387 P388 Y393 H442R386-R390 HydrophobicContact CG-CB 4.38Å; N387-R390 HydrophobicContact CB-CB 4.44Å; N387-R390 WeakPolarHBondContact O-CB 3.27Å; N387-R390 PolarHBondContact O-N 3.21Å; P388-R390 PolarHBondContact O-N 2.89Å; P388-R390 VanDerWaalsContact O-N 3.07Å; R390-Y393 HydrophobicContact CG-CD2 4.33Å; R390-Y393 HydrophobicContact CG-CE2 3.93Å; R390-Y393 VanDerWaalsContact CZ-CD2 3.49Å; R390-H442 HydrophobicContact CG-CB 3.73Å
391R96.6Very high96.1Very high14 Ų1474.7 Ų74.75%0.05333%0.325CS..  trans-57.5169.1172.7-63.3176.8-170.6-86.50.2112.2Y283 W389 Y393 W401 M439 S474Y283-R391 HydrophobicContact CE1-CB 4.3Å; Y283-R391 HydrophobicContact CE2-CB 3.69Å; Y283-R391 HydrophobicContact CE2-CG 4.38Å; Y283-R391 WeakPolarHBondContact OH-CB 3.44Å; W389-R391 PolarHBondContact O-N 2.86Å; W389-R391 VanDerWaalsContact O-N 3.15Å; R391-Y393 HydrophobicContact CB-CE2 4.17Å; R391-Y393 WeakPolarHBondContact O-CD2 3.11Å; R391-Y393 PolarHBondContact O-N 3.02Å; R391-W401 HydrophobicContact CG-CZ2 3.83Å; R391-M439 WeakPolarHBondContact CD-O 3.42Å; R391-M439 PolarHBondContact NE-O 3.3Å; R391-S474 PolarHBondContact NH1-OG 3.29Å; R391-S474 PolarHBondContact NH2-OG 3.22Å
392S92.8Very high96.2Very high25 Ų2571.5 Ų71.518%0.17531%0.312CS..  trans-67.9-28-176.365.30000115.3Y283 H394 K397Y283-S392 PolarHBondContact OH-OG 3.22Å; S392-H394 PolarHBondContact O-N 2.92Å; S392-H394 PolarHBondContact OG-N 3.39Å; S392-H394 PolarHBondContact OG-O 3.25Å; S392-K397 WeakPolarHBondContact CB-O 3.39Å; S392-K397 PolarHBondContact OG-O 3.17Å
393Y92.3Very high96.1Very high53 Ų5374.1 Ų74.121%0.20833%0.334CS..  trans56.728.7-166.1-67.5-99.7000113.1Y283 F284 R390 R391 D440 H442Y283-Y393 HydrophobicContact CD2-CE1 4.12Å; Y283-Y393 HydrophobicContact CE2-CD1 4.03Å; Y283-Y393 HydrophobicContact CE2-CD2 4.2Å; Y283-Y393 AromaticContact CE2-CE1 3.9Å; Y283-Y393 HydrophobicContact CE2-CE1 3.9Å; Y283-Y393 HydrophobicContact CE2-CE2 4.05Å; Y283-Y393 HydrophobicContact CE2-CG 4.15Å; Y283-Y393 AromaticContact CE2-CZ 3.87Å; Y283-Y393 WeakPolarHBondContact OH-CA 3.48Å; Y283-Y393 PolarHBondContact OH-N 3.46Å; F284-Y393 HydrophobicContact CB-CD1 3.67Å; F284-Y393 HydrophobicContact CB-CE1 3.89Å; F284-Y393 HydrophobicContact CD1-CD1 4.33Å; F284-Y393 HydrophobicContact CG-CD1 4.33Å; R390-Y393 HydrophobicContact CG-CD2 4.33Å; R390-Y393 HydrophobicContact CG-CE2 3.93Å; R390-Y393 VanDerWaalsContact CZ-CD2 3.49Å; R391-Y393 HydrophobicContact CB-CE2 4.17Å; R391-Y393 WeakPolarHBondContact O-CD2 3.11Å; R391-Y393 PolarHBondContact O-N 3.02Å; Y393-D440 VanDerWaalsContact CE1-OD1 3.3Å; Y393-D440 WeakPolarHBondContact CE1-OD1 3.08Å; Y393-D440 WeakPolarHBondContact OH-CA 3.25Å; Y393-D440 PolarHBondContact OH-O 3.35Å; Y393-D440 VanDerWaalsContact OH-O 3.11Å; Y393-D440 PolarHBondContact OH-OD1 2.86Å; Y393-H442 AromaticContact CE1-CD2 3.95Å; Y393-H442 HydrophobicContact CE2-CB 3.8Å; Y393-H442 AromaticContact CZ-CD2 3.74Å; Y393-H442 WeakPolarHBondContact OH-CB 3.4Å
394H93.4Very high96.1Very high105 Ų10572.6 Ų72.649%0.48633%0.33SS..SBendtrans-142.2128.7-176-178.7-106.8000111.9S392 R396 K397S392-H394 PolarHBondContact O-N 2.92Å; S392-H394 PolarHBondContact OG-N 3.39Å; S392-H394 PolarHBondContact OG-O 3.25Å; H394-R396 PolarHBondContact O-N 2.86Å; H394-K397 HydrophobicContact CB-CB 4.18Å; H394-K397 VanDerWaalsContact ND1-CB 3.33Å; H394-K397 WeakPolarHBondContact ND1-CB 3.3Å; H394-K397 PolarHBondContact ND1-N 3.26Å; H394-K397 VanDerWaalsContact ND1-N 3.17Å; H394-K397 PolarHBondContact O-N 3.31Å
395K91.8Very high96Very high141 Ų14173 Ų7361%0.61333%0.334SS*.THydrogen-bonded Turntrans-59.7-11.9-170-60.4-175.2-178.3-176.90116.2F282 F284F282-K395 HydrophobicContact CD1-CG 4.45Å; F282-K395 HydrophobicContact CD2-CD 4.49Å; F282-K395 HydrophobicContact CD2-CG 4.31Å; F282-K395 HydrophobicContact CE1-CB 4.05Å; F282-K395 HydrophobicContact CE1-CG 4.1Å; F282-K395 HydrophobicContact CE2-CB 4.4Å; F282-K395 HydrophobicContact CE2-CD 4.03Å; F282-K395 HydrophobicContact CE2-CG 3.95Å; F282-K395 HydrophobicContact CZ-CB 3.83Å; F282-K395 HydrophobicContact CZ-CD 4.3Å; F282-K395 HydrophobicContact CZ-CG 3.83Å; F284-K395 HydrophobicContact CZ-CG 3.94Å
396R92.6Very high95.9Very high236 Ų23676.7 Ų76.789%0.89136%0.356SS*.THydrogen-bonded Turntrans-133.4-7.9-176.5-61.4-177.8-179.7170.6-0.5115.2H394H394-R396 PolarHBondContact O-N 2.86Å
397K95Very high95.9Very high131 Ų13171.6 Ų71.657%0.5734%0.337SS*.PPolyproline II helixtrans-103.3134-178.2175.9172179.4-1750108.1S392 H394S392-K397 WeakPolarHBondContact CB-O 3.39Å; S392-K397 PolarHBondContact OG-O 3.17Å; H394-K397 HydrophobicContact CB-CB 4.18Å; H394-K397 VanDerWaalsContact ND1-CB 3.33Å; H394-K397 WeakPolarHBondContact ND1-CB 3.3Å; H394-K397 PolarHBondContact ND1-N 3.26Å; H394-K397 VanDerWaalsContact ND1-N 3.17Å; H394-K397 PolarHBondContact O-N 3.31Å
398K94.9Very high95.9Very high122 Ų12271.1 Ų71.153%0.5334%0.335SS..PPolyproline II helixtrans-83.1150.8166.2-78.2-171.4163.8-158.20110.9E402 V403K398-E402 WeakPolarHBondContact CA-OE2 3.45Å; K398-E402 HydrophobicContact CB-CB 3.99Å; K398-E402 HydrophobicContact CD-CB 4.03Å; K398-E402 HydrophobicContact CG-CB 4.12Å; K398-E402 PolarHBondContact NZ-O 2.92Å; K398-V403 HydrophobicContact CB-CG1 4.01Å; K398-V403 HydrophobicContact CD-CG1 3.42Å; K398-V403 VanDerWaalsContact CD-CG1 3.42Å; K398-V403 HydrophobicContact CG-CG1 4.38Å
399A96.9Very high95.9Very high9 Ų974.1 Ų74.17%0.07435%0.35CS..PPolyproline II helixtrans-72.3162.7162.600000110.7W401 E402A399-W401 HydrophobicContact CB-CG 4.3Å; A399-W401 PolarHBondContact O-N 3.38Å; A399-E402 HydrophobicContact CB-CG 4.29Å; A399-E402 PolarHBondContact N-OE2 3.3Å; A399-E402 WeakPolarHBondContact O-CB 3.29Å; A399-E402 PolarHBondContact O-N 2.91Å; A399-E402 VanDerWaalsContact O-N 3.1Å
400E96.5Very high95.9Very high99 Ų9979.6 Ų79.646%0.46338%0.376SS..G310 helixtrans-59-45.2179.9-7396.6-144.300111.7E402 V403 D404 Y407E400-E402 PolarHBondContact O-N 3.02Å; E400-E402 VanDerWaalsContact O-N 3.12Å; E400-V403 WeakPolarHBondContact O-CG2 3.2Å; E400-V403 PolarHBondContact O-N 3.39Å; E400-D404 PolarHBondContact O-N 3.19Å; E400-Y407 HydrophobicContact CB-CD2 4.04Å; E400-Y407 HydrophobicContact CB-CE2 3.69Å
401W97.8Very high95.9Very high14 Ų1476.9 Ų76.95%0.05337%0.366CS..G310 helixtrans-62.7-17175.767.8-99.1000115.3W389 R391 A399 V403 Y407 S474 V477W389-W401 VanDerWaalsContact C-NE1 3.3Å; W389-W401 AromaticContact CD1-CD1 3.98Å; W389-W401 AromaticContact CD1-CD2 3.87Å; W389-W401 AromaticContact CD1-CG 3.58Å; W389-W401 HydrophobicContact CG-CG 4.35Å; W389-W401 PolarHBondContact O-NE1 3.39Å; W389-W401 VanDerWaalsContact O-NE1 3.11Å; R391-W401 HydrophobicContact CG-CZ2 3.83Å; A399-W401 HydrophobicContact CB-CG 4.3Å; A399-W401 PolarHBondContact O-N 3.38Å; W401-V403 VanDerWaalsContact C-N 3.29Å; W401-Y407 HydrophobicContact CB-CD1 3.53Å; W401-Y407 HydrophobicContact CB-CD2 4.45Å; W401-Y407 HydrophobicContact CB-CE1 3.92Å; W401-Y407 HydrophobicContact CB-CG 3.83Å; W401-S474 WeakPolarHBondContact CH2-O 3.38Å; W401-V477 HydrophobicContact CE3-CB 4.08Å; W401-V477 HydrophobicContact CE3-CG1 3.64Å; W401-V477 HydrophobicContact CZ3-CB 3.88Å; W401-V477 HydrophobicContact CZ3-CG1 3.94Å; W401-V477 HydrophobicContact CZ3-CG2 4.03Å
402E96.9Very high95.9Very high58 Ų5878.9 Ų78.927%0.27138%0.376SS..G310 helixtrans-85.5-0.8176-67-179.6111.900112.8K398 A399 E400K398-E402 WeakPolarHBondContact CA-OE2 3.45Å; K398-E402 HydrophobicContact CB-CB 3.99Å; K398-E402 HydrophobicContact CD-CB 4.03Å; K398-E402 HydrophobicContact CG-CB 4.12Å; K398-E402 PolarHBondContact NZ-O 2.92Å; A399-E402 HydrophobicContact CB-CG 4.29Å; A399-E402 PolarHBondContact N-OE2 3.3Å; A399-E402 WeakPolarHBondContact O-CB 3.29Å; A399-E402 PolarHBondContact O-N 2.91Å; A399-E402 VanDerWaalsContact O-N 3.1Å; E400-E402 PolarHBondContact O-N 3.02Å; E400-E402 VanDerWaalsContact O-N 3.12Å
403V97.1Very high96.1Very high103 Ų10385 Ų8562%0.62440%0.401SS*.THydrogen-bonded Turntrans-130.6-27.2177.6-63.90000113.8K398 E400 W401K398-V403 HydrophobicContact CB-CG1 4.01Å; K398-V403 HydrophobicContact CD-CG1 3.42Å; K398-V403 VanDerWaalsContact CD-CG1 3.42Å; K398-V403 HydrophobicContact CG-CG1 4.38Å; E400-V403 WeakPolarHBondContact O-CG2 3.2Å; E400-V403 PolarHBondContact O-N 3.39Å; W401-V403 VanDerWaalsContact C-N 3.29Å
404D97.5Very high96.4Very high59 Ų5985.1 Ų85.132%0.31641%0.408SS..  trans-99.8115.8176.3178.37.5000110.5E400 D406 Y407 Q481E400-D404 PolarHBondContact O-N 3.19Å; D404-D406 VanDerWaalsContact C-N 3.34Å; D404-D406 PolarHBondContact OD1-N 2.93Å; D404-Y407 PolarHBondContact OD1-N 3.03Å; D404-Y407 WeakPolarHBondContact OD2-CA 3.41Å; D404-Y407 PolarHBondContact OD2-N 2.79Å; D404-Q481 PolarHBondContact O-NE2 3.44Å
405P94.8Very high96.5Very high91 Ų9184.6 Ų84.659%0.59141%0.413SS*.SBendtrans-70-30.8177.430.2-34.4000112.7Q481P405-Q481 WeakPolarHBondContact O-CG 3.12Å; P405-Q481 PolarHBondContact O-NE2 2.76Å
406D96.2Very high96.7Very high114 Ų11478.2 Ų78.261%0.6139%0.387SS*.SBendtrans-96.45.8-170.5-57.2-38.8000112D404 C408 D409D404-D406 VanDerWaalsContact C-N 3.34Å; D404-D406 PolarHBondContact OD1-N 2.93Å; D406-C408 PolarHBondContact O-N 3.27Å; D406-D409 WeakPolarHBondContact O-CB 3.26Å; D406-D409 PolarHBondContact O-N 3Å
407Y98.4Very high96.9Very high28 Ų2867.8 Ų67.811%0.1135%0.347CS..THydrogen-bonded Turntrans-44.8-34.4-176.1-177.4-101.9000115.6P388 W389 E400 W401 D404 D409 E410 V411P388-Y407 HydrophobicContact CB-CE1 4.18Å; P388-Y407 PolarHBondContact O-OH 3.47Å; W389-Y407 HydrophobicContact CZ2-CD1 4.36Å; W389-Y407 AromaticContact NE1-CD1 3.8Å; E400-Y407 HydrophobicContact CB-CD2 4.04Å; E400-Y407 HydrophobicContact CB-CE2 3.69Å; W401-Y407 HydrophobicContact CB-CD1 3.53Å; W401-Y407 HydrophobicContact CB-CD2 4.45Å; W401-Y407 HydrophobicContact CB-CE1 3.92Å; W401-Y407 HydrophobicContact CB-CG 3.83Å; D404-Y407 PolarHBondContact OD1-N 3.03Å; D404-Y407 WeakPolarHBondContact OD2-CA 3.41Å; D404-Y407 PolarHBondContact OD2-N 2.79Å; Y407-D409 PolarHBondContact O-N 3.01Å; Y407-E410 PolarHBondContact O-N 2.82Å; Y407-V411 HydrophobicContact CD1-CG2 3.95Å; Y407-V411 HydrophobicContact CE1-CG2 3.59Å; Y407-V411 PolarHBondContact O-N 2.64Å
408C98.3Very high97Very high1 Ų164 Ų641%0.00733%0.333CS..Hα-helixtrans-65.7-21178.3-166.90000113W389 D406 V411 K412 Q481 C482W389-C408 HydrophobicContact CZ2-CB 3.9Å; D406-C408 PolarHBondContact O-N 3.27Å; C408-V411 CarbonylContact O-C 3.58Å; C408-V411 PolarHBondContact O-N 2.83Å; C408-K412 WeakPolarHBondContact O-CB 3.5Å; C408-K412 WeakPolarHBondContact O-CG 3.43Å; C408-K412 PolarHBondContact O-N 2.69Å; C408-Q481 HydrophobicContact CB-CB 3.78Å; C408-C482 HydrophobicContact CB-CB 4.06Å; C408-C482 WeakPolarHBondContact CB-SG 3.46Å; C408-C482 WeakPolarHBondContact SG-CA 3.21Å; C408-C482 WeakPolarHBondContact SG-CB 3.3Å; C408-C482 CovalentContact SG-SG 2.03Å; C408-C482 PolarHBondContact SG-SG 3.38Å
409D97.8Very high96.9Very high79 Ų7967.3 Ų67.342%0.42234%0.342SS..Hα-helixtrans-72.8-26.7177.8-72.7-4.3000112.6D406 Y407 K412 Q413D406-D409 WeakPolarHBondContact O-CB 3.26Å; D406-D409 PolarHBondContact O-N 3Å; Y407-D409 PolarHBondContact O-N 3.01Å; D409-K412 WeakPolarHBondContact OD1-CD 3.4Å; D409-K412 WeakPolarHBondContact OD1-CE 3.32Å; D409-K412 IonicContact OD1-NZ 3.85Å; D409-K412 PolarHBondContact OD1-NZ 3.29Å; D409-Q413 WeakPolarHBondContact O-CG 3.28Å; D409-Q413 PolarHBondContact O-NE2 2.77Å
410E97.8Very high96.6Very high127 Ų12769.2 Ų69.259%0.59336%0.363SS*.Hα-helixtrans-71-42.5164.8-172.4-179.9160.900110.9Y407 K412 Q413 T414Y407-E410 PolarHBondContact O-N 2.82Å; E410-K412 PolarHBondContact O-N 3.3Å; E410-Q413 PolarHBondContact O-N 2.83Å; E410-Q413 VanDerWaalsContact O-N 3.08Å; E410-T414 PolarHBondContact O-N 2.77Å; E410-T414 PolarHBondContact O-OG1 3.39Å
411V98.3Very high96.6Very high6 Ų667.3 Ų67.34%0.03636%0.358CS..Hα-helixtrans-62.3-43.3178.2-176.70000111.6P388 W389 Y407 C408 Q413 T414 Y417 L423P388-V411 HydrophobicContact CB-CG1 4.22Å; P388-V411 HydrophobicContact CB-CG2 3.84Å; P388-V411 HydrophobicContact CG-CG1 3.93Å; P388-V411 HydrophobicContact CG-CG2 4.43Å; W389-V411 HydrophobicContact CH2-CB 4.03Å; W389-V411 HydrophobicContact CH2-CG1 3.7Å; W389-V411 HydrophobicContact CH2-CG2 4.04Å; W389-V411 HydrophobicContact CZ2-CB 4.46Å; W389-V411 HydrophobicContact CZ2-CG2 4.15Å; W389-V411 HydrophobicContact CZ3-CG1 4.08Å; Y407-V411 HydrophobicContact CD1-CG2 3.95Å; Y407-V411 HydrophobicContact CE1-CG2 3.59Å; Y407-V411 PolarHBondContact O-N 2.64Å; C408-V411 CarbonylContact O-C 3.58Å; C408-V411 PolarHBondContact O-N 2.83Å; V411-Q413 PolarHBondContact O-N 3.22Å; V411-T414 PolarHBondContact O-N 3.31Å; V411-Y417 HydrophobicContact CG1-CD2 3.89Å; V411-Y417 HydrophobicContact CG1-CG 3.86Å; V411-Y417 WeakPolarHBondContact O-CB 3.36Å; V411-L423 HydrophobicContact CG1-CD1 4.26Å
412K97.3Very high96.5Very high56 Ų5666.8 Ų66.824%0.24336%0.356CS..THydrogen-bonded Turntrans-58.3-17.5174.6-72.9167.1-161.8166.90113.1C408 D409 E410 D418 L423C408-K412 WeakPolarHBondContact O-CB 3.5Å; C408-K412 WeakPolarHBondContact O-CG 3.43Å; C408-K412 PolarHBondContact O-N 2.69Å; D409-K412 WeakPolarHBondContact OD1-CD 3.4Å; D409-K412 WeakPolarHBondContact OD1-CE 3.32Å; D409-K412 IonicContact OD1-NZ 3.85Å; D409-K412 PolarHBondContact OD1-NZ 3.29Å; E410-K412 PolarHBondContact O-N 3.3Å; K412-D418 WeakPolarHBondContact O-CA 3.41Å; K412-L423 HydrophobicContact CG-CD2 3.83Å
413Q97.4Very high96.6Very high152 Ų15264.1 Ų64.171%0.7134%0.344SS*.THydrogen-bonded Turntrans-103.9-4.3177-67.6174.382.100113.4D409 E410 V411D409-Q413 WeakPolarHBondContact O-CG 3.28Å; D409-Q413 PolarHBondContact O-NE2 2.77Å; E410-Q413 PolarHBondContact O-N 2.83Å; E410-Q413 VanDerWaalsContact O-N 3.08Å; V411-Q413 PolarHBondContact O-N 3.22Å
414T97Very high96.7Very high57 Ų5759.7 Ų59.735%0.3532%0.317SS..SBendtrans-105.6117.2-170.1-64.50000111.6E410 V411 Y417 D418E410-T414 PolarHBondContact O-N 2.77Å; E410-T414 PolarHBondContact O-OG1 3.39Å; V411-T414 PolarHBondContact O-N 3.31Å; T414-Y417 WeakPolarHBondContact O-CA 3.3Å; T414-Y417 WeakPolarHBondContact O-CB 3.38Å; T414-Y417 WeakPolarHBondContact O-CD2 3.29Å; T414-Y417 PolarHBondContact O-N 3.04Å; T414-D418 PolarHBondContact O-N 3.41Å
415P95.4Very high96.7Very high93 Ų9357 Ų5760%0.60430%0.302SS*.THydrogen-bonded Turntrans-59.4137.5175.1-2534.5000112.5D418P415-D418 VanDerWaalsContact CA-OD1 3.32Å; P415-D418 WeakPolarHBondContact CA-OD1 3.08Å
416P96Very high96.9Very high8 Ų852.6 Ų52.65%0.05227%0.274CS..THydrogen-bonded Turncis-91.912.49.439.4-40.3000114.8W385 R422W385-P416 HydrophobicContact CE3-CG 4.07Å; W385-P416 HydrophobicContact CH2-CB 4.03Å; W385-P416 HydrophobicContact CH2-CG 3.7Å; W385-P416 HydrophobicContact CZ2-CG 4.35Å; W385-P416 HydrophobicContact CZ3-CB 4.31Å; W385-P416 HydrophobicContact CZ3-CG 3.58Å; P416-R422 HydrophobicContact CB-CG 4.41Å; P416-R422 HydrophobicContact CG-CG 4.01Å; P416-R422 WeakPolarHBondContact O-CB 3.25Å
417Y97.8Very high97Very high16 Ų1647.2 Ų47.26%0.06325%0.245CC..THydrogen-bonded Turntrans-86.7-8.2-173.8-48.1-75.2000113.5R386 P388 V411 T414 R419 R422 I426 Y444R386-Y417 PolarHBondContact O-OH 3.32Å; P388-Y417 HydrophobicContact CG-CD2 4.2Å; P388-Y417 HydrophobicContact CG-CE1 4.24Å; P388-Y417 HydrophobicContact CG-CE2 3.6Å; V411-Y417 HydrophobicContact CG1-CD2 3.89Å; V411-Y417 HydrophobicContact CG1-CG 3.86Å; V411-Y417 WeakPolarHBondContact O-CB 3.36Å; T414-Y417 WeakPolarHBondContact O-CA 3.3Å; T414-Y417 WeakPolarHBondContact O-CB 3.38Å; T414-Y417 WeakPolarHBondContact O-CD2 3.29Å; T414-Y417 PolarHBondContact O-N 3.04Å; Y417-R419 VanDerWaalsContact C-N 3.31Å; Y417-R422 HydrophobicContact CD1-CG 3.79Å; Y417-R422 HydrophobicContact CE1-CG 3.9Å; Y417-I426 HydrophobicContact CD1-CG1 4.27Å; Y417-I426 HydrophobicContact CE1-CD1 4.14Å; Y417-I426 HydrophobicContact CE1-CG1 3.89Å; Y417-Y444 WeakPolarHBondContact CE1-OH 3.14Å; Y417-Y444 WeakPolarHBondContact OH-CE1 3.2Å; Y417-Y444 PolarHBondContact OH-OH 3.25Å
418D96.1Very high97Very high52 Ų5245.9 Ų45.928%0.27824%0.24SC..THydrogen-bonded Turntrans-74.8-15.8177.572.8-47.2000113.8K412 T414 P415K412-D418 WeakPolarHBondContact O-CA 3.41Å; T414-D418 PolarHBondContact O-N 3.41Å; P415-D418 VanDerWaalsContact CA-OD1 3.32Å; P415-D418 WeakPolarHBondContact CA-OD1 3.08Å
419R92.9Very high97.1Very high191 Ų19145.9 Ų45.972%0.72124%0.24SC*.SBendtrans-145.4157.8-171.8-67.3171.7-145.8-131.5-8.2113.2Y417Y417-R419 VanDerWaalsContact C-N 3.31Å
420G92.1Very high97.1Very high49 Ų4942.4 Ų42.451%0.50522%0.222SC..THydrogen-bonded Turntrans63-158.4176.200000112.8R422G420-R422 VanDerWaalsContact C-N 3.29Å; G420-R422 PolarHBondContact O-N 2.68Å
421T95.1Very high97.2Very high60 Ų6036.4 Ų36.437%0.36819%0.193SC..THydrogen-bonded Turntrans-79.2-7.3-176.162.10000114.2L423 L424 D425T421-L423 VanDerWaalsContact C-N 3.33Å; T421-L423 PolarHBondContact O-N 2.76Å; T421-L423 VanDerWaalsContact O-N 3.15Å; T421-L424 CarbonylContact O-C 3.46Å; T421-L424 WeakPolarHBondContact O-CA 3.34Å; T421-L424 VanDerWaalsContact O-CB 3.3Å; T421-L424 WeakPolarHBondContact O-CB 3.31Å; T421-L424 PolarHBondContact O-N 2.72Å; T421-D425 VanDerWaalsContact CB-OD2 3.24Å; T421-D425 WeakPolarHBondContact CB-OD2 3.47Å; T421-D425 PolarHBondContact O-N 2.8Å; T421-D425 VanDerWaalsContact O-OD2 3.08Å; T421-D425 PolarHBondContact OG1-OD2 3.45Å
422R97.3Very high97.2Very high2 Ų236.1 Ų36.11%0.00819%0.192CC..Hα-helixtrans-61.8-36.4-159.8-176.756.266.284.97.6114W385 P416 Y417 G420 D425 I426 Y444 N452W385-R422 VanDerWaalsContact CE2-NH1 3.34Å; P416-R422 HydrophobicContact CB-CG 4.41Å; P416-R422 HydrophobicContact CG-CG 4.01Å; P416-R422 WeakPolarHBondContact O-CB 3.25Å; Y417-R422 HydrophobicContact CD1-CG 3.79Å; Y417-R422 HydrophobicContact CE1-CG 3.9Å; G420-R422 VanDerWaalsContact C-N 3.29Å; G420-R422 PolarHBondContact O-N 2.68Å; R422-D425 PolarHBondContact O-N 3.39Å; R422-I426 WeakPolarHBondContact O-CG1 3.12Å; R422-I426 PolarHBondContact O-N 2.77Å; R422-Y444 PolarHBondContact NH1-OH 2.82Å; R422-N452 PolarHBondContact NH2-O 3.22Å
423L98.2Very high97.3Very high2 Ų233.7 Ų33.71%0.0118%0.181CC..Hα-helixtrans-64.7-44.1173.8-175.463.2000111.1W389 V411 K412 T421 D425 I426 M427W389-L423 HydrophobicContact CH2-CD1 4.09Å; W389-L423 HydrophobicContact CZ3-CD1 4.44Å; V411-L423 HydrophobicContact CG1-CD1 4.26Å; K412-L423 HydrophobicContact CG-CD2 3.83Å; T421-L423 VanDerWaalsContact C-N 3.33Å; T421-L423 PolarHBondContact O-N 2.76Å; T421-L423 VanDerWaalsContact O-N 3.15Å; L423-D425 VanDerWaalsContact C-N 3.33Å; L423-D425 PolarHBondContact O-N 2.97Å; L423-I426 WeakPolarHBondContact O-CB 3.35Å; L423-I426 PolarHBondContact O-N 3.23Å; L423-I426 VanDerWaalsContact O-N 3.13Å; L423-M427 HydrophobicContact CD1-CE 3.93Å; L423-M427 HydrophobicContact CG-CE 4.42Å; L423-M427 WeakPolarHBondContact O-CG 3.41Å; L423-M427 PolarHBondContact O-N 3.39Å; L423-M427 VanDerWaalsContact O-N 3.16Å
424L98.3Very high97.3Very high10 Ų1026.4 Ų26.45%0.05215%0.147CC..Hα-helixtrans-63.4-34.7175.9-68.7174.7000113.1T421 I426 M427 D428 R484 K486 E553T421-L424 CarbonylContact O-C 3.46Å; T421-L424 WeakPolarHBondContact O-CA 3.34Å; T421-L424 VanDerWaalsContact O-CB 3.3Å; T421-L424 WeakPolarHBondContact O-CB 3.31Å; T421-L424 PolarHBondContact O-N 2.72Å; L424-I426 VanDerWaalsContact C-N 3.28Å; L424-I426 PolarHBondContact O-N 2.73Å; L424-M427 WeakPolarHBondContact O-CA 3.29Å; L424-M427 WeakPolarHBondContact O-CB 3.36Å; L424-M427 PolarHBondContact O-N 3.15Å; L424-D428 PolarHBondContact O-N 3.1Å; L424-R484 HydrophobicContact CD2-CB 4.04Å; L424-K486 HydrophobicContact CB-CD 4.49Å; L424-K486 HydrophobicContact CB-CG 4.07Å; L424-K486 HydrophobicContact CD1-CG 3.88Å; L424-K486 HydrophobicContact CG-CG 4.41Å; L424-E553 HydrophobicContact CD1-CB 3.96Å; L424-E553 HydrophobicContact CD1-CG 4.47Å; L424-E553 VanDerWaalsContact CD2-OE1 3.3Å; L424-E553 WeakPolarHBondContact CD2-OE1 3.04Å
425D98.4Very high97.4Very high2 Ų223.7 Ų23.71%0.01113%0.131CC..Hα-helixtrans-66.7-30174.5-64.3-55.5000112.1R307 T421 R422 L423 M427 M429 I456 K486R307-D425 IonicContact CZ-OD1 3.65Å; R307-D425 IonicContact NH1-OD1 2.75Å; R307-D425 PolarHBondContact NH1-OD1 3.12Å; R307-D425 IonicContact NH2-OD1 3.59Å; R307-D425 PolarHBondContact NH2-OD1 2.98Å; T421-D425 VanDerWaalsContact CB-OD2 3.24Å; T421-D425 WeakPolarHBondContact CB-OD2 3.47Å; T421-D425 PolarHBondContact O-N 2.8Å; T421-D425 VanDerWaalsContact O-OD2 3.08Å; T421-D425 PolarHBondContact OG1-OD2 3.45Å; R422-D425 PolarHBondContact O-N 3.39Å; L423-D425 VanDerWaalsContact C-N 3.33Å; L423-D425 PolarHBondContact O-N 2.97Å; D425-M427 VanDerWaalsContact C-N 3.34Å; D425-M429 WeakPolarHBondContact O-CB 3.45Å; D425-M429 PolarHBondContact O-N 2.89Å; D425-M429 VanDerWaalsContact O-N 3.16Å; D425-I456 HydrophobicContact CB-CB 4.49Å; D425-I456 HydrophobicContact CB-CD1 3.72Å; D425-I456 HydrophobicContact CB-CG1 3.85Å; D425-K486 IonicContact OD1-NZ 3.97Å; D425-K486 PolarHBondContact OD1-NZ 3.39Å
426I98.7Very high97.6Very high0 Ų019.3 Ų19.30%010%0.102CC..Hα-helixtrans-68.3-34.7167.8-57.6-70.8000110.8W389 Y417 R422 L423 L424 M429 T430 Y444 I456W389-I426 HydrophobicContact CE3-CG2 3.96Å; W389-I426 HydrophobicContact CZ3-CG2 3.88Å; Y417-I426 HydrophobicContact CD1-CG1 4.27Å; Y417-I426 HydrophobicContact CE1-CD1 4.14Å; Y417-I426 HydrophobicContact CE1-CG1 3.89Å; R422-I426 WeakPolarHBondContact O-CG1 3.12Å; R422-I426 PolarHBondContact O-N 2.77Å; L423-I426 WeakPolarHBondContact O-CB 3.35Å; L423-I426 PolarHBondContact O-N 3.23Å; L423-I426 VanDerWaalsContact O-N 3.13Å; L424-I426 VanDerWaalsContact C-N 3.28Å; L424-I426 PolarHBondContact O-N 2.73Å; I426-M429 HydrophobicContact CD1-CE 3.71Å; I426-M429 HydrophobicContact CG2-CE 4.43Å; I426-M429 PolarHBondContact O-N 3.44Å; I426-T430 VanDerWaalsContact O-CB 3.24Å; I426-T430 WeakPolarHBondContact O-CB 3.05Å; I426-T430 PolarHBondContact O-N 3.11Å; I426-T430 PolarHBondContact O-OG1 3.17Å; I426-Y444 HydrophobicContact CD1-CD1 3.93Å; I426-Y444 HydrophobicContact CD1-CE1 3.54Å; I426-I456 HydrophobicContact CD1-CD1 3.5Å; I426-I456 VanDerWaalsContact CD1-CD1 3.5Å; I426-I456 HydrophobicContact CG1-CD1 4.04Å
427M98.8Very high97.7Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-69.3-41.5178-58.1-58.9123.600111.9W389 L423 L424 D425 T430 V431 P478 L479 C482 R484W389-M427 HydrophobicContact CH2-CE 4.2Å; W389-M427 HydrophobicContact CZ3-CE 4.27Å; L423-M427 HydrophobicContact CD1-CE 3.93Å; L423-M427 HydrophobicContact CG-CE 4.42Å; L423-M427 WeakPolarHBondContact O-CG 3.41Å; L423-M427 PolarHBondContact O-N 3.39Å; L423-M427 VanDerWaalsContact O-N 3.16Å; L424-M427 WeakPolarHBondContact O-CA 3.29Å; L424-M427 WeakPolarHBondContact O-CB 3.36Å; L424-M427 PolarHBondContact O-N 3.15Å; D425-M427 VanDerWaalsContact C-N 3.34Å; M427-T430 WeakPolarHBondContact O-CB 3.29Å; M427-T430 PolarHBondContact O-N 3.11Å; M427-V431 WeakPolarHBondContact O-CG2 3.46Å; M427-V431 PolarHBondContact O-N 3.12Å; M427-P478 HydrophobicContact CE-CB 3.82Å; M427-P478 HydrophobicContact SD-CB 4.3Å; M427-L479 HydrophobicContact CB-CD1 3.95Å; M427-L479 HydrophobicContact CG-CD1 4.24Å; M427-L479 HydrophobicContact SD-CB 4.4Å; M427-L479 HydrophobicContact SD-CD1 3.89Å; M427-C482 HydrophobicContact CE-CB 3.9Å; M427-C482 WeakPolarHBondContact CE-SG 3.47Å; M427-C482 HydrophobicContact SD-CB 4Å; M427-R484 VanDerWaalsContact CG-O 3.27Å; M427-R484 WeakPolarHBondContact CG-O 3.46Å
428D98.8Very high97.7Very high1 Ų119.1 Ų19.11%0.00511%0.106CC..Hα-helixtrans-56.5-50.1170.3-65.7-31.2000111.1F305 R307 L424 T430 V431 F432 K486 T489F305-D428 HydrophobicContact CE1-CB 3.93Å; F305-D428 HydrophobicContact CE2-CB 4.05Å; F305-D428 WeakPolarHBondContact CE2-O 3.04Å; F305-D428 HydrophobicContact CZ-CB 3.65Å; R307-D428 IonicContact CZ-OD2 2.82Å; R307-D428 IonicContact NH1-OD2 2.7Å; R307-D428 PolarHBondContact NH1-OD2 3.04Å; R307-D428 IonicContact NH2-OD2 3.09Å; L424-D428 PolarHBondContact O-N 3.1Å; D428-T430 VanDerWaalsContact C-N 3.31Å; D428-T430 PolarHBondContact O-N 3.44Å; D428-V431 PolarHBondContact O-N 2.92Å; D428-F432 WeakPolarHBondContact O-CB 3.4Å; D428-F432 PolarHBondContact O-N 3.03Å; D428-K486 IonicContact OD2-NZ 3.21Å; D428-K486 PolarHBondContact OD2-NZ 3.29Å; D428-T489 PolarHBondContact OD1-OG1 3.18Å
429M98.9Very high97.8Very high1 Ų118.9 Ų18.91%0.00510%0.104CC..Hα-helixtrans-63.8-34.7178.7-174.3177.966.600112.2D425 I426 F432 D433 R441 Y444 I456D425-M429 WeakPolarHBondContact O-CB 3.45Å; D425-M429 PolarHBondContact O-N 2.89Å; D425-M429 VanDerWaalsContact O-N 3.16Å; I426-M429 HydrophobicContact CD1-CE 3.71Å; I426-M429 HydrophobicContact CG2-CE 4.43Å; I426-M429 PolarHBondContact O-N 3.44Å; M429-F432 WeakPolarHBondContact O-CB 3.34Å; M429-F432 PolarHBondContact O-N 3.49Å; M429-D433 WeakPolarHBondContact O-CB 3.28Å; M429-D433 PolarHBondContact O-N 3.36Å; M429-R441 HydrophobicContact CE-CG 3.74Å; M429-R441 HydrophobicContact CG-CG 4.29Å; M429-R441 VanDerWaalsContact SD-CD 3.55Å; M429-R441 HydrophobicContact SD-CG 3.72Å; M429-Y444 HydrophobicContact CE-CD1 4.4Å; M429-I456 HydrophobicContact SD-CG2 3.78Å
430T98.9Very high98Very high6 Ų610.9 Ų10.94%0.0378%0.075CC..Hα-helixtrans-65.5-44.4175.5-66.60000111.7I426 M427 D428 F434 I475 L476 P478 L479I426-T430 VanDerWaalsContact O-CB 3.24Å; I426-T430 WeakPolarHBondContact O-CB 3.05Å; I426-T430 PolarHBondContact O-N 3.11Å; I426-T430 PolarHBondContact O-OG1 3.17Å; M427-T430 WeakPolarHBondContact O-CB 3.29Å; M427-T430 PolarHBondContact O-N 3.11Å; D428-T430 VanDerWaalsContact C-N 3.31Å; D428-T430 PolarHBondContact O-N 3.44Å; T430-F434 WeakPolarHBondContact O-CB 3.5Å; T430-F434 PolarHBondContact O-N 2.94Å; T430-I475 WeakPolarHBondContact CG2-O 3.49Å; T430-L476 HydrophobicContact CG2-CD2 4.27Å; T430-P478 HydrophobicContact CG2-CB 4.09Å; T430-P478 HydrophobicContact CG2-CG 3.89Å; T430-L479 HydrophobicContact CG2-CB 4.19Å
431V98.9Very high98.3Very high0 Ų09.5 Ų9.50%06%0.055CC..Hα-helixtrans-63.6-45174.2169.20000110.7M427 D428 F434 L435 L479 L493 V535M427-V431 WeakPolarHBondContact O-CG2 3.46Å; M427-V431 PolarHBondContact O-N 3.12Å; D428-V431 PolarHBondContact O-N 2.92Å; V431-F434 PolarHBondContact O-N 3.5Å; V431-L435 HydrophobicContact CG1-CD1 3.96Å; V431-L435 HydrophobicContact CG1-CG 4.48Å; V431-L435 VanDerWaalsContact O-CG 3.29Å; V431-L435 WeakPolarHBondContact O-CG 3.4Å; V431-L435 PolarHBondContact O-N 3.41Å; V431-L479 HydrophobicContact CG2-CD2 3.96Å; V431-L493 HydrophobicContact CG1-CD1 4.06Å; V431-L493 HydrophobicContact CG1-CD2 3.74Å; V431-L493 HydrophobicContact CG2-CD1 4.49Å; V431-V535 HydrophobicContact CG1-CG1 4.15Å; V431-V535 HydrophobicContact CG1-CG2 4.4Å; V431-V535 HydrophobicContact CG2-CG1 3.78Å
432F98.9Very high98.3Very high0 Ų09.9 Ų9.90%05%0.052CC..Hα-helixtrans-56.8-54.6176.1-179.8-116.6000112A296 L299 D300 L303 F305 V308 D428 M429 F434 L435 M436 H458A296-F432 HydrophobicContact CB-CZ 3.84Å; A296-F432 WeakPolarHBondContact O-CE2 3.33Å; A296-F432 WeakPolarHBondContact O-CZ 3.39Å; L299-F432 HydrophobicContact CB-CE2 4.08Å; L299-F432 HydrophobicContact CD2-CD2 3.82Å; L299-F432 HydrophobicContact CD2-CE2 3.81Å; L299-F432 HydrophobicContact CG-CD2 3.94Å; L299-F432 HydrophobicContact CG-CE2 3.81Å; D300-F432 HydrophobicContact CB-CE2 3.76Å; D300-F432 HydrophobicContact CB-CZ 4.05Å; L303-F432 HydrophobicContact CD1-CD2 3.99Å; F305-F432 HydrophobicContact CD2-CB 4.46Å; F305-F432 HydrophobicContact CE2-CB 4.09Å; V308-F432 HydrophobicContact CG2-CE1 4.04Å; V308-F432 HydrophobicContact CG2-CZ 3.63Å; D428-F432 WeakPolarHBondContact O-CB 3.4Å; D428-F432 PolarHBondContact O-N 3.03Å; M429-F432 WeakPolarHBondContact O-CB 3.34Å; M429-F432 PolarHBondContact O-N 3.49Å; F432-F434 VanDerWaalsContact C-N 3.33Å; F432-F434 PolarHBondContact O-N 3.48Å; F432-L435 PolarHBondContact O-N 3.27Å; F432-M436 HydrophobicContact CD1-SD 4.18Å; F432-M436 HydrophobicContact CE1-SD 3.86Å; F432-M436 HydrophobicContact CZ-SD 4.06Å; F432-M436 WeakPolarHBondContact O-CG 3.35Å; F432-M436 PolarHBondContact O-N 2.89Å; F432-H458 AromaticContact CD1-ND1 3.82Å; F432-H458 HydrophobicContact CE1-CB 4.09Å; F432-H458 AromaticContact CE1-ND1 3.94Å
433D98.9Very high98.4Very high5 Ų513.4 Ų13.43%0.0277%0.069CC..Hα-helixtrans-61.1-38.8180-81.4-35.2000112.2M429 M436 G437 N438 R441 I475M429-D433 WeakPolarHBondContact O-CB 3.28Å; M429-D433 PolarHBondContact O-N 3.36Å; D433-M436 VanDerWaalsContact O-CG 3.31Å; D433-M436 WeakPolarHBondContact O-CG 3.46Å; D433-G437 CarbonylContact O-C 3.57Å; D433-G437 WeakPolarHBondContact O-CA 3.13Å; D433-G437 PolarHBondContact O-N 3.49Å; D433-N438 HydrophobicContact CB-CB 4.24Å; D433-N438 PolarHBondContact O-N 3.24Å; D433-N438 WeakPolarHBondContact OD1-CB 3.25Å; D433-N438 PolarHBondContact OD1-ND2 2.9Å; D433-R441 IonicContact OD1-CZ 2.72Å; D433-R441 VanDerWaalsContact OD1-CZ 3.32Å; D433-R441 IonicContact OD1-NE 3.09Å; D433-R441 PolarHBondContact OD1-NE 3.38Å; D433-R441 IonicContact OD1-NH2 2.75Å; D433-R441 PolarHBondContact OD1-NH2 3.32Å; D433-R441 VanDerWaalsContact OD2-CB 3.25Å; D433-R441 WeakPolarHBondContact OD2-CB 3.48Å; D433-R441 WeakPolarHBondContact OD2-CG 3.49Å; D433-R441 IonicContact OD2-CZ 3.11Å; D433-R441 IonicContact OD2-NE 2.74Å; D433-R441 PolarHBondContact OD2-NE 2.68Å; D433-R441 IonicContact OD2-NH2 3.39Å; D433-I475 HydrophobicContact CB-CG2 3.86Å
434F98.9Very high98.4Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-68.6-43.2177.6176.8-107.9000112.7T430 V431 F432 M436 G437 D471 E472 L473 I475 L476 R531 L534 V535T430-F434 WeakPolarHBondContact O-CB 3.5Å; T430-F434 PolarHBondContact O-N 2.94Å; V431-F434 PolarHBondContact O-N 3.5Å; F432-F434 VanDerWaalsContact C-N 3.33Å; F432-F434 PolarHBondContact O-N 3.48Å; F434-M436 VanDerWaalsContact C-N 3.26Å; F434-M436 PolarHBondContact O-N 3.44Å; F434-G437 PolarHBondContact O-N 2.94Å; F434-D471 HydrophobicContact CE2-CB 4.39Å; F434-D471 HydrophobicContact CZ-CB 4.32Å; F434-E472 WeakPolarHBondContact CD2-O 3.31Å; F434-L473 HydrophobicContact CE2-CD2 4.19Å; F434-L473 HydrophobicContact CZ-CD2 4.11Å; F434-I475 HydrophobicContact CB-CB 4.19Å; F434-I475 HydrophobicContact CB-CG2 3.89Å; F434-I475 HydrophobicContact CD2-CB 4.19Å; F434-L476 HydrophobicContact CB-CD2 3.51Å; F434-L476 HydrophobicContact CB-CG 3.9Å; F434-L476 HydrophobicContact CD1-CD1 3.65Å; F434-L476 HydrophobicContact CD1-CD2 3.74Å; F434-L476 HydrophobicContact CD1-CG 3.71Å; F434-L476 HydrophobicContact CD2-CD1 4.21Å; F434-L476 HydrophobicContact CD2-CD2 4.33Å; F434-L476 HydrophobicContact CD2-CG 3.73Å; F434-L476 HydrophobicContact CE1-CD1 3.58Å; F434-L476 HydrophobicContact CE1-CG 4.1Å; F434-L476 HydrophobicContact CE2-CD1 4.16Å; F434-L476 HydrophobicContact CE2-CG 4.13Å; F434-L476 HydrophobicContact CG-CD1 3.95Å; F434-L476 HydrophobicContact CG-CD2 3.6Å; F434-L476 HydrophobicContact CG-CG 3.48Å; F434-L476 VanDerWaalsContact CG-CG 3.48Å; F434-L476 HydrophobicContact CZ-CD1 3.85Å; F434-L476 HydrophobicContact CZ-CG 4.29Å; F434-R531 HydrophobicContact CD1-CB 4.05Å; F434-R531 HydrophobicContact CD1-CG 4.47Å; F434-R531 HydrophobicContact CE1-CB 3.59Å; F434-R531 HydrophobicContact CE1-CG 3.89Å; F434-R531 WeakPolarHBondContact CE1-O 3.49Å; F434-R531 HydrophobicContact CZ-CB 4.23Å; F434-R531 HydrophobicContact CZ-CG 4.02Å; F434-R531 WeakPolarHBondContact O-CD 3.21Å; F434-L534 HydrophobicContact CE1-CB 3.97Å; F434-L534 HydrophobicContact CE1-CD1 4.46Å; F434-L534 HydrophobicContact CZ-CB 4.09Å; F434-L534 HydrophobicContact CZ-CD1 3.92Å; F434-V535 HydrophobicContact CD1-CG2 3.63Å; F434-V535 HydrophobicContact CE1-CG2 4.04Å
435L98.9Very high98.4Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-56.6-41178.7-74.5169.6000111.6L299 L303 V431 F432 L503 R531 L532L299-L435 HydrophobicContact CD1-CD1 4.35Å; L299-L435 HydrophobicContact CD2-CB 4.04Å; L303-L435 HydrophobicContact CD1-CD1 4.04Å; L303-L435 HydrophobicContact CD2-CD1 4.22Å; V431-L435 HydrophobicContact CG1-CD1 3.96Å; V431-L435 HydrophobicContact CG1-CG 4.48Å; V431-L435 VanDerWaalsContact O-CG 3.29Å; V431-L435 WeakPolarHBondContact O-CG 3.4Å; V431-L435 PolarHBondContact O-N 3.41Å; F432-L435 PolarHBondContact O-N 3.27Å; L435-L503 HydrophobicContact CD1-CD2 4.47Å; L435-L503 HydrophobicContact CD2-CD2 4.11Å; L435-R531 HydrophobicContact CD2-CB 3.98Å; L435-R531 WeakPolarHBondContact O-CD 3.34Å; L435-R531 PolarHBondContact O-NH1 3.21Å; L435-L532 HydrophobicContact CD2-CB 3.93Å
436M98.6Very high98.4Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-83.2-23.817464.2-167.5-6600114.4A296 F432 D433 F434 N438 N461 F465 R531A296-M436 HydrophobicContact CB-CE 4Å; F432-M436 HydrophobicContact CD1-SD 4.18Å; F432-M436 HydrophobicContact CE1-SD 3.86Å; F432-M436 HydrophobicContact CZ-SD 4.06Å; F432-M436 WeakPolarHBondContact O-CG 3.35Å; F432-M436 PolarHBondContact O-N 2.89Å; D433-M436 VanDerWaalsContact O-CG 3.31Å; D433-M436 WeakPolarHBondContact O-CG 3.46Å; F434-M436 VanDerWaalsContact C-N 3.26Å; F434-M436 PolarHBondContact O-N 3.44Å; M436-N438 HydrophobicContact CE-CB 4.27Å; M436-N438 HydrophobicContact CG-CB 3.86Å; M436-N438 HydrophobicContact SD-CB 4.15Å; M436-N461 HydrophobicContact CE-CB 3.8Å; M436-N461 WeakPolarHBondContact CE-O 3.45Å; M436-F465 HydrophobicContact CB-CD2 3.92Å; M436-F465 HydrophobicContact CB-CE1 4.22Å; M436-F465 HydrophobicContact CB-CE2 3.42Å; M436-F465 VanDerWaalsContact CB-CE2 3.42Å; M436-F465 HydrophobicContact CB-CZ 3.6Å; M436-F465 HydrophobicContact CE-CD2 4.36Å; M436-F465 HydrophobicContact CE-CE2 4.19Å; M436-F465 PolarHBondContact O-N 2.87Å; M436-R531 PolarHBondContact O-NH1 3.4Å
437G98.5Very high98.4Very high18 Ų1815.3 Ų15.319%0.1868%0.077CC..THydrogen-bonded Turntrans86.227.4-177.200000114.4D433 F434D433-G437 CarbonylContact O-C 3.57Å; D433-G437 WeakPolarHBondContact O-CA 3.13Å; D433-G437 PolarHBondContact O-N 3.49Å; F434-G437 PolarHBondContact O-N 2.94Å
438N98.5Very high98.3Very high3 Ų320.1 Ų20.12%0.01610%0.099CC..  trans-80.4116.6-179.7177.826000111.6D433 M436 D440 I475D433-N438 HydrophobicContact CB-CB 4.24Å; D433-N438 PolarHBondContact O-N 3.24Å; D433-N438 WeakPolarHBondContact OD1-CB 3.25Å; D433-N438 PolarHBondContact OD1-ND2 2.9Å; M436-N438 HydrophobicContact CE-CB 4.27Å; M436-N438 HydrophobicContact CG-CB 3.86Å; M436-N438 HydrophobicContact SD-CB 4.15Å; N438-D440 PolarHBondContact OD1-N 3.04Å; N438-D440 VanDerWaalsContact OD1-N 3.15Å; N438-I475 WeakPolarHBondContact O-CD1 3.35Å
439M97.3Very high98.1Very high47 Ų4724.6 Ų24.623%0.23212%0.119CC..  trans-92.7-10.4-179.7-66.3-179.577.500114.6Y283 R391 E472 I475Y283-M439 VanDerWaalsContact CB-CB 3.49Å; Y283-M439 HydrophobicContact CD1-CE 3.95Å; Y283-M439 HydrophobicContact CG-CB 4.25Å; Y283-M439 HydrophobicContact CG-CE 4.41Å; R391-M439 WeakPolarHBondContact CD-O 3.42Å; R391-M439 PolarHBondContact NE-O 3.3Å; M439-E472 HydrophobicContact CE-CG 3.76Å; M439-E472 HydrophobicContact CG-CG 3.88Å; M439-E472 HydrophobicContact SD-CG 3.81Å; M439-I475 HydrophobicContact CG-CD1 4.1Å; M439-I475 HydrophobicContact CG-CG1 4.26Å
440D97.1Very high98Very high22 Ų2224.9 Ų24.912%0.11812%0.12CC..  trans-102.116.3-159.2-143.161.3000114Y393 N438 H442 R463Y393-D440 VanDerWaalsContact CE1-OD1 3.3Å; Y393-D440 WeakPolarHBondContact CE1-OD1 3.08Å; Y393-D440 WeakPolarHBondContact OH-CA 3.25Å; Y393-D440 PolarHBondContact OH-O 3.35Å; Y393-D440 VanDerWaalsContact OH-O 3.11Å; Y393-D440 PolarHBondContact OH-OD1 2.86Å; N438-D440 PolarHBondContact OD1-N 3.04Å; N438-D440 VanDerWaalsContact OD1-N 3.15Å; D440-H442 PolarHBondContact O-N 2.82Å; D440-R463 HydrophobicContact CB-CB 4.49Å; D440-R463 IonicContact OD1-NE 3.54Å; D440-R463 VanDerWaalsContact OD2-CD 3.26Å; D440-R463 WeakPolarHBondContact OD2-CD 3.22Å; D440-R463 IonicContact OD2-CZ 3.42Å; D440-R463 IonicContact OD2-NE 3.34Å; D440-R463 PolarHBondContact OD2-NE 3.14Å; D440-R463 IonicContact OD2-NH2 2.73Å
441R97.7Very high97.9Very high20 Ų2026.2 Ų26.28%0.07514%0.135CC..  trans-70.764.3-178.3-166.571.969.9-174.8-0.3112.8N387 M429 D433 L459 N461N387-R441 WeakPolarHBondContact CB-O 3.33Å; N387-R441 PolarHBondContact ND2-O 2.83Å; M429-R441 HydrophobicContact CE-CG 3.74Å; M429-R441 HydrophobicContact CG-CG 4.29Å; M429-R441 VanDerWaalsContact SD-CD 3.55Å; M429-R441 HydrophobicContact SD-CG 3.72Å; D433-R441 IonicContact OD1-CZ 2.72Å; D433-R441 VanDerWaalsContact OD1-CZ 3.32Å; D433-R441 IonicContact OD1-NE 3.09Å; D433-R441 PolarHBondContact OD1-NE 3.38Å; D433-R441 IonicContact OD1-NH2 2.75Å; D433-R441 PolarHBondContact OD1-NH2 3.32Å; D433-R441 VanDerWaalsContact OD2-CB 3.25Å; D433-R441 WeakPolarHBondContact OD2-CB 3.48Å; D433-R441 WeakPolarHBondContact OD2-CG 3.49Å; D433-R441 IonicContact OD2-CZ 3.11Å; D433-R441 IonicContact OD2-NE 2.74Å; D433-R441 PolarHBondContact OD2-NE 2.68Å; D433-R441 IonicContact OD2-NH2 3.39Å; R441-L459 PolarHBondContact NH1-O 3.44Å; R441-N461 PolarHBondContact NH1-OD1 2.97Å; R441-N461 PolarHBondContact NH2-OD1 2.93Å
442H96.9Very high97.6Very high68 Ų6830 Ų3032%0.31516%0.156SC..  trans-73.2-27-178.449.738.2000114.6N387 R390 Y393 D440N387-H442 PolarHBondContact N-O 3.35Å; N387-H442 VanDerWaalsContact N-O 3.12Å; R390-H442 HydrophobicContact CG-CB 3.73Å; Y393-H442 AromaticContact CE1-CD2 3.95Å; Y393-H442 HydrophobicContact CE2-CB 3.8Å; Y393-H442 AromaticContact CZ-CD2 3.74Å; Y393-H442 WeakPolarHBondContact OH-CB 3.4Å; D440-H442 PolarHBondContact O-N 2.82Å
443H97.9Very high97.4Very high76 Ų7636.4 Ų36.435%0.35219%0.185SC..EExtended strand (participates in β ladder)trans-145.5160.6-173.9-66.7106.4000108.5T384 W385T384-H443 HydrophobicContact CG2-CB 3.94Å; W385-H443 CarbonylContact O-C 3.55Å; W385-H443 WeakPolarHBondContact O-CA 3.48Å; W385-H443 WeakPolarHBondContact O-CB 3.32Å; W385-H443 PolarHBondContact O-CD2 3.16Å
444Y98.3Very high97.3Very high8 Ų836.3 Ų36.33%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-143.7160.5172.368.8-94.4000109.8T384 W385 Y417 R422 I426 M429 T446 I456T384-Y444 WeakPolarHBondContact CA-O 3.4Å; W385-Y444 HydrophobicContact CB-CD1 4.04Å; W385-Y444 HydrophobicContact CB-CD2 4.04Å; W385-Y444 HydrophobicContact CB-CE1 3.55Å; W385-Y444 HydrophobicContact CB-CE2 3.58Å; W385-Y444 HydrophobicContact CB-CG 4.26Å; W385-Y444 AromaticContact CD1-CD2 3.98Å; W385-Y444 AromaticContact CD1-CE2 3.46Å; W385-Y444 VanDerWaalsContact CD1-CE2 3.46Å; W385-Y444 HydrophobicContact CG-CD2 4.32Å; W385-Y444 HydrophobicContact CG-CE1 4.41Å; W385-Y444 AromaticContact CG-CE2 3.63Å; W385-Y444 HydrophobicContact CG-CE2 3.63Å; W385-Y444 AromaticContact CG-CZ 3.68Å; W385-Y444 PolarHBondContact N-O 3.46Å; W385-Y444 PolarHBondContact O-N 2.9Å; Y417-Y444 WeakPolarHBondContact CE1-OH 3.14Å; Y417-Y444 WeakPolarHBondContact OH-CE1 3.2Å; Y417-Y444 PolarHBondContact OH-OH 3.25Å; R422-Y444 PolarHBondContact NH1-OH 2.82Å; I426-Y444 HydrophobicContact CD1-CD1 3.93Å; I426-Y444 HydrophobicContact CD1-CE1 3.54Å; M429-Y444 HydrophobicContact CE-CD1 4.4Å; Y444-T446 HydrophobicContact CD2-CG2 4.23Å; Y444-T446 HydrophobicContact CE2-CG2 4.05Å; Y444-I456 HydrophobicContact CD2-CB 4.17Å; Y444-I456 HydrophobicContact CD2-CD1 3.77Å; Y444-I456 HydrophobicContact CD2-CG1 3.69Å; Y444-I456 HydrophobicContact CD2-CG2 3.54Å; Y444-I456 HydrophobicContact CE2-CD1 3.66Å; Y444-I456 HydrophobicContact CE2-CG1 3.73Å; Y444-I456 HydrophobicContact CE2-CG2 4.44Å; Y444-I456 HydrophobicContact CG-CD1 4.23Å; Y444-I456 HydrophobicContact CG-CG2 3.79Å
445E98.4Very high97.2Very high44 Ų4436.6 Ų36.621%0.20619%0.186CC..EExtended strand (participates in β ladder)trans-116.4151.6179.8-76-178.7-147.500111.7R382 K383 I457 L459R382-E445 WeakPolarHBondContact CB-OE2 3.46Å; R382-E445 VanDerWaalsContact CD-OE2 3.26Å; R382-E445 WeakPolarHBondContact CD-OE2 3.42Å; R382-E445 IonicContact CZ-OE2 3.97Å; R382-E445 IonicContact NE-OE2 2.81Å; R382-E445 PolarHBondContact NE-OE2 3.03Å; K383-E445 WeakPolarHBondContact O-CA 3.47Å; E445-I457 HydrophobicContact CB-CB 4.35Å; E445-I457 HydrophobicContact CB-CD1 4.07Å; E445-I457 WeakPolarHBondContact O-CB 3.44Å; E445-I457 WeakPolarHBondContact O-CG1 3.32Å; E445-I457 PolarHBondContact O-N 3.05Å; E445-L459 HydrophobicContact CB-CD1 4.32Å; E445-L459 HydrophobicContact CG-CD1 4.3Å
446T98.4Very high97.2Very high1 Ų136.6 Ų36.61%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-136.3152.5167.766.30000109.3R382 K383 W385 Y444 T454 I456R382-T446 CarbonylContact C-O 3.57Å; R382-T446 VanDerWaalsContact CA-O 3.26Å; R382-T446 WeakPolarHBondContact CA-O 3.35Å; K383-T446 PolarHBondContact N-O 2.62Å; K383-T446 PolarHBondContact O-N 3.29Å; K383-T446 VanDerWaalsContact O-N 3.09Å; W385-T446 PolarHBondContact NE1-OG1 3.33Å; Y444-T446 HydrophobicContact CD2-CG2 4.23Å; Y444-T446 HydrophobicContact CE2-CG2 4.05Å; T446-T454 HydrophobicContact CG2-CG2 4.25Å; T446-I456 HydrophobicContact CG2-CG1 4.39Å
447F98.1Very high97.2Very high1 Ų136.6 Ų36.60%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-68.2136.5172.2-68-76.9000110.7L163 I215 L220 L374 A380 R382 F450 F455 I457L163-F447 HydrophobicContact CD1-CB 4.32Å; L163-F447 HydrophobicContact CD1-CD1 3.9Å; L163-F447 HydrophobicContact CD1-CE1 4.48Å; L163-F447 HydrophobicContact CD1-CG 4.13Å; L163-F447 HydrophobicContact CD2-CD1 3.96Å; L163-F447 HydrophobicContact CD2-CE1 3.7Å; L163-F447 HydrophobicContact CD2-CZ 4.1Å; I215-F447 HydrophobicContact CD1-CZ 4.15Å; I215-F447 HydrophobicContact CG2-CD2 4.26Å; I215-F447 HydrophobicContact CG2-CE2 3.67Å; I215-F447 HydrophobicContact CG2-CZ 4.01Å; L220-F447 HydrophobicContact CD2-CE2 3.84Å; L220-F447 HydrophobicContact CD2-CZ 4.09Å; L374-F447 HydrophobicContact CD1-CZ 4.4Å; L374-F447 HydrophobicContact CD2-CZ 4.42Å; A380-F447 HydrophobicContact CB-CD1 4.25Å; A380-F447 HydrophobicContact CB-CE1 4.25Å; R382-F447 HydrophobicContact CG-CD1 3.67Å; R382-F447 HydrophobicContact CG-CE1 3.84Å; R382-F447 HydrophobicContact CG-CG 4.42Å; F447-F450 HydrophobicContact CB-CD2 3.78Å; F447-F450 HydrophobicContact CB-CE2 4.12Å; F447-F450 HydrophobicContact CD2-CD2 4.36Å; F447-F450 HydrophobicContact CD2-CE2 4.19Å; F447-F450 HydrophobicContact CG-CD2 4.43Å; F447-F450 HydrophobicContact CG-CE2 4.37Å; F447-F455 HydrophobicContact CD2-CZ 4.32Å; F447-F455 HydrophobicContact CE2-CZ 4.03Å; F447-I457 HydrophobicContact CD2-CD1 3.96Å; F447-I457 HydrophobicContact CE1-CD1 4.47Å; F447-I457 HydrophobicContact CE2-CD1 3.64Å; F447-I457 HydrophobicContact CE2-CG1 4.2Å; F447-I457 HydrophobicContact CG-CD1 4.48Å; F447-I457 HydrophobicContact CZ-CD1 3.92Å
448E96.8Very high97.2Very high101 Ų10135.8 Ų35.847%0.47218%0.177SC..SBendtrans-70.2-36-177.1-166.7179140.700111.5K381 F450 G451K381-E448 HydrophobicContact CB-CB 3.9Å; K381-E448 VanDerWaalsContact CB-OE2 3.26Å; K381-E448 WeakPolarHBondContact CB-OE2 3.31Å; K381-E448 WeakPolarHBondContact CD-OE2 3.32Å; K381-E448 WeakPolarHBondContact O-CB 3.44Å; K381-E448 PolarHBondContact O-N 3.4Å; E448-F450 VanDerWaalsContact C-N 3.26Å; E448-F450 PolarHBondContact O-N 3.45Å; E448-G451 PolarHBondContact O-N 3.5Å
449K96.2Very high97.1Very high95 Ų9537.9 Ų37.941%0.41319%0.189SC..THydrogen-bonded Turntrans-53.3-41.1179.1-171.1-175.4-179.9-171.70112.6D159 T162 L163 G451D159-K449 PolarHBondContact O-NZ 2.73Å; T162-K449 WeakPolarHBondContact O-CE 3.49Å; T162-K449 PolarHBondContact O-NZ 2.71Å; L163-K449 HydrophobicContact CD1-CB 4.46Å; L163-K449 WeakPolarHBondContact O-CD 3.33Å; L163-K449 PolarHBondContact O-NZ 2.9Å; K449-G451 VanDerWaalsContact C-N 3.34Å
450F96.9Very high97Very high7 Ų739.7 Ų39.73%0.03120%0.199CC..THydrogen-bonded Turntrans-84.6-6.3-177.3-53.2-41.7000113.6D160 D161 T162 L163 N216 R217 F447 E448 T454D160-F450 WeakPolarHBondContact O-CD1 3.37Å; D161-F450 WeakPolarHBondContact O-CE1 3.48Å; D161-F450 WeakPolarHBondContact O-CZ 3.36Å; T162-F450 WeakPolarHBondContact O-CE1 3.48Å; L163-F450 HydrophobicContact CB-CZ 4.04Å; L163-F450 HydrophobicContact CD1-CE2 4.3Å; L163-F450 HydrophobicContact CD1-CZ 4.15Å; N216-F450 VanDerWaalsContact C-CE2 3.47Å; N216-F450 VanDerWaalsContact C-CZ 3.47Å; N216-F450 VanDerWaalsContact O-CE2 3.28Å; N216-F450 WeakPolarHBondContact O-CE2 3.39Å; R217-F450 HydrophobicContact CB-CD1 4.27Å; R217-F450 HydrophobicContact CB-CE1 4.45Å; R217-F450 HydrophobicContact CB-CG 4.34Å; R217-F450 HydrophobicContact CG-CG 4.49Å; R217-F450 PolarHBondContact NH1-O 3.17Å; F447-F450 HydrophobicContact CB-CD2 3.78Å; F447-F450 HydrophobicContact CB-CE2 4.12Å; F447-F450 HydrophobicContact CD2-CD2 4.36Å; F447-F450 HydrophobicContact CD2-CE2 4.19Å; F447-F450 HydrophobicContact CG-CD2 4.43Å; F447-F450 HydrophobicContact CG-CE2 4.37Å; E448-F450 VanDerWaalsContact C-N 3.26Å; E448-F450 PolarHBondContact O-N 3.45Å; F450-T454 HydrophobicContact CB-CG2 4.05Å
451G95.1Very high97.1Very high34 Ų3438.8 Ų38.835%0.35119%0.194SC..THydrogen-bonded Turntrans70.5-126.317700000113.8E448 K449 T454E448-G451 PolarHBondContact O-N 3.5Å; K449-G451 VanDerWaalsContact C-N 3.34Å; G451-T454 WeakPolarHBondContact O-CG2 3.4Å
452N94Very high97.1Very high81 Ų8137.8 Ų37.843%0.43319%0.191SC..THydrogen-bonded Turntrans-92.8-31.3178.4-71.6-14.4000112.7W385 R422 T454W385-N452 WeakPolarHBondContact CH2-OD1 3.47Å; W385-N452 WeakPolarHBondContact CZ2-OD1 3.3Å; R422-N452 PolarHBondContact NH2-O 3.22Å; N452-T454 VanDerWaalsContact C-N 3.33Å; N452-T454 PolarHBondContact O-N 3.08Å
453E93.5Very high97.1Very high133 Ų13335.4 Ų35.462%0.62118%0.179SC*.SBendtrans-86.674.6-176.3-66.7177.6-173.400110.1R217R217-E453 VanDerWaalsContact CD-O 3.31Å; R217-E453 WeakPolarHBondContact CD-O 3.45Å; R217-E453 VanDerWaalsContact CG-O 3.23Å; R217-E453 WeakPolarHBondContact CG-O 3.26Å; R217-E453 PolarHBondContact NH1-O 3Å
454T96.5Very high97.1Very high4 Ų431.8 Ų31.83%0.02516%0.162CC..SBendtrans-159151.5-175.9172.60000109.2T446 F450 G451 N452T446-T454 HydrophobicContact CG2-CG2 4.25Å; F450-T454 HydrophobicContact CB-CG2 4.05Å; G451-T454 WeakPolarHBondContact O-CG2 3.4Å; N452-T454 VanDerWaalsContact C-N 3.33Å; N452-T454 PolarHBondContact O-N 3.08Å
455F97.5Very high97.1Very high5 Ų531.6 Ų31.62%0.02216%0.161CC..PPolyproline II helixtrans-60.7161.2172.369.3-91.6000112.7N216 R217 Y218 E219 L220 R307 F447 I457N216-F455 WeakPolarHBondContact O-CE1 3.28Å; R217-F455 VanDerWaalsContact O-CD1 3.32Å; R217-F455 WeakPolarHBondContact O-CD1 3.26Å; Y218-F455 WeakPolarHBondContact O-CD1 3.37Å; E219-F455 WeakPolarHBondContact O-CE1 3.35Å; L220-F455 HydrophobicContact CD2-CE2 4.05Å; L220-F455 HydrophobicContact CD2-CZ 3.78Å; L220-F455 HydrophobicContact CG-CE2 3.8Å; L220-F455 HydrophobicContact CG-CZ 3.79Å; R307-F455 HydrophobicContact CB-CD2 4.37Å; R307-F455 HydrophobicContact CG-CB 4.24Å; R307-F455 HydrophobicContact CG-CD2 3.72Å; R307-F455 HydrophobicContact CG-CE2 4.43Å; R307-F455 HydrophobicContact CG-CG 4.24Å; F447-F455 HydrophobicContact CD2-CZ 4.32Å; F447-F455 HydrophobicContact CE2-CZ 4.03Å; F455-I457 HydrophobicContact CD2-CG1 4.39Å; F455-I457 HydrophobicContact CE2-CG1 3.82Å
456I98.4Very high97.1Very high0 Ų029.7 Ų29.70%015%0.153CC..PPolyproline II helixtrans-90.5130.1171.7-67.5179.5000110.2R307 D425 I426 M429 Y444 T446R307-I456 WeakPolarHBondContact CB-O 3.45Å; R307-I456 WeakPolarHBondContact CD-O 3.33Å; R307-I456 WeakPolarHBondContact CG-O 3.41Å; D425-I456 HydrophobicContact CB-CB 4.49Å; D425-I456 HydrophobicContact CB-CD1 3.72Å; D425-I456 HydrophobicContact CB-CG1 3.85Å; I426-I456 HydrophobicContact CD1-CD1 3.5Å; I426-I456 VanDerWaalsContact CD1-CD1 3.5Å; I426-I456 HydrophobicContact CG1-CD1 4.04Å; M429-I456 HydrophobicContact SD-CG2 3.78Å; Y444-I456 HydrophobicContact CD2-CB 4.17Å; Y444-I456 HydrophobicContact CD2-CD1 3.77Å; Y444-I456 HydrophobicContact CD2-CG1 3.69Å; Y444-I456 HydrophobicContact CD2-CG2 3.54Å; Y444-I456 HydrophobicContact CE2-CD1 3.66Å; Y444-I456 HydrophobicContact CE2-CG1 3.73Å; Y444-I456 HydrophobicContact CE2-CG2 4.44Å; Y444-I456 HydrophobicContact CG-CD1 4.23Å; Y444-I456 HydrophobicContact CG-CG2 3.79Å; T446-I456 HydrophobicContact CG2-CG1 4.39Å
457I98.7Very high97.1Very high1 Ų132 Ų321%0.00516%0.163CC..BIsolated β-bridgetrans-80.2122.4178.3-48.6170.8000109.7L220 L374 R382 E445 F447 F455 L459L220-I457 HydrophobicContact CD1-CG2 4.38Å; L374-I457 HydrophobicContact CD1-CD1 4.18Å; L374-I457 HydrophobicContact CD1-CG2 3.9Å; R382-I457 HydrophobicContact CG-CD1 4.32Å; E445-I457 HydrophobicContact CB-CB 4.35Å; E445-I457 HydrophobicContact CB-CD1 4.07Å; E445-I457 WeakPolarHBondContact O-CB 3.44Å; E445-I457 WeakPolarHBondContact O-CG1 3.32Å; E445-I457 PolarHBondContact O-N 3.05Å; F447-I457 HydrophobicContact CD2-CD1 3.96Å; F447-I457 HydrophobicContact CE1-CD1 4.47Å; F447-I457 HydrophobicContact CE2-CD1 3.64Å; F447-I457 HydrophobicContact CE2-CG1 4.2Å; F447-I457 HydrophobicContact CG-CD1 4.48Å; F447-I457 HydrophobicContact CZ-CD1 3.92Å; F455-I457 HydrophobicContact CD2-CG1 4.39Å; F455-I457 HydrophobicContact CE2-CG1 3.82Å; I457-L459 HydrophobicContact CB-CG 4.38Å; I457-L459 HydrophobicContact CG2-CD1 4.2Å; I457-L459 HydrophobicContact CG2-CD2 3.63Å; I457-L459 HydrophobicContact CG2-CG 3.64Å; I457-L459 PolarHBondContact O-N 3.23Å
458H98.6Very high97.1Very high0 Ų033.4 Ų33.40%017%0.17CC..  trans-86.780.4-178.7-64.6165.4000111.1D300 F305 R307 V308 F432 N461D300-H458 IonicContact OD1-CE1 3.43Å; D300-H458 IonicContact OD1-CG 2.68Å; D300-H458 IonicContact OD1-ND1 3.21Å; D300-H458 PolarHBondContact OD1-ND1 2.87Å; F305-H458 AromaticContact CD2-CE1 3.93Å; R307-H458 HydrophobicContact CB-CB 4.2Å; R307-H458 WeakPolarHBondContact CB-ND1 3.36Å; R307-H458 PolarHBondContact O-N 2.99Å; V308-H458 HydrophobicContact CB-CB 4.43Å; V308-H458 HydrophobicContact CG2-CB 3.46Å; V308-H458 VanDerWaalsContact CG2-CB 3.46Å; F432-H458 AromaticContact CD1-ND1 3.82Å; F432-H458 HydrophobicContact CE1-CB 4.09Å; F432-H458 AromaticContact CE1-ND1 3.94Å; H458-N461 PolarHBondContact O-ND2 3.46Å; H458-N461 PolarHBondContact O-OD1 3.14Å
459L97.5Very high97.2Very high48 Ų4832.8 Ų32.825%0.25118%0.176SC..  trans-97.4161.2-179.6-60-178.6000113.7P309 L374 R441 E445 I457P309-L459 HydrophobicContact CG-CD2 3.56Å; L374-L459 HydrophobicContact CD1-CD2 4.14Å; R441-L459 PolarHBondContact NH1-O 3.44Å; E445-L459 HydrophobicContact CB-CD1 4.32Å; E445-L459 HydrophobicContact CG-CD1 4.3Å; I457-L459 HydrophobicContact CB-CG 4.38Å; I457-L459 HydrophobicContact CG2-CD1 4.2Å; I457-L459 HydrophobicContact CG2-CD2 3.63Å; I457-L459 HydrophobicContact CG2-CG 3.64Å; I457-L459 PolarHBondContact O-N 3.23Å
460D95.1Very high97.3Very high85 Ų8532.1 Ų32.146%0.45518%0.175SC..  trans50.262174.7-88.2-17.7000113.6K253 K267K253-D460 IonicContact NZ-OD1 2.73Å; K253-D460 PolarHBondContact NZ-OD1 2.86Å; K253-D460 IonicContact NZ-OD2 3.73Å; K253-D460 PolarHBondContact NZ-OD2 2.69Å; K267-D460 IonicContact NZ-OD1 3.3Å; K267-D460 PolarHBondContact NZ-OD1 3.23Å
461N98.4Very high97.3Very high2 Ų233 Ų331%0.01118%0.18CC..  trans-91.60.8-174-46.6-74.3000113E293 A296 M436 R441 H458 R463 G464E293-N461 VanDerWaalsContact CD-N 3.35Å; E293-N461 PolarHBondContact OE1-N 3.41Å; E293-N461 WeakPolarHBondContact OE2-CB 3.49Å; E293-N461 PolarHBondContact OE2-N 3.4Å; E293-N461 PolarHBondContact OE2-ND2 3.47Å; A296-N461 HydrophobicContact CB-CB 3.48Å; A296-N461 VanDerWaalsContact CB-CB 3.48Å; M436-N461 HydrophobicContact CE-CB 3.8Å; M436-N461 WeakPolarHBondContact CE-O 3.45Å; R441-N461 PolarHBondContact NH1-OD1 2.97Å; R441-N461 PolarHBondContact NH2-OD1 2.93Å; H458-N461 PolarHBondContact O-ND2 3.46Å; H458-N461 PolarHBondContact O-OD1 3.14Å; N461-R463 PolarHBondContact O-N 3.48Å; N461-G464 PolarHBondContact O-N 2.92Å
462G97.4Very high97.5Very high0 Ų033.5 Ų33.50%017%0.173CC..THydrogen-bonded Turntrans-60.7-12.2-170.100000116.9E288 R289 E293E288-G462 WeakPolarHBondContact CA-O 3.3Å; R289-G462 PolarHBondContact N-O 3.15Å; E293-G462 VanDerWaalsContact CD-N 3.25Å; E293-G462 WeakPolarHBondContact OE1-CA 3.26Å; E293-G462 PolarHBondContact OE1-N 2.91Å
463R97.4Very high97.7Very high18 Ų1834.5 Ų34.57%0.06818%0.178CC..THydrogen-bonded Turntrans-93.62.4174.1-65.1173.6-174.9-81.79.2113.7Y283 F284 D286 E288 D440 N461Y283-R463 PolarHBondContact O-NH1 3.02Å; F284-R463 PolarHBondContact O-NH1 2.98Å; F284-R463 PolarHBondContact O-NH2 3.34Å; D286-R463 VanDerWaalsContact C-NH1 3.3Å; D286-R463 VanDerWaalsContact N-NH1 3.2Å; D286-R463 PolarHBondContact O-NH1 2.5Å; E288-R463 HydrophobicContact CG-CG 4.34Å; D440-R463 HydrophobicContact CB-CB 4.49Å; D440-R463 IonicContact OD1-NE 3.54Å; D440-R463 VanDerWaalsContact OD2-CD 3.26Å; D440-R463 WeakPolarHBondContact OD2-CD 3.22Å; D440-R463 IonicContact OD2-CZ 3.42Å; D440-R463 IonicContact OD2-NE 3.34Å; D440-R463 PolarHBondContact OD2-NE 3.14Å; D440-R463 IonicContact OD2-NH2 2.73Å; N461-R463 PolarHBondContact O-N 3.48Å
464G98.2Very high97.9Very high0 Ų029.5 Ų29.50%016%0.157CC..THydrogen-bonded Turntrans-70.3169.6163.700000111.9A292 N461 G466A292-G464 WeakPolarHBondContact CB-O 3.21Å; N461-G464 PolarHBondContact O-N 2.92Å; G464-G466 PolarHBondContact O-N 3.07Å
465F98.5Very high98Very high4 Ų430 Ų302%0.01816%0.16CC..THydrogen-bonded Turntrans52.627.6178.1-53.4-81.6000113.7A292 A295 M436 L520 H524 M528A292-F465 HydrophobicContact CB-CB 4.43Å; A292-F465 HydrophobicContact CB-CD2 3.97Å; A295-F465 HydrophobicContact CB-CD2 3.97Å; A295-F465 HydrophobicContact CB-CE2 3.49Å; A295-F465 VanDerWaalsContact CB-CE2 3.49Å; A295-F465 HydrophobicContact CB-CZ 3.88Å; M436-F465 HydrophobicContact CB-CD2 3.92Å; M436-F465 HydrophobicContact CB-CE1 4.22Å; M436-F465 HydrophobicContact CB-CE2 3.42Å; M436-F465 VanDerWaalsContact CB-CE2 3.42Å; M436-F465 HydrophobicContact CB-CZ 3.6Å; M436-F465 HydrophobicContact CE-CD2 4.36Å; M436-F465 HydrophobicContact CE-CE2 4.19Å; M436-F465 PolarHBondContact O-N 2.87Å; F465-L520 HydrophobicContact CB-CD2 4.09Å; F465-L520 HydrophobicContact CD1-CD1 3.96Å; F465-L520 HydrophobicContact CD1-CD2 3.74Å; F465-L520 HydrophobicContact CD2-CD2 4.35Å; F465-L520 HydrophobicContact CE1-CD1 3.64Å; F465-L520 HydrophobicContact CE1-CD2 4.25Å; F465-L520 HydrophobicContact CG-CD2 3.79Å; F465-L520 HydrophobicContact CZ-CD1 4.07Å; F465-H524 HydrophobicContact CD1-CB 4.19Å; F465-H524 AromaticContact CD1-ND1 3.84Å; F465-H524 PolarHBondContact O-CE1 3.1Å; F465-H524 PolarHBondContact O-NE2 3.37Å; F465-M528 HydrophobicContact CE1-CE 4.39Å; F465-M528 HydrophobicContact CE1-CG 4.14Å; F465-M528 HydrophobicContact CE1-SD 3.71Å; F465-M528 HydrophobicContact CZ-CE 4.27Å; F465-M528 HydrophobicContact CZ-SD 4.12Å
466G97.6Very high98.1Very high3 Ų329.9 Ų29.93%0.03116%0.159CC..SBendtrans-73.3-31.9171.700000113.1E276 T277 R289 G464E276-G466 CarbonylContact C-O 3.49Å; E276-G466 WeakPolarHBondContact CA-O 3.32Å; T277-G466 PolarHBondContact N-O 3.16Å; R289-G466 PolarHBondContact NH2-O 2.89Å; G464-G466 PolarHBondContact O-N 3.07Å
467K98.1Very high98.1Very high49 Ų4931.4 Ų31.421%0.21317%0.169CC..  trans-135.9136.2-179.6-66.1167.7178.1166.90110.2E276 T277 P278 H470 R531E276-K467 VanDerWaalsContact OE2-CA 3.24Å; E276-K467 WeakPolarHBondContact OE2-CA 3.39Å; T277-K467 WeakPolarHBondContact O-CE 3.46Å; P278-K467 VanDerWaalsContact O-CE 3.25Å; P278-K467 WeakPolarHBondContact O-CE 3.42Å; P278-K467 PolarHBondContact O-NZ 2.78Å; K467-H470 HydrophobicContact CB-CB 4.16Å; K467-H470 HydrophobicContact CD-CB 4.27Å; K467-R531 PolarHBondContact O-NH2 2.96Å
468H98.3Very high98.1Very high32 Ų3231.6 Ų31.615%0.14817%0.17CC..SBendtrans-110.5-2517055.656.1000113.1E276 P523 H524 A527 R530E276-H468 VanDerWaalsContact CD-ND1 3.3Å; E276-H468 IonicContact OE1-CE1 2.9Å; E276-H468 PolarHBondContact OE1-CE1 2.75Å; E276-H468 IonicContact OE1-ND1 3.64Å; E276-H468 PolarHBondContact OE1-ND1 2.84Å; E276-H468 IonicContact OE1-NE2 2.79Å; E276-H468 IonicContact OE2-CE1 3.95Å; E276-H468 IonicContact OE2-CG 3.98Å; E276-H468 PolarHBondContact OE2-N 3.01Å; E276-H468 IonicContact OE2-ND1 3.65Å; E276-H468 PolarHBondContact OE2-ND1 3.06Å; H468-P523 HydrophobicContact CB-CB 4.04Å; H468-H524 AromaticContact CD2-CD2 3.81Å; H468-H524 AromaticContact CD2-CE1 3.98Å; H468-H524 AromaticContact CD2-NE2 3.57Å; H468-A527 HydrophobicContact CB-CB 4.32Å; H468-R530 PolarHBondContact O-NH1 2.97Å; H468-R530 PolarHBondContact O-NH2 2.99Å
469S98.3Very high98.1Very high87 Ų8731.6 Ų31.661%0.60817%0.17SC*.SBendtrans-80.4-17.8177.556.70000113.3E276E276-S469 VanDerWaalsContact OE1-CB 3.27Å; E276-S469 WeakPolarHBondContact OE1-CB 3.32Å; E276-S469 PolarHBondContact OE1-OG 3.46Å; E276-S469 PolarHBondContact OE2-N 3.12Å; E276-S469 PolarHBondContact OE2-OG 2.93Å
470H98.4Very high98.1Very high81 Ų8132.1 Ų32.138%0.37518%0.177SC..  trans-114.5147.8179.8-178.960.7000112.2K467 E472 R531K467-H470 HydrophobicContact CB-CB 4.16Å; K467-H470 HydrophobicContact CD-CB 4.27Å; H470-E472 IonicContact CD2-OE2 3.6Å; H470-E472 IonicContact CE1-OE2 3.28Å; H470-E472 IonicContact NE2-OE2 3.11Å; H470-E472 PolarHBondContact NE2-OE2 3.08Å; H470-R531 PolarHBondContact O-NH2 3.48Å
471D98.5Very high98.2Very high26 Ų2629.3 Ų29.314%0.13916%0.161CC..  trans-123114.7171.9-67.1-25.5000109.5F434 L473 R530 R531 L534F434-D471 HydrophobicContact CE2-CB 4.39Å; F434-D471 HydrophobicContact CZ-CB 4.32Å; D471-L473 PolarHBondContact O-N 3.39Å; D471-R530 VanDerWaalsContact CG-NH2 3.32Å; D471-R530 IonicContact OD1-CZ 2.68Å; D471-R530 IonicContact OD1-NE 2.82Å; D471-R530 IonicContact OD1-NH2 2.68Å; D471-R530 PolarHBondContact OD1-NH2 2.81Å; D471-R530 IonicContact OD2-CZ 3.55Å; D471-R530 IonicContact OD2-NE 3.28Å; D471-R530 PolarHBondContact OD2-NE 3.36Å; D471-R530 IonicContact OD2-NH2 3.21Å; D471-R530 PolarHBondContact OD2-NH2 2.86Å; D471-R531 HydrophobicContact CB-CG 4.46Å; D471-R531 VanDerWaalsContact OD1-CG 3.3Å; D471-R531 WeakPolarHBondContact OD1-CG 3.22Å; D471-R531 IonicContact OD1-CZ 2.69Å; D471-R531 IonicContact OD1-NE 2.7Å; D471-R531 PolarHBondContact OD1-NE 3.36Å; D471-R531 IonicContact OD1-NH2 2.75Å; D471-L534 HydrophobicContact CB-CD1 4.13Å; D471-L534 WeakPolarHBondContact OD2-CD1 3.13Å
472E98.1Very high98.2Very high44 Ų4429.2 Ų29.221%0.20616%0.161CC..  trans-86.384.8-172.1-175.550.6-119.500111.6F434 M439 H470 S474 I475F434-E472 WeakPolarHBondContact CD2-O 3.31Å; M439-E472 HydrophobicContact CE-CG 3.76Å; M439-E472 HydrophobicContact CG-CG 3.88Å; M439-E472 HydrophobicContact SD-CG 3.81Å; H470-E472 IonicContact CD2-OE2 3.6Å; H470-E472 IonicContact CE1-OE2 3.28Å; H470-E472 IonicContact NE2-OE2 3.11Å; H470-E472 PolarHBondContact NE2-OE2 3.08Å; E472-S474 PolarHBondContact O-N 2.98Å; E472-S474 VanDerWaalsContact O-N 3.08Å; E472-S474 VanDerWaalsContact OE1-CB 3.23Å; E472-S474 WeakPolarHBondContact OE1-CB 3.37Å; E472-S474 PolarHBondContact OE1-N 2.92Å; E472-S474 PolarHBondContact OE1-OG 3.15Å; E472-I475 HydrophobicContact CB-CD1 3.87Å; E472-I475 HydrophobicContact CB-CG1 4.22Å; E472-I475 HydrophobicContact CG-CD1 4.13Å; E472-I475 HydrophobicContact CG-CG1 4Å; E472-I475 WeakPolarHBondContact O-CB 3.46Å; E472-I475 WeakPolarHBondContact O-CG1 3.43Å; E472-I475 PolarHBondContact O-N 3.08Å
473L98.4Very high98.3Very high103 Ų10329.3 Ų29.354%0.53916%0.162SC..G310 helixtrans-56.3-25.4-178.4-63.3-179.2000113.5F434 D471 I475 L476 L534F434-L473 HydrophobicContact CE2-CD2 4.19Å; F434-L473 HydrophobicContact CZ-CD2 4.11Å; D471-L473 PolarHBondContact O-N 3.39Å; L473-I475 PolarHBondContact O-N 3.24Å; L473-I475 VanDerWaalsContact O-N 3.12Å; L473-L476 PolarHBondContact O-N 2.83Å; L473-L534 HydrophobicContact CD2-CD1 4.33Å
474S98.1Very high98.3Very high27 Ų2731.6 Ų31.619%0.18917%0.17CC..G310 helixtrans-66.8-9.3175.672.10000114.1R391 W401 E472R391-S474 PolarHBondContact NH1-OG 3.29Å; R391-S474 PolarHBondContact NH2-OG 3.22Å; W401-S474 WeakPolarHBondContact CH2-O 3.38Å; E472-S474 PolarHBondContact O-N 2.98Å; E472-S474 VanDerWaalsContact O-N 3.08Å; E472-S474 VanDerWaalsContact OE1-CB 3.23Å; E472-S474 WeakPolarHBondContact OE1-CB 3.37Å; E472-S474 PolarHBondContact OE1-N 2.92Å; E472-S474 PolarHBondContact OE1-OG 3.15Å
475I98.8Very high98.3Very high15 Ų1531.6 Ų31.68%0.07717%0.17CC..G310 helixtrans-74.9-33.7168.4-56.7164.5000110.9T430 D433 F434 N438 M439 E472 L473 V477 P478T430-I475 WeakPolarHBondContact CG2-O 3.49Å; D433-I475 HydrophobicContact CB-CG2 3.86Å; F434-I475 HydrophobicContact CB-CB 4.19Å; F434-I475 HydrophobicContact CB-CG2 3.89Å; F434-I475 HydrophobicContact CD2-CB 4.19Å; N438-I475 WeakPolarHBondContact O-CD1 3.35Å; M439-I475 HydrophobicContact CG-CD1 4.1Å; M439-I475 HydrophobicContact CG-CG1 4.26Å; E472-I475 HydrophobicContact CB-CD1 3.87Å; E472-I475 HydrophobicContact CB-CG1 4.22Å; E472-I475 HydrophobicContact CG-CD1 4.13Å; E472-I475 HydrophobicContact CG-CG1 4Å; E472-I475 WeakPolarHBondContact O-CB 3.46Å; E472-I475 WeakPolarHBondContact O-CG1 3.43Å; E472-I475 PolarHBondContact O-N 3.08Å; L473-I475 PolarHBondContact O-N 3.24Å; L473-I475 VanDerWaalsContact O-N 3.12Å; I475-V477 VanDerWaalsContact C-N 3.29Å; I475-V477 PolarHBondContact O-N 3.05Å; I475-P478 WeakPolarHBondContact O-CD 3.33Å
476L98.6Very high98.3Very high3 Ų332.1 Ų32.12%0.01617%0.173CC..SBendtrans-79.8-3.5-178.8-71.5-175.6000114.9T430 F434 L473 P478 L479 S480 V535 V538T430-L476 HydrophobicContact CG2-CD2 4.27Å; F434-L476 HydrophobicContact CB-CD2 3.51Å; F434-L476 HydrophobicContact CB-CG 3.9Å; F434-L476 HydrophobicContact CD1-CD1 3.65Å; F434-L476 HydrophobicContact CD1-CD2 3.74Å; F434-L476 HydrophobicContact CD1-CG 3.71Å; F434-L476 HydrophobicContact CD2-CD1 4.21Å; F434-L476 HydrophobicContact CD2-CD2 4.33Å; F434-L476 HydrophobicContact CD2-CG 3.73Å; F434-L476 HydrophobicContact CE1-CD1 3.58Å; F434-L476 HydrophobicContact CE1-CG 4.1Å; F434-L476 HydrophobicContact CE2-CD1 4.16Å; F434-L476 HydrophobicContact CE2-CG 4.13Å; F434-L476 HydrophobicContact CG-CD1 3.95Å; F434-L476 HydrophobicContact CG-CD2 3.6Å; F434-L476 HydrophobicContact CG-CG 3.48Å; F434-L476 VanDerWaalsContact CG-CG 3.48Å; F434-L476 HydrophobicContact CZ-CD1 3.85Å; F434-L476 HydrophobicContact CZ-CG 4.29Å; L473-L476 PolarHBondContact O-N 2.83Å; L476-P478 VanDerWaalsContact C-N 3.34Å; L476-L479 HydrophobicContact CD2-CD2 4.3Å; L476-L479 WeakPolarHBondContact O-CA 3.22Å; L476-L479 WeakPolarHBondContact O-CB 3.38Å; L476-L479 PolarHBondContact O-N 2.53Å; L476-S480 PolarHBondContact O-N 2.86Å; L476-S480 VanDerWaalsContact O-N 3.09Å; L476-V535 HydrophobicContact CD1-CG2 4.28Å; L476-V535 HydrophobicContact CD2-CG2 4.12Å; L476-V538 HydrophobicContact CD1-CG2 4.01Å
477V98.6Very high98.3Very high32 Ų3234.4 Ų34.419%0.19418%0.182CC..Hα-helixtrans-54.5-37.7-179.3174.90000114.4W401 I475 L479 S480 Q481W401-V477 HydrophobicContact CE3-CB 4.08Å; W401-V477 HydrophobicContact CE3-CG1 3.64Å; W401-V477 HydrophobicContact CZ3-CB 3.88Å; W401-V477 HydrophobicContact CZ3-CG1 3.94Å; W401-V477 HydrophobicContact CZ3-CG2 4.03Å; I475-V477 VanDerWaalsContact C-N 3.29Å; I475-V477 PolarHBondContact O-N 3.05Å; V477-L479 VanDerWaalsContact C-N 3.3Å; V477-L479 PolarHBondContact O-N 2.9Å; V477-S480 WeakPolarHBondContact CA-OG 3.17Å; V477-S480 PolarHBondContact O-N 2.95Å; V477-S480 PolarHBondContact O-OG 2.84Å; V477-Q481 HydrophobicContact CG1-CG 3.88Å; V477-Q481 WeakPolarHBondContact O-CB 3.4Å; V477-Q481 VanDerWaalsContact O-CG 3.27Å; V477-Q481 WeakPolarHBondContact O-CG 3.44Å; V477-Q481 PolarHBondContact O-N 2.71Å
478P98.7Very high98.3Very high5 Ų532.5 Ų32.53%0.03217%0.174CC..Hα-helixtrans-57-43.9171.8-1727.7000112W389 M427 T430 I475 L476 Q481 C482W389-P478 HydrophobicContact CB-CG 3.91Å; W389-P478 HydrophobicContact CD2-CB 3.64Å; W389-P478 HydrophobicContact CD2-CG 3.73Å; W389-P478 HydrophobicContact CE3-CB 3.92Å; W389-P478 HydrophobicContact CE3-CG 4.21Å; W389-P478 HydrophobicContact CG-CB 4.02Å; W389-P478 HydrophobicContact CG-CG 3.55Å; W389-P478 HydrophobicContact CH2-CB 4.48Å; W389-P478 HydrophobicContact CZ2-CB 4.22Å; W389-P478 HydrophobicContact CZ3-CB 4.33Å; M427-P478 HydrophobicContact CE-CB 3.82Å; M427-P478 HydrophobicContact SD-CB 4.3Å; T430-P478 HydrophobicContact CG2-CB 4.09Å; T430-P478 HydrophobicContact CG2-CG 3.89Å; I475-P478 WeakPolarHBondContact O-CD 3.33Å; L476-P478 VanDerWaalsContact C-N 3.34Å; P478-Q481 PolarHBondContact O-N 3.07Å; P478-C482 WeakPolarHBondContact O-CB 3.4Å; P478-C482 PolarHBondContact O-N 3.18Å; P478-C482 PolarHBondContact O-SG 3.18Å
479L98.4Very high98.3Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-67.1-41.3-178.4-164.468.2000111.8M427 T430 V431 L476 V477 C483 V535 V538 L539M427-L479 HydrophobicContact CB-CD1 3.95Å; M427-L479 HydrophobicContact CG-CD1 4.24Å; M427-L479 HydrophobicContact SD-CB 4.4Å; M427-L479 HydrophobicContact SD-CD1 3.89Å; T430-L479 HydrophobicContact CG2-CB 4.19Å; V431-L479 HydrophobicContact CG2-CD2 3.96Å; L476-L479 HydrophobicContact CD2-CD2 4.3Å; L476-L479 WeakPolarHBondContact O-CA 3.22Å; L476-L479 WeakPolarHBondContact O-CB 3.38Å; L476-L479 PolarHBondContact O-N 2.53Å; V477-L479 VanDerWaalsContact C-N 3.3Å; V477-L479 PolarHBondContact O-N 2.9Å; L479-C483 WeakPolarHBondContact O-CA 3.39Å; L479-C483 PolarHBondContact O-N 2.65Å; L479-V535 HydrophobicContact CD2-CG1 4.11Å; L479-V538 HydrophobicContact CD2-CG1 4.23Å; L479-V538 HydrophobicContact CG-CG1 4.34Å; L479-L539 HydrophobicContact CD1-CD2 3.97Å; L479-L539 HydrophobicContact CD2-CD2 3.92Å; L479-L539 HydrophobicContact CD2-CG 4.03Å; L479-L539 HydrophobicContact CG-CD2 3.98Å
480S97.9Very high98.3Very high58 Ų5828.2 Ų28.241%0.40614%0.144SC..Hα-helixtrans-78.7-20.9179.260.70000114.8L476 V477L476-S480 PolarHBondContact O-N 2.86Å; L476-S480 VanDerWaalsContact O-N 3.09Å; V477-S480 WeakPolarHBondContact CA-OG 3.17Å; V477-S480 PolarHBondContact O-N 2.95Å; V477-S480 PolarHBondContact O-OG 2.84Å
481Q98.1Very high98.3Very high26 Ų2626.6 Ų26.612%0.12114%0.138CC..Hα-helixtrans-86.8-38.6173.1-71.4-175.6-46.700112.2D404 P405 C408 V477 P478D404-Q481 PolarHBondContact O-NE2 3.44Å; P405-Q481 WeakPolarHBondContact O-CG 3.12Å; P405-Q481 PolarHBondContact O-NE2 2.76Å; C408-Q481 HydrophobicContact CB-CB 3.78Å; V477-Q481 HydrophobicContact CG1-CG 3.88Å; V477-Q481 WeakPolarHBondContact O-CB 3.4Å; V477-Q481 VanDerWaalsContact O-CG 3.27Å; V477-Q481 WeakPolarHBondContact O-CG 3.44Å; V477-Q481 PolarHBondContact O-N 2.71Å; P478-Q481 PolarHBondContact O-N 3.07Å
482C98.3Very high98.3Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-84.7-28.3-177.7-59.10000113.1W389 C408 M427 P478 R484W389-C482 WeakPolarHBondContact CH2-SG 3.44Å; W389-C482 WeakPolarHBondContact CZ2-SG 3.35Å; C408-C482 HydrophobicContact CB-CB 4.06Å; C408-C482 WeakPolarHBondContact CB-SG 3.46Å; C408-C482 WeakPolarHBondContact SG-CA 3.21Å; C408-C482 WeakPolarHBondContact SG-CB 3.3Å; C408-C482 CovalentContact SG-SG 2.03Å; C408-C482 PolarHBondContact SG-SG 3.38Å; M427-C482 HydrophobicContact CE-CB 3.9Å; M427-C482 WeakPolarHBondContact CE-SG 3.47Å; M427-C482 HydrophobicContact SD-CB 4Å; P478-C482 WeakPolarHBondContact O-CB 3.4Å; P478-C482 PolarHBondContact O-N 3.18Å; P478-C482 PolarHBondContact O-SG 3.18Å; C482-R484 WeakPolarHBondContact O-CG 3.36Å; C482-R484 PolarHBondContact O-N 2.88Å
483C98.1Very high98.4Very high3 Ų324.1 Ų24.12%0.0213%0.125CC..  trans43.746-175.7-79.10000113.5L479 C542 E546 V551L479-C483 WeakPolarHBondContact O-CA 3.39Å; L479-C483 PolarHBondContact O-N 2.65Å; C483-C542 WeakPolarHBondContact CA-SG 3.42Å; C483-C542 HydrophobicContact CB-CB 3.58Å; C483-C542 WeakPolarHBondContact CB-SG 3.25Å; C483-C542 WeakPolarHBondContact SG-CB 3.49Å; C483-C542 CovalentContact SG-SG 2.05Å; C483-C542 PolarHBondContact SG-SG 2.93Å; C483-E546 WeakPolarHBondContact CB-OE2 3.45Å; C483-V551 HydrophobicContact CB-CG2 4.48Å; C483-V551 VanDerWaalsContact O-CA 3.28Å; C483-V551 WeakPolarHBondContact O-CA 3.11Å; C483-V551 WeakPolarHBondContact O-CG1 3.37Å; C483-V551 WeakPolarHBondContact O-CG2 3.46Å
484R97.8Very high98.4Very high65 Ų6522.9 Ų22.925%0.24512%0.116CC..  trans-132.7141.6177.3-73171.267.5175.43.7110.3L424 M427 C482 V551 E553L424-R484 HydrophobicContact CD2-CB 4.04Å; M427-R484 VanDerWaalsContact CG-O 3.27Å; M427-R484 WeakPolarHBondContact CG-O 3.46Å; C482-R484 WeakPolarHBondContact O-CG 3.36Å; C482-R484 PolarHBondContact O-N 2.88Å; R484-V551 CarbonylContact C-O 3.57Å; R484-V551 WeakPolarHBondContact CA-O 3.38Å; R484-E553 IonicContact CZ-OE1 3.6Å; R484-E553 IonicContact CZ-OE2 2.76Å; R484-E553 IonicContact NE-OE1 3.45Å; R484-E553 PolarHBondContact NE-OE1 2.03Å; R484-E553 IonicContact NE-OE2 2.68Å; R484-E553 IonicContact NH2-OE1 3.44Å; R484-E553 PolarHBondContact NH2-OE1 3.32Å; R484-E553 IonicContact NH2-OE2 2.69Å; R484-E553 PolarHBondContact NH2-OE2 3.36Å
485V98.4Very high98.4Very high0 Ų021.8 Ų21.80%011%0.108CC..EExtended strand (participates in β ladder)trans-154.5150.5177.170.70000110.4T489 L539 V551 V552 E553V485-T489 HydrophobicContact CG2-CG2 4.24Å; V485-L539 HydrophobicContact CB-CD2 3.94Å; V485-L539 HydrophobicContact CG1-CD1 4.38Å; V485-L539 HydrophobicContact CG1-CD2 3.81Å; V485-L539 HydrophobicContact CG2-CD1 4.36Å; V485-L539 HydrophobicContact CG2-CD2 4.43Å; V485-V551 PolarHBondContact N-O 3.35Å; V485-V552 HydrophobicContact CG1-CG2 4.13Å; V485-V552 WeakPolarHBondContact O-CA 3.49Å; V485-E553 PolarHBondContact O-N 2.9Å
486K98.3Very high98.4Very high16 Ų1621.1 Ų21.17%0.0711%0.105CC..EExtended strand (participates in β ladder)trans-66.8140.9169.7-77169.9-173.9165.40110.9L424 D425 D428 S488 T489 Y490 D555L424-K486 HydrophobicContact CB-CD 4.49Å; L424-K486 HydrophobicContact CB-CG 4.07Å; L424-K486 HydrophobicContact CD1-CG 3.88Å; L424-K486 HydrophobicContact CG-CG 4.41Å; D425-K486 IonicContact OD1-NZ 3.97Å; D425-K486 PolarHBondContact OD1-NZ 3.39Å; D428-K486 IonicContact OD2-NZ 3.21Å; D428-K486 PolarHBondContact OD2-NZ 3.29Å; K486-S488 VanDerWaalsContact C-N 3.32Å; K486-S488 PolarHBondContact O-N 3.11Å; K486-T489 PolarHBondContact O-N 3.39Å; K486-Y490 WeakPolarHBondContact O-CB 3.5Å; K486-Y490 PolarHBondContact O-N 3.36Å; K486-D555 WeakPolarHBondContact CB-OD2 3.29Å; K486-D555 WeakPolarHBondContact CD-OD2 3.45Å; K486-D555 HydrophobicContact CG-CB 4.19Å
487K98.4Very high98.4Very high51 Ų5122.6 Ų22.622%0.22212%0.118CC..Hα-helixtrans-61.8-38.8172.2-165.7-171.3-174-176.20112Y490 L491 V552 E553 E554 D555 L556K487-Y490 PolarHBondContact O-N 3.14Å; K487-L491 HydrophobicContact CD-CD1 4.48Å; K487-L491 HydrophobicContact CG-CD1 3.92Å; K487-L491 HydrophobicContact CG-CG 4.28Å; K487-L491 WeakPolarHBondContact O-CB 3.38Å; K487-L491 VanDerWaalsContact O-CG 3.25Å; K487-L491 WeakPolarHBondContact O-CG 2.8Å; K487-L491 PolarHBondContact O-N 2.89Å; K487-V552 HydrophobicContact CB-CG1 3.75Å; K487-V552 HydrophobicContact CG-CG1 3.86Å; K487-E553 VanDerWaalsContact CB-O 3.3Å; K487-E553 WeakPolarHBondContact CB-O 3.41Å; K487-E553 PolarHBondContact N-O 3.16Å; K487-E554 WeakPolarHBondContact CD-OE1 3.31Å; K487-E554 IonicContact NZ-OE1 3.7Å; K487-E554 PolarHBondContact NZ-OE1 3.12Å; K487-E554 IonicContact NZ-OE2 2.64Å; K487-E554 PolarHBondContact NZ-OE2 3.41Å; K487-D555 PolarHBondContact N-OD1 3.18Å; K487-D555 VanDerWaalsContact N-OD1 3.13Å; K487-L556 HydrophobicContact CD-CD1 4.4Å
488S97.7Very high98.4Very high8 Ų826.4 Ų26.46%0.05613%0.132CC..Hα-helixtrans-62.6-45.4177.181.20000111.6K486 R492 D555 L556K486-S488 VanDerWaalsContact C-N 3.32Å; K486-S488 PolarHBondContact O-N 3.11Å; S488-R492 VanDerWaalsContact CB-NH1 3.3Å; S488-R492 WeakPolarHBondContact O-CB 3.15Å; S488-R492 VanDerWaalsContact O-CG 3.28Å; S488-R492 WeakPolarHBondContact O-CG 3.49Å; S488-R492 PolarHBondContact O-N 3.05Å; S488-R492 PolarHBondContact OG-NH1 2.8Å; S488-D555 WeakPolarHBondContact CB-OD1 3.07Å; S488-D555 WeakPolarHBondContact CB-OD2 3.47Å; S488-D555 PolarHBondContact N-OD1 2.97Å; S488-D555 PolarHBondContact OG-OD2 3.47Å; S488-L556 VanDerWaalsContact CB-CD2 3.5Å
489T98.5Very high98.2Very high3 Ų333.4 Ų33.42%0.01816%0.164CC..Hα-helixtrans-61.7-49.9173-57.90000111.2F305 D428 V485 K486 L491 R492 L493F305-T489 HydrophobicContact CE1-CG2 3.94Å; F305-T489 HydrophobicContact CZ-CG2 3.88Å; D428-T489 PolarHBondContact OD1-OG1 3.18Å; V485-T489 HydrophobicContact CG2-CG2 4.24Å; K486-T489 PolarHBondContact O-N 3.39Å; T489-L491 PolarHBondContact O-N 2.85Å; T489-R492 PolarHBondContact O-N 2.75Å; T489-L493 HydrophobicContact CG2-CD1 3.9Å; T489-L493 HydrophobicContact CG2-CG 4.32Å; T489-L493 VanDerWaalsContact O-CG 3.25Å; T489-L493 WeakPolarHBondContact O-CG 3.16Å; T489-L493 PolarHBondContact O-N 2.85Å
490Y98.7Very high98.1Very high27 Ų2738.7 Ų38.711%0.10619%0.189CC..Hα-helixtrans-57.2-48.1179.2179.9-115.2000112.8K486 K487 R492 L493 Q494 L536 L539 I543 Y548 V552K486-Y490 WeakPolarHBondContact O-CB 3.5Å; K486-Y490 PolarHBondContact O-N 3.36Å; K487-Y490 PolarHBondContact O-N 3.14Å; Y490-R492 PolarHBondContact O-N 3.4Å; Y490-L493 PolarHBondContact O-N 3.28Å; Y490-Q494 HydrophobicContact CE1-CG 4.43Å; Y490-Q494 HydrophobicContact CE2-CG 4.32Å; Y490-Q494 WeakPolarHBondContact O-CG 3.26Å; Y490-Q494 PolarHBondContact O-N 3Å; Y490-Q494 PolarHBondContact OH-NE2 2.97Å; Y490-L536 HydrophobicContact CE2-CD2 4.38Å; Y490-L539 HydrophobicContact CD2-CB 4.49Å; Y490-L539 HydrophobicContact CD2-CD1 3.89Å; Y490-L539 HydrophobicContact CE2-CB 4.25Å; Y490-L539 HydrophobicContact CE2-CD1 4.42Å; Y490-I543 HydrophobicContact CE2-CD1 4.07Å; Y490-Y548 HydrophobicContact CD1-CE2 4.47Å; Y490-Y548 AromaticContact CE1-CE2 3.9Å; Y490-Y548 HydrophobicContact CE1-CE2 3.9Å; Y490-V552 HydrophobicContact CD1-CG1 4.12Å; Y490-V552 HydrophobicContact CD1-CG2 4.27Å; Y490-V552 HydrophobicContact CE1-CG2 4.48Å; Y490-V552 HydrophobicContact CG-CG1 4.43Å; Y490-V552 HydrophobicContact CG-CG2 4.43Å
491L98.7Very high98Very high46 Ų4638.2 Ų38.224%0.24118%0.178CC..Hα-helixtrans-66.9-35.5179.3-67.6174.1000112.3L149 K487 T489 L495 L556L149-L491 HydrophobicContact CD1-CB 3.79Å; L149-L491 HydrophobicContact CD2-CB 3.94Å; L149-L491 HydrophobicContact CD2-CD1 4.06Å; K487-L491 HydrophobicContact CD-CD1 4.48Å; K487-L491 HydrophobicContact CG-CD1 3.92Å; K487-L491 HydrophobicContact CG-CG 4.28Å; K487-L491 WeakPolarHBondContact O-CB 3.38Å; K487-L491 VanDerWaalsContact O-CG 3.25Å; K487-L491 WeakPolarHBondContact O-CG 2.8Å; K487-L491 PolarHBondContact O-N 2.89Å; T489-L491 PolarHBondContact O-N 2.85Å; L491-L495 PolarHBondContact O-N 2.81Å; L491-L556 HydrophobicContact CD1-CD1 3.89Å
492R98.7Very high98Very high18 Ų1839.2 Ų39.27%0.06818%0.183CC..Hα-helixtrans-66.6-43172.5-72.1-179.8-162.5110.3-1.4111.7L149 Y150 L303 D304 S488 T489 Y490 Q494 L495 L496L149-R492 HydrophobicContact CB-CG 4.23Å; L149-R492 PolarHBondContact O-NE 2.79Å; L149-R492 PolarHBondContact O-NH2 2.7Å; Y150-R492 HydrophobicContact CE2-CG 4.21Å; L303-R492 VanDerWaalsContact O-CD 3.3Å; L303-R492 WeakPolarHBondContact O-CD 3.24Å; D304-R492 IonicContact OD2-CZ 3.94Å; D304-R492 IonicContact OD2-NE 2.68Å; D304-R492 IonicContact OD2-NH2 2.65Å; D304-R492 PolarHBondContact OD2-NH2 3.34Å; D304-R492 VanDerWaalsContact OD2-NH2 3.09Å; S488-R492 VanDerWaalsContact CB-NH1 3.3Å; S488-R492 WeakPolarHBondContact O-CB 3.15Å; S488-R492 VanDerWaalsContact O-CG 3.28Å; S488-R492 WeakPolarHBondContact O-CG 3.49Å; S488-R492 PolarHBondContact O-N 3.05Å; S488-R492 PolarHBondContact OG-NH1 2.8Å; T489-R492 PolarHBondContact O-N 2.75Å; Y490-R492 PolarHBondContact O-N 3.4Å; R492-Q494 VanDerWaalsContact C-N 3.34Å; R492-Q494 PolarHBondContact O-N 2.86Å; R492-L495 WeakPolarHBondContact O-CB 3.5Å; R492-L495 PolarHBondContact O-N 2.68Å; R492-L495 VanDerWaalsContact O-N 3.17Å; R492-L496 WeakPolarHBondContact O-CB 3.49Å; R492-L496 VanDerWaalsContact O-CG 3.24Å; R492-L496 WeakPolarHBondContact O-CG 3.06Å; R492-L496 PolarHBondContact O-N 3.45Å
493L98.9Very high98Very high1 Ų139.2 Ų39.21%0.00518%0.183CC..Hα-helixtrans-61.4-41.6175.7-66.2167.8000111.8L303 V431 T489 Y490 L496 A497 L532 V535 L536 L539L303-L493 HydrophobicContact CD2-CD2 3.98Å; V431-L493 HydrophobicContact CG1-CD1 4.06Å; V431-L493 HydrophobicContact CG1-CD2 3.74Å; V431-L493 HydrophobicContact CG2-CD1 4.49Å; T489-L493 HydrophobicContact CG2-CD1 3.9Å; T489-L493 HydrophobicContact CG2-CG 4.32Å; T489-L493 VanDerWaalsContact O-CG 3.25Å; T489-L493 WeakPolarHBondContact O-CG 3.16Å; T489-L493 PolarHBondContact O-N 2.85Å; Y490-L493 PolarHBondContact O-N 3.28Å; L493-L496 PolarHBondContact O-N 3.22Å; L493-A497 PolarHBondContact O-N 2.95Å; L493-L532 HydrophobicContact CB-CD1 3.95Å; L493-L532 HydrophobicContact CD2-CD1 3.41Å; L493-L532 VanDerWaalsContact CD2-CD1 3.41Å; L493-L532 HydrophobicContact CG-CD1 4.27Å; L493-V535 HydrophobicContact CD1-CG1 3.94Å; L493-L536 HydrophobicContact CB-CD2 3.93Å; L493-L539 HydrophobicContact CD1-CD1 4.19Å
494Q98.8Very high98Very high77 Ų7739 Ų3936%0.3618%0.182SC..Hα-helixtrans-63.8-37.3173.7-73.8-173.3-35.700112.9Y490 R492 L536Y490-Q494 HydrophobicContact CE1-CG 4.43Å; Y490-Q494 HydrophobicContact CE2-CG 4.32Å; Y490-Q494 WeakPolarHBondContact O-CG 3.26Å; Y490-Q494 PolarHBondContact O-N 3Å; Y490-Q494 PolarHBondContact OH-NE2 2.97Å; R492-Q494 VanDerWaalsContact C-N 3.34Å; R492-Q494 PolarHBondContact O-N 2.86Å; Q494-L536 HydrophobicContact CG-CD2 3.92Å
495L98.8Very high98.1Very high4 Ų436.8 Ų36.82%0.02118%0.176CC..Hα-helixtrans-65.7-49.6175.1-17573.1000111.3L144 H147 L149 Y150 L491 R492 A497 K498 Y501L144-L495 HydrophobicContact CD1-CD2 3.95Å; H147-L495 HydrophobicContact CB-CD2 4.41Å; H147-L495 WeakPolarHBondContact ND1-CD2 3.49Å; L149-L495 HydrophobicContact CD1-CB 4.45Å; L149-L495 HydrophobicContact CD1-CD2 4.46Å; Y150-L495 HydrophobicContact CE2-CD2 3.92Å; L491-L495 PolarHBondContact O-N 2.81Å; R492-L495 WeakPolarHBondContact O-CB 3.5Å; R492-L495 PolarHBondContact O-N 2.68Å; R492-L495 VanDerWaalsContact O-N 3.17Å; L495-A497 PolarHBondContact O-N 3.5Å; L495-A497 VanDerWaalsContact O-N 3.1Å; L495-K498 HydrophobicContact CD1-CD 4.36Å; L495-K498 WeakPolarHBondContact O-CB 3.42Å; L495-K498 WeakPolarHBondContact O-CG 3.41Å; L495-K498 PolarHBondContact O-N 3.38Å; L495-Y501 HydrophobicContact CD1-CD2 3.58Å; L495-Y501 HydrophobicContact CD1-CE2 3.79Å; L495-Y501 HydrophobicContact CD1-CG 4.04Å; L495-Y501 HydrophobicContact CD2-CD1 4.32Å; L495-Y501 HydrophobicContact CD2-CG 4.31Å; L495-Y501 HydrophobicContact CG-CD1 4.42Å; L495-Y501 HydrophobicContact CG-CD2 3.97Å; L495-Y501 HydrophobicContact CG-CG 3.91Å
496L98.8Very high98.1Very high0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-65.2-13.2-176.3-69.1168000113.9L144 I302 L303 R492 L493 Y501 L503 L506 L532L144-L496 HydrophobicContact CD1-CD2 3.84Å; L144-L496 HydrophobicContact CD2-CD2 4.47Å; I302-L496 HydrophobicContact CG2-CD1 4.4Å; I302-L496 HydrophobicContact CG2-CD2 3.83Å; L303-L496 HydrophobicContact CD2-CD1 3.78Å; R492-L496 WeakPolarHBondContact O-CB 3.49Å; R492-L496 VanDerWaalsContact O-CG 3.24Å; R492-L496 WeakPolarHBondContact O-CG 3.06Å; R492-L496 PolarHBondContact O-N 3.45Å; L493-L496 PolarHBondContact O-N 3.22Å; L496-Y501 CarbonylContact C-O 3.57Å; L496-Y501 WeakPolarHBondContact CA-O 3.3Å; L496-L503 HydrophobicContact CB-CB 4.42Å; L496-L503 HydrophobicContact CD2-CD1 4.48Å; L496-L503 PolarHBondContact O-N 3.46Å; L496-L503 VanDerWaalsContact O-N 3.08Å; L496-L506 HydrophobicContact CD2-CD1 3.35Å; L496-L532 VanDerWaalsContact C-CD2 3.41Å; L496-L532 HydrophobicContact CB-CD2 3.72Å; L496-L532 WeakPolarHBondContact O-CD2 3.28Å
497A98.3Very high98.1Very high35 Ų3536 Ų3629%0.28917%0.173SC..THydrogen-bonded Turntrans-89.6-8.1175.400000114L493 L495 L532 L536L493-A497 PolarHBondContact O-N 2.95Å; L495-A497 PolarHBondContact O-N 3.5Å; L495-A497 VanDerWaalsContact O-N 3.1Å; A497-L532 HydrophobicContact CB-CD2 3.97Å; A497-L532 HydrophobicContact CB-CG 4.27Å; A497-L536 HydrophobicContact CB-CD1 3.59Å
498K97.8Very high98.1Very high111 Ų11137 Ų3748%0.48318%0.178SC..SBendtrans-80.3162.4175-53.9-177.2-176.4177.70111.5L495 E500 Y501 Q502L495-K498 HydrophobicContact CD1-CD 4.36Å; L495-K498 WeakPolarHBondContact O-CB 3.42Å; L495-K498 WeakPolarHBondContact O-CG 3.41Å; L495-K498 PolarHBondContact O-N 3.38Å; K498-E500 WeakPolarHBondContact CB-OE2 3.35Å; K498-Y501 CarbonylContact O-C 3.53Å; K498-Q502 VanDerWaalsContact O-CA 3.29Å; K498-Q502 WeakPolarHBondContact O-CA 3.4Å; K498-Q502 PolarHBondContact O-N 2.98Å
499E95.1Very high98.1Very high152 Ų15239.2 Ų39.271%0.7119%0.187SC*.SBendtrans-70.5-33.2-176.3-170.1174.4162.500113.1Y501E499-Y501 VanDerWaalsContact C-N 3.34Å
500E95.4Very high98.1Very high112 Ų11239 Ų3952%0.52319%0.187SC..THydrogen-bonded Turntrans-72.3-31.6-178.4-4479.8-174.800111.8K498K498-E500 WeakPolarHBondContact CB-OE2 3.35Å
501Y97.3Very high98.1Very high47 Ų4738 Ų3818%0.18418%0.183CC..THydrogen-bonded Turntrans-117.229.2-176.6-56-86.6000112A143 L144 H147 L495 L496 K498 E499 L503 L506A143-Y501 HydrophobicContact CB-CE1 4.35Å; L144-Y501 HydrophobicContact CB-CD1 4.25Å; L144-Y501 HydrophobicContact CD1-CD1 3.8Å; L144-Y501 HydrophobicContact CD1-CG 4.47Å; H147-Y501 HydrophobicContact CB-CE1 4.49Å; L495-Y501 HydrophobicContact CD1-CD2 3.58Å; L495-Y501 HydrophobicContact CD1-CE2 3.79Å; L495-Y501 HydrophobicContact CD1-CG 4.04Å; L495-Y501 HydrophobicContact CD2-CD1 4.32Å; L495-Y501 HydrophobicContact CD2-CG 4.31Å; L495-Y501 HydrophobicContact CG-CD1 4.42Å; L495-Y501 HydrophobicContact CG-CD2 3.97Å; L495-Y501 HydrophobicContact CG-CG 3.91Å; L496-Y501 CarbonylContact C-O 3.57Å; L496-Y501 WeakPolarHBondContact CA-O 3.3Å; K498-Y501 CarbonylContact O-C 3.53Å; E499-Y501 VanDerWaalsContact C-N 3.34Å; Y501-L503 PolarHBondContact O-N 2.96Å; Y501-L506 WeakPolarHBondContact O-CD1 3.39Å
502Q97.6Very high98Very high47 Ų4741.3 Ų41.322%0.2220%0.2CC..  trans-56.5119.4-174.6-175.3-17615.100111.9K498 S504 S505 L506 D529K498-Q502 VanDerWaalsContact O-CA 3.29Å; K498-Q502 WeakPolarHBondContact O-CA 3.4Å; K498-Q502 PolarHBondContact O-N 2.98Å; Q502-S504 VanDerWaalsContact C-N 3.3Å; Q502-S504 WeakPolarHBondContact CG-OG 3.23Å; Q502-S504 PolarHBondContact NE2-OG 2.88Å; Q502-S504 PolarHBondContact O-N 2.91Å; Q502-S505 WeakPolarHBondContact O-CB 3.42Å; Q502-S505 PolarHBondContact O-N 3.23Å; Q502-S505 PolarHBondContact OE1-OG 3.01Å; Q502-L506 PolarHBondContact O-N 2.68Å; Q502-L506 VanDerWaalsContact O-N 3.09Å; Q502-D529 WeakPolarHBondContact CG-OD2 3.45Å; Q502-D529 PolarHBondContact NE2-OD2 3.14Å
503L98.7Very high97.7Very high0 Ų047.9 Ų47.90%023%0.225CC..Hα-helixtrans-49-45.4-175.1179.158.6000113.7L299 I302 L435 L496 Y501 S505 L506 M507 M528 L532L299-L503 HydrophobicContact CD1-CD1 4.05Å; I302-L503 HydrophobicContact CG2-CD1 3.84Å; L435-L503 HydrophobicContact CD1-CD2 4.47Å; L435-L503 HydrophobicContact CD2-CD2 4.11Å; L496-L503 HydrophobicContact CB-CB 4.42Å; L496-L503 HydrophobicContact CD2-CD1 4.48Å; L496-L503 PolarHBondContact O-N 3.46Å; L496-L503 VanDerWaalsContact O-N 3.08Å; Y501-L503 PolarHBondContact O-N 2.96Å; L503-S505 VanDerWaalsContact C-N 3.31Å; L503-S505 PolarHBondContact O-N 2.82Å; L503-L506 PolarHBondContact O-N 2.83Å; L503-M507 HydrophobicContact CD1-CG 4Å; L503-M507 HydrophobicContact CG-CG 4.42Å; L503-M507 WeakPolarHBondContact O-CB 3.42Å; L503-M507 WeakPolarHBondContact O-CG 3.32Å; L503-M507 PolarHBondContact O-N 3.4Å; L503-M528 HydrophobicContact CD2-CB 4.03Å; L503-M528 HydrophobicContact CD2-CE 4.29Å; L503-M528 HydrophobicContact CG-CB 4.36Å; L503-M528 HydrophobicContact CG-CE 4.35Å; L503-L532 HydrophobicContact CB-CD2 4.06Å; L503-L532 HydrophobicContact CD2-CB 4.34Å; L503-L532 HydrophobicContact CD2-CD2 4.11Å
504S98.4Very high97.7Very high0 Ų048.4 Ų48.40%023%0.228CC..Hα-helixtrans-58-39.617761.60000113.5Q502 E508 L525 D529Q502-S504 VanDerWaalsContact C-N 3.3Å; Q502-S504 WeakPolarHBondContact CG-OG 3.23Å; Q502-S504 PolarHBondContact NE2-OG 2.88Å; Q502-S504 PolarHBondContact O-N 2.91Å; S504-E508 VanDerWaalsContact O-CB 3.32Å; S504-E508 WeakPolarHBondContact O-CB 3.44Å; S504-E508 PolarHBondContact O-N 3.3Å; S504-L525 WeakPolarHBondContact CB-O 3.5Å; S504-D529 VanDerWaalsContact CB-CG 3.48Å; S504-D529 VanDerWaalsContact CB-OD1 3.3Å; S504-D529 WeakPolarHBondContact CB-OD1 2.99Å; S504-D529 WeakPolarHBondContact CB-OD2 3.33Å; S504-D529 PolarHBondContact N-OD1 3.44Å; S504-D529 VanDerWaalsContact OG-CG 3.27Å; S504-D529 PolarHBondContact OG-OD1 3.26Å; S504-D529 PolarHBondContact OG-OD2 2.94Å
505S98.2Very high97.5Very high17 Ų1752.7 Ų52.712%0.11924%0.241CC..Hα-helixtrans-72.5-39.7178.8-60.10000111.8R140 Q502 L503 E508 E509R140-S505 PolarHBondContact NH1-OG 2.93Å; Q502-S505 WeakPolarHBondContact O-CB 3.42Å; Q502-S505 PolarHBondContact O-N 3.23Å; Q502-S505 PolarHBondContact OE1-OG 3.01Å; L503-S505 VanDerWaalsContact C-N 3.31Å; L503-S505 PolarHBondContact O-N 2.82Å; S505-E508 PolarHBondContact O-N 3.4Å; S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 PolarHBondContact O-N 3.37Å
506L98.5Very high97.5Very high0 Ų053 Ų530%024%0.242CC..Hα-helixtrans-67.2-40.6177.6-65.5168.1000111.4R140 L141 L144 I302 L496 Y501 Q502 L503 S510R140-L506 VanDerWaalsContact C-CD2 3.42Å; R140-L506 HydrophobicContact CB-CD2 3.83Å; R140-L506 WeakPolarHBondContact O-CD2 3.33Å; L141-L506 HydrophobicContact CB-CD2 4.41Å; L141-L506 HydrophobicContact CD1-CD2 4.45Å; L144-L506 HydrophobicContact CB-CD2 4.09Å; L144-L506 HydrophobicContact CD1-CD1 3.92Å; L144-L506 HydrophobicContact CD2-CD1 4.03Å; L144-L506 HydrophobicContact CD2-CD2 4.4Å; L144-L506 HydrophobicContact CG-CD1 4.41Å; I302-L506 HydrophobicContact CD1-CB 4.07Å; I302-L506 HydrophobicContact CG2-CB 4.44Å; I302-L506 HydrophobicContact CG2-CD1 4.45Å; L496-L506 HydrophobicContact CD2-CD1 3.35Å; Y501-L506 WeakPolarHBondContact O-CD1 3.39Å; Q502-L506 PolarHBondContact O-N 2.68Å; Q502-L506 VanDerWaalsContact O-N 3.09Å; L503-L506 PolarHBondContact O-N 2.83Å; L506-S510 WeakPolarHBondContact O-CB 3.39Å; L506-S510 PolarHBondContact O-N 2.82Å
507M98.6Very high97.4Very high0 Ų055.9 Ų55.90%026%0.26CS..Hα-helixtrans-63.1-44.9173.4-78.5-65.7-59.500111.7A295 H298 L299 I302 L503 S510 L511 L520 L525 M528A295-M507 HydrophobicContact CB-CE 4.29Å; H298-M507 HydrophobicContact CB-CE 4.32Å; L299-M507 HydrophobicContact CB-CE 4.12Å; L299-M507 HydrophobicContact CB-SD 3.81Å; L299-M507 HydrophobicContact CD1-SD 4.31Å; I302-M507 HydrophobicContact CD1-CG 4.18Å; I302-M507 HydrophobicContact CD1-SD 3.73Å; L503-M507 HydrophobicContact CD1-CG 4Å; L503-M507 HydrophobicContact CG-CG 4.42Å; L503-M507 WeakPolarHBondContact O-CB 3.42Å; L503-M507 WeakPolarHBondContact O-CG 3.32Å; L503-M507 PolarHBondContact O-N 3.4Å; M507-S510 PolarHBondContact O-N 2.8Å; M507-L511 HydrophobicContact CE-CD1 3.89Å; M507-L511 HydrophobicContact CE-CG 4.44Å; M507-L511 VanDerWaalsContact O-CB 3.3Å; M507-L511 WeakPolarHBondContact O-CB 3.44Å; M507-L511 VanDerWaalsContact O-CG 3.25Å; M507-L511 WeakPolarHBondContact O-CG 3.4Å; M507-L511 PolarHBondContact O-N 3.29Å; M507-L520 HydrophobicContact CE-CD1 4.19Å; M507-L525 HydrophobicContact CB-CD2 3.67Å; M507-M528 HydrophobicContact CE-CE 3.94Å; M507-M528 HydrophobicContact CE-SD 4.22Å; M507-M528 HydrophobicContact CG-CE 3.58Å; M507-M528 HydrophobicContact CG-SD 3.96Å; M507-M528 HydrophobicContact SD-CE 3.88Å
508E98.3Very high97.3Very high73 Ų7358 Ų5834%0.34127%0.271SS..Hα-helixtrans-58.7-53.8175.9-165.5165.6-113.500111S504 S505 S510 L511 L512 R522 L525S504-E508 VanDerWaalsContact O-CB 3.32Å; S504-E508 WeakPolarHBondContact O-CB 3.44Å; S504-E508 PolarHBondContact O-N 3.3Å; S505-E508 PolarHBondContact O-N 3.4Å; E508-S510 VanDerWaalsContact C-N 3.33Å; E508-S510 PolarHBondContact O-N 2.95Å; E508-L511 PolarHBondContact O-N 2.79Å; E508-L512 WeakPolarHBondContact O-CG 3.42Å; E508-L512 PolarHBondContact O-N 3.32Å; E508-R522 IonicContact OE1-CZ 3.74Å; E508-R522 IonicContact OE1-NH1 2.67Å; E508-R522 PolarHBondContact OE1-NH1 2.73Å; E508-R522 IonicContact OE2-CZ 2.71Å; E508-R522 IonicContact OE2-NH1 3.64Å; E508-R522 PolarHBondContact OE2-NH1 2.71Å; E508-L525 HydrophobicContact CB-CD1 3.96Å; E508-L525 HydrophobicContact CG-CD1 4.02Å; E508-L525 WeakPolarHBondContact OE1-CD1 3.46Å
509E98.3Very high97.4Very high53 Ų5352.8 Ų52.825%0.24825%0.248CC..Hα-helixtrans-60.9-38.6178.4-169-177.2170.400112.9S139 R140 L141 S505S139-E509 WeakPolarHBondContact CA-OE1 3.37Å; S139-E509 WeakPolarHBondContact CB-OE1 3.46Å; S139-E509 PolarHBondContact OG-OE1 3.16Å; R140-E509 WeakPolarHBondContact CB-OE2 3.4Å; R140-E509 PolarHBondContact N-OE2 3.42Å; L141-E509 HydrophobicContact CB-CB 4.46Å; L141-E509 HydrophobicContact CB-CG 4.16Å; L141-E509 PolarHBondContact N-OE2 2.56Å; S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 PolarHBondContact O-N 3.37Å
510S97.9Very high97.5Very high0 Ų046.1 Ų46.10%022%0.217CC..Hα-helixtrans-67.8-41178-171.30000111.9H298 R301 L506 M507 E508H298-S510 PolarHBondContact CE1-O 3.05Å; H298-S510 VanDerWaalsContact ND1-C 3.34Å; H298-S510 PolarHBondContact ND1-O 3.43Å; H298-S510 VanDerWaalsContact ND1-O 3.09Å; H298-S510 PolarHBondContact ND1-OG 3.05Å; R301-S510 PolarHBondContact NH2-OG 2.99Å; L506-S510 WeakPolarHBondContact O-CB 3.39Å; L506-S510 PolarHBondContact O-N 2.82Å; M507-S510 PolarHBondContact O-N 2.8Å; E508-S510 VanDerWaalsContact C-N 3.33Å; E508-S510 PolarHBondContact O-N 2.95Å
511L98.4Very high97.7Very high6 Ų642.3 Ų42.33%0.03120%0.2CC..Hα-helixtrans-78.4-19-178.8-71170.4000113.8I294 H298 M507 E508 R513 D514 V519 L520I294-L511 HydrophobicContact CG2-CD2 4.07Å; H298-L511 HydrophobicContact CB-CD2 3.9Å; H298-L511 HydrophobicContact CB-CG 4.33Å; M507-L511 HydrophobicContact CE-CD1 3.89Å; M507-L511 HydrophobicContact CE-CG 4.44Å; M507-L511 VanDerWaalsContact O-CB 3.3Å; M507-L511 WeakPolarHBondContact O-CB 3.44Å; M507-L511 VanDerWaalsContact O-CG 3.25Å; M507-L511 WeakPolarHBondContact O-CG 3.4Å; M507-L511 PolarHBondContact O-N 3.29Å; E508-L511 PolarHBondContact O-N 2.79Å; L511-R513 PolarHBondContact O-N 3.17Å; L511-D514 PolarHBondContact O-N 3.3Å; L511-V519 HydrophobicContact CD1-CB 4.3Å; L511-V519 HydrophobicContact CD2-CB 4.02Å; L511-V519 HydrophobicContact CD2-CG1 4.18Å; L511-V519 HydrophobicContact CD2-CG2 4.19Å; L511-L520 HydrophobicContact CD1-CB 4.28Å; L511-L520 HydrophobicContact CD1-CD1 3.96Å; L511-L520 HydrophobicContact CD1-CG 3.93Å
512L97.5Very high97.7Very high115 Ų11545 Ų4560%0.60221%0.21SC*.THydrogen-bonded Turntrans-59.1-16.1172.1-77.4176.9000113.8E508E508-L512 WeakPolarHBondContact O-CG 3.42Å; E508-L512 PolarHBondContact O-N 3.32Å
513R92.9Very high97.8Very high156 Ų15645.4 Ų45.459%0.58922%0.217SC*.THydrogen-bonded Turntrans-80.6-15.1176.4-57.9-173.4-175.7-165.91.6113.8L511L511-R513 PolarHBondContact O-N 3.17Å
514D97.8Very high97.8Very high11 Ų1145.6 Ų45.66%0.05922%0.218CC..SBendtrans-84.6146-178.6-166.3-85.4000112.1I294 G313 L511 L516 T517 V519I294-D514 HydrophobicContact CG2-CB 4.49Å; G313-D514 WeakPolarHBondContact CA-OD1 3.45Å; G313-D514 PolarHBondContact N-OD1 2.83Å; G313-D514 PolarHBondContact N-OD2 2.71Å; L511-D514 PolarHBondContact O-N 3.3Å; D514-L516 VanDerWaalsContact C-N 3.26Å; D514-L516 PolarHBondContact O-N 2.78Å; D514-L516 WeakPolarHBondContact OD1-CB 3.5Å; D514-L516 PolarHBondContact OD1-N 3.1Å; D514-T517 WeakPolarHBondContact O-CB 3.33Å; D514-T517 WeakPolarHBondContact O-CG2 3.29Å; D514-T517 PolarHBondContact O-N 3.33Å; D514-V519 HydrophobicContact CB-CG2 3.93Å
515R95.7Very high97.8Very high168 Ų16845.8 Ų45.863%0.63422%0.219SC*.THydrogen-bonded Turntrans-70-19.9-180-78.9-158.5-176.7163.9-1.2114.2V236 T517V236-R515 HydrophobicContact CG1-CG 3.84Å; V236-R515 VanDerWaalsContact CG1-CZ 3.44Å; V236-R515 VanDerWaalsContact CG1-NE 3.33Å; R515-T517 VanDerWaalsContact C-N 3.26Å
516L97.6Very high97.8Very high9 Ų949 Ų495%0.04723%0.234CC..THydrogen-bonded Turntrans-92.520.2175.8-57-173.9000112.4R273 I294 E367 D514 P518 V519R273-L516 PolarHBondContact NH2-O 2.03Å; I294-L516 HydrophobicContact CD1-CD1 4.22Å; E367-L516 HydrophobicContact CB-CD1 4.07Å; E367-L516 HydrophobicContact CB-CD2 4.19Å; E367-L516 HydrophobicContact CG-CD2 3.88Å; D514-L516 VanDerWaalsContact C-N 3.26Å; D514-L516 PolarHBondContact O-N 2.78Å; D514-L516 WeakPolarHBondContact OD1-CB 3.5Å; D514-L516 PolarHBondContact OD1-N 3.1Å; L516-P518 CarbonylContact O-C 3.38Å; L516-V519 HydrophobicContact CB-CG2 4.46Å; L516-V519 PolarHBondContact O-N 3.11Å
517T96.7Very high97.9Very high62 Ų6249 Ų4938%0.3823%0.234SC..  trans-59.5132.9174.3-172.70000112.1D514 R515D514-T517 WeakPolarHBondContact O-CB 3.33Å; D514-T517 WeakPolarHBondContact O-CG2 3.29Å; D514-T517 PolarHBondContact O-N 3.33Å; R515-T517 VanDerWaalsContact C-N 3.26Å
518P97.4Very high97.9Very high79 Ų7949 Ų4951%0.51323%0.234SC..SBendcis-77.5123-231.5-33.7000112.3R273 L516R273-P518 WeakPolarHBondContact CD-O 3.32Å; R273-P518 PolarHBondContact NE-O 3.34Å; L516-P518 CarbonylContact O-C 3.38Å
519V98.5Very high97.9Very high2 Ų246 Ų461%0.01222%0.22CC..SBendtrans-73.6-37.7178.5179.30000111.4N291 I294 L511 D514 L516N291-V519 HydrophobicContact CB-CG1 4.04Å; N291-V519 WeakPolarHBondContact CB-O 3.36Å; N291-V519 PolarHBondContact OD1-O 3.18Å; I294-V519 HydrophobicContact CB-CG1 3.91Å; I294-V519 HydrophobicContact CD1-CG1 4.34Å; I294-V519 HydrophobicContact CG2-CG1 3.92Å; I294-V519 HydrophobicContact CG2-CG2 4.16Å; L511-V519 HydrophobicContact CD1-CB 4.3Å; L511-V519 HydrophobicContact CD2-CB 4.02Å; L511-V519 HydrophobicContact CD2-CG1 4.18Å; L511-V519 HydrophobicContact CD2-CG2 4.19Å; D514-V519 HydrophobicContact CB-CG2 3.93Å; L516-V519 HydrophobicContact CB-CG2 4.46Å; L516-V519 PolarHBondContact O-N 3.11Å
520L98.6Very high97.9Very high11 Ų1147.9 Ų47.96%0.05823%0.225CC..SBendtrans-117.6138.2172.5-66.2-177.5000110.1A295 F465 M507 L511 H524 L525 M528A295-L520 HydrophobicContact CB-CD1 3.83Å; A295-L520 HydrophobicContact CB-CD2 3.97Å; A295-L520 HydrophobicContact CB-CG 3.91Å; F465-L520 HydrophobicContact CB-CD2 4.09Å; F465-L520 HydrophobicContact CD1-CD1 3.96Å; F465-L520 HydrophobicContact CD1-CD2 3.74Å; F465-L520 HydrophobicContact CD2-CD2 4.35Å; F465-L520 HydrophobicContact CE1-CD1 3.64Å; F465-L520 HydrophobicContact CE1-CD2 4.25Å; F465-L520 HydrophobicContact CG-CD2 3.79Å; F465-L520 HydrophobicContact CZ-CD1 4.07Å; M507-L520 HydrophobicContact CE-CD1 4.19Å; L511-L520 HydrophobicContact CD1-CB 4.28Å; L511-L520 HydrophobicContact CD1-CD1 3.96Å; L511-L520 HydrophobicContact CD1-CG 3.93Å; L520-H524 HydrophobicContact CB-CB 4.31Å; L520-H524 HydrophobicContact CD1-CB 4.42Å; L520-H524 HydrophobicContact CD2-CB 4.28Å; L520-L525 HydrophobicContact CB-CD2 4.23Å; L520-L525 HydrophobicContact CB-CG 4.28Å; L520-L525 HydrophobicContact CD1-CD2 4.02Å; L520-M528 HydrophobicContact CD1-SD 4.21Å
521I98.4Very high98Very high33 Ų3348 Ų4817%0.16923%0.226CC..  trans-77.8155.4168.954.9163.3000111.4R273 P523 H524 L525R273-I521 HydrophobicContact CB-CG2 3.94Å; R273-I521 VanDerWaalsContact O-CD1 3.31Å; R273-I521 WeakPolarHBondContact O-CD1 3.4Å; R273-I521 WeakPolarHBondContact O-CG1 3.24Å; I521-P523 VanDerWaalsContact C-CD 3.43Å; I521-P523 VanDerWaalsContact C-N 3.32Å; I521-P523 HydrophobicContact CD1-CG 4.15Å; I521-P523 VanDerWaalsContact O-N 3.13Å; I521-H524 PolarHBondContact O-N 3.48Å; I521-L525 PolarHBondContact O-N 3.33Å
522R98.4Very high98Very high103 Ų10347.9 Ų47.939%0.38923%0.225SC..Hα-helixtrans-50-38.9-175.8-167.466.6-177.4-173.14.9114.9E508 H524 L525 L526E508-R522 IonicContact OE1-CZ 3.74Å; E508-R522 IonicContact OE1-NH1 2.67Å; E508-R522 PolarHBondContact OE1-NH1 2.73Å; E508-R522 IonicContact OE2-CZ 2.71Å; E508-R522 IonicContact OE2-NH1 3.64Å; E508-R522 PolarHBondContact OE2-NH1 2.71Å; R522-H524 VanDerWaalsContact C-N 3.35Å; R522-H524 PolarHBondContact O-N 3.4Å; R522-L525 PolarHBondContact O-N 2.91Å; R522-L526 HydrophobicContact CG-CD1 4.21Å; R522-L526 HydrophobicContact CG-CG 4.3Å; R522-L526 WeakPolarHBondContact O-CG 3.24Å; R522-L526 PolarHBondContact O-N 3.32Å
523P98.8Very high98Very high55 Ų5548.2 Ų48.236%0.35722%0.218SC..Hα-helixtrans-57.4-38.1174.2-29.338.1000115H468 I521 A527H468-P523 HydrophobicContact CB-CB 4.04Å; I521-P523 VanDerWaalsContact C-CD 3.43Å; I521-P523 VanDerWaalsContact C-N 3.32Å; I521-P523 HydrophobicContact CD1-CG 4.15Å; I521-P523 VanDerWaalsContact O-N 3.13Å; P523-A527 WeakPolarHBondContact O-CB 3.13Å; P523-A527 PolarHBondContact O-N 2.82Å
524H98.8Very high98.3Very high5 Ų543 Ų432%0.02320%0.201CC..Hα-helixtrans-66.9-43.5175.1-79-69.8000111.4F465 H468 L520 I521 R522 L526 A527 M528F465-H524 HydrophobicContact CD1-CB 4.19Å; F465-H524 AromaticContact CD1-ND1 3.84Å; F465-H524 PolarHBondContact O-CE1 3.1Å; F465-H524 PolarHBondContact O-NE2 3.37Å; H468-H524 AromaticContact CD2-CD2 3.81Å; H468-H524 AromaticContact CD2-CE1 3.98Å; H468-H524 AromaticContact CD2-NE2 3.57Å; L520-H524 HydrophobicContact CB-CB 4.31Å; L520-H524 HydrophobicContact CD1-CB 4.42Å; L520-H524 HydrophobicContact CD2-CB 4.28Å; I521-H524 PolarHBondContact O-N 3.48Å; R522-H524 VanDerWaalsContact C-N 3.35Å; R522-H524 PolarHBondContact O-N 3.4Å; H524-L526 VanDerWaalsContact C-N 3.34Å; H524-L526 PolarHBondContact O-N 2.85Å; H524-A527 WeakPolarHBondContact O-CB 3.43Å; H524-A527 PolarHBondContact O-N 3.18Å; H524-A527 VanDerWaalsContact O-N 3.14Å; H524-M528 WeakPolarHBondContact O-CG 3.07Å; H524-M528 PolarHBondContact O-N 2.67Å; H524-M528 VanDerWaalsContact O-N 3.08Å
525L98.8Very high98.4Very high4 Ų442.4 Ų42.42%0.02120%0.198CC..Hα-helixtrans-59.2-45.6177.4-62.6170.4000110.9S504 M507 E508 L520 I521 R522 A527 M528S504-L525 WeakPolarHBondContact CB-O 3.5Å; M507-L525 HydrophobicContact CB-CD2 3.67Å; E508-L525 HydrophobicContact CB-CD1 3.96Å; E508-L525 HydrophobicContact CG-CD1 4.02Å; E508-L525 WeakPolarHBondContact OE1-CD1 3.46Å; L520-L525 HydrophobicContact CB-CD2 4.23Å; L520-L525 HydrophobicContact CB-CG 4.28Å; L520-L525 HydrophobicContact CD1-CD2 4.02Å; I521-L525 PolarHBondContact O-N 3.33Å; R522-L525 PolarHBondContact O-N 2.91Å; L525-A527 VanDerWaalsContact C-N 3.34Å; L525-A527 PolarHBondContact O-N 3.23Å; L525-M528 WeakPolarHBondContact O-CB 3.49Å; L525-M528 PolarHBondContact O-N 2.64Å
526L98.7Very high98.5Very high85 Ų8536.1 Ų36.145%0.44518%0.177SC..Hα-helixtrans-67.1-31.8175.9-62.9177.7000113.1R522 H524 M528 D529 R530R522-L526 HydrophobicContact CG-CD1 4.21Å; R522-L526 HydrophobicContact CG-CG 4.3Å; R522-L526 WeakPolarHBondContact O-CG 3.24Å; R522-L526 PolarHBondContact O-N 3.32Å; H524-L526 VanDerWaalsContact C-N 3.34Å; H524-L526 PolarHBondContact O-N 2.85Å; L526-M528 VanDerWaalsContact C-N 3.31Å; L526-M528 PolarHBondContact O-N 3.34Å; L526-D529 PolarHBondContact O-N 3.25Å; L526-R530 PolarHBondContact O-N 3.29Å
527A98.9Very high98.6Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-64.8-34.2173.300000112.1H468 P523 H524 L525 R530 R531H468-A527 HydrophobicContact CB-CB 4.32Å; P523-A527 WeakPolarHBondContact O-CB 3.13Å; P523-A527 PolarHBondContact O-N 2.82Å; H524-A527 WeakPolarHBondContact O-CB 3.43Å; H524-A527 PolarHBondContact O-N 3.18Å; H524-A527 VanDerWaalsContact O-N 3.14Å; L525-A527 VanDerWaalsContact C-N 3.34Å; L525-A527 PolarHBondContact O-N 3.23Å; A527-R530 WeakPolarHBondContact O-CB 3.17Å; A527-R530 PolarHBondContact O-N 2.81Å; A527-R531 WeakPolarHBondContact O-CB 3.35Å; A527-R531 WeakPolarHBondContact O-CD 3.12Å; A527-R531 WeakPolarHBondContact O-CG 3.25Å; A527-R531 PolarHBondContact O-N 3.14Å
528M98.8Very high98.7Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-63.9-42.7176.5-63.1174.574.800112L299 F465 L503 M507 L520 H524 L525 L526 R530 R531 L532L299-M528 HydrophobicContact CB-CE 4.38Å; L299-M528 HydrophobicContact CD1-CE 3.64Å; L299-M528 HydrophobicContact CD2-CE 3.87Å; L299-M528 HydrophobicContact CG-CE 4.16Å; F465-M528 HydrophobicContact CE1-CE 4.39Å; F465-M528 HydrophobicContact CE1-CG 4.14Å; F465-M528 HydrophobicContact CE1-SD 3.71Å; F465-M528 HydrophobicContact CZ-CE 4.27Å; F465-M528 HydrophobicContact CZ-SD 4.12Å; L503-M528 HydrophobicContact CD2-CB 4.03Å; L503-M528 HydrophobicContact CD2-CE 4.29Å; L503-M528 HydrophobicContact CG-CB 4.36Å; L503-M528 HydrophobicContact CG-CE 4.35Å; M507-M528 HydrophobicContact CE-CE 3.94Å; M507-M528 HydrophobicContact CE-SD 4.22Å; M507-M528 HydrophobicContact CG-CE 3.58Å; M507-M528 HydrophobicContact CG-SD 3.96Å; M507-M528 HydrophobicContact SD-CE 3.88Å; L520-M528 HydrophobicContact CD1-SD 4.21Å; H524-M528 WeakPolarHBondContact O-CG 3.07Å; H524-M528 PolarHBondContact O-N 2.67Å; H524-M528 VanDerWaalsContact O-N 3.08Å; L525-M528 WeakPolarHBondContact O-CB 3.49Å; L525-M528 PolarHBondContact O-N 2.64Å; L526-M528 VanDerWaalsContact C-N 3.31Å; L526-M528 PolarHBondContact O-N 3.34Å; M528-R530 VanDerWaalsContact C-N 3.29Å; M528-R530 PolarHBondContact O-N 2.84Å; M528-R531 PolarHBondContact O-N 3.17Å; M528-L532 WeakPolarHBondContact O-CB 3.06Å; M528-L532 PolarHBondContact O-N 2.9Å
529D98.8Very high98.8Very high8 Ų836.9 Ų36.94%0.04317%0.172CC..Hα-helixtrans-63.7-34.9174.3-68.8-14.5000112.4Q502 S504 L526 R533Q502-D529 WeakPolarHBondContact CG-OD2 3.45Å; Q502-D529 PolarHBondContact NE2-OD2 3.14Å; S504-D529 VanDerWaalsContact CB-CG 3.48Å; S504-D529 VanDerWaalsContact CB-OD1 3.3Å; S504-D529 WeakPolarHBondContact CB-OD1 2.99Å; S504-D529 WeakPolarHBondContact CB-OD2 3.33Å; S504-D529 PolarHBondContact N-OD1 3.44Å; S504-D529 VanDerWaalsContact OG-CG 3.27Å; S504-D529 PolarHBondContact OG-OD1 3.26Å; S504-D529 PolarHBondContact OG-OD2 2.94Å; L526-D529 PolarHBondContact O-N 3.25Å; D529-R533 VanDerWaalsContact C-NH1 3.3Å; D529-R533 WeakPolarHBondContact O-CG 3.41Å; D529-R533 PolarHBondContact O-N 2.78Å; D529-R533 PolarHBondContact O-NH1 2.91Å
530R98.8Very high98.8Very high94 Ų9438.7 Ų38.736%0.35519%0.187SC..Hα-helixtrans-68.6-47.8177.4-171.8178.167.1-128.1-3110.4H468 D471 L526 A527 M528 R533 L534H468-R530 PolarHBondContact O-NH1 2.97Å; H468-R530 PolarHBondContact O-NH2 2.99Å; D471-R530 VanDerWaalsContact CG-NH2 3.32Å; D471-R530 IonicContact OD1-CZ 2.68Å; D471-R530 IonicContact OD1-NE 2.82Å; D471-R530 IonicContact OD1-NH2 2.68Å; D471-R530 PolarHBondContact OD1-NH2 2.81Å; D471-R530 IonicContact OD2-CZ 3.55Å; D471-R530 IonicContact OD2-NE 3.28Å; D471-R530 PolarHBondContact OD2-NE 3.36Å; D471-R530 IonicContact OD2-NH2 3.21Å; D471-R530 PolarHBondContact OD2-NH2 2.86Å; L526-R530 PolarHBondContact O-N 3.29Å; A527-R530 WeakPolarHBondContact O-CB 3.17Å; A527-R530 PolarHBondContact O-N 2.81Å; M528-R530 VanDerWaalsContact C-N 3.29Å; M528-R530 PolarHBondContact O-N 2.84Å; R530-R533 PolarHBondContact O-N 3.38Å; R530-L534 PolarHBondContact O-N 3.28Å
531R98.9Very high98.8Very high3 Ų340 Ų401%0.01120%0.203CC..Hα-helixtrans-62.2-41.5176.2-69.9163.3-176.9-176-1.7112.2F434 L435 M436 K467 H470 D471 A527 M528 R533 L534 V535F434-R531 HydrophobicContact CD1-CB 4.05Å; F434-R531 HydrophobicContact CD1-CG 4.47Å; F434-R531 HydrophobicContact CE1-CB 3.59Å; F434-R531 HydrophobicContact CE1-CG 3.89Å; F434-R531 WeakPolarHBondContact CE1-O 3.49Å; F434-R531 HydrophobicContact CZ-CB 4.23Å; F434-R531 HydrophobicContact CZ-CG 4.02Å; F434-R531 WeakPolarHBondContact O-CD 3.21Å; L435-R531 HydrophobicContact CD2-CB 3.98Å; L435-R531 WeakPolarHBondContact O-CD 3.34Å; L435-R531 PolarHBondContact O-NH1 3.21Å; M436-R531 PolarHBondContact O-NH1 3.4Å; K467-R531 PolarHBondContact O-NH2 2.96Å; H470-R531 PolarHBondContact O-NH2 3.48Å; D471-R531 HydrophobicContact CB-CG 4.46Å; D471-R531 VanDerWaalsContact OD1-CG 3.3Å; D471-R531 WeakPolarHBondContact OD1-CG 3.22Å; D471-R531 IonicContact OD1-CZ 2.69Å; D471-R531 IonicContact OD1-NE 2.7Å; D471-R531 PolarHBondContact OD1-NE 3.36Å; D471-R531 IonicContact OD1-NH2 2.75Å; A527-R531 WeakPolarHBondContact O-CB 3.35Å; A527-R531 WeakPolarHBondContact O-CD 3.12Å; A527-R531 WeakPolarHBondContact O-CG 3.25Å; A527-R531 PolarHBondContact O-N 3.14Å; M528-R531 PolarHBondContact O-N 3.17Å; R531-R533 VanDerWaalsContact C-N 3.28Å; R531-R533 PolarHBondContact O-N 3.11Å; R531-L534 WeakPolarHBondContact O-CA 3.39Å; R531-L534 WeakPolarHBondContact O-CB 3.44Å; R531-L534 PolarHBondContact O-N 2.97Å; R531-V535 WeakPolarHBondContact O-CG2 3.03Å; R531-V535 PolarHBondContact O-N 2.81Å
532L98.9Very high98.8Very high2 Ų238.6 Ų38.61%0.0120%0.197CC..Hα-helixtrans-57.8-40.3176.2179.858.7000112.4L435 L493 L496 A497 L503 M528 V535 L536L435-L532 HydrophobicContact CD2-CB 3.93Å; L493-L532 HydrophobicContact CB-CD1 3.95Å; L493-L532 HydrophobicContact CD2-CD1 3.41Å; L493-L532 VanDerWaalsContact CD2-CD1 3.41Å; L493-L532 HydrophobicContact CG-CD1 4.27Å; L496-L532 VanDerWaalsContact C-CD2 3.41Å; L496-L532 HydrophobicContact CB-CD2 3.72Å; L496-L532 WeakPolarHBondContact O-CD2 3.28Å; A497-L532 HydrophobicContact CB-CD2 3.97Å; A497-L532 HydrophobicContact CB-CG 4.27Å; L503-L532 HydrophobicContact CB-CD2 4.06Å; L503-L532 HydrophobicContact CD2-CB 4.34Å; L503-L532 HydrophobicContact CD2-CD2 4.11Å; M528-L532 WeakPolarHBondContact O-CB 3.06Å; M528-L532 PolarHBondContact O-N 2.9Å; L532-V535 PolarHBondContact O-N 3.46Å; L532-L536 WeakPolarHBondContact O-CG 3.27Å; L532-L536 PolarHBondContact O-N 3.36Å; L532-L536 VanDerWaalsContact O-N 3.08Å
533R98.8Very high98.8Very high123 Ų12335 Ų3546%0.46419%0.185SC..Hα-helixtrans-66.3-37.7174.1-66.4178.3-171.795.7-6.5112.3D529 R530 R531 L536 Q537D529-R533 VanDerWaalsContact C-NH1 3.3Å; D529-R533 WeakPolarHBondContact O-CG 3.41Å; D529-R533 PolarHBondContact O-N 2.78Å; D529-R533 PolarHBondContact O-NH1 2.91Å; R530-R533 PolarHBondContact O-N 3.38Å; R531-R533 VanDerWaalsContact C-N 3.28Å; R531-R533 PolarHBondContact O-N 3.11Å; R533-L536 PolarHBondContact O-N 2.67Å; R533-Q537 WeakPolarHBondContact O-CB 3.31Å; R533-Q537 VanDerWaalsContact O-CG 3.28Å; R533-Q537 WeakPolarHBondContact O-CG 3.38Å; R533-Q537 PolarHBondContact O-N 2.79Å
534L98.9Very high98.8Very high45 Ų4539 Ų3924%0.23620%0.203CC..Hα-helixtrans-64.6-39.6174.4-66.6168.6000112F434 D471 L473 R530 R531 Q537 V538F434-L534 HydrophobicContact CE1-CB 3.97Å; F434-L534 HydrophobicContact CE1-CD1 4.46Å; F434-L534 HydrophobicContact CZ-CB 4.09Å; F434-L534 HydrophobicContact CZ-CD1 3.92Å; D471-L534 HydrophobicContact CB-CD1 4.13Å; D471-L534 WeakPolarHBondContact OD2-CD1 3.13Å; L473-L534 HydrophobicContact CD2-CD1 4.33Å; R530-L534 PolarHBondContact O-N 3.28Å; R531-L534 WeakPolarHBondContact O-CA 3.39Å; R531-L534 WeakPolarHBondContact O-CB 3.44Å; R531-L534 PolarHBondContact O-N 2.97Å; L534-Q537 PolarHBondContact O-N 2.9Å; L534-V538 PolarHBondContact O-N 3.34Å
535V98.9Very high98.7Very high0 Ų046.2 Ų46.20%023%0.234CC..Hα-helixtrans-59.9-48.3172.8178.30000110.9V431 F434 L476 L479 L493 R531 L532 Q537 V538 L539V431-V535 HydrophobicContact CG1-CG1 4.15Å; V431-V535 HydrophobicContact CG1-CG2 4.4Å; V431-V535 HydrophobicContact CG2-CG1 3.78Å; F434-V535 HydrophobicContact CD1-CG2 3.63Å; F434-V535 HydrophobicContact CE1-CG2 4.04Å; L476-V535 HydrophobicContact CD1-CG2 4.28Å; L476-V535 HydrophobicContact CD2-CG2 4.12Å; L479-V535 HydrophobicContact CD2-CG1 4.11Å; L493-V535 HydrophobicContact CD1-CG1 3.94Å; R531-V535 WeakPolarHBondContact O-CG2 3.03Å; R531-V535 PolarHBondContact O-N 2.81Å; L532-V535 PolarHBondContact O-N 3.46Å; V535-Q537 VanDerWaalsContact C-N 3.29Å; V535-Q537 PolarHBondContact O-N 2.79Å; V535-V538 PolarHBondContact O-N 2.84Å; V535-L539 HydrophobicContact CG1-CD1 4.04Å; V535-L539 WeakPolarHBondContact O-CG 3.33Å; V535-L539 PolarHBondContact O-N 2.79Å
536L98.9Very high98.6Very high35 Ų3549 Ų4918%0.18325%0.247CC..Hα-helixtrans-64.7-31.8178.8-69.8173.1000112.6Y490 L493 Q494 A497 L532 R533 A540Y490-L536 HydrophobicContact CE2-CD2 4.38Å; L493-L536 HydrophobicContact CB-CD2 3.93Å; Q494-L536 HydrophobicContact CG-CD2 3.92Å; A497-L536 HydrophobicContact CB-CD1 3.59Å; L532-L536 WeakPolarHBondContact O-CG 3.27Å; L532-L536 PolarHBondContact O-N 3.36Å; L532-L536 VanDerWaalsContact O-N 3.08Å; R533-L536 PolarHBondContact O-N 2.67Å; L536-A540 WeakPolarHBondContact O-CB 3.28Å; L536-A540 PolarHBondContact O-N 2.97Å
537Q98.8Very high98.6Very high125 Ų12546.3 Ų46.358%0.58424%0.241SC*.Hα-helixtrans-69.2-41.2173.3-75.7170.1-1.400112.6R533 L534 V535 A540 G541R533-Q537 WeakPolarHBondContact O-CB 3.31Å; R533-Q537 VanDerWaalsContact O-CG 3.28Å; R533-Q537 WeakPolarHBondContact O-CG 3.38Å; R533-Q537 PolarHBondContact O-N 2.79Å; L534-Q537 PolarHBondContact O-N 2.9Å; V535-Q537 VanDerWaalsContact C-N 3.29Å; V535-Q537 PolarHBondContact O-N 2.79Å; Q537-A540 PolarHBondContact O-N 3.17Å; Q537-G541 PolarHBondContact O-N 3Å
538V98.8Very high98.6Very high41 Ų4151.1 Ų51.125%0.24826%0.259CS..Hα-helixtrans-62.5-44173.3169.90000110.7L476 L479 L534 V535 G541 C542L476-V538 HydrophobicContact CD1-CG2 4.01Å; L479-V538 HydrophobicContact CD2-CG1 4.23Å; L479-V538 HydrophobicContact CG-CG1 4.34Å; L534-V538 PolarHBondContact O-N 3.34Å; V535-V538 PolarHBondContact O-N 2.84Å; V538-G541 PolarHBondContact O-N 3.31Å; V538-C542 PolarHBondContact O-N 2.63Å
539L98.8Very high98.5Very high0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-66.2-38.1177.5-70174.5000112.7L479 V485 Y490 L493 V535 C542 I543L479-L539 HydrophobicContact CD1-CD2 3.97Å; L479-L539 HydrophobicContact CD2-CD2 3.92Å; L479-L539 HydrophobicContact CD2-CG 4.03Å; L479-L539 HydrophobicContact CG-CD2 3.98Å; V485-L539 HydrophobicContact CB-CD2 3.94Å; V485-L539 HydrophobicContact CG1-CD1 4.38Å; V485-L539 HydrophobicContact CG1-CD2 3.81Å; V485-L539 HydrophobicContact CG2-CD1 4.36Å; V485-L539 HydrophobicContact CG2-CD2 4.43Å; Y490-L539 HydrophobicContact CD2-CB 4.49Å; Y490-L539 HydrophobicContact CD2-CD1 3.89Å; Y490-L539 HydrophobicContact CE2-CB 4.25Å; Y490-L539 HydrophobicContact CE2-CD1 4.42Å; L493-L539 HydrophobicContact CD1-CD1 4.19Å; V535-L539 HydrophobicContact CG1-CD1 4.04Å; V535-L539 WeakPolarHBondContact O-CG 3.33Å; V535-L539 PolarHBondContact O-N 2.79Å; L539-C542 PolarHBondContact O-N 2.94Å; L539-I543 WeakPolarHBondContact O-CB 3.27Å; L539-I543 WeakPolarHBondContact O-CD1 3.31Å; L539-I543 VanDerWaalsContact O-CG1 3.24Å; L539-I543 WeakPolarHBondContact O-CG1 3.35Å; L539-I543 PolarHBondContact O-N 3.26Å
540A98.7Very high98.4Very high40 Ų4061.9 Ų61.933%0.33132%0.321SS..Hα-helixtrans-60.8-47.7171.600000111.4L536 Q537 C542 I543 D544L536-A540 WeakPolarHBondContact O-CB 3.28Å; L536-A540 PolarHBondContact O-N 2.97Å; Q537-A540 PolarHBondContact O-N 3.17Å; A540-C542 VanDerWaalsContact C-N 3.3Å; A540-C542 PolarHBondContact O-N 3.33Å; A540-I543 PolarHBondContact O-N 3.42Å; A540-D544 PolarHBondContact O-N 3.44Å
541G98.6Very high98.3Very high39 Ų3957.4 Ų57.440%0.40230%0.304SS..Hα-helixtrans-60.4-35.7176.800000113.9Q537 V538 K545Q537-G541 PolarHBondContact O-N 3Å; V538-G541 PolarHBondContact O-N 3.31Å; G541-K545 VanDerWaalsContact O-CB 3.24Å; G541-K545 WeakPolarHBondContact O-CB 3.44Å; G541-K545 PolarHBondContact O-N 3.28Å
542C98.5Very high98.3Very high4 Ų457.7 Ų57.73%0.02731%0.306CS..Hα-helixtrans-65.2-47.7169.4-750000111.9C483 V538 L539 A540 D544 K545 E546 V551C483-C542 WeakPolarHBondContact CA-SG 3.42Å; C483-C542 HydrophobicContact CB-CB 3.58Å; C483-C542 WeakPolarHBondContact CB-SG 3.25Å; C483-C542 WeakPolarHBondContact SG-CB 3.49Å; C483-C542 CovalentContact SG-SG 2.05Å; C483-C542 PolarHBondContact SG-SG 2.93Å; V538-C542 PolarHBondContact O-N 2.63Å; L539-C542 PolarHBondContact O-N 2.94Å; A540-C542 VanDerWaalsContact C-N 3.3Å; A540-C542 PolarHBondContact O-N 3.33Å; C542-D544 VanDerWaalsContact C-N 3.33Å; C542-D544 PolarHBondContact O-N 3.24Å; C542-K545 PolarHBondContact O-N 3.16Å; C542-E546 PolarHBondContact O-N 3.34Å; C542-V551 HydrophobicContact CB-CG1 3.88Å; C542-V551 HydrophobicContact CB-CG2 4.05Å
543I98.7Very high98.2Very high27 Ų2760.1 Ų60.114%0.13832%0.318CS..Hα-helixtrans-61.6-40.1-179.2-71.5164.6000111.5Y490 L539 A540 K545 G547 Y548 V551 V552Y490-I543 HydrophobicContact CE2-CD1 4.07Å; L539-I543 WeakPolarHBondContact O-CB 3.27Å; L539-I543 WeakPolarHBondContact O-CD1 3.31Å; L539-I543 VanDerWaalsContact O-CG1 3.24Å; L539-I543 WeakPolarHBondContact O-CG1 3.35Å; L539-I543 PolarHBondContact O-N 3.26Å; A540-I543 PolarHBondContact O-N 3.42Å; I543-K545 VanDerWaalsContact C-N 3.31Å; I543-K545 PolarHBondContact O-N 3.4Å; I543-G547 WeakPolarHBondContact O-CA 2.88Å; I543-G547 PolarHBondContact O-N 3Å; I543-Y548 HydrophobicContact CD1-CD2 4.11Å; I543-Y548 HydrophobicContact CG1-CD2 4.48Å; I543-Y548 HydrophobicContact CG2-CD2 4.38Å; I543-V551 HydrophobicContact CG1-CB 3.99Å; I543-V551 HydrophobicContact CG1-CG1 3.86Å; I543-V551 HydrophobicContact CG1-CG2 4.39Å; I543-V552 HydrophobicContact CD1-CG2 3.96Å; I543-V552 HydrophobicContact CG1-CG2 4.29Å
544D98.5Very high98Very high139 Ų13960 Ų6074%0.74332%0.322SS*.Hα-helixtrans-68.9-28.7178-68.6-23.3000112.7A540 C542A540-D544 PolarHBondContact O-N 3.44Å; C542-D544 VanDerWaalsContact C-N 3.33Å; C542-D544 PolarHBondContact O-N 3.24Å
545K97.5Very high97.7Very high156 Ų15660.6 Ų60.668%0.67833%0.326SS*.Hα-helixtrans-90.8-40.2-176.6-175.2-166167.2-1350113.2G541 C542 I543G541-K545 VanDerWaalsContact O-CB 3.24Å; G541-K545 WeakPolarHBondContact O-CB 3.44Å; G541-K545 PolarHBondContact O-N 3.28Å; C542-K545 PolarHBondContact O-N 3.16Å; I543-K545 VanDerWaalsContact C-N 3.31Å; I543-K545 PolarHBondContact O-N 3.4Å
546E97.4Very high97Very high62 Ų6262.2 Ų62.229%0.2933%0.334SS..Hα-helixtrans-118.4-11.8-169.5-67.4175.6-150.700113.1C483 C542 N550 V551C483-E546 WeakPolarHBondContact CB-OE2 3.45Å; C542-E546 PolarHBondContact O-N 3.34Å; E546-N550 PolarHBondContact O-ND2 3.3Å; E546-V551 HydrophobicContact CB-CG2 4.02Å
547G98.1Very high95.1Very high30 Ų3066.1 Ų66.131%0.30937%0.365SS..  trans88.7138.917600000113.7I543 V549 N550 V551I543-G547 WeakPolarHBondContact O-CA 2.88Å; I543-G547 PolarHBondContact O-N 3Å; G547-V549 VanDerWaalsContact C-N 3.29Å; G547-V549 PolarHBondContact O-N 2.9Å; G547-V549 VanDerWaalsContact O-N 3.08Å; G547-N550 PolarHBondContact O-N 2.67Å; G547-V551 PolarHBondContact O-N 2.86Å
548Y97.9Very high92.5Very high100 Ų10062.6 Ų62.639%0.39236%0.361SS..Hα-helixtrans-47.8-44.1-172.3-176.3-90.5000114.7Y490 I543 N550 V551 V552Y490-Y548 HydrophobicContact CD1-CE2 4.47Å; Y490-Y548 AromaticContact CE1-CE2 3.9Å; Y490-Y548 HydrophobicContact CE1-CE2 3.9Å; I543-Y548 HydrophobicContact CD1-CD2 4.11Å; I543-Y548 HydrophobicContact CG1-CD2 4.48Å; I543-Y548 HydrophobicContact CG2-CD2 4.38Å; Y548-N550 VanDerWaalsContact C-N 3.31Å; Y548-N550 PolarHBondContact O-N 2.93Å; Y548-V551 PolarHBondContact O-N 2.91Å; Y548-V552 HydrophobicContact CD1-CB 4.45Å; Y548-V552 HydrophobicContact CD2-CB 4.41Å; Y548-V552 HydrophobicContact CD2-CG2 3.94Å; Y548-V552 HydrophobicContact CE1-CB 4.09Å; Y548-V552 HydrophobicContact CE1-CG1 4.36Å; Y548-V552 HydrophobicContact CE2-CB 4.05Å; Y548-V552 HydrophobicContact CE2-CG1 4.3Å; Y548-V552 HydrophobicContact CE2-CG2 3.73Å; Y548-V552 HydrophobicContact CG-CG2 4.48Å; Y548-V552 WeakPolarHBondContact O-CB 3.29Å; Y548-V552 PolarHBondContact O-N 2.88Å
549V96.8Very high89.6Confident121 Ų12168.2 Ų68.273%0.73339%0.39SS*.Hα-helixtrans-70.8-25.3-175.3-177.60000112.8G547G547-V549 VanDerWaalsContact C-N 3.29Å; G547-V549 PolarHBondContact O-N 2.9Å; G547-V549 VanDerWaalsContact O-N 3.08Å
550N96.2Very high86.5Confident113 Ų11374.6 Ų74.660%0.60443%0.43SS*.Hα-helixtrans-84.5-26.2176.7-62.5-35.6000111.8E546 G547 Y548E546-N550 PolarHBondContact O-ND2 3.3Å; G547-N550 PolarHBondContact O-N 2.67Å; Y548-N550 VanDerWaalsContact C-N 3.31Å; Y548-N550 PolarHBondContact O-N 2.93Å
551V98.1Very high83.5Confident0 Ų079.3 Ų79.30%045%0.454CS..Hα-helixtrans-93.8-38.5-176.1179.50000112.9C483 R484 V485 C542 I543 E546 G547 Y548C483-V551 HydrophobicContact CB-CG2 4.48Å; C483-V551 VanDerWaalsContact O-CA 3.28Å; C483-V551 WeakPolarHBondContact O-CA 3.11Å; C483-V551 WeakPolarHBondContact O-CG1 3.37Å; C483-V551 WeakPolarHBondContact O-CG2 3.46Å; R484-V551 CarbonylContact C-O 3.57Å; R484-V551 WeakPolarHBondContact CA-O 3.38Å; V485-V551 PolarHBondContact N-O 3.35Å; C542-V551 HydrophobicContact CB-CG1 3.88Å; C542-V551 HydrophobicContact CB-CG2 4.05Å; I543-V551 HydrophobicContact CG1-CB 3.99Å; I543-V551 HydrophobicContact CG1-CG1 3.86Å; I543-V551 HydrophobicContact CG1-CG2 4.39Å; E546-V551 HydrophobicContact CB-CG2 4.02Å; G547-V551 PolarHBondContact O-N 2.86Å; Y548-V551 PolarHBondContact O-N 2.91Å
552V98.2Very high80.4Confident10 Ų1082.6 Ų82.66%0.06147%0.466CS..EExtended strand (participates in β ladder)trans-109.996.5-172.4-172.80000109.7V485 K487 Y490 I543 Y548V485-V552 HydrophobicContact CG1-CG2 4.13Å; V485-V552 WeakPolarHBondContact O-CA 3.49Å; K487-V552 HydrophobicContact CB-CG1 3.75Å; K487-V552 HydrophobicContact CG-CG1 3.86Å; Y490-V552 HydrophobicContact CD1-CG1 4.12Å; Y490-V552 HydrophobicContact CD1-CG2 4.27Å; Y490-V552 HydrophobicContact CE1-CG2 4.48Å; Y490-V552 HydrophobicContact CG-CG1 4.43Å; Y490-V552 HydrophobicContact CG-CG2 4.43Å; I543-V552 HydrophobicContact CD1-CG2 3.96Å; I543-V552 HydrophobicContact CG1-CG2 4.29Å; Y548-V552 HydrophobicContact CD1-CB 4.45Å; Y548-V552 HydrophobicContact CD2-CB 4.41Å; Y548-V552 HydrophobicContact CD2-CG2 3.94Å; Y548-V552 HydrophobicContact CE1-CB 4.09Å; Y548-V552 HydrophobicContact CE1-CG1 4.36Å; Y548-V552 HydrophobicContact CE2-CB 4.05Å; Y548-V552 HydrophobicContact CE2-CG1 4.3Å; Y548-V552 HydrophobicContact CE2-CG2 3.73Å; Y548-V552 HydrophobicContact CG-CG2 4.48Å; Y548-V552 WeakPolarHBondContact O-CB 3.29Å; Y548-V552 PolarHBondContact O-N 2.88Å
553E96.8Very high77.4Confident52 Ų5291 Ų9124%0.24351%0.505CS..EExtended strand (participates in β ladder)trans-81.3137.3-176.3-75.3175.8-97.400112.4L424 R484 V485 K487 D555L424-E553 HydrophobicContact CD1-CB 3.96Å; L424-E553 HydrophobicContact CD1-CG 4.47Å; L424-E553 VanDerWaalsContact CD2-OE1 3.3Å; L424-E553 WeakPolarHBondContact CD2-OE1 3.04Å; R484-E553 IonicContact CZ-OE1 3.6Å; R484-E553 IonicContact CZ-OE2 2.76Å; R484-E553 IonicContact NE-OE1 3.45Å; R484-E553 PolarHBondContact NE-OE1 2.03Å; R484-E553 IonicContact NE-OE2 2.68Å; R484-E553 IonicContact NH2-OE1 3.44Å; R484-E553 PolarHBondContact NH2-OE1 3.32Å; R484-E553 IonicContact NH2-OE2 2.69Å; R484-E553 PolarHBondContact NH2-OE2 3.36Å; V485-E553 PolarHBondContact O-N 2.9Å; K487-E553 VanDerWaalsContact CB-O 3.3Å; K487-E553 WeakPolarHBondContact CB-O 3.41Å; K487-E553 PolarHBondContact N-O 3.16Å; E553-D555 PolarHBondContact O-N 2.91Å
554E94.8Very high74.2Confident120 Ų120102 Ų10256%0.56154%0.544SS*.  trans-75.1104.9-177.9-17170.2-97.600111.6K487K487-E554 WeakPolarHBondContact CD-OE1 3.31Å; K487-E554 IonicContact NZ-OE1 3.7Å; K487-E554 PolarHBondContact NZ-OE1 3.12Å; K487-E554 IonicContact NZ-OE2 2.64Å; K487-E554 PolarHBondContact NZ-OE2 3.41Å
555D92.1Very high71Confident59 Ų5998.1 Ų98.132%0.31654%0.537SS..  trans-114.53.1172.971.7-44000113.2K486 K487 S488 E553K486-D555 WeakPolarHBondContact CB-OD2 3.29Å; K486-D555 WeakPolarHBondContact CD-OD2 3.45Å; K486-D555 HydrophobicContact CG-CB 4.19Å; K487-D555 PolarHBondContact N-OD1 3.18Å; K487-D555 VanDerWaalsContact N-OD1 3.13Å; S488-D555 WeakPolarHBondContact CB-OD1 3.07Å; S488-D555 WeakPolarHBondContact CB-OD2 3.47Å; S488-D555 PolarHBondContact N-OD1 2.97Å; S488-D555 PolarHBondContact OG-OD2 3.47Å; E553-D555 PolarHBondContact O-N 2.91Å
556L85.5Confident68.2Low33 Ų3397.4 Ų97.417%0.17355%0.549CS..SBendtrans-96.3114.7176.6-66.2178000110.4V152 K487 S488 L491 G558V152-L556 HydrophobicContact CB-CD2 4.44Å; V152-L556 HydrophobicContact CG1-CD2 3.91Å; V152-L556 HydrophobicContact CG2-CD2 3.83Å; K487-L556 HydrophobicContact CD-CD1 4.4Å; S488-L556 VanDerWaalsContact CB-CD2 3.5Å; L491-L556 HydrophobicContact CD1-CD1 3.89Å; L556-G558 PolarHBondContact O-N 3.24Å
557S59.3Low65.2Low118 Ų11898.3 Ų98.383%0.82557%0.567SS**  trans-66.995.4175.4-57.20000111.4
558G44.2Very low62.2Low50 Ų50105.6 Ų105.652%0.51559%0.592SS.*  trans-103146.616900000112.1L556 T560L556-G558 PolarHBondContact O-N 3.24Å; G558-T560 PolarHBondContact O-N 2.86Å; G558-T560 PolarHBondContact O-OG1 3.11Å
559D36.6Very low59.3Low159 Ų159115.8 Ų115.885%0.8563%0.63SS**  trans-52.496.1-175.3-74.2-61.4000114
560T33.7Very low57.4Low135 Ų135115.6 Ų115.683%0.82863%0.625SS**  trans-108.222.1175.237.10000112.5G558 T562G558-T560 PolarHBondContact O-N 2.86Å; G558-T560 PolarHBondContact O-OG1 3.11Å; T560-T562 VanDerWaalsContact C-N 3.27Å; T560-T562 PolarHBondContact O-N 3.48Å
561V35.7Very low55.3Low138 Ų138115.7 Ų115.784%0.83663%0.626SS**  trans-93.437.6170.3-161.20000111.3
562T34.4Very low53Low109 Ų109122.1 Ų122.167%0.66966%0.661SS**SBendtrans-134.4122.7163.246.80000112.1T560T560-T562 VanDerWaalsContact C-N 3.27Å; T560-T562 PolarHBondContact O-N 3.48Å
563H34.9Very low50.3Low181 Ų181128.7 Ų128.784%0.83870%0.696SS**  trans49.777.2161-59-66.3000119.8
564R31.9Very low47.4Very low256 Ų256133.5 Ų133.597%0.96673%0.725SS**  -116.294.6126.6-77.4-168.6176.5-176.31110.1
565G30.9Very low44.2Very low58 Ų58134.4 Ų134.460%0.59874%0.736SS**  trans-74.815716900000111.5A567G565-A567 PolarHBondContact O-N 3.03Å
566P40Very low40.8Very low141 Ų141139.8 Ų139.892%0.91677%0.766SS**  trans-77.1105.2-175.330-34.4000112.6
567A33.1Very low37.4Very low81 Ų81148 Ų14867%0.66981%0.811SS**  trans-149.2135.1166.900000108.9G565G565-A567 PolarHBondContact O-N 3.03Å
568H34.4Very low35.6Very low183 Ų183150.5 Ų150.585%0.84781%0.81SS**  cis-138.6176.2-2-101.9-47.2000111.1
569R37.1Very low34.8Very low315 Ų315159.6 Ų159.6100%1.18984%0.837SS**  trans-340177.7-69.5174172.7168.2-2.8115.9

Retrieved 569 of 569 residues in 530.9 ms (Link to these results)

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