A0A087X4M6_POEFO Loading...

Cytochrome P450, family 17, subfamily A, polypeptide 1

AlphaFold DB , UniProt , Accession A0A087X4M6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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
1L53.9Low73.7Confident207 Ų207114.4 Ų114.4100%1.08463%0.628SS**  0-33.40-85.8154.4000112.3
2T58.8Low74.7Confident109 Ų109114.8 Ų114.867%0.66962%0.619SS**Hα-helixtrans-70.7-38.3179.838.80000114.7A5 C6T2-A5 PolarHBondContact O-N 3.13Å; T2-C6 PolarHBondContact O-N 2.84Å; T2-C6 VanDerWaalsContact O-N 3.1Å
3D65.8Low75.3Confident128 Ų128110.3 Ų110.368%0.68461%0.608SS**Hα-helixtrans-71.3-39.6-177.5-70-31.6000114A5 C6 V7D3-A5 VanDerWaalsContact C-N 3.31Å; D3-A5 PolarHBondContact O-N 3.18Å; D3-C6 PolarHBondContact O-N 3.06Å; D3-V7 WeakPolarHBondContact O-CG2 3.27Å; D3-V7 PolarHBondContact O-N 3.4Å
4M64.9Low76.1Confident165 Ų165109.5 Ų109.581%0.81360%0.6SS**Hα-helixtrans-66.1-34.3175.3-91.5-152.6-95.300112.3F8M4-F8 WeakPolarHBondContact O-CB 3.35Å; M4-F8 PolarHBondContact O-N 2.77Å
5A72.8Confident76.7Confident50 Ų50109.1 Ų109.141%0.41360%0.596SS.*Hα-helixtrans-68.1-41176.200000111.6T2 D3 F8 L9T2-A5 PolarHBondContact O-N 3.13Å; D3-A5 VanDerWaalsContact C-N 3.31Å; D3-A5 PolarHBondContact O-N 3.18Å; A5-F8 PolarHBondContact O-N 3.16Å; A5-L9 WeakPolarHBondContact O-CB 3.42Å; A5-L9 WeakPolarHBondContact O-CG 3.29Å; A5-L9 PolarHBondContact O-N 3.32Å
6C77.4Confident77Confident69 Ų69105.9 Ų105.947%0.46658%0.581SS.*Hα-helixtrans-64.3-44.4174.8-77.80000112.4T2 D3 F8 L9 I10T2-C6 PolarHBondContact O-N 2.84Å; T2-C6 VanDerWaalsContact O-N 3.1Å; D3-C6 PolarHBondContact O-N 3.06Å; C6-F8 VanDerWaalsContact C-N 3.32Å; C6-F8 PolarHBondContact O-N 3.45Å; C6-L9 PolarHBondContact O-N 3.01Å; C6-I10 VanDerWaalsContact O-CG1 3.27Å; C6-I10 WeakPolarHBondContact O-CG1 3.4Å; C6-I10 PolarHBondContact O-N 2.89Å
7V80.3Confident77.4Confident92 Ų92106.3 Ų106.356%0.55858%0.582SS**Hα-helixtrans-61.4-43175.9173.20000110.7D3 I10 V11D3-V7 WeakPolarHBondContact O-CG2 3.27Å; D3-V7 PolarHBondContact O-N 3.4Å; V7-I10 PolarHBondContact O-N 3.43Å; V7-V11 HydrophobicContact CG1-CG2 4.39Å; V7-V11 WeakPolarHBondContact O-CB 3.35Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 3.3Å
8F83.6Confident77.6Confident149 Ų149105.1 Ų105.165%0.65458%0.578SS**Hα-helixtrans-62.9-43177.3-169.7-93.7000112.4M4 A5 C6 V11 F12M4-F8 WeakPolarHBondContact O-CB 3.35Å; M4-F8 PolarHBondContact O-N 2.77Å; A5-F8 PolarHBondContact O-N 3.16Å; C6-F8 VanDerWaalsContact C-N 3.32Å; C6-F8 PolarHBondContact O-N 3.45Å; F8-V11 PolarHBondContact O-N 3.02Å; F8-F12 VanDerWaalsContact O-CB 3.23Å; F8-F12 WeakPolarHBondContact O-CB 3.44Å; F8-F12 PolarHBondContact O-N 2.85Å
9L82.9Confident77.7Confident112 Ų112102.1 Ų102.159%0.58656%0.563SS**Hα-helixtrans-65-39177.2-75.9167.4000112.5A5 C6 F12 A13A5-L9 WeakPolarHBondContact O-CB 3.42Å; A5-L9 WeakPolarHBondContact O-CG 3.29Å; A5-L9 PolarHBondContact O-N 3.32Å; C6-L9 PolarHBondContact O-N 3.01Å; L9-F12 PolarHBondContact O-N 3.08Å; L9-A13 VanDerWaalsContact O-CB 3.26Å; L9-A13 WeakPolarHBondContact O-CB 3.46Å; L9-A13 PolarHBondContact O-N 3.21Å
10I84.8Confident77.5Confident101 Ų101101.3 Ų101.352%0.51856%0.557SS.*Hα-helixtrans-67-46.6176.5-68.4166000110.4C6 V7 F12 A13 I14C6-I10 VanDerWaalsContact O-CG1 3.27Å; C6-I10 WeakPolarHBondContact O-CG1 3.4Å; C6-I10 PolarHBondContact O-N 2.89Å; V7-I10 PolarHBondContact O-N 3.43Å; I10-F12 VanDerWaalsContact C-N 3.31Å; I10-F12 PolarHBondContact O-N 3.24Å; I10-A13 PolarHBondContact O-N 3.45Å; I10-I14 HydrophobicContact CG2-CD1 3.79Å; I10-I14 HydrophobicContact CG2-CG1 4.46Å; I10-I14 WeakPolarHBondContact O-CB 3.31Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 3.16Å
11V85Confident77.3Confident76 Ų76100.2 Ų100.246%0.46155%0.554SS.*Hα-helixtrans-61-42.8176.61710000110.8V7 F8 I14 L15V7-V11 HydrophobicContact CG1-CG2 4.39Å; V7-V11 WeakPolarHBondContact O-CB 3.35Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 3.3Å; F8-V11 PolarHBondContact O-N 3.02Å; V11-I14 PolarHBondContact O-N 3.22Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CB 3.48Å; V11-L15 PolarHBondContact O-N 3.44Å
12F86.4Confident78.3Confident119 Ų11994.2 Ų94.252%0.52252%0.517SS..Hα-helixtrans-63.7-45.2176.1-176.3-100000112F8 L9 I10 I14 L15 V16F8-F12 VanDerWaalsContact O-CB 3.23Å; F8-F12 WeakPolarHBondContact O-CB 3.44Å; F8-F12 PolarHBondContact O-N 2.85Å; L9-F12 PolarHBondContact O-N 3.08Å; I10-F12 VanDerWaalsContact C-N 3.31Å; I10-F12 PolarHBondContact O-N 3.24Å; F12-I14 PolarHBondContact O-N 3.45Å; F12-L15 WeakPolarHBondContact O-CB 3.39Å; F12-L15 PolarHBondContact O-N 3.39Å; F12-V16 HydrophobicContact CD1-CG2 4.13Å; F12-V16 HydrophobicContact CE1-CG2 3.77Å; F12-V16 HydrophobicContact CE2-CG2 4.38Å; F12-V16 HydrophobicContact CZ-CG2 3.91Å; F12-V16 VanDerWaalsContact O-CG2 3.31Å; F12-V16 WeakPolarHBondContact O-CG2 3.1Å; F12-V16 PolarHBondContact O-N 3.11Å
13A82.3Confident78.7Confident57 Ų5793.1 Ų93.147%0.47150%0.504SS..Hα-helixtrans-63.3-40.1177.600000112.2L9 I10 V16 L17L9-A13 VanDerWaalsContact O-CB 3.26Å; L9-A13 WeakPolarHBondContact O-CB 3.46Å; L9-A13 PolarHBondContact O-N 3.21Å; I10-A13 PolarHBondContact O-N 3.45Å; A13-V16 PolarHBondContact O-N 3.14Å; A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 PolarHBondContact O-N 2.95Å
14I87.1Confident78.6Confident99 Ų9992.8 Ų92.851%0.50850%0.501SS..Hα-helixtrans-64.1-45.3174-68.3167.6000110.3I10 V11 F12 V16 L17 V18I10-I14 HydrophobicContact CG2-CD1 3.79Å; I10-I14 HydrophobicContact CG2-CG1 4.46Å; I10-I14 WeakPolarHBondContact O-CB 3.31Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 3.16Å; V11-I14 PolarHBondContact O-N 3.22Å; F12-I14 PolarHBondContact O-N 3.45Å; I14-V16 VanDerWaalsContact C-N 3.35Å; I14-V16 PolarHBondContact O-N 3.04Å; I14-L17 PolarHBondContact O-N 2.66Å; I14-V18 HydrophobicContact CG2-CG2 4.29Å; I14-V18 WeakPolarHBondContact O-CB 3.49Å; I14-V18 VanDerWaalsContact O-CG2 3.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.41Å; I14-V18 PolarHBondContact O-N 3.06Å
15L84.4Confident78.7Confident103 Ų10392.2 Ų92.254%0.53950%0.495SS..Hα-helixtrans-58.1-45.8175.1-100.3151.8000111.7V11 F12 V18 V19V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CB 3.48Å; V11-L15 PolarHBondContact O-N 3.44Å; F12-L15 WeakPolarHBondContact O-CB 3.39Å; F12-L15 PolarHBondContact O-N 3.39Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-V19 WeakPolarHBondContact O-CB 3.2Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.12Å; L15-V19 PolarHBondContact O-N 2.98Å
16V82.2Confident78.4Confident58 Ų5891 Ų9135%0.35248%0.482SS..Hα-helixtrans-63.1-43.9177170.80000110.9F12 A13 I14 V18 V19 L20F12-V16 HydrophobicContact CD1-CG2 4.13Å; F12-V16 HydrophobicContact CE1-CG2 3.77Å; F12-V16 HydrophobicContact CE2-CG2 4.38Å; F12-V16 HydrophobicContact CZ-CG2 3.91Å; F12-V16 VanDerWaalsContact O-CG2 3.31Å; F12-V16 WeakPolarHBondContact O-CG2 3.1Å; F12-V16 PolarHBondContact O-N 3.11Å; A13-V16 PolarHBondContact O-N 3.14Å; I14-V16 VanDerWaalsContact C-N 3.35Å; I14-V16 PolarHBondContact O-N 3.04Å; V16-V18 PolarHBondContact O-N 3.45Å; V16-V19 PolarHBondContact O-N 3.49Å; V16-L20 HydrophobicContact CG1-CD1 3.71Å; V16-L20 HydrophobicContact CG1-CG 4.28Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 VanDerWaalsContact O-CG 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.37Å; V16-L20 PolarHBondContact O-N 3.48Å
17L82.6Confident77.7Confident113 Ų11395.3 Ų95.359%0.59249%0.493SS*.Hα-helixtrans-63.8-41.5177.3-164.483.7000111.8A13 I14 L20 T21A13-L17 WeakPolarHBondContact O-CB 3.34Å; A13-L17 PolarHBondContact O-N 2.95Å; I14-L17 PolarHBondContact O-N 2.66Å; L17-L20 PolarHBondContact O-N 3.12Å; L17-T21 HydrophobicContact CG-CG2 4.5Å; L17-T21 WeakPolarHBondContact O-CB 3.09Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.24Å; L17-T21 PolarHBondContact O-N 3.29Å; L17-T21 PolarHBondContact O-OG1 2.83Å
18V82.3Confident76.6Confident84 Ų8495.6 Ų95.651%0.50950%0.499SS..Hα-helixtrans-63.2-43.7174.7169.20000110.6I14 L15 V16 T21 W22I14-V18 HydrophobicContact CG2-CG2 4.29Å; I14-V18 WeakPolarHBondContact O-CB 3.49Å; I14-V18 VanDerWaalsContact O-CG2 3.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.41Å; I14-V18 PolarHBondContact O-N 3.06Å; L15-V18 PolarHBondContact O-N 2.92Å; V16-V18 PolarHBondContact O-N 3.45Å; V18-T21 WeakPolarHBondContact CA-OG1 3.39Å; V18-T21 PolarHBondContact O-OG1 2.8Å; V18-T21 VanDerWaalsContact O-OG1 3.13Å; V18-W22 WeakPolarHBondContact O-CB 3.25Å; V18-W22 PolarHBondContact O-N 3.45Å
19V78.9Confident75.4Confident48 Ų4890.5 Ų90.529%0.29148%0.481SS..Hα-helixtrans-64.3-43.6176.5170.60000111L15 V16 W22 Q23 P42L15-V19 WeakPolarHBondContact O-CB 3.2Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.12Å; L15-V19 PolarHBondContact O-N 2.98Å; V16-V19 PolarHBondContact O-N 3.49Å; V19-W22 PolarHBondContact O-N 2.78Å; V19-Q23 HydrophobicContact CG1-CG 4.33Å; V19-Q23 WeakPolarHBondContact O-CB 3.45Å; V19-Q23 VanDerWaalsContact O-CG 3.24Å; V19-Q23 WeakPolarHBondContact O-CG 3.49Å; V19-Q23 PolarHBondContact O-N 2.85Å; V19-P42 HydrophobicContact CG1-CG 4.22Å; V19-P42 HydrophobicContact CG2-CG 4.25Å
20L73.6Confident74.5Confident87 Ų8786.4 Ų86.446%0.45546%0.459SS..Hα-helixtrans-67.4-48.3-179.8-75169000112.2V16 L17 W22 Q23 L24V16-L20 HydrophobicContact CG1-CD1 3.71Å; V16-L20 HydrophobicContact CG1-CG 4.28Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 VanDerWaalsContact O-CG 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.37Å; V16-L20 PolarHBondContact O-N 3.48Å; L17-L20 PolarHBondContact O-N 3.12Å; L20-W22 VanDerWaalsContact C-N 3.28Å; L20-W22 PolarHBondContact O-N 3.2Å; L20-Q23 PolarHBondContact O-N 2.94Å; L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 3.43Å
21T74.4Confident73.5Confident79 Ų7983.7 Ų83.749%0.48546%0.456SS..Hα-helixtrans-62.8-36.9176.252.50000111.6L17 V18 K25L17-T21 HydrophobicContact CG-CG2 4.5Å; L17-T21 WeakPolarHBondContact O-CB 3.09Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.24Å; L17-T21 PolarHBondContact O-N 3.29Å; L17-T21 PolarHBondContact O-OG1 2.83Å; V18-T21 WeakPolarHBondContact CA-OG1 3.39Å; V18-T21 PolarHBondContact O-OG1 2.8Å; V18-T21 VanDerWaalsContact O-OG1 3.13Å; T21-K25 WeakPolarHBondContact O-CB 3.44Å; T21-K25 PolarHBondContact O-N 2.99Å
22W73.1Confident72.7Confident80 Ų8086.2 Ų86.230%0.30348%0.477SS..Hα-helixtrans-67-45.7172.6-177.488.7000112.2V18 V19 L20 L24 K25 V26 L41 P42V18-W22 WeakPolarHBondContact O-CB 3.25Å; V18-W22 PolarHBondContact O-N 3.45Å; V19-W22 PolarHBondContact O-N 2.78Å; L20-W22 VanDerWaalsContact C-N 3.28Å; L20-W22 PolarHBondContact O-N 3.2Å; W22-L24 VanDerWaalsContact C-N 3.27Å; W22-L24 PolarHBondContact O-N 3.1Å; W22-K25 CarbonylContact O-C 3.57Å; W22-K25 PolarHBondContact O-N 3.31Å; W22-K25 VanDerWaalsContact O-N 3.11Å; W22-V26 HydrophobicContact CD2-CG2 3.65Å; W22-V26 HydrophobicContact CE3-CG2 3.9Å; W22-V26 HydrophobicContact CG-CG2 4.31Å; W22-V26 HydrophobicContact CH2-CG1 4.48Å; W22-V26 HydrophobicContact CH2-CG2 3.7Å; W22-V26 HydrophobicContact CZ2-CG2 3.44Å; W22-V26 VanDerWaalsContact CZ2-CG2 3.44Å; W22-V26 HydrophobicContact CZ3-CB 4.47Å; W22-V26 HydrophobicContact CZ3-CG2 3.92Å; W22-V26 WeakPolarHBondContact O-CB 3.37Å; W22-V26 VanDerWaalsContact O-CG2 3.28Å; W22-V26 WeakPolarHBondContact O-CG2 3.27Å; W22-V26 PolarHBondContact O-N 2.98Å; W22-L41 WeakPolarHBondContact CH2-O 3.36Å; W22-P42 HydrophobicContact CD2-CB 4Å; W22-P42 HydrophobicContact CD2-CG 4.12Å; W22-P42 HydrophobicContact CE3-CB 3.86Å; W22-P42 HydrophobicContact CE3-CG 3.48Å; W22-P42 VanDerWaalsContact CE3-CG 3.48Å; W22-P42 HydrophobicContact CH2-CB 4.29Å; W22-P42 HydrophobicContact CH2-CG 4.26Å; W22-P42 VanDerWaalsContact CZ2-CA 3.49Å; W22-P42 HydrophobicContact CZ2-CB 4.39Å; W22-P42 HydrophobicContact CZ3-CB 4.02Å; W22-P42 VanDerWaalsContact CZ3-CD 3.43Å; W22-P42 HydrophobicContact CZ3-CG 3.57Å
23Q68.4Low72.5Confident86 Ų8685.3 Ų85.340%0.40247%0.474SS..Hα-helixtrans-59.4-39.6176.5-80.6-178.9-2.900111.5V19 L20 K27V19-Q23 HydrophobicContact CG1-CG 4.33Å; V19-Q23 WeakPolarHBondContact O-CB 3.45Å; V19-Q23 VanDerWaalsContact O-CG 3.24Å; V19-Q23 WeakPolarHBondContact O-CG 3.49Å; V19-Q23 PolarHBondContact O-N 2.85Å; L20-Q23 PolarHBondContact O-N 2.94Å; Q23-K27 VanDerWaalsContact O-CB 3.3Å; Q23-K27 WeakPolarHBondContact O-CB 3.25Å; Q23-K27 WeakPolarHBondContact O-CG 3.28Å; Q23-K27 PolarHBondContact O-N 2.85Å
24L64.2Low72.6Confident121 Ų12183.6 Ų83.663%0.63446%0.456SS*.Hα-helixtrans-66.4-41.7174.2-70170.8000111.8L20 W22 S28L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 3.43Å; W22-L24 VanDerWaalsContact C-N 3.27Å; W22-L24 PolarHBondContact O-N 3.1Å; L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 3.02Å; L24-S28 PolarHBondContact O-OG 2.86Å
25K67.1Low72.9Confident154 Ų15479 Ų7967%0.6743%0.433SS*.Hα-helixtrans-69-32.8177-165.2174.1-175.2176.60112.9T21 W22 S28 S29T21-K25 WeakPolarHBondContact O-CB 3.44Å; T21-K25 PolarHBondContact O-N 2.99Å; W22-K25 CarbonylContact O-C 3.57Å; W22-K25 PolarHBondContact O-N 3.31Å; W22-K25 VanDerWaalsContact O-N 3.11Å; K25-S28 PolarHBondContact O-OG 3.41Å; K25-S29 WeakPolarHBondContact O-CB 3.31Å; K25-S29 PolarHBondContact O-N 3Å
26V65.6Low73.3Confident24 Ų2476.6 Ų76.615%0.14542%0.424CS..Hα-helixtrans-71.9-50.8174.4169.10000109.9W22 S28 S29 F30W22-V26 HydrophobicContact CD2-CG2 3.65Å; W22-V26 HydrophobicContact CE3-CG2 3.9Å; W22-V26 HydrophobicContact CG-CG2 4.31Å; W22-V26 HydrophobicContact CH2-CG1 4.48Å; W22-V26 HydrophobicContact CH2-CG2 3.7Å; W22-V26 HydrophobicContact CZ2-CG2 3.44Å; W22-V26 VanDerWaalsContact CZ2-CG2 3.44Å; W22-V26 HydrophobicContact CZ3-CB 4.47Å; W22-V26 HydrophobicContact CZ3-CG2 3.92Å; W22-V26 WeakPolarHBondContact O-CB 3.37Å; W22-V26 VanDerWaalsContact O-CG2 3.28Å; W22-V26 WeakPolarHBondContact O-CG2 3.27Å; W22-V26 PolarHBondContact O-N 2.98Å; V26-S28 VanDerWaalsContact C-N 3.27Å; V26-S28 PolarHBondContact O-N 3.04Å; V26-S29 WeakPolarHBondContact O-CB 3.43Å; V26-S29 PolarHBondContact O-N 3Å; V26-F30 HydrophobicContact CG1-CD2 3.72Å; V26-F30 HydrophobicContact CG1-CE2 3.65Å; V26-F30 WeakPolarHBondContact O-CD2 3.29Å; V26-F30 PolarHBondContact O-N 3.1Å
27K61.9Low73.8Confident160 Ų16077.6 Ų77.670%0.69643%0.425SS*.Hα-helixtrans-58.2-36.9174.1-79.7-177.1174.9-178.50112.5Q23Q23-K27 VanDerWaalsContact O-CB 3.3Å; Q23-K27 WeakPolarHBondContact O-CB 3.25Å; Q23-K27 WeakPolarHBondContact O-CG 3.28Å; Q23-K27 PolarHBondContact O-N 2.85Å
28S57.1Low74.4Confident97 Ų9772.2 Ų72.268%0.67840%0.396SS*.Hα-helixtrans-76.2-24.5175.2800000113.4L24 K25 V26L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 3.02Å; L24-S28 PolarHBondContact O-OG 2.86Å; K25-S28 PolarHBondContact O-OG 3.41Å; V26-S28 VanDerWaalsContact C-N 3.27Å; V26-S28 PolarHBondContact O-N 3.04Å
29S59.6Low74.8Confident42 Ų4271.8 Ų71.829%0.29440%0.395SS..Hα-helixtrans-76-25.6174.9-169.30000112.5K25 V26 E34 R79 K398K25-S29 WeakPolarHBondContact O-CB 3.31Å; K25-S29 PolarHBondContact O-N 3Å; V26-S29 WeakPolarHBondContact O-CB 3.43Å; V26-S29 PolarHBondContact O-N 3Å; S29-E34 VanDerWaalsContact O-CD 3.24Å; S29-R79 PolarHBondContact OG-NH2 3.27Å; S29-K398 PolarHBondContact O-NZ 3.13Å; S29-K398 PolarHBondContact OG-NZ 3.03Å
30F63.6Low75.3Confident27 Ų2770.9 Ų70.912%0.11839%0.39CS..SBendtrans-96.485.5176.7-70.9-76.4000111.6V26 E34 H37 M74 R79V26-F30 HydrophobicContact CG1-CD2 3.72Å; V26-F30 HydrophobicContact CG1-CE2 3.65Å; V26-F30 WeakPolarHBondContact O-CD2 3.29Å; V26-F30 PolarHBondContact O-N 3.1Å; F30-E34 WeakPolarHBondContact CA-OE2 3.38Å; F30-E34 WeakPolarHBondContact CD1-OE2 3.47Å; F30-E34 WeakPolarHBondContact CE1-OE2 3.42Å; F30-H37 HydrophobicContact CD1-CB 4.42Å; F30-H37 AromaticContact CD1-ND1 3.97Å; F30-H37 HydrophobicContact CE1-CB 4.21Å; F30-M74 HydrophobicContact CZ-CG 4.39Å; F30-M74 HydrophobicContact CZ-SD 4.43Å; F30-R79 VanDerWaalsContact CZ-NH2 3.3Å
31G64.3Low75.9Confident44 Ų4470.6 Ų70.645%0.45439%0.388SS..  trans-75.4169.4175.100000113.7E33 E34G31-E33 PolarHBondContact O-N 3.04Å; G31-E33 VanDerWaalsContact O-N 3.12Å; G31-E34 WeakPolarHBondContact O-CB 3.41Å; G31-E34 PolarHBondContact O-N 3.14Å
32S66.9Low76.2Confident128 Ų12868.6 Ų68.690%0.89538%0.377SS*.THydrogen-bonded Turntrans-62.9-16.4-179.354.50000114.9
33E83.1Confident76.6Confident101 Ų10171.8 Ų71.847%0.47240%0.399SS..THydrogen-bonded Turntrans-96.24.4178.5-59.9170.3138.800112.5G31 F395 K396G31-E33 PolarHBondContact O-N 3.04Å; G31-E33 VanDerWaalsContact O-N 3.12Å; E33-F395 CarbonylContact O-C 3.55Å; E33-F395 VanDerWaalsContact O-CA 3.3Å; E33-F395 WeakPolarHBondContact O-CA 3.2Å; E33-K396 HydrophobicContact CB-CD 4.18Å; E33-K396 HydrophobicContact CB-CG 4.2Å; E33-K396 PolarHBondContact O-N 3.4Å; E33-K396 IonicContact OE1-NZ 3.49Å; E33-K396 VanDerWaalsContact OE2-CD 3.25Å; E33-K396 WeakPolarHBondContact OE2-CD 3.2Å; E33-K396 WeakPolarHBondContact OE2-CE 3.14Å; E33-K396 IonicContact OE2-NZ 2.9Å; E33-K396 PolarHBondContact OE2-NZ 3.35Å
34E84.9Confident77.5Confident20 Ų2071.1 Ų71.19%0.09340%0.397CS..SBendtrans-86.6152.3174.3-65.1-155.9162.200111S29 F30 G31 R79 K398S29-E34 VanDerWaalsContact O-CD 3.24Å; F30-E34 WeakPolarHBondContact CA-OE2 3.38Å; F30-E34 WeakPolarHBondContact CD1-OE2 3.47Å; F30-E34 WeakPolarHBondContact CE1-OE2 3.42Å; G31-E34 WeakPolarHBondContact O-CB 3.41Å; G31-E34 PolarHBondContact O-N 3.14Å; E34-R79 IonicContact OE1-CZ 3.6Å; E34-R79 IonicContact OE1-NH1 3.78Å; E34-R79 PolarHBondContact OE1-NH1 3.06Å; E34-R79 IonicContact OE1-NH2 3.57Å; E34-R79 IonicContact OE2-CZ 3.56Å; E34-R79 IonicContact OE2-NH1 2.78Å; E34-R79 PolarHBondContact OE2-NH1 3.32Å; E34-R79 IonicContact OE2-NH2 2.75Å; E34-R79 PolarHBondContact OE2-NH2 3.37Å; E34-K398 VanDerWaalsContact OE1-CE 3.29Å; E34-K398 WeakPolarHBondContact OE1-CE 3.29Å; E34-K398 IonicContact OE1-NZ 3.84Å; E34-K398 PolarHBondContact OE1-NZ 2.8Å; E34-K398 VanDerWaalsContact OE1-NZ 3.09Å
35P91.8Very high78.8Confident3 Ų365.5 Ų65.52%0.01937%0.369CS..  trans-63.6148.4179.127.9-32.9000110.4H37 S72 V81 F395P35-H37 PolarHBondContact O-N 2.88Å; P35-S72 PolarHBondContact O-OG 2.98Å; P35-V81 HydrophobicContact CG-CG2 4.22Å; P35-F395 VanDerWaalsContact CA-CD1 3.46Å; P35-F395 HydrophobicContact CB-CB 4.16Å; P35-F395 HydrophobicContact CB-CD1 4.02Å; P35-F395 HydrophobicContact CB-CD2 3.96Å; P35-F395 HydrophobicContact CB-CE1 4.41Å; P35-F395 HydrophobicContact CB-CE2 4.34Å; P35-F395 HydrophobicContact CB-CG 3.78Å; P35-F395 HydrophobicContact CG-CB 4.44Å
36P94.5Very high80Confident53 Ų5358.2 Ų58.234%0.34434%0.337SS..  trans-45.8138.3174.3-28.735.1000110.7Y67 Y71 S72P36-Y67 WeakPolarHBondContact CB-O 3.2Å; P36-Y67 WeakPolarHBondContact CG-O 3.49Å; P36-Y71 CarbonylContact O-C 3.48Å; P36-Y71 WeakPolarHBondContact O-CA 3.46Å; P36-Y71 WeakPolarHBondContact O-CB 3.26Å; P36-S72 PolarHBondContact O-N 3.02Å
37H92.1Very high81.2Confident79 Ų7958.8 Ų58.837%0.36634%0.339SS..BIsolated β-bridgetrans-125145.5-171.161.6-88.4000112.5F30 P35 Y67 S72F30-H37 HydrophobicContact CD1-CB 4.42Å; F30-H37 AromaticContact CD1-ND1 3.97Å; F30-H37 HydrophobicContact CE1-CB 4.21Å; P35-H37 PolarHBondContact O-N 2.88Å; H37-Y67 WeakPolarHBondContact O-CE1 3.24Å; H37-S72 VanDerWaalsContact CA-O 3.28Å; H37-S72 WeakPolarHBondContact CA-O 3.27Å; H37-S72 VanDerWaalsContact CB-OG 3.29Å; H37-S72 WeakPolarHBondContact CB-OG 3.43Å
38L94.7Very high82.5Confident0 Ų057 Ų570%034%0.336CS..  trans-66.9154.2170.5-87.564.7000110.4T40 L50 L63 Y67 Y71 S72 L73L38-T40 WeakPolarHBondContact O-CG2 3.37Å; L38-T40 PolarHBondContact O-N 2.81Å; L38-L50 HydrophobicContact CD2-CD2 3.59Å; L38-L50 HydrophobicContact CD2-CG 4.46Å; L38-L63 HydrophobicContact CD2-CD1 4.15Å; L38-Y67 HydrophobicContact CD1-CD1 4.31Å; L38-Y67 HydrophobicContact CD1-CD2 3.63Å; L38-Y67 HydrophobicContact CD1-CE1 4.31Å; L38-Y67 HydrophobicContact CD1-CE2 3.62Å; L38-Y67 HydrophobicContact CD1-CG 3.99Å; L38-Y67 HydrophobicContact CG-CD2 4.38Å; L38-Y67 HydrophobicContact CG-CE2 3.86Å; L38-Y71 HydrophobicContact CD1-CD2 3.57Å; L38-Y71 HydrophobicContact CD1-CE2 3.79Å; L38-S72 PolarHBondContact N-O 2.92Å; L38-L73 HydrophobicContact CB-CB 4.24Å; L38-L73 HydrophobicContact CD1-CB 4.5Å; L38-L73 HydrophobicContact CD2-CB 4.18Å
39P91.7Very high84Confident74 Ų7454.7 Ų54.748%0.48132%0.32SS..  trans-50.8134.1170.9-26.434.4000111.7S46 Y67P39-S46 WeakPolarHBondContact O-CA 3.36Å; P39-S46 WeakPolarHBondContact O-CB 3.38Å; P39-S46 PolarHBondContact O-OG 2.85Å; P39-Y67 WeakPolarHBondContact CD-OH 3.47Å
40T88.6Confident85.5Confident30 Ų3054 Ų5418%0.18431%0.314CS..  trans-120.7126.8-177.2580000111L38 M74L38-T40 WeakPolarHBondContact O-CG2 3.37Å; L38-T40 PolarHBondContact O-N 2.81Å; T40-M74 HydrophobicContact CG2-CB 4.03Å; T40-M74 HydrophobicContact CG2-CG 3.59Å
41L86.8Confident86.6Confident80 Ų8064 Ų6442%0.41935%0.35SS..BIsolated β-bridgetrans-101154.9171.4-66.7-179.2000112W22 L43 G45 L48W22-L41 WeakPolarHBondContact CH2-O 3.36Å; L41-L43 PolarHBondContact O-N 2.64Å; L41-G45 PolarHBondContact N-O 3.16Å; L41-G45 WeakPolarHBondContact O-CA 3.47Å; L41-G45 PolarHBondContact O-N 3.07Å; L41-L48 HydrophobicContact CD1-CD1 3.46Å; L41-L48 VanDerWaalsContact CD1-CD1 3.46Å; L41-L48 HydrophobicContact CD1-CG 4.31Å
42P81.2Confident87.8Confident38 Ų3864.4 Ų64.425%0.24735%0.346CS..THydrogen-bonded Turntrans-54.7137.7172.9-1826000111V19 W22 I44V19-P42 HydrophobicContact CG1-CG 4.22Å; V19-P42 HydrophobicContact CG2-CG 4.25Å; W22-P42 HydrophobicContact CD2-CB 4Å; W22-P42 HydrophobicContact CD2-CG 4.12Å; W22-P42 HydrophobicContact CE3-CB 3.86Å; W22-P42 HydrophobicContact CE3-CG 3.48Å; W22-P42 VanDerWaalsContact CE3-CG 3.48Å; W22-P42 HydrophobicContact CH2-CB 4.29Å; W22-P42 HydrophobicContact CH2-CG 4.26Å; W22-P42 VanDerWaalsContact CZ2-CA 3.49Å; W22-P42 HydrophobicContact CZ2-CB 4.39Å; W22-P42 HydrophobicContact CZ3-CB 4.02Å; W22-P42 VanDerWaalsContact CZ3-CD 3.43Å; W22-P42 HydrophobicContact CZ3-CG 3.57Å; P42-I44 PolarHBondContact O-N 3.33Å
43L80.9Confident88.8Confident147 Ų14767.7 Ų67.777%0.7735%0.347SS*.THydrogen-bonded Turntrans65-49.8178.5-55.3169.1000115.5L41 G76 F227L41-L43 PolarHBondContact O-N 2.64Å; L43-G76 CarbonylContact O-C 3.54Å; L43-G76 VanDerWaalsContact O-CA 3.26Å; L43-G76 WeakPolarHBondContact O-CA 3.41Å; L43-F227 WeakPolarHBondContact O-CE1 3.27Å
44I86.9Confident89.2Confident72 Ų7267.4 Ų67.437%0.36935%0.346SS..THydrogen-bonded Turntrans-76.8-29.5-175.9-62.1176.8000111.2P42 L47 G76P42-I44 PolarHBondContact O-N 3.33Å; I44-L47 HydrophobicContact CG2-CB 3.82Å; I44-L47 HydrophobicContact CG2-CD1 4.03Å; I44-L47 HydrophobicContact CG2-CG 4.22Å; I44-L47 WeakPolarHBondContact O-CG 3.44Å; I44-G76 PolarHBondContact O-N 3.46Å
45G90.8Very high89.6Confident3 Ų368.5 Ų68.53%0.03136%0.355CS..BIsolated β-bridgetrans72.6-132.6-174.400000111.4L41L41-G45 PolarHBondContact N-O 3.16Å; L41-G45 WeakPolarHBondContact O-CA 3.47Å; L41-G45 PolarHBondContact O-N 3.07Å
46S93.1Very high89.6Confident0 Ų069.4 Ų69.40%036%0.361CS..THydrogen-bonded Turntrans-96.85.6-174.9-56.40000113.9P39 L48 S49 L50 M74P39-S46 WeakPolarHBondContact O-CA 3.36Å; P39-S46 WeakPolarHBondContact O-CB 3.38Å; P39-S46 PolarHBondContact O-OG 2.85Å; S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.26Å; S46-L48 VanDerWaalsContact O-N 3.14Å; S46-S49 WeakPolarHBondContact O-CA 3.41Å; S46-S49 WeakPolarHBondContact O-CB 3.29Å; S46-S49 PolarHBondContact O-N 2.81Å; S46-L50 PolarHBondContact O-N 2.77Å; S46-M74 WeakPolarHBondContact CB-O 3.33Å; S46-M74 PolarHBondContact N-O 3.19Å; S46-M74 PolarHBondContact OG-N 3.27Å; S46-M74 VanDerWaalsContact OG-N 3.1Å
47L89.8Confident89.7Confident37 Ų3767.1 Ų67.119%0.19435%0.345CS..G310 helixtrans-57-34.7-171.1-61.9175.9000114I44 S49 L50 M75 I226 F227I44-L47 HydrophobicContact CG2-CB 3.82Å; I44-L47 HydrophobicContact CG2-CD1 4.03Å; I44-L47 HydrophobicContact CG2-CG 4.22Å; I44-L47 WeakPolarHBondContact O-CG 3.44Å; L47-S49 PolarHBondContact O-N 3.23Å; L47-L50 HydrophobicContact CD2-CD1 4.4Å; L47-L50 PolarHBondContact O-N 2.93Å; L47-M75 HydrophobicContact CD2-CG 4.25Å; L47-I226 HydrophobicContact CD1-CD1 4.3Å; L47-I226 HydrophobicContact CD1-CG2 4.16Å; L47-I226 HydrophobicContact CD2-CD1 3.92Å; L47-F227 HydrophobicContact CD1-CE2 3.72Å; L47-F227 HydrophobicContact CD1-CZ 3.83Å
48L89.6Confident89.9Confident121 Ų12164.8 Ų64.863%0.63434%0.337SS*.G310 helixtrans-63.4-29.3176.3-62.7-172.8000112.7L41 S46 L50L41-L48 HydrophobicContact CD1-CD1 3.46Å; L41-L48 VanDerWaalsContact CD1-CD1 3.46Å; L41-L48 HydrophobicContact CD1-CG 4.31Å; S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.26Å; S46-L48 VanDerWaalsContact O-N 3.14Å; L48-L50 VanDerWaalsContact C-N 3.27Å
49S89.6Confident90Very high49 Ų4965.7 Ų65.734%0.34334%0.341SS..G310 helixtrans-80-9.9175.5-57.80000112.8S46 L47S46-S49 WeakPolarHBondContact O-CA 3.41Å; S46-S49 WeakPolarHBondContact O-CB 3.29Å; S46-S49 PolarHBondContact O-N 2.81Å; L47-S49 PolarHBondContact O-N 3.23Å
50L89.9Confident90.2Very high29 Ų2962.5 Ų62.515%0.15232%0.32CS..G310 helixtrans-100.70.2-178.3-60-177.7000113.3L38 S46 L47 L48 S52 L59 F60 L63 L73 M75L38-L50 HydrophobicContact CD2-CD2 3.59Å; L38-L50 HydrophobicContact CD2-CG 4.46Å; S46-L50 PolarHBondContact O-N 2.77Å; L47-L50 HydrophobicContact CD2-CD1 4.4Å; L47-L50 PolarHBondContact O-N 2.93Å; L48-L50 VanDerWaalsContact C-N 3.27Å; L50-S52 PolarHBondContact O-N 3.43Å; L50-S52 VanDerWaalsContact O-N 3.13Å; L50-L59 HydrophobicContact CB-CD2 4.42Å; L50-L59 HydrophobicContact CD2-CD2 4.39Å; L50-L59 VanDerWaalsContact O-CD2 3.31Å; L50-L59 WeakPolarHBondContact O-CD2 3.44Å; L50-F60 HydrophobicContact CD2-CE1 4.06Å; L50-L63 HydrophobicContact CD2-CD1 4.13Å; L50-L73 HydrophobicContact CD1-CD1 4.26Å; L50-L73 HydrophobicContact CD1-CD2 4.2Å; L50-L73 HydrophobicContact CD2-CD2 4.14Å; L50-M75 HydrophobicContact CD1-CE 4.13Å
51R88Confident90.6Very high236 Ų23663.3 Ų63.389%0.89132%0.321SS*.  trans-68.6110.2176.3-173.4178.8-178.21780.3109.6
52S88.9Confident91.1Very high52 Ų5263 Ų6336%0.36432%0.317SS..  trans-142.9159.3179.1-171.20000111.6L50 H54L50-S52 PolarHBondContact O-N 3.43Å; L50-S52 VanDerWaalsContact O-N 3.13Å; S52-H54 PolarHBondContact OG-N 3.03Å; S52-H54 VanDerWaalsContact OG-N 3.08Å
53Q88.8Confident91.9Very high198 Ų19862.5 Ų62.593%0.92531%0.312SS*.SBendtrans-80.6-22.6165.9-65.5-177.4-4.200111.5
54H90.3Very high92.6Very high94 Ų9456.4 Ų56.444%0.43528%0.28SS..SBendtrans-75.7145.5177.2-62.5-56.6000111.3S52 V58 E62S52-H54 PolarHBondContact OG-N 3.03Å; S52-H54 VanDerWaalsContact OG-N 3.08Å; H54-V58 HydrophobicContact CB-CB 4.23Å; H54-V58 HydrophobicContact CB-CG1 4.08Å; H54-E62 IonicContact CD2-OE1 3.53Å; H54-E62 PolarHBondContact CD2-OE1 2.95Å; H54-E62 IonicContact CD2-OE2 2.66Å; H54-E62 PolarHBondContact CD2-OE2 2.8Å; H54-E62 IonicContact CG-OE1 3.38Å; H54-E62 IonicContact NE2-OE1 2.61Å
55P92.6Very high93Very high44 Ų4462.4 Ų62.429%0.28630%0.303SS..  trans-65.1156.8174.429.6-35.8000110.9H57 V58 L59 F491P55-H57 VanDerWaalsContact C-N 3.31Å; P55-H57 VanDerWaalsContact CG-CE1 3.47Å; P55-H57 WeakPolarHBondContact CG-CE1 3.16Å; P55-H57 PolarHBondContact O-N 2.91Å; P55-H57 VanDerWaalsContact O-N 3.13Å; P55-V58 HydrophobicContact CG-CB 4.19Å; P55-V58 HydrophobicContact CG-CG2 3.94Å; P55-V58 PolarHBondContact O-N 2.85Å; P55-L59 PolarHBondContact O-N 2.89Å; P55-F491 HydrophobicContact CB-CB 4.09Å; P55-F491 HydrophobicContact CB-CG 4.38Å
56P93.8Very high93.2Very high22 Ų2269.7 Ų69.714%0.14333%0.334CS..Hα-helixtrans-53.5-40.8-170-30.536.2000115.1V58 L59 F60 D221 L380 F491P56-V58 PolarHBondContact O-N 3Å; P56-L59 PolarHBondContact O-N 3.47Å; P56-F60 HydrophobicContact CB-CE2 4.18Å; P56-F60 VanDerWaalsContact O-CB 3.27Å; P56-F60 WeakPolarHBondContact O-CB 3.48Å; P56-F60 VanDerWaalsContact O-CD2 3.25Å; P56-F60 WeakPolarHBondContact O-CD2 3.47Å; P56-F60 WeakPolarHBondContact O-CG 3.37Å; P56-F60 PolarHBondContact O-N 3.39Å; P56-D221 WeakPolarHBondContact CG-OD2 3.29Å; P56-L380 HydrophobicContact CB-CD1 4.02Å; P56-F491 HydrophobicContact CB-CE1 4.21Å; P56-F491 HydrophobicContact CB-CZ 4.08Å; P56-F491 HydrophobicContact CG-CD1 4.04Å; P56-F491 HydrophobicContact CG-CE1 3.57Å; P56-F491 HydrophobicContact CG-CZ 3.95Å
57H95.4Very high93.4Very high5 Ų571.3 Ų71.32%0.02334%0.341CS..Hα-helixtrans-65.8-35.3179.957.1-87.5000113.6P55 K61 P379 L380 N406 W408 F491P55-H57 VanDerWaalsContact C-N 3.31Å; P55-H57 VanDerWaalsContact CG-CE1 3.47Å; P55-H57 WeakPolarHBondContact CG-CE1 3.16Å; P55-H57 PolarHBondContact O-N 2.91Å; P55-H57 VanDerWaalsContact O-N 3.13Å; H57-K61 PolarHBondContact O-N 3.26Å; H57-K61 VanDerWaalsContact O-N 3.16Å; H57-P379 HydrophobicContact CB-CB 3.93Å; H57-P379 HydrophobicContact CB-CG 4.46Å; H57-L380 HydrophobicContact CB-CD2 3.86Å; H57-L380 HydrophobicContact CB-CG 3.96Å; H57-N406 PolarHBondContact O-ND2 2.9Å; H57-W408 HydrophobicContact CB-CB 3.9Å; H57-W408 HydrophobicContact CB-CG 4.29Å; H57-W408 AromaticContact CD2-CD1 3.94Å; H57-W408 AromaticContact CD2-CD2 3.46Å; H57-W408 VanDerWaalsContact CD2-CD2 3.46Å; H57-W408 AromaticContact CD2-CE2 4Å; H57-W408 AromaticContact CD2-CE3 3.79Å; H57-W408 AromaticContact CD2-CG 3.49Å; H57-W408 VanDerWaalsContact CD2-CG 3.49Å; H57-F491 AromaticContact CE1-CD2 3.59Å; H57-F491 AromaticContact ND1-CD2 3.13Å; H57-F491 WeakPolarHBondContact ND1-CD2 3.43Å; H57-F491 AromaticContact ND1-CE2 3.46Å; H57-F491 WeakPolarHBondContact ND1-CE2 3.36Å
58V96.4Very high93.7Very high30 Ų3071.2 Ų71.218%0.18235%0.349CS..Hα-helixtrans-75.3-45.2174.7176.30000110.3H54 P55 P56 F60 K61 E62 W408H54-V58 HydrophobicContact CB-CB 4.23Å; H54-V58 HydrophobicContact CB-CG1 4.08Å; P55-V58 HydrophobicContact CG-CB 4.19Å; P55-V58 HydrophobicContact CG-CG2 3.94Å; P55-V58 PolarHBondContact O-N 2.85Å; P56-V58 PolarHBondContact O-N 3Å; V58-F60 VanDerWaalsContact C-N 3.3Å; V58-F60 PolarHBondContact O-N 3.42Å; V58-K61 WeakPolarHBondContact O-CA 3.44Å; V58-K61 VanDerWaalsContact O-CB 3.27Å; V58-K61 WeakPolarHBondContact O-CB 3.28Å; V58-K61 PolarHBondContact O-N 3.16Å; V58-E62 WeakPolarHBondContact O-CG 3.45Å; V58-E62 PolarHBondContact O-N 3.33Å; V58-W408 HydrophobicContact CG2-CZ2 4.49Å
59L96.3Very high94Very high19 Ų1968 Ų6810%0.09933%0.33CS..Hα-helixtrans-56.5-45.9175.4174.162.5000111.5L50 P55 P56 K61 E62 L63L50-L59 HydrophobicContact CB-CD2 4.42Å; L50-L59 HydrophobicContact CD2-CD2 4.39Å; L50-L59 VanDerWaalsContact O-CD2 3.31Å; L50-L59 WeakPolarHBondContact O-CD2 3.44Å; P55-L59 PolarHBondContact O-N 2.89Å; P56-L59 PolarHBondContact O-N 3.47Å; L59-K61 PolarHBondContact O-N 3.4Å; L59-E62 PolarHBondContact O-N 3.46Å; L59-L63 HydrophobicContact CD1-CD1 4.2Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.07Å; L59-L63 HydrophobicContact CG-CG 4.47Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 2.83Å
60F97.2Very high94.4Very high6 Ų665.9 Ų65.93%0.02632%0.315CS..Hα-helixtrans-65.8-26176.4-68.1-20.8000112.9L50 P56 V58 L63 Y71 L73 M75 I82 N84 L380L50-F60 HydrophobicContact CD2-CE1 4.06Å; P56-F60 HydrophobicContact CB-CE2 4.18Å; P56-F60 VanDerWaalsContact O-CB 3.27Å; P56-F60 WeakPolarHBondContact O-CB 3.48Å; P56-F60 VanDerWaalsContact O-CD2 3.25Å; P56-F60 WeakPolarHBondContact O-CD2 3.47Å; P56-F60 WeakPolarHBondContact O-CG 3.37Å; P56-F60 PolarHBondContact O-N 3.39Å; V58-F60 VanDerWaalsContact C-N 3.3Å; V58-F60 PolarHBondContact O-N 3.42Å; F60-L63 HydrophobicContact CD1-CD1 4.26Å; F60-Y71 WeakPolarHBondContact CA-OH 3.3Å; F60-Y71 WeakPolarHBondContact CB-OH 3.32Å; F60-Y71 PolarHBondContact O-OH 3.18Å; F60-L73 HydrophobicContact CE1-CD2 3.85Å; F60-L73 HydrophobicContact CZ-CD2 4.33Å; F60-M75 HydrophobicContact CZ-CE 4.12Å; F60-I82 HydrophobicContact CB-CG2 3.96Å; F60-I82 HydrophobicContact CD1-CG1 4.43Å; F60-I82 HydrophobicContact CD2-CD1 4.1Å; F60-I82 HydrophobicContact CD2-CG2 4.3Å; F60-I82 HydrophobicContact CE1-CD1 4.44Å; F60-I82 HydrophobicContact CE2-CD1 3.94Å; F60-I82 HydrophobicContact CG-CD1 4.46Å; F60-I82 HydrophobicContact CG-CG1 4.45Å; F60-I82 HydrophobicContact CG-CG2 4.11Å; F60-I82 HydrophobicContact CZ-CD1 4.12Å; F60-N84 PolarHBondContact O-OD1 3.27Å; F60-L380 HydrophobicContact CD2-CD1 3.86Å; F60-L380 HydrophobicContact CD2-CD2 4.02Å; F60-L380 HydrophobicContact CE2-CD1 3.71Å
61K97Very high94.8Very high48 Ų4864.5 Ų64.521%0.20931%0.308CS..Hα-helixtrans-67.5-49.4169.9-168.7-170.5178.6-164.70111.3H57 V58 L59 L63 Q64 N406 H412H57-K61 PolarHBondContact O-N 3.26Å; H57-K61 VanDerWaalsContact O-N 3.16Å; V58-K61 WeakPolarHBondContact O-CA 3.44Å; V58-K61 VanDerWaalsContact O-CB 3.27Å; V58-K61 WeakPolarHBondContact O-CB 3.28Å; V58-K61 PolarHBondContact O-N 3.16Å; L59-K61 PolarHBondContact O-N 3.4Å; K61-L63 PolarHBondContact O-N 3.39Å; K61-Q64 VanDerWaalsContact CA-NE2 3.26Å; K61-Q64 VanDerWaalsContact O-CB 3.31Å; K61-Q64 WeakPolarHBondContact O-CB 3.45Å; K61-Q64 VanDerWaalsContact O-CG 3.31Å; K61-Q64 WeakPolarHBondContact O-CG 3.33Å; K61-Q64 PolarHBondContact O-N 2.98Å; K61-Q64 PolarHBondContact O-NE2 2.89Å; K61-N406 PolarHBondContact N-ND2 3.1Å; K61-H412 VanDerWaalsContact CE-O 3.29Å; K61-H412 WeakPolarHBondContact CE-O 3.25Å; K61-H412 PolarHBondContact NZ-O 3.18Å
62E96.6Very high95.2Very high74 Ų7453.3 Ų53.335%0.34627%0.266SS..Hα-helixtrans-63.2-40.7-177.4-69.8172.3175.200113.2H54 V58 L59 Q64 K65H54-E62 IonicContact CD2-OE1 3.53Å; H54-E62 PolarHBondContact CD2-OE1 2.95Å; H54-E62 IonicContact CD2-OE2 2.66Å; H54-E62 PolarHBondContact CD2-OE2 2.8Å; H54-E62 IonicContact CG-OE1 3.38Å; H54-E62 IonicContact NE2-OE1 2.61Å; V58-E62 WeakPolarHBondContact O-CG 3.45Å; V58-E62 PolarHBondContact O-N 3.33Å; L59-E62 PolarHBondContact O-N 3.46Å; E62-Q64 PolarHBondContact O-N 3.46Å; E62-Q64 VanDerWaalsContact O-N 3.1Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 2.84Å
63L97Very high95.5Very high26 Ų2650.9 Ų50.914%0.13625%0.249CC..THydrogen-bonded Turntrans-61.1-20.6-179.7-74172000113.2L38 L50 L59 F60 K61 K65 K66 Y67 Y71L38-L63 HydrophobicContact CD2-CD1 4.15Å; L50-L63 HydrophobicContact CD2-CD1 4.13Å; L59-L63 HydrophobicContact CD1-CD1 4.2Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.07Å; L59-L63 HydrophobicContact CG-CG 4.47Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 2.83Å; F60-L63 HydrophobicContact CD1-CD1 4.26Å; K61-L63 PolarHBondContact O-N 3.39Å; L63-K65 PolarHBondContact O-N 3.24Å; L63-K66 PolarHBondContact O-N 2.86Å; L63-K66 VanDerWaalsContact O-N 3.09Å; L63-Y67 HydrophobicContact CB-CD2 4.38Å; L63-Y67 HydrophobicContact CD2-CD2 4.31Å; L63-Y67 HydrophobicContact CD2-CE2 4.03Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 3.22Å; L63-Y71 HydrophobicContact CB-CE1 4.18Å; L63-Y71 HydrophobicContact CB-CE2 4.36Å; L63-Y71 WeakPolarHBondContact CB-OH 3.5Å; L63-Y71 HydrophobicContact CD1-CE2 4.42Å
64Q96.1Very high95.7Very high20 Ų2042.9 Ų42.99%0.09321%0.212CC..Hα-helixtrans-60.9-29.6174.6-62.4166.338.100113.3K61 E62 K66 G68 Q69 Y71 N84 S409K61-Q64 VanDerWaalsContact CA-NE2 3.26Å; K61-Q64 VanDerWaalsContact O-CB 3.31Å; K61-Q64 WeakPolarHBondContact O-CB 3.45Å; K61-Q64 VanDerWaalsContact O-CG 3.31Å; K61-Q64 WeakPolarHBondContact O-CG 3.33Å; K61-Q64 PolarHBondContact O-N 2.98Å; K61-Q64 PolarHBondContact O-NE2 2.89Å; E62-Q64 PolarHBondContact O-N 3.46Å; E62-Q64 VanDerWaalsContact O-N 3.1Å; Q64-K66 PolarHBondContact O-N 3.21Å; Q64-G68 VanDerWaalsContact CA-O 3.24Å; Q64-G68 WeakPolarHBondContact CA-O 3.41Å; Q64-G68 WeakPolarHBondContact CB-O 3.21Å; Q64-G68 VanDerWaalsContact O-CA 3.23Å; Q64-G68 WeakPolarHBondContact O-CA 3.36Å; Q64-G68 PolarHBondContact O-N 2.76Å; Q64-Q69 VanDerWaalsContact OE1-CD 3.27Å; Q64-Y71 HydrophobicContact CG-CE1 4.15Å; Q64-N84 HydrophobicContact CG-CB 3.75Å; Q64-N84 VanDerWaalsContact CG-ND2 3.33Å; Q64-N84 WeakPolarHBondContact CG-ND2 3.37Å; Q64-N84 PolarHBondContact NE2-OD1 3.45Å; Q64-S409 PolarHBondContact NE2-OG 3.48Å
65K95.4Very high95.7Very high198 Ų19839.4 Ų39.486%0.86120%0.196SC*.Hα-helixtrans-60.3-28.4177.7-65.1179.5179.7177.40111.8E62 L63E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 2.84Å; L63-K65 PolarHBondContact O-N 3.24Å
66K96.4Very high95.6Very high156 Ų15637.5 Ų37.568%0.67819%0.185SC*.Hα-helixtrans-100.3-42-179.1-176.5172.6178.8179.90113.3L63 Q64L63-K66 PolarHBondContact O-N 2.86Å; L63-K66 VanDerWaalsContact O-N 3.09Å; Q64-K66 PolarHBondContact O-N 3.21Å
67Y96.3Very high95.3Very high34 Ų3441.1 Ų41.113%0.13321%0.21CC..Hα-helixtrans-107.70.7-171.5-59.2-78.6000113.9P36 H37 L38 P39 L63P36-Y67 WeakPolarHBondContact CB-O 3.2Å; P36-Y67 WeakPolarHBondContact CG-O 3.49Å; H37-Y67 WeakPolarHBondContact O-CE1 3.24Å; L38-Y67 HydrophobicContact CD1-CD1 4.31Å; L38-Y67 HydrophobicContact CD1-CD2 3.63Å; L38-Y67 HydrophobicContact CD1-CE1 4.31Å; L38-Y67 HydrophobicContact CD1-CE2 3.62Å; L38-Y67 HydrophobicContact CD1-CG 3.99Å; L38-Y67 HydrophobicContact CG-CD2 4.38Å; L38-Y67 HydrophobicContact CG-CE2 3.86Å; P39-Y67 WeakPolarHBondContact CD-OH 3.47Å; L63-Y67 HydrophobicContact CB-CD2 4.38Å; L63-Y67 HydrophobicContact CD2-CD2 4.31Å; L63-Y67 HydrophobicContact CD2-CE2 4.03Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 3.22Å
68G96Very high95.1Very high35 Ų3543 Ų4336%0.36122%0.219SC..  trans83.8-177.4-177.800000113.8Q64 T70 Y71Q64-G68 VanDerWaalsContact CA-O 3.24Å; Q64-G68 WeakPolarHBondContact CA-O 3.41Å; Q64-G68 WeakPolarHBondContact CB-O 3.21Å; Q64-G68 VanDerWaalsContact O-CA 3.23Å; Q64-G68 WeakPolarHBondContact O-CA 3.36Å; Q64-G68 PolarHBondContact O-N 2.76Å; G68-T70 VanDerWaalsContact C-N 3.28Å; G68-T70 PolarHBondContact O-N 2.81Å; G68-Y71 WeakPolarHBondContact O-CD1 3.25Å
69Q96.4Very high95Very high53 Ų5343.3 Ų43.325%0.24822%0.217CC..SBendtrans-71.9-18.2-172.7-70.7-62.9-25.100114.6Q64 N84 Q85Q64-Q69 VanDerWaalsContact OE1-CD 3.27Å; Q69-N84 WeakPolarHBondContact O-CB 3.4Å; Q69-N84 PolarHBondContact O-N 2.8Å; Q69-Q85 HydrophobicContact CB-CB 4.03Å; Q69-Q85 HydrophobicContact CB-CG 3.95Å; Q69-Q85 VanDerWaalsContact CB-OE1 3.24Å; Q69-Q85 HydrophobicContact CG-CB 4.36Å
70T97.5Very high95Very high4 Ų442.5 Ų42.53%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-142.7119.8175.9-64.80000108.4G68 V81 I82 V83 H88 F395G68-T70 VanDerWaalsContact C-N 3.28Å; G68-T70 PolarHBondContact O-N 2.81Å; T70-V81 HydrophobicContact CG2-CG1 3.78Å; T70-I82 WeakPolarHBondContact CA-O 3.44Å; T70-V83 HydrophobicContact CG2-CG2 4.18Å; T70-H88 PolarHBondContact OG1-ND1 3.46Å; T70-F395 HydrophobicContact CG2-CD2 4.13Å; T70-F395 HydrophobicContact CG2-CE2 4.38Å
71Y97.5Very high95Very high0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-144.7164.3-17463.2-95.9000109.7P36 L38 F60 L63 Q64 G68 L73 V81 I82 N84P36-Y71 CarbonylContact O-C 3.48Å; P36-Y71 WeakPolarHBondContact O-CA 3.46Å; P36-Y71 WeakPolarHBondContact O-CB 3.26Å; L38-Y71 HydrophobicContact CD1-CD2 3.57Å; L38-Y71 HydrophobicContact CD1-CE2 3.79Å; F60-Y71 WeakPolarHBondContact CA-OH 3.3Å; F60-Y71 WeakPolarHBondContact CB-OH 3.32Å; F60-Y71 PolarHBondContact O-OH 3.18Å; L63-Y71 HydrophobicContact CB-CE1 4.18Å; L63-Y71 HydrophobicContact CB-CE2 4.36Å; L63-Y71 WeakPolarHBondContact CB-OH 3.5Å; L63-Y71 HydrophobicContact CD1-CE2 4.42Å; Q64-Y71 HydrophobicContact CG-CE1 4.15Å; G68-Y71 WeakPolarHBondContact O-CD1 3.25Å; Y71-L73 HydrophobicContact CE2-CD2 4.41Å; Y71-V81 WeakPolarHBondContact O-CA 3.48Å; Y71-I82 HydrophobicContact CD2-CB 4.36Å; Y71-I82 HydrophobicContact CD2-CG1 4.43Å; Y71-I82 HydrophobicContact CE1-CB 4.25Å; Y71-I82 HydrophobicContact CE1-CG2 4.31Å; Y71-I82 HydrophobicContact CE2-CB 3.88Å; Y71-I82 HydrophobicContact CE2-CG1 3.78Å; Y71-I82 PolarHBondContact N-O 2.81Å; Y71-I82 PolarHBondContact O-N 2.84Å; Y71-N84 WeakPolarHBondContact CE1-ND2 3.16Å
72S96.6Very high95.1Very high1 Ų140 Ų401%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-115.8158.2179.264.40000113.2P35 P36 H37 L38 V80P35-S72 PolarHBondContact O-OG 2.98Å; P36-S72 PolarHBondContact O-N 3.02Å; H37-S72 VanDerWaalsContact CA-O 3.28Å; H37-S72 WeakPolarHBondContact CA-O 3.27Å; H37-S72 VanDerWaalsContact CB-OG 3.29Å; H37-S72 WeakPolarHBondContact CB-OG 3.43Å; L38-S72 PolarHBondContact N-O 2.92Å; S72-V80 CarbonylContact C-O 3.15Å; S72-V80 WeakPolarHBondContact CA-O 3.36Å; S72-V80 WeakPolarHBondContact CB-O 3.41Å
73L95.3Very high95.2Very high1 Ų136.5 Ų36.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-147.5163.9174.461.284.5000109.3L38 L50 F60 Y71 M75 V80 I82L38-L73 HydrophobicContact CB-CB 4.24Å; L38-L73 HydrophobicContact CD1-CB 4.5Å; L38-L73 HydrophobicContact CD2-CB 4.18Å; L50-L73 HydrophobicContact CD1-CD1 4.26Å; L50-L73 HydrophobicContact CD1-CD2 4.2Å; L50-L73 HydrophobicContact CD2-CD2 4.14Å; F60-L73 HydrophobicContact CE1-CD2 3.85Å; F60-L73 HydrophobicContact CZ-CD2 4.33Å; Y71-L73 HydrophobicContact CE2-CD2 4.41Å; L73-M75 HydrophobicContact CD1-CE 3.95Å; L73-M75 HydrophobicContact CD1-CG 3.56Å; L73-M75 HydrophobicContact CD1-SD 4.31Å; L73-V80 HydrophobicContact CD1-CB 3.64Å; L73-V80 HydrophobicContact CD1-CG1 4.31Å; L73-V80 HydrophobicContact CD1-CG2 3.94Å; L73-V80 HydrophobicContact CG-CB 4.09Å; L73-V80 PolarHBondContact N-O 2.89Å; L73-V80 PolarHBondContact O-N 3.26Å; L73-V80 VanDerWaalsContact O-O 3.13Å; L73-I82 HydrophobicContact CD2-CD1 4.06Å; L73-I82 HydrophobicContact CD2-CG1 3.73Å; L73-I82 HydrophobicContact CG-CG1 4.41Å
74M93Very high95.2Very high31 Ų3135.3 Ų35.315%0.15318%0.179CC..EExtended strand (participates in β ladder)trans-109.7126.8173.8-68.9-66.7-59.800109.9F30 T40 S46 S77 H78 R79F30-M74 HydrophobicContact CZ-CG 4.39Å; F30-M74 HydrophobicContact CZ-SD 4.43Å; T40-M74 HydrophobicContact CG2-CB 4.03Å; T40-M74 HydrophobicContact CG2-CG 3.59Å; S46-M74 WeakPolarHBondContact CB-O 3.33Å; S46-M74 PolarHBondContact N-O 3.19Å; S46-M74 PolarHBondContact OG-N 3.27Å; S46-M74 VanDerWaalsContact OG-N 3.1Å; M74-S77 WeakPolarHBondContact CE-O 3.16Å; M74-H78 WeakPolarHBondContact CA-O 3.43Å; M74-R79 HydrophobicContact SD-CB 3.82Å; M74-R79 HydrophobicContact SD-CG 4.2Å
75M91.4Very high95.2Very high20 Ų2036.7 Ų36.710%0.09919%0.186CC..EExtended strand (participates in β ladder)trans-10895.5168.7-71-179173.200108.5L47 L50 F60 L73 S77 H78 V80 I226L47-M75 HydrophobicContact CD2-CG 4.25Å; L50-M75 HydrophobicContact CD1-CE 4.13Å; F60-M75 HydrophobicContact CZ-CE 4.12Å; L73-M75 HydrophobicContact CD1-CE 3.95Å; L73-M75 HydrophobicContact CD1-CG 3.56Å; L73-M75 HydrophobicContact CD1-SD 4.31Å; M75-S77 PolarHBondContact O-N 2.95Å; M75-H78 PolarHBondContact N-O 3.3Å; M75-H78 WeakPolarHBondContact O-CB 3.36Å; M75-H78 PolarHBondContact O-N 3.49Å; M75-H78 PolarHBondContact O-ND1 3.37Å; M75-V80 HydrophobicContact CB-CG2 4.26Å; M75-V80 HydrophobicContact CG-CG2 4.05Å; M75-V80 HydrophobicContact SD-CG2 4.04Å; M75-I226 HydrophobicContact CB-CG2 4.33Å
76G89.2Confident95.4Very high5 Ų528.4 Ų28.45%0.05215%0.15CC..THydrogen-bonded Turntrans62.4-122-168.800000110.9L43 I44L43-G76 CarbonylContact O-C 3.54Å; L43-G76 VanDerWaalsContact O-CA 3.26Å; L43-G76 WeakPolarHBondContact O-CA 3.41Å; I44-G76 PolarHBondContact O-N 3.46Å
77S88.5Confident95.4Very high97 Ų9725.1 Ų25.168%0.67814%0.143SC*.THydrogen-bonded Turntrans-83-10.9173.556.60000114.1M74 M75M74-S77 WeakPolarHBondContact CE-O 3.16Å; M75-S77 PolarHBondContact O-N 2.95Å
78H91.4Very high95.5Very high46 Ų4624.5 Ų24.521%0.21314%0.141CC..EExtended strand (participates in β ladder)trans-88.2124.4-172.6-52.2102.9000111.2M74 M75 R402M74-H78 WeakPolarHBondContact CA-O 3.43Å; M75-H78 PolarHBondContact N-O 3.3Å; M75-H78 WeakPolarHBondContact O-CB 3.36Å; M75-H78 PolarHBondContact O-N 3.49Å; M75-H78 PolarHBondContact O-ND1 3.37Å; H78-R402 VanDerWaalsContact CD2-CZ 3.48Å; H78-R402 PolarHBondContact CD2-NH2 3.3Å; H78-R402 VanDerWaalsContact CG-CZ 3.5Å; H78-R402 PolarHBondContact NE2-NH2 2.99Å; H78-R402 VanDerWaalsContact NE2-NH2 3.11Å
79R93.5Very high95.7Very high36 Ų3622.9 Ų22.914%0.13612%0.124CC..EExtended strand (participates in β ladder)trans-78.6129.4170.3-175.9176.7-77.4-142.8-6.6110.1S29 F30 E34 M74 T401 R402S29-R79 PolarHBondContact OG-NH2 3.27Å; F30-R79 VanDerWaalsContact CZ-NH2 3.3Å; E34-R79 IonicContact OE1-CZ 3.6Å; E34-R79 IonicContact OE1-NH1 3.78Å; E34-R79 PolarHBondContact OE1-NH1 3.06Å; E34-R79 IonicContact OE1-NH2 3.57Å; E34-R79 IonicContact OE2-CZ 3.56Å; E34-R79 IonicContact OE2-NH1 2.78Å; E34-R79 PolarHBondContact OE2-NH1 3.32Å; E34-R79 IonicContact OE2-NH2 2.75Å; E34-R79 PolarHBondContact OE2-NH2 3.37Å; M74-R79 HydrophobicContact SD-CB 3.82Å; M74-R79 HydrophobicContact SD-CG 4.2Å; R79-T401 HydrophobicContact CG-CG2 4.04Å; R79-R402 PolarHBondContact O-N 3.28Å
80V96.3Very high95.7Very high1 Ų123.2 Ų23.21%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-125.8132.4-179.7-170.70000109.8S72 L73 M75 I82 R402 I404S72-V80 CarbonylContact C-O 3.15Å; S72-V80 WeakPolarHBondContact CA-O 3.36Å; S72-V80 WeakPolarHBondContact CB-O 3.41Å; L73-V80 HydrophobicContact CD1-CB 3.64Å; L73-V80 HydrophobicContact CD1-CG1 4.31Å; L73-V80 HydrophobicContact CD1-CG2 3.94Å; L73-V80 HydrophobicContact CG-CB 4.09Å; L73-V80 PolarHBondContact N-O 2.89Å; L73-V80 PolarHBondContact O-N 3.26Å; L73-V80 VanDerWaalsContact O-O 3.13Å; M75-V80 HydrophobicContact CB-CG2 4.26Å; M75-V80 HydrophobicContact CG-CG2 4.05Å; M75-V80 HydrophobicContact SD-CG2 4.04Å; V80-I82 HydrophobicContact CG1-CD1 3.76Å; V80-R402 CarbonylContact C-O 3.32Å; V80-R402 VanDerWaalsContact CA-O 3.23Å; V80-R402 WeakPolarHBondContact CA-O 3.23Å; V80-R402 HydrophobicContact CG1-CB 4.49Å; V80-R402 HydrophobicContact CG2-CB 4.28Å; V80-I404 HydrophobicContact CG1-CD1 3.68Å; V80-I404 HydrophobicContact CG1-CG1 3.89Å
81V98Very high95.8Very high3 Ų324.3 Ų24.32%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-108124.9169.8175.60000108.3P35 T70 Y71 V83 I392 T401 R402 V403 I404P35-V81 HydrophobicContact CG-CG2 4.22Å; T70-V81 HydrophobicContact CG2-CG1 3.78Å; Y71-V81 WeakPolarHBondContact O-CA 3.48Å; V81-V83 HydrophobicContact CG1-CG2 4.01Å; V81-I392 HydrophobicContact CG1-CD1 4.29Å; V81-T401 HydrophobicContact CB-CG2 4.39Å; V81-T401 HydrophobicContact CG2-CG2 3.65Å; V81-R402 PolarHBondContact N-O 2.7Å; V81-V403 HydrophobicContact CB-CG2 4.44Å; V81-V403 CarbonylContact O-C 3.48Å; V81-V403 WeakPolarHBondContact O-CA 3.11Å; V81-I404 PolarHBondContact O-N 3.04Å
82I98.4Very high95.8Very high0 Ų024.3 Ų24.30%013%0.13CC..EExtended strand (participates in β ladder)trans-97.3128.4175.3-51.4-56.3000108.4F60 T70 Y71 L73 V80 N84 I404F60-I82 HydrophobicContact CB-CG2 3.96Å; F60-I82 HydrophobicContact CD1-CG1 4.43Å; F60-I82 HydrophobicContact CD2-CD1 4.1Å; F60-I82 HydrophobicContact CD2-CG2 4.3Å; F60-I82 HydrophobicContact CE1-CD1 4.44Å; F60-I82 HydrophobicContact CE2-CD1 3.94Å; F60-I82 HydrophobicContact CG-CD1 4.46Å; F60-I82 HydrophobicContact CG-CG1 4.45Å; F60-I82 HydrophobicContact CG-CG2 4.11Å; F60-I82 HydrophobicContact CZ-CD1 4.12Å; T70-I82 WeakPolarHBondContact CA-O 3.44Å; Y71-I82 HydrophobicContact CD2-CB 4.36Å; Y71-I82 HydrophobicContact CD2-CG1 4.43Å; Y71-I82 HydrophobicContact CE1-CB 4.25Å; Y71-I82 HydrophobicContact CE1-CG2 4.31Å; Y71-I82 HydrophobicContact CE2-CB 3.88Å; Y71-I82 HydrophobicContact CE2-CG1 3.78Å; Y71-I82 PolarHBondContact N-O 2.81Å; Y71-I82 PolarHBondContact O-N 2.84Å; L73-I82 HydrophobicContact CD2-CD1 4.06Å; L73-I82 HydrophobicContact CD2-CG1 3.73Å; L73-I82 HydrophobicContact CG-CG1 4.41Å; V80-I82 HydrophobicContact CG1-CD1 3.76Å; I82-N84 WeakPolarHBondContact CG2-ND2 3.33Å; I82-I404 HydrophobicContact CD1-CB 3.9Å; I82-I404 HydrophobicContact CD1-CD1 4.12Å; I82-I404 HydrophobicContact CD1-CG1 4.37Å
83V98.6Very high95.9Very high0 Ų024.6 Ų24.60%013%0.131CC..EExtended strand (participates in β ladder)trans-119.9117.7-176.3-178.90000109.1T70 V81 H88 A89 I92 V403 I404 I405 N406T70-V83 HydrophobicContact CG2-CG2 4.18Å; V81-V83 HydrophobicContact CG1-CG2 4.01Å; V83-H88 HydrophobicContact CG1-CB 3.53Å; V83-A89 HydrophobicContact CG1-CB 4.42Å; V83-I92 HydrophobicContact CB-CD1 4.21Å; V83-I92 HydrophobicContact CG1-CD1 3.98Å; V83-I92 HydrophobicContact CG2-CD1 3.62Å; V83-V403 HydrophobicContact CG2-CG1 3.81Å; V83-I404 PolarHBondContact N-O 2.99Å; V83-I405 HydrophobicContact CB-CG1 4.39Å; V83-N406 PolarHBondContact O-N 3Å
84N98.4Very high96Very high0 Ų029 Ų290%016%0.155CC..  trans-117.8-1.7-171.8-67.8-74.6000114.9F60 Q64 Q69 Y71 I82 N406 S409 L410F60-N84 PolarHBondContact O-OD1 3.27Å; Q64-N84 HydrophobicContact CG-CB 3.75Å; Q64-N84 VanDerWaalsContact CG-ND2 3.33Å; Q64-N84 WeakPolarHBondContact CG-ND2 3.37Å; Q64-N84 PolarHBondContact NE2-OD1 3.45Å; Q69-N84 WeakPolarHBondContact O-CB 3.4Å; Q69-N84 PolarHBondContact O-N 2.8Å; Y71-N84 WeakPolarHBondContact CE1-ND2 3.16Å; I82-N84 WeakPolarHBondContact CG2-ND2 3.33Å; N84-N406 WeakPolarHBondContact OD1-CB 3.16Å; N84-N406 PolarHBondContact OD1-ND2 3.46Å; N84-S409 PolarHBondContact O-OG 2.86Å; N84-S409 VanDerWaalsContact O-OG 3.14Å; N84-S409 WeakPolarHBondContact OD1-CB 3.33Å; N84-L410 VanDerWaalsContact C-CD1 3.47Å; N84-L410 WeakPolarHBondContact O-CD1 3.46Å
85Q96.1Very high96.2Very high50 Ų5035.7 Ų35.723%0.23418%0.183CC..SBendtrans-115142.7177.564.6179.316.900111.7Q69 V87 H88 A89Q69-Q85 HydrophobicContact CB-CB 4.03Å; Q69-Q85 HydrophobicContact CB-CG 3.95Å; Q69-Q85 VanDerWaalsContact CB-OE1 3.24Å; Q69-Q85 HydrophobicContact CG-CB 4.36Å; Q85-V87 VanDerWaalsContact C-N 3.32Å; Q85-V87 PolarHBondContact O-N 2.87Å; Q85-H88 HydrophobicContact CG-CB 3.93Å; Q85-H88 PolarHBondContact NE2-CD2 3.42Å; Q85-H88 PolarHBondContact NE2-CE1 3.37Å; Q85-H88 PolarHBondContact NE2-ND1 3.29Å; Q85-H88 PolarHBondContact NE2-NE2 2.66Å; Q85-H88 PolarHBondContact O-N 3.14Å; Q85-A89 PolarHBondContact O-N 2.85Å
86H97.7Very high96.5Very high23 Ų2336.5 Ų36.511%0.10619%0.186CC..Hα-helixtrans-66.4-30.3-17467.180.7000113.9A89 K90 L410 E416 S441H86-A89 PolarHBondContact O-N 3.2Å; H86-K90 WeakPolarHBondContact O-CB 3.46Å; H86-K90 WeakPolarHBondContact O-CG 3.4Å; H86-K90 PolarHBondContact O-N 2.73Å; H86-L410 HydrophobicContact CB-CD2 4.04Å; H86-L410 HydrophobicContact CB-CG 4.19Å; H86-E416 IonicContact CD2-OE1 2.62Å; H86-E416 PolarHBondContact CD2-OE1 3.47Å; H86-E416 IonicContact CE1-OE1 3.61Å; H86-E416 VanDerWaalsContact NE2-CD 3.3Å; H86-E416 IonicContact NE2-OE1 2.6Å; H86-E416 PolarHBondContact NE2-OE1 2.89Å; H86-E416 IonicContact NE2-OE2 3.51Å; H86-S441 PolarHBondContact CE1-OG 3.18Å; H86-S441 PolarHBondContact ND1-OG 3.23Å
87V98.1Very high96.9Very high88 Ų8836.6 Ų36.653%0.53319%0.187SC..Hα-helixtrans-60.6-50.5178.4179.50000110.7Q85 K90 E91Q85-V87 VanDerWaalsContact C-N 3.32Å; Q85-V87 PolarHBondContact O-N 2.87Å; V87-K90 PolarHBondContact O-N 2.82Å; V87-E91 PolarHBondContact O-N 3.43Å
88H98.3Very high97.3Very high21 Ų2138.8 Ų38.810%0.09718%0.184CC..Hα-helixtrans-68.3-39.9176.3-72.7-180000111.7T70 V83 Q85 K90 E91 I92 I392T70-H88 PolarHBondContact OG1-ND1 3.46Å; V83-H88 HydrophobicContact CG1-CB 3.53Å; Q85-H88 HydrophobicContact CG-CB 3.93Å; Q85-H88 PolarHBondContact NE2-CD2 3.42Å; Q85-H88 PolarHBondContact NE2-CE1 3.37Å; Q85-H88 PolarHBondContact NE2-ND1 3.29Å; Q85-H88 PolarHBondContact NE2-NE2 2.66Å; Q85-H88 PolarHBondContact O-N 3.14Å; H88-K90 VanDerWaalsContact C-N 3.33Å; H88-K90 PolarHBondContact O-N 3.32Å; H88-E91 WeakPolarHBondContact O-CB 3.23Å; H88-E91 PolarHBondContact O-N 2.84Å; H88-I92 WeakPolarHBondContact O-CD1 3.44Å; H88-I92 VanDerWaalsContact O-CG1 3.24Å; H88-I92 WeakPolarHBondContact O-CG1 3.31Å; H88-I92 PolarHBondContact O-N 2.77Å; H88-I392 HydrophobicContact CB-CG2 3.64Å
89A98.5Very high97.6Very high0 Ų039.1 Ų39.10%019%0.187CC..Hα-helixtrans-57.8-45.1176.200000111.7V83 Q85 H86 I92 L93 I405 L410V83-A89 HydrophobicContact CG1-CB 4.42Å; Q85-A89 PolarHBondContact O-N 2.85Å; H86-A89 PolarHBondContact O-N 3.2Å; A89-I92 PolarHBondContact O-N 3.39Å; A89-L93 WeakPolarHBondContact O-CB 3.13Å; A89-L93 VanDerWaalsContact O-CG 3.23Å; A89-L93 WeakPolarHBondContact O-CG 3.43Å; A89-L93 PolarHBondContact O-N 2.86Å; A89-I405 HydrophobicContact CB-CD1 4.33Å; A89-I405 HydrophobicContact CB-CG1 4.49Å; A89-I405 HydrophobicContact CB-CG2 3.85Å; A89-L410 HydrophobicContact CB-CD2 3.85Å
90K98.4Very high97.8Very high60 Ų6037.4 Ų37.426%0.26118%0.18SC..Hα-helixtrans-68.4-35.6175.7-73.1178.1-178.4172.70112.6H86 V87 H88 I92 L94 K95 S441 L444H86-K90 WeakPolarHBondContact O-CB 3.46Å; H86-K90 WeakPolarHBondContact O-CG 3.4Å; H86-K90 PolarHBondContact O-N 2.73Å; V87-K90 PolarHBondContact O-N 2.82Å; H88-K90 VanDerWaalsContact C-N 3.33Å; H88-K90 PolarHBondContact O-N 3.32Å; K90-I92 VanDerWaalsContact C-N 3.31Å; K90-I92 PolarHBondContact O-N 3.47Å; K90-L94 HydrophobicContact CB-CD1 4.41Å; K90-L94 HydrophobicContact CG-CD1 4.38Å; K90-L94 WeakPolarHBondContact O-CA 3.32Å; K90-L94 VanDerWaalsContact O-CB 3.26Å; K90-L94 WeakPolarHBondContact O-CB 3.19Å; K90-L94 PolarHBondContact O-N 2.96Å; K90-K95 PolarHBondContact O-N 3.49Å; K90-S441 WeakPolarHBondContact CE-O 3.37Å; K90-S441 PolarHBondContact NZ-O 3.43Å; K90-S441 PolarHBondContact NZ-OG 3.44Å; K90-S441 VanDerWaalsContact NZ-OG 3.09Å; K90-L444 HydrophobicContact CG-CD1 4.46Å
91E98.4Very high97.9Very high27 Ų2737.4 Ų37.413%0.12618%0.18CC..Iπ-helixtrans-58.3-46.6172.4-179.5175.7-169.100111.2V87 H88 K95 K96 G393V87-E91 PolarHBondContact O-N 3.43Å; H88-E91 WeakPolarHBondContact O-CB 3.23Å; H88-E91 PolarHBondContact O-N 2.84Å; E91-K95 HydrophobicContact CG-CB 4.42Å; E91-K95 HydrophobicContact CG-CD 4.4Å; E91-K95 WeakPolarHBondContact O-CB 3.46Å; E91-K95 PolarHBondContact O-N 3.23Å; E91-K96 HydrophobicContact CG-CD 4.05Å; E91-K96 HydrophobicContact CG-CG 4.42Å; E91-K96 WeakPolarHBondContact O-CB 3.44Å; E91-K96 PolarHBondContact O-N 2.74Å; E91-K96 VanDerWaalsContact OE1-CE 3.3Å; E91-K96 WeakPolarHBondContact OE1-CE 3.45Å; E91-K96 IonicContact OE1-NZ 3.96Å; E91-K96 PolarHBondContact OE1-NZ 2.92Å; E91-G393 PolarHBondContact OE2-N 2.78Å
92I98.3Very high97.9Very high0 Ų037.2 Ų37.20%018%0.179CC..Iπ-helixtrans-66.8-49.5-179.6-66.3152.2000111.1V83 H88 A89 K90 K96 G97 F100 I392 V403 I405V83-I92 HydrophobicContact CB-CD1 4.21Å; V83-I92 HydrophobicContact CG1-CD1 3.98Å; V83-I92 HydrophobicContact CG2-CD1 3.62Å; H88-I92 WeakPolarHBondContact O-CD1 3.44Å; H88-I92 VanDerWaalsContact O-CG1 3.24Å; H88-I92 WeakPolarHBondContact O-CG1 3.31Å; H88-I92 PolarHBondContact O-N 2.77Å; A89-I92 PolarHBondContact O-N 3.39Å; K90-I92 VanDerWaalsContact C-N 3.31Å; K90-I92 PolarHBondContact O-N 3.47Å; I92-K96 CarbonylContact O-C 3.52Å; I92-K96 VanDerWaalsContact O-C 3.32Å; I92-G97 VanDerWaalsContact O-CA 3.25Å; I92-G97 WeakPolarHBondContact O-CA 3.39Å; I92-G97 PolarHBondContact O-N 3.47Å; I92-F100 HydrophobicContact CB-CD2 4.29Å; I92-F100 HydrophobicContact CG1-CD2 4.36Å; I92-F100 HydrophobicContact CG1-CE2 4.38Å; I92-F100 HydrophobicContact CG2-CB 3.64Å; I92-F100 HydrophobicContact CG2-CD1 4.41Å; I92-F100 HydrophobicContact CG2-CD2 3.96Å; I92-F100 HydrophobicContact CG2-CG 3.77Å; I92-I392 HydrophobicContact CD1-CD1 3.76Å; I92-I392 HydrophobicContact CD1-CG1 4.19Å; I92-I392 HydrophobicContact CD1-CG2 4.06Å; I92-I392 HydrophobicContact CG1-CD1 3.87Å; I92-I392 HydrophobicContact CG1-CG1 3.88Å; I92-I392 HydrophobicContact CG1-CG2 4.29Å; I92-V403 HydrophobicContact CD1-CG1 3.82Å; I92-V403 HydrophobicContact CG2-CG1 4.43Å; I92-I405 HydrophobicContact CG2-CD1 4.24Å
93L98.2Very high97.9Very high8 Ų838.4 Ų38.44%0.04218%0.184CC..Iπ-helixtrans-79.4-38.2-170.9-65.6176.8000113.1A89 G97 F381 I405 T448 G449A89-L93 WeakPolarHBondContact O-CB 3.13Å; A89-L93 VanDerWaalsContact O-CG 3.23Å; A89-L93 WeakPolarHBondContact O-CG 3.43Å; A89-L93 PolarHBondContact O-N 2.86Å; L93-G97 WeakPolarHBondContact O-CA 3.12Å; L93-F381 HydrophobicContact CD1-CD2 4.45Å; L93-F381 HydrophobicContact CD1-CE2 4.07Å; L93-I405 HydrophobicContact CD1-CD1 3.6Å; L93-I405 HydrophobicContact CD2-CD1 3.58Å; L93-I405 HydrophobicContact CG-CD1 3.44Å; L93-I405 VanDerWaalsContact CG-CD1 3.44Å; L93-T448 HydrophobicContact CB-CG2 3.63Å; L93-T448 HydrophobicContact CD1-CG2 3.86Å; L93-T448 HydrophobicContact CG-CG2 4.42Å; L93-G449 WeakPolarHBondContact O-CA 3.27Å
94L96.7Very high97.7Very high94 Ų9439.2 Ų39.249%0.49219%0.189SC..Iπ-helixtrans-101.9-68.2-176.9-68.7166.5000111.8K90 K96 G97 T448K90-L94 HydrophobicContact CB-CD1 4.41Å; K90-L94 HydrophobicContact CG-CD1 4.38Å; K90-L94 WeakPolarHBondContact O-CA 3.32Å; K90-L94 VanDerWaalsContact O-CB 3.26Å; K90-L94 WeakPolarHBondContact O-CB 3.19Å; K90-L94 PolarHBondContact O-N 2.96Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.31Å; L94-G97 PolarHBondContact O-N 3.17Å; L94-T448 HydrophobicContact CD1-CG2 3.87Å; L94-T448 HydrophobicContact CD2-CG2 4.15Å; L94-T448 WeakPolarHBondContact CD2-OG1 3.44Å; L94-T448 HydrophobicContact CG-CG2 3.64Å
95K97.4Very high97.4Very high171 Ų17145 Ų4574%0.74321%0.211SC*.Iπ-helixtrans-62.9-40.6-169-172.2177.8178.2-177.40112.2K90 E91K90-K95 PolarHBondContact O-N 3.49Å; E91-K95 HydrophobicContact CG-CB 4.42Å; E91-K95 HydrophobicContact CG-CD 4.4Å; E91-K95 WeakPolarHBondContact O-CB 3.46Å; E91-K95 PolarHBondContact O-N 3.23Å
96K98.1Very high97.2Very high37 Ų3743.7 Ų43.716%0.16121%0.206CC..THydrogen-bonded Turntrans-115.824.6-179.5-64.7176.8173.9163.20111.6E91 I92 L94 K98 I99 F100 S391E91-K96 HydrophobicContact CG-CD 4.05Å; E91-K96 HydrophobicContact CG-CG 4.42Å; E91-K96 WeakPolarHBondContact O-CB 3.44Å; E91-K96 PolarHBondContact O-N 2.74Å; E91-K96 VanDerWaalsContact OE1-CE 3.3Å; E91-K96 WeakPolarHBondContact OE1-CE 3.45Å; E91-K96 IonicContact OE1-NZ 3.96Å; E91-K96 PolarHBondContact OE1-NZ 2.92Å; I92-K96 CarbonylContact O-C 3.52Å; I92-K96 VanDerWaalsContact O-C 3.32Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.31Å; K96-K98 VanDerWaalsContact C-N 3.29Å; K96-K98 PolarHBondContact O-N 2.78Å; K96-K98 VanDerWaalsContact O-N 3.14Å; K96-I99 HydrophobicContact CB-CD1 4.33Å; K96-I99 HydrophobicContact CG-CD1 4.41Å; K96-I99 WeakPolarHBondContact O-CB 3.39Å; K96-I99 PolarHBondContact O-N 3.35Å; K96-F100 HydrophobicContact CB-CD2 3.8Å; K96-F100 HydrophobicContact CB-CE2 3.86Å; K96-F100 HydrophobicContact CD-CE2 4.1Å; K96-F100 PolarHBondContact O-N 2.87Å; K96-F100 VanDerWaalsContact O-N 3.16Å; K96-S391 WeakPolarHBondContact CD-O 3.15Å; K96-S391 PolarHBondContact NZ-O 2.98Å; K96-S391 PolarHBondContact NZ-OG 3.49Å
97G96.9Very high97Very high7 Ų743.2 Ų43.27%0.07220%0.204CC..THydrogen-bonded Turntrans-52.6-40-173.700000114.4I92 L93 L94 I99 F100 A101I92-G97 VanDerWaalsContact O-CA 3.25Å; I92-G97 WeakPolarHBondContact O-CA 3.39Å; I92-G97 PolarHBondContact O-N 3.47Å; L93-G97 WeakPolarHBondContact O-CA 3.12Å; L94-G97 PolarHBondContact O-N 3.17Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 3.48Å; G97-F100 CarbonylContact O-C 3.5Å; G97-A101 WeakPolarHBondContact O-CA 2.95Å; G97-A101 VanDerWaalsContact O-CB 3.3Å; G97-A101 WeakPolarHBondContact O-CB 3.28Å; G97-A101 PolarHBondContact O-N 3.01Å
98K97Very high96.8Very high143 Ų14339.1 Ų39.162%0.62218%0.18SC*.THydrogen-bonded Turntrans-66.3-35.3177.8-69.2-175-180173.70112.6K96 A101 I450K96-K98 VanDerWaalsContact C-N 3.29Å; K96-K98 PolarHBondContact O-N 2.78Å; K96-K98 VanDerWaalsContact O-N 3.14Å; K98-A101 WeakPolarHBondContact O-CB 3.43Å; K98-I450 HydrophobicContact CB-CD1 4.04Å; K98-I450 HydrophobicContact CG-CD1 3.29Å
99I98.2Very high96.6Very high53 Ų5338.5 Ų38.527%0.27218%0.177SC..THydrogen-bonded Turntrans-72.8-42.5-177.5-62.6171.4000109.9K96 G97 A101 L387 A390K96-I99 HydrophobicContact CB-CD1 4.33Å; K96-I99 HydrophobicContact CG-CD1 4.41Å; K96-I99 WeakPolarHBondContact O-CB 3.39Å; K96-I99 PolarHBondContact O-N 3.35Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 3.48Å; I99-A101 VanDerWaalsContact C-N 3.3Å; I99-L387 WeakPolarHBondContact O-CB 3.47Å; I99-L387 PolarHBondContact O-N 2.73Å; I99-A390 HydrophobicContact CG2-CB 3.8Å
100F98.4Very high96.4Very high0 Ų040.1 Ų40.10%019%0.186CC..THydrogen-bonded Turntrans-94.921.7178.1-62.2-77.3000112.7I92 K96 G97 G102 H384 V385 A386 A390 I392 V397 V403I92-F100 HydrophobicContact CB-CD2 4.29Å; I92-F100 HydrophobicContact CG1-CD2 4.36Å; I92-F100 HydrophobicContact CG1-CE2 4.38Å; I92-F100 HydrophobicContact CG2-CB 3.64Å; I92-F100 HydrophobicContact CG2-CD1 4.41Å; I92-F100 HydrophobicContact CG2-CD2 3.96Å; I92-F100 HydrophobicContact CG2-CG 3.77Å; K96-F100 HydrophobicContact CB-CD2 3.8Å; K96-F100 HydrophobicContact CB-CE2 3.86Å; K96-F100 HydrophobicContact CD-CE2 4.1Å; K96-F100 PolarHBondContact O-N 2.87Å; K96-F100 VanDerWaalsContact O-N 3.16Å; G97-F100 CarbonylContact O-C 3.5Å; F100-G102 PolarHBondContact O-N 3.2Å; F100-H384 HydrophobicContact CB-CB 4.44Å; F100-H384 WeakPolarHBondContact O-CB 3.5Å; F100-H384 PolarHBondContact O-ND1 2.89Å; F100-V385 CarbonylContact C-O 3.59Å; F100-A386 HydrophobicContact CD1-CB 3.89Å; F100-A386 HydrophobicContact CE1-CB 3.71Å; F100-A390 HydrophobicContact CE2-CB 4.16Å; F100-A390 HydrophobicContact CZ-CB 3.74Å; F100-I392 HydrophobicContact CE1-CD1 4.27Å; F100-I392 HydrophobicContact CE1-CG1 4.46Å; F100-I392 HydrophobicContact CE2-CG1 4.31Å; F100-I392 HydrophobicContact CZ-CD1 4.09Å; F100-I392 HydrophobicContact CZ-CG1 3.79Å; F100-V397 HydrophobicContact CE1-CG1 4.08Å; F100-V403 HydrophobicContact CD1-CG2 3.91Å; F100-V403 HydrophobicContact CE1-CG2 3.92Å
101A98.1Very high96.3Very high0 Ų039.1 Ų39.10%018%0.183CC..  trans-75.5-8.4-179.900000112.7G97 K98 I99 Y124 L387 R451G97-A101 WeakPolarHBondContact O-CA 2.95Å; G97-A101 VanDerWaalsContact O-CB 3.3Å; G97-A101 WeakPolarHBondContact O-CB 3.28Å; G97-A101 PolarHBondContact O-N 3.01Å; K98-A101 WeakPolarHBondContact O-CB 3.43Å; I99-A101 VanDerWaalsContact C-N 3.3Å; A101-Y124 HydrophobicContact CB-CD1 4.1Å; A101-Y124 HydrophobicContact CB-CD2 3.69Å; A101-Y124 HydrophobicContact CB-CE2 4.32Å; A101-Y124 HydrophobicContact CB-CG 3.56Å; A101-L387 HydrophobicContact CB-CD1 4.37Å; A101-R451 PolarHBondContact O-NE 2.9Å; A101-R451 PolarHBondContact O-NH2 3.3Å
102G98.1Very high96.2Very high0 Ų038.8 Ų38.80%018%0.182CC..BIsolated β-bridgetrans-71.7162.7-172.600000114.1F100 D123 H384 V385F100-G102 PolarHBondContact O-N 3.2Å; G102-D123 WeakPolarHBondContact CA-OD1 3.24Å; G102-H384 CarbonylContact O-C 3.48Å; G102-H384 WeakPolarHBondContact O-CA 3.24Å; G102-V385 WeakPolarHBondContact CA-O 3.48Å; G102-V385 PolarHBondContact N-O 3.49Å; G102-V385 PolarHBondContact O-N 2.99Å
103R97.3Very high96.1Very high25 Ų2539 Ų399%0.09418%0.183CC..  trans-122.8142.5173.3-71.3-60.1-168.4-148.2-1.2111.7A120 F121 G122 D123 I382 P383 H384R103-A120 PolarHBondContact NE-O 3.46Å; R103-F121 WeakPolarHBondContact CB-O 3.27Å; R103-G122 WeakPolarHBondContact CG-O 3.26Å; R103-D123 PolarHBondContact N-OD1 2.87Å; R103-I382 PolarHBondContact NH1-O 3.46Å; R103-P383 VanDerWaalsContact CD-O 3.3Å; R103-P383 WeakPolarHBondContact CD-O 3.38Å; R103-P383 PolarHBondContact NH1-O 3.11Å; R103-H384 PolarHBondContact NH1-CD2 3.12Å; R103-H384 PolarHBondContact NH1-NE2 3.35Å
104P94.7Very high96.1Very high16 Ų1640.9 Ų40.910%0.10419%0.19CC..  trans-75.2143.6173.933.8-35.5000110.2P383 V385 R402P104-P383 WeakPolarHBondContact CD-O 3.37Å; P104-P383 HydrophobicContact CG-CB 3.96Å; P104-P383 HydrophobicContact CG-CG 4.31Å; P104-V385 HydrophobicContact CB-CG2 4.01Å; P104-V385 HydrophobicContact CG-CG2 4.48Å; P104-R402 HydrophobicContact CB-CG 4.33Å
105R91.9Very high96Very high123 Ų12340.4 Ų40.446%0.46419%0.188SC..  trans-83.6132.6165.7-64.8-71.5-58.1-102.3-13109.3D110 D115R105-D110 IonicContact CZ-OD1 3.66Å; R105-D110 IonicContact CZ-OD2 2.9Å; R105-D110 VanDerWaalsContact NE-CG 3.26Å; R105-D110 IonicContact NE-OD1 3.74Å; R105-D110 PolarHBondContact NE-OD1 3.44Å; R105-D110 IonicContact NE-OD2 3.43Å; R105-D110 PolarHBondContact NE-OD2 2.76Å; R105-D110 VanDerWaalsContact NE-OD2 3.16Å; R105-D110 IonicContact NH2-OD1 3.6Å; R105-D110 PolarHBondContact NH2-OD1 2.91Å; R105-D110 IonicContact NH2-OD2 3.28Å; R105-D110 PolarHBondContact NH2-OD2 3.27Å; R105-D115 IonicContact CZ-OD1 3.61Å; R105-D115 PolarHBondContact NH1-O 2.82Å; R105-D115 IonicContact NH2-OD1 2.6Å; R105-D115 PolarHBondContact NH2-OD1 3.43Å
106T92.4Very high95.9Very high22 Ų2233.1 Ų33.114%0.13516%0.161CC..  trans-139.1156.6176.170.30000109.7T108 T109 D110 D225T106-T108 VanDerWaalsContact C-N 3.34Å; T106-T108 PolarHBondContact O-N 2.95Å; T106-T109 PolarHBondContact N-OG1 3.38Å; T106-T109 PolarHBondContact O-N 2.88Å; T106-T109 PolarHBondContact O-OG1 3.49Å; T106-T109 VanDerWaalsContact O-OG1 3.06Å; T106-T109 WeakPolarHBondContact OG1-CB 3.38Å; T106-T109 VanDerWaalsContact OG1-CG2 3.24Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.45Å; T106-T109 PolarHBondContact OG1-N 3.47Å; T106-T109 PolarHBondContact OG1-OG1 2.97Å; T106-D110 VanDerWaalsContact O-CB 3.25Å; T106-D110 WeakPolarHBondContact O-CB 3.27Å; T106-D110 PolarHBondContact O-N 2.86Å; T106-D225 WeakPolarHBondContact CB-OD1 3.41Å; T106-D225 HydrophobicContact CG2-CB 4.39Å
107V93.6Very high95.9Very high12 Ų1233.6 Ų33.67%0.07316%0.163CC..Hα-helixtrans-62.4-45.5-175179.40000110.6D110 I111 V224 D225 P228 Q231 L238V107-D110 PolarHBondContact O-N 2.94Å; V107-I111 HydrophobicContact CG1-CD1 4.16Å; V107-I111 WeakPolarHBondContact O-CG1 3.14Å; V107-I111 PolarHBondContact O-N 3.13Å; V107-V224 VanDerWaalsContact CG2-O 3.29Å; V107-V224 WeakPolarHBondContact CG2-O 3.45Å; V107-D225 PolarHBondContact N-OD1 3.06Å; V107-P228 HydrophobicContact CG2-CB 3.94Å; V107-P228 HydrophobicContact CG2-CG 4.32Å; V107-Q231 HydrophobicContact CG1-CG 3.99Å; V107-Q231 HydrophobicContact CG2-CG 4.5Å; V107-L238 HydrophobicContact CG1-CD1 4.4Å; V107-L238 HydrophobicContact CG1-CD2 4.12Å
108T93.8Very high95.8Very high2 Ų233.7 Ų33.71%0.01216%0.162CC..Hα-helixtrans-66.8-43.3-178.7580000111.9T106 L112 V224 D225 L238 L241T106-T108 VanDerWaalsContact C-N 3.34Å; T106-T108 PolarHBondContact O-N 2.95Å; T108-L112 WeakPolarHBondContact O-CB 3.34Å; T108-L112 PolarHBondContact O-N 2.74Å; T108-L112 VanDerWaalsContact O-N 3.08Å; T108-V224 HydrophobicContact CG2-CG2 4.43Å; T108-D225 VanDerWaalsContact CG2-OD2 3.27Å; T108-D225 WeakPolarHBondContact CG2-OD2 3.4Å; T108-D225 PolarHBondContact N-OD1 3.47Å; T108-D225 VanDerWaalsContact OG1-CG 3.28Å; T108-D225 PolarHBondContact OG1-OD1 3.5Å; T108-D225 PolarHBondContact OG1-OD2 2.95Å; T108-L238 HydrophobicContact CG2-CD2 3.99Å; T108-L241 HydrophobicContact CG2-CD2 3.95Å
109T93.5Very high95.9Very high8 Ų827.4 Ų27.45%0.04914%0.135CC..Hα-helixtrans-68.2-35.3177.559.60000112.4T106 L112 T113 F121T106-T109 PolarHBondContact N-OG1 3.38Å; T106-T109 PolarHBondContact O-N 2.88Å; T106-T109 PolarHBondContact O-OG1 3.49Å; T106-T109 VanDerWaalsContact O-OG1 3.06Å; T106-T109 WeakPolarHBondContact OG1-CB 3.38Å; T106-T109 VanDerWaalsContact OG1-CG2 3.24Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.45Å; T106-T109 PolarHBondContact OG1-N 3.47Å; T106-T109 PolarHBondContact OG1-OG1 2.97Å; T109-L112 PolarHBondContact O-N 3.41Å; T109-T113 WeakPolarHBondContact O-CB 3.38Å; T109-T113 WeakPolarHBondContact O-CG2 3.44Å; T109-T113 PolarHBondContact O-N 3.01Å; T109-T113 PolarHBondContact O-OG1 3.35Å; T109-F121 HydrophobicContact CG2-CD1 3.56Å; T109-F121 HydrophobicContact CG2-CE1 3.73Å; T109-F121 HydrophobicContact CG2-CG 4Å; T109-F121 HydrophobicContact CG2-CZ 4.3Å
110D95.2Very high95.8Very high34 Ų3426 Ų2618%0.18213%0.131CC..Hα-helixtrans-66.1-40.7-179.8-71.5-0.9000111.2R105 T106 V107 R114 D115R105-D110 IonicContact CZ-OD1 3.66Å; R105-D110 IonicContact CZ-OD2 2.9Å; R105-D110 VanDerWaalsContact NE-CG 3.26Å; R105-D110 IonicContact NE-OD1 3.74Å; R105-D110 PolarHBondContact NE-OD1 3.44Å; R105-D110 IonicContact NE-OD2 3.43Å; R105-D110 PolarHBondContact NE-OD2 2.76Å; R105-D110 VanDerWaalsContact NE-OD2 3.16Å; R105-D110 IonicContact NH2-OD1 3.6Å; R105-D110 PolarHBondContact NH2-OD1 2.91Å; R105-D110 IonicContact NH2-OD2 3.28Å; R105-D110 PolarHBondContact NH2-OD2 3.27Å; T106-D110 VanDerWaalsContact O-CB 3.25Å; T106-D110 WeakPolarHBondContact O-CB 3.27Å; T106-D110 PolarHBondContact O-N 2.86Å; V107-D110 PolarHBondContact O-N 2.94Å; D110-R114 WeakPolarHBondContact O-CA 3.33Å; D110-R114 PolarHBondContact O-N 3.15Å; D110-D115 PolarHBondContact O-N 3.34Å
111I95.9Very high95.7Very high39 Ų3927.5 Ų27.520%0.214%0.138CC..Hα-helixtrans-62.6-44.5171.8-66.7165.5000110.4V107 T113 L238 L241 K242 V245V107-I111 HydrophobicContact CG1-CD1 4.16Å; V107-I111 WeakPolarHBondContact O-CG1 3.14Å; V107-I111 PolarHBondContact O-N 3.13Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 2.9Å; I111-L238 HydrophobicContact CD1-CD2 3.99Å; I111-L241 HydrophobicContact CB-CD2 4.37Å; I111-L241 HydrophobicContact CD1-CD2 4.49Å; I111-L241 HydrophobicContact CG2-CD2 4.33Å; I111-L241 HydrophobicContact CG2-CG 4.14Å; I111-K242 HydrophobicContact CD1-CG 4.22Å; I111-K242 HydrophobicContact CG2-CG 4.07Å; I111-V245 HydrophobicContact CG2-CB 4.47Å; I111-V245 HydrophobicContact CG2-CG1 4.45Å; I111-V245 HydrophobicContact CG2-CG2 4.26Å
112L96.2Very high95.6Very high21 Ų2127.6 Ų27.611%0.1114%0.139CC..Hα-helixtrans-63.9-38.6-178.2179.569.3000112.4T108 T109 F121 I214 V218 V245 R248T108-L112 WeakPolarHBondContact O-CB 3.34Å; T108-L112 PolarHBondContact O-N 2.74Å; T108-L112 VanDerWaalsContact O-N 3.08Å; T109-L112 PolarHBondContact O-N 3.41Å; L112-F121 HydrophobicContact CD2-CD2 4.39Å; L112-F121 HydrophobicContact CD2-CE2 3.88Å; L112-I214 HydrophobicContact CD1-CD1 4.13Å; L112-I214 HydrophobicContact CD1-CG2 3.6Å; L112-V218 HydrophobicContact CD2-CG1 4.21Å; L112-V218 HydrophobicContact CD2-CG2 4.29Å; L112-V245 HydrophobicContact CD1-CG2 4.2Å; L112-R248 VanDerWaalsContact O-CZ 3.24Å; L112-R248 PolarHBondContact O-NH1 2.8Å; L112-R248 PolarHBondContact O-NH2 3.47Å
113T96.8Very high95.5Very high4 Ų431.2 Ų31.23%0.02516%0.158CC..Hα-helixtrans-11711.5-162.962.70000113.7T109 I111 D115 G116 K117 D118 F121 M304T109-T113 WeakPolarHBondContact O-CB 3.38Å; T109-T113 WeakPolarHBondContact O-CG2 3.44Å; T109-T113 PolarHBondContact O-N 3.01Å; T109-T113 PolarHBondContact O-OG1 3.35Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 2.9Å; T113-D115 PolarHBondContact O-N 3.35Å; T113-G116 PolarHBondContact O-N 3.01Å; T113-G116 VanDerWaalsContact OG1-CA 3.29Å; T113-G116 WeakPolarHBondContact OG1-CA 3.28Å; T113-G116 PolarHBondContact OG1-N 3.14Å; T113-K117 PolarHBondContact O-N 3.05Å; T113-D118 VanDerWaalsContact CB-OD1 3.23Å; T113-D118 WeakPolarHBondContact CB-OD1 3.33Å; T113-D118 HydrophobicContact CG2-CB 4Å; T113-D118 VanDerWaalsContact CG2-OD1 3.28Å; T113-D118 WeakPolarHBondContact CG2-OD1 3.39Å; T113-F121 HydrophobicContact CG2-CB 4.13Å; T113-F121 HydrophobicContact CG2-CD2 3.67Å; T113-F121 HydrophobicContact CG2-CG 4.27Å; T113-M304 WeakPolarHBondContact O-CG 3.42Å
114R97Very high95.5Very high47 Ų4732.9 Ų32.918%0.17717%0.165CC..THydrogen-bonded Turntrans49.857.1-173.3-59.5-179.4-175.6-177.26110.9D110 K117 D249 D300 M304D110-R114 WeakPolarHBondContact O-CA 3.33Å; D110-R114 PolarHBondContact O-N 3.15Å; R114-K117 HydrophobicContact CB-CD 4.35Å; R114-K117 WeakPolarHBondContact O-CD 3.48Å; R114-K117 VanDerWaalsContact O-CG 3.25Å; R114-K117 WeakPolarHBondContact O-CG 3.37Å; R114-K117 PolarHBondContact O-NZ 3.37Å; R114-D249 IonicContact CZ-OD2 2.68Å; R114-D249 IonicContact NE-OD2 3.43Å; R114-D249 PolarHBondContact NE-OD2 3.32Å; R114-D249 VanDerWaalsContact NH2-CG 3.3Å; R114-D249 IonicContact NH2-OD1 3.66Å; R114-D249 IonicContact NH2-OD2 3.93Å; R114-D249 PolarHBondContact NH2-OD2 2.8Å; R114-D300 WeakPolarHBondContact CD-OD1 3.48Å; R114-D300 IonicContact CZ-OD1 3.53Å; R114-D300 IonicContact NE-OD1 2.84Å; R114-D300 IonicContact NH1-OD1 3.93Å; R114-D300 PolarHBondContact NH1-OD1 2.95Å; R114-M304 HydrophobicContact CB-CG 4.04Å; R114-M304 HydrophobicContact CB-SD 4.29Å; R114-M304 HydrophobicContact CG-CE 4.29Å; R114-M304 HydrophobicContact CG-CG 3.98Å; R114-M304 HydrophobicContact CG-SD 3.73Å
115D95.8Very high95.4Very high85 Ų8534.2 Ų34.246%0.45518%0.175SC..THydrogen-bonded Turntrans70.835.5-179.9-57.4-71.4000115.7R105 D110 T113R105-D115 IonicContact CZ-OD1 3.61Å; R105-D115 PolarHBondContact NH1-O 2.82Å; R105-D115 IonicContact NH2-OD1 2.6Å; R105-D115 PolarHBondContact NH2-OD1 3.43Å; D110-D115 PolarHBondContact O-N 3.34Å; T113-D115 PolarHBondContact O-N 3.35Å
116G95.4Very high95.5Very high17 Ų1732.5 Ų32.518%0.17518%0.179CC..THydrogen-bonded Turntrans77.137176.300000113.4T113 D118 G122T113-G116 PolarHBondContact O-N 3.01Å; T113-G116 VanDerWaalsContact OG1-CA 3.29Å; T113-G116 WeakPolarHBondContact OG1-CA 3.28Å; T113-G116 PolarHBondContact OG1-N 3.14Å; G116-D118 VanDerWaalsContact C-N 3.28Å; G116-G122 WeakPolarHBondContact O-CA 3.32Å
117K96.9Very high95.5Very high47 Ų4732 Ų3220%0.20418%0.178CC..  trans-89.28.1176.2-66.5-178.6-174.995.10113.2T113 R114 D300 M304T113-K117 PolarHBondContact O-N 3.05Å; R114-K117 HydrophobicContact CB-CD 4.35Å; R114-K117 WeakPolarHBondContact O-CD 3.48Å; R114-K117 VanDerWaalsContact O-CG 3.25Å; R114-K117 WeakPolarHBondContact O-CG 3.37Å; R114-K117 PolarHBondContact O-NZ 3.37Å; K117-D300 HydrophobicContact CD-CB 3.54Å; K117-D300 IonicContact NZ-OD2 3.66Å; K117-M304 HydrophobicContact CB-CB 4.32Å; K117-M304 HydrophobicContact CB-CG 4.31Å
118D96.7Very high95.6Very high10 Ų1032.1 Ų32.15%0.05318%0.177CC..SBendtrans-95.4-174175.772.4-50.4000112.2T113 G116 A120 F121 G122 M304 D308T113-D118 VanDerWaalsContact CB-OD1 3.23Å; T113-D118 WeakPolarHBondContact CB-OD1 3.33Å; T113-D118 HydrophobicContact CG2-CB 4Å; T113-D118 VanDerWaalsContact CG2-OD1 3.28Å; T113-D118 WeakPolarHBondContact CG2-OD1 3.39Å; G116-D118 VanDerWaalsContact C-N 3.28Å; D118-A120 PolarHBondContact OD2-N 2.88Å; D118-A120 VanDerWaalsContact OD2-N 3.16Å; D118-F121 VanDerWaalsContact OD2-CD2 3.27Å; D118-F121 WeakPolarHBondContact OD2-CD2 3.36Å; D118-F121 PolarHBondContact OD2-N 2.87Å; D118-G122 WeakPolarHBondContact O-CA 3.27Å; D118-G122 PolarHBondContact OD1-N 3.48Å; D118-G122 VanDerWaalsContact OD1-N 3.1Å; D118-M304 HydrophobicContact CB-CB 4.23Å; D118-D308 HydrophobicContact CB-CB 4.07Å
119I97.3Very high95.6Very high11 Ų1139.1 Ų39.16%0.05620%0.203CC..SBendtrans-93.7-39.3179.8-63.9178000111.4W128 H131 V135 T305 D308 I309 L454I119-W128 PolarHBondContact O-NE1 2.71Å; I119-H131 HydrophobicContact CD1-CB 4.38Å; I119-H131 HydrophobicContact CG1-CB 4.32Å; I119-V135 HydrophobicContact CD1-CB 4.26Å; I119-V135 HydrophobicContact CD1-CG2 3.66Å; I119-T305 HydrophobicContact CD1-CG2 3.88Å; I119-T305 HydrophobicContact CG1-CG2 4.36Å; I119-D308 WeakPolarHBondContact CA-OD2 3.39Å; I119-D308 VanDerWaalsContact CB-OD2 3.29Å; I119-D308 WeakPolarHBondContact CB-OD2 3.27Å; I119-D308 PolarHBondContact N-OD2 2.81Å; I119-I309 HydrophobicContact CD1-CD1 4.36Å; I119-L454 HydrophobicContact CD1-CD2 3.8Å; I119-L454 HydrophobicContact CG2-CD2 4.15Å
120A96Very high95.6Very high23 Ų2341.4 Ų41.419%0.1921%0.213CC..SBendtrans-69.9-49.4-174.200000112.7R103 D118 D308 I382R103-A120 PolarHBondContact NE-O 3.46Å; D118-A120 PolarHBondContact OD2-N 2.88Å; D118-A120 VanDerWaalsContact OD2-N 3.16Å; A120-D308 PolarHBondContact N-OD2 3.4Å; A120-I382 HydrophobicContact CB-CD1 4.06Å
121F96.4Very high95.6Very high31 Ų3140 Ų4014%0.13621%0.205CC..SBendtrans-101.3-12.6-176.6-55.2-77.2000113.6R103 T109 L112 T113 D118 I382R103-F121 WeakPolarHBondContact CB-O 3.27Å; T109-F121 HydrophobicContact CG2-CD1 3.56Å; T109-F121 HydrophobicContact CG2-CE1 3.73Å; T109-F121 HydrophobicContact CG2-CG 4Å; T109-F121 HydrophobicContact CG2-CZ 4.3Å; L112-F121 HydrophobicContact CD2-CD2 4.39Å; L112-F121 HydrophobicContact CD2-CE2 3.88Å; T113-F121 HydrophobicContact CG2-CB 4.13Å; T113-F121 HydrophobicContact CG2-CD2 3.67Å; T113-F121 HydrophobicContact CG2-CG 4.27Å; D118-F121 VanDerWaalsContact OD2-CD2 3.27Å; D118-F121 WeakPolarHBondContact OD2-CD2 3.36Å; D118-F121 PolarHBondContact OD2-N 2.87Å; F121-I382 HydrophobicContact CD1-CG2 4.09Å; F121-I382 HydrophobicContact CE1-CD1 4.22Å; F121-I382 HydrophobicContact CE1-CG1 4.47Å; F121-I382 HydrophobicContact CE1-CG2 4.09Å; F121-I382 HydrophobicContact CZ-CD1 4.43Å
122G95.8Very high95.6Very high2 Ų240 Ų402%0.02120%0.203CC..SBendtrans-61.5135.2173.300000114.4R103 G116 D118 R451R103-G122 WeakPolarHBondContact CG-O 3.26Å; G116-G122 WeakPolarHBondContact O-CA 3.32Å; D118-G122 WeakPolarHBondContact O-CA 3.27Å; D118-G122 PolarHBondContact OD1-N 3.48Å; D118-G122 VanDerWaalsContact OD1-N 3.1Å; G122-R451 PolarHBondContact O-NH1 3.13Å; G122-R451 PolarHBondContact O-NH2 3.15Å
123D96.6Very high95.4Very high76 Ų7646.7 Ų46.741%0.40623%0.231SC..  trans-70.4160.5-178.8-160.317.5000112.3G102 R103 S125 W128G102-D123 WeakPolarHBondContact CA-OD1 3.24Å; R103-D123 PolarHBondContact N-OD1 2.87Å; D123-S125 PolarHBondContact O-N 3.31Å; D123-S125 PolarHBondContact O-OG 3.44Å; D123-W128 WeakPolarHBondContact O-CB 3.4Å
124Y96.6Very high95.2Very high60 Ų6047.7 Ų47.724%0.23524%0.235CC..SBendtrans-70.6105.1-174.3-175.6-111.6000110.8A101 W128 R129 L387 I450A101-Y124 HydrophobicContact CB-CD1 4.1Å; A101-Y124 HydrophobicContact CB-CD2 3.69Å; A101-Y124 HydrophobicContact CB-CE2 4.32Å; A101-Y124 HydrophobicContact CB-CG 3.56Å; Y124-W128 AromaticContact CD2-CE3 3.66Å; Y124-W128 HydrophobicContact CD2-CE3 3.66Å; Y124-W128 AromaticContact CD2-CZ3 3.67Å; Y124-W128 HydrophobicContact CD2-CZ3 3.67Å; Y124-W128 HydrophobicContact CE2-CE3 4.03Å; Y124-W128 AromaticContact CE2-CZ3 3.75Å; Y124-W128 HydrophobicContact CE2-CZ3 3.75Å; Y124-R129 HydrophobicContact CE2-CG 4Å; Y124-L387 HydrophobicContact CD1-CD1 4.04Å; Y124-L387 HydrophobicContact CG-CD1 4.42Å; Y124-I450 HydrophobicContact CD2-CG2 4.32Å; Y124-I450 HydrophobicContact CE2-CG2 3.87Å
125S94.6Very high95Very high44 Ų4445.5 Ų45.531%0.30823%0.227SC..SBendtrans-142.2165-174.664.30000111.7D123 A127 W128 R129D123-S125 PolarHBondContact O-N 3.31Å; D123-S125 PolarHBondContact O-OG 3.44Å; S125-A127 VanDerWaalsContact C-N 3.28Å; S125-A127 PolarHBondContact O-N 3.42Å; S125-W128 PolarHBondContact O-N 3.27Å; S125-W128 WeakPolarHBondContact OG-CB 3.26Å; S125-W128 PolarHBondContact OG-N 3.42Å; S125-R129 WeakPolarHBondContact O-CG 3.49Å; S125-R129 PolarHBondContact O-N 3.43Å
126P93Very high94.7Very high87 Ų8746.5 Ų46.557%0.56523%0.229SC*.Hα-helixtrans-54.5-43.7169.3-25.935.8000112.5R129 F130P126-R129 PolarHBondContact O-N 2.72Å; P126-F130 WeakPolarHBondContact O-CB 3.29Å; P126-F130 PolarHBondContact O-N 3.11Å
127A91.8Very high94.2Very high13 Ų1346.8 Ų46.811%0.10723%0.232CC..Hα-helixtrans-57.1-51.1174.700000111.8S125 R129 F130 H131 T294 A295S125-A127 VanDerWaalsContact C-N 3.28Å; S125-A127 PolarHBondContact O-N 3.42Å; A127-R129 VanDerWaalsContact C-N 3.31Å; A127-R129 PolarHBondContact O-N 3.42Å; A127-F130 WeakPolarHBondContact O-CB 3.27Å; A127-F130 PolarHBondContact O-N 2.97Å; A127-H131 PolarHBondContact O-CD2 2.95Å; A127-H131 VanDerWaalsContact O-CD2 3.27Å; A127-H131 PolarHBondContact O-N 3.27Å; A127-T294 PolarHBondContact N-O 3.16Å; A127-A295 WeakPolarHBondContact CA-O 3.34Å; A127-A295 WeakPolarHBondContact CB-O 3.32Å
128W95.8Very high93.5Very high13 Ų1344.9 Ų44.95%0.04923%0.225CC..Hα-helixtrans-56.9-43.6177.6175.382.3000112.5I119 D123 Y124 S125 F130 R132 I450 R451I119-W128 PolarHBondContact O-NE1 2.71Å; D123-W128 WeakPolarHBondContact O-CB 3.4Å; Y124-W128 AromaticContact CD2-CE3 3.66Å; Y124-W128 HydrophobicContact CD2-CE3 3.66Å; Y124-W128 AromaticContact CD2-CZ3 3.67Å; Y124-W128 HydrophobicContact CD2-CZ3 3.67Å; Y124-W128 HydrophobicContact CE2-CE3 4.03Å; Y124-W128 AromaticContact CE2-CZ3 3.75Å; Y124-W128 HydrophobicContact CE2-CZ3 3.75Å; S125-W128 PolarHBondContact O-N 3.27Å; S125-W128 WeakPolarHBondContact OG-CB 3.26Å; S125-W128 PolarHBondContact OG-N 3.42Å; W128-F130 VanDerWaalsContact C-N 3.31Å; W128-F130 PolarHBondContact O-N 2.73Å; W128-R132 VanDerWaalsContact O-CB 3.24Å; W128-R132 WeakPolarHBondContact O-CB 3.07Å; W128-R132 PolarHBondContact O-N 3.43Å; W128-I450 HydrophobicContact CH2-CG2 3.85Å; W128-I450 WeakPolarHBondContact CH2-O 3.37Å; W128-I450 HydrophobicContact CZ3-CG2 3.9Å; W128-R451 VanDerWaalsContact CZ2-CD 3.41Å; W128-R451 VanDerWaalsContact CZ2-NH1 3.3Å
129R95Very high92.7Very high149 Ų14946 Ų4656%0.56223%0.231SC*.Hα-helixtrans-63.7-38.2176.7-68.7172.163-159.3-3.2111.7Y124 S125 P126 A127 K133Y124-R129 HydrophobicContact CE2-CG 4Å; S125-R129 WeakPolarHBondContact O-CG 3.49Å; S125-R129 PolarHBondContact O-N 3.43Å; P126-R129 PolarHBondContact O-N 2.72Å; A127-R129 VanDerWaalsContact C-N 3.31Å; A127-R129 PolarHBondContact O-N 3.42Å; R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 PolarHBondContact O-N 3.42Å
130F93.8Very high91.3Very high57 Ų5748.9 Ų48.925%0.2525%0.251CS..Hα-helixtrans-67.5-52.3-179.7-174-107.2000111.7P126 A127 W128 R132 K133 I134 A278 A295 L297P126-F130 WeakPolarHBondContact O-CB 3.29Å; P126-F130 PolarHBondContact O-N 3.11Å; A127-F130 WeakPolarHBondContact O-CB 3.27Å; A127-F130 PolarHBondContact O-N 2.97Å; W128-F130 VanDerWaalsContact C-N 3.31Å; W128-F130 PolarHBondContact O-N 2.73Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.76Å; F130-K133 WeakPolarHBondContact O-CA 3.43Å; F130-K133 WeakPolarHBondContact O-CB 3.36Å; F130-K133 PolarHBondContact O-N 3.23Å; F130-I134 HydrophobicContact CD1-CD1 3.76Å; F130-I134 HydrophobicContact CE1-CD1 3.32Å; F130-I134 HydrophobicContact CE1-CG1 4.27Å; F130-I134 HydrophobicContact CZ-CD1 3.79Å; F130-I134 HydrophobicContact CZ-CG1 4.41Å; F130-I134 PolarHBondContact O-N 2.93Å; F130-A278 HydrophobicContact CE1-CB 4.22Å; F130-A278 HydrophobicContact CZ-CB 4.24Å; F130-A295 HydrophobicContact CD1-CB 4.04Å; F130-A295 HydrophobicContact CE1-CB 4.27Å; F130-A295 HydrophobicContact CG-CB 4.43Å; F130-L297 HydrophobicContact CD1-CD2 4.19Å; F130-L297 HydrophobicContact CD1-CG 4.49Å; F130-L297 HydrophobicContact CE1-CD1 3.79Å; F130-L297 HydrophobicContact CE1-CD2 3.74Å; F130-L297 HydrophobicContact CE1-CG 4.08Å; F130-L297 HydrophobicContact CZ-CD1 4.45Å
131H95.3Very high89.2Confident4 Ų454.4 Ų54.42%0.01928%0.275CS..Hα-helixtrans-58.5-43.9175.8-79.5-84.9000112I119 A127 K133 I134 V135 G296 T305I119-H131 HydrophobicContact CD1-CB 4.38Å; I119-H131 HydrophobicContact CG1-CB 4.32Å; A127-H131 PolarHBondContact O-CD2 2.95Å; A127-H131 VanDerWaalsContact O-CD2 3.27Å; A127-H131 PolarHBondContact O-N 3.27Å; H131-K133 VanDerWaalsContact C-N 3.29Å; H131-K133 PolarHBondContact O-N 2.91Å; H131-I134 PolarHBondContact O-N 3.22Å; H131-I134 VanDerWaalsContact O-N 3.14Å; H131-V135 WeakPolarHBondContact O-CG2 3.39Å; H131-V135 PolarHBondContact O-N 2.9Å; H131-G296 PolarHBondContact NE2-O 2.98Å; H131-T305 HydrophobicContact CB-CG2 4.41Å; H131-T305 PolarHBondContact ND1-OG1 2.64Å
132R94.9Very high87.1Confident40 Ų4055 Ų5515%0.15128%0.277CS..Hα-helixtrans-60.2-38.2174.8-173.9174.4170.4924.9112.5W128 F130 H136 V452 L454W128-R132 VanDerWaalsContact O-CB 3.24Å; W128-R132 WeakPolarHBondContact O-CB 3.07Å; W128-R132 PolarHBondContact O-N 3.43Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 2.76Å; R132-H136 VanDerWaalsContact O-CB 3.3Å; R132-H136 WeakPolarHBondContact O-CB 3.41Å; R132-H136 PolarHBondContact O-N 3.17Å; R132-V452 VanDerWaalsContact CZ-O 3.28Å; R132-V452 PolarHBondContact NH1-O 3.46Å; R132-V452 VanDerWaalsContact NH2-CG1 3.35Å; R132-V452 PolarHBondContact NH2-O 3.02Å; R132-L454 HydrophobicContact CG-CD1 3.85Å; R132-L454 HydrophobicContact CG-CD2 4.07Å
133K92.9Very high84.7Confident160 Ų16058 Ų5870%0.69631%0.309SS*.Hα-helixtrans-67.2-40.6174.7-175.5-176.8176.5-173.30111.6R129 F130 H131 G137R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 PolarHBondContact O-N 3.42Å; F130-K133 WeakPolarHBondContact O-CA 3.43Å; F130-K133 WeakPolarHBondContact O-CB 3.36Å; F130-K133 PolarHBondContact O-N 3.23Å; H131-K133 VanDerWaalsContact C-N 3.29Å; H131-K133 PolarHBondContact O-N 2.91Å; K133-G137 WeakPolarHBondContact O-CA 3.37Å; K133-G137 PolarHBondContact O-N 3.32Å
134I91.9Very high82.4Confident25 Ų2562.3 Ų62.313%0.12833%0.327CS..Hα-helixtrans-62.7-49.3176.3-69.1171.7000110.4F130 H131 G137 A138 L271 A274 L275 A278F130-I134 HydrophobicContact CD1-CD1 3.76Å; F130-I134 HydrophobicContact CE1-CD1 3.32Å; F130-I134 HydrophobicContact CE1-CG1 4.27Å; F130-I134 HydrophobicContact CZ-CD1 3.79Å; F130-I134 HydrophobicContact CZ-CG1 4.41Å; F130-I134 PolarHBondContact O-N 2.93Å; H131-I134 PolarHBondContact O-N 3.22Å; H131-I134 VanDerWaalsContact O-N 3.14Å; I134-G137 CarbonylContact O-C 3.42Å; I134-G137 VanDerWaalsContact O-CA 3.3Å; I134-G137 WeakPolarHBondContact O-CA 3.24Å; I134-G137 PolarHBondContact O-N 3.01Å; I134-G137 VanDerWaalsContact O-N 3.12Å; I134-A138 PolarHBondContact O-N 3.4Å; I134-L271 HydrophobicContact CG2-CD1 4.31Å; I134-A274 HydrophobicContact CG2-CB 4.22Å; I134-L275 HydrophobicContact CB-CD2 4.41Å; I134-L275 HydrophobicContact CD1-CD2 4.13Å; I134-L275 HydrophobicContact CG2-CD2 3.85Å; I134-L275 HydrophobicContact CG2-CG 4.13Å; I134-A278 HydrophobicContact CD1-CB 3.46Å; I134-A278 VanDerWaalsContact CD1-CB 3.46Å; I134-A278 HydrophobicContact CG1-CB 4.48Å
135V92.8Very high80.4Confident1 Ų159.5 Ų59.51%0.00632%0.315CS..Hα-helixtrans-63.2-45.6179.7171.80000111.3I119 H131 G137 A138 L139 L271 T305 I309 L454I119-V135 HydrophobicContact CD1-CB 4.26Å; I119-V135 HydrophobicContact CD1-CG2 3.66Å; H131-V135 WeakPolarHBondContact O-CG2 3.39Å; H131-V135 PolarHBondContact O-N 2.9Å; V135-G137 PolarHBondContact O-N 2.92Å; V135-A138 PolarHBondContact O-N 3.17Å; V135-A138 VanDerWaalsContact O-N 3.13Å; V135-L139 HydrophobicContact CG1-CD1 3.99Å; V135-L139 HydrophobicContact CG1-CG 4.35Å; V135-L139 WeakPolarHBondContact O-CG 3.23Å; V135-L139 PolarHBondContact O-N 2.93Å; V135-L271 HydrophobicContact CB-CD1 4.37Å; V135-L271 HydrophobicContact CG2-CD1 3.79Å; V135-L271 HydrophobicContact CG2-CD2 4.09Å; V135-T305 HydrophobicContact CG2-CG2 3.63Å; V135-I309 HydrophobicContact CG1-CD1 3.65Å; V135-I309 HydrophobicContact CG1-CG1 3.81Å; V135-I309 HydrophobicContact CG2-CD1 4.24Å; V135-I309 HydrophobicContact CG2-CG1 3.91Å; V135-L454 HydrophobicContact CB-CD2 3.77Å; V135-L454 HydrophobicContact CG1-CD2 3.46Å; V135-L454 VanDerWaalsContact CG1-CD2 3.46Å; V135-L454 HydrophobicContact CG1-CG 3.91Å
136H89.1Confident79Confident106 Ų10660.5 Ų60.549%0.49132%0.322SS..Hα-helixtrans-58.6-41.7173.9-174.2-75.2000110.9R132 L139 C140 L454R132-H136 VanDerWaalsContact O-CB 3.3Å; R132-H136 WeakPolarHBondContact O-CB 3.41Å; R132-H136 PolarHBondContact O-N 3.17Å; H136-L139 PolarHBondContact O-N 3.14Å; H136-C140 PolarHBondContact CE1-SG 3.37Å; H136-C140 VanDerWaalsContact O-CB 3.3Å; H136-C140 WeakPolarHBondContact O-CB 3.35Å; H136-C140 PolarHBondContact O-N 3.31Å; H136-C140 PolarHBondContact O-SG 3.05Å; H136-C140 VanDerWaalsContact O-SG 3.34Å; H136-L454 HydrophobicContact CB-CD1 4.02Å
137G84.7Confident78.3Confident23 Ų2358.5 Ų58.524%0.23731%0.313CS..Hα-helixtrans-53.7-55.4170.500000111K133 I134 V135 L139 C140 M141K133-G137 WeakPolarHBondContact O-CA 3.37Å; K133-G137 PolarHBondContact O-N 3.32Å; I134-G137 CarbonylContact O-C 3.42Å; I134-G137 VanDerWaalsContact O-CA 3.3Å; I134-G137 WeakPolarHBondContact O-CA 3.24Å; I134-G137 PolarHBondContact O-N 3.01Å; I134-G137 VanDerWaalsContact O-N 3.12Å; V135-G137 PolarHBondContact O-N 2.92Å; G137-L139 VanDerWaalsContact C-N 3.33Å; G137-L139 PolarHBondContact O-N 2.99Å; G137-C140 CarbonylContact O-C 3.55Å; G137-C140 PolarHBondContact O-N 3.14Å; G137-M141 WeakPolarHBondContact O-CA 3.33Å; G137-M141 WeakPolarHBondContact O-CB 3.31Å; G137-M141 WeakPolarHBondContact O-CG 3.31Å; G137-M141 PolarHBondContact O-N 3.38Å
138A83.5Confident77.9Confident7 Ų759 Ų596%0.05832%0.315CS..Hα-helixtrans-59.3-41.7179.300000112.2I134 V135 C140 F142 L271I134-A138 PolarHBondContact O-N 3.4Å; V135-A138 PolarHBondContact O-N 3.17Å; V135-A138 VanDerWaalsContact O-N 3.13Å; A138-C140 VanDerWaalsContact C-N 3.25Å; A138-C140 PolarHBondContact O-N 2.93Å; A138-F142 WeakPolarHBondContact O-CD2 3.34Å; A138-F142 VanDerWaalsContact O-CE2 3.22Å; A138-F142 WeakPolarHBondContact O-CE2 3.49Å; A138-L271 HydrophobicContact CB-CB 4.3Å; A138-L271 HydrophobicContact CB-CD1 3.73Å
139L78.8Confident77.6Confident35 Ų3558.7 Ų58.718%0.18332%0.315CS..Hα-helixtrans-67.1-22.3176.6-66.4173000113.4V135 H136 G137 L191 L458V135-L139 HydrophobicContact CG1-CD1 3.99Å; V135-L139 HydrophobicContact CG1-CG 4.35Å; V135-L139 WeakPolarHBondContact O-CG 3.23Å; V135-L139 PolarHBondContact O-N 2.93Å; H136-L139 PolarHBondContact O-N 3.14Å; G137-L139 VanDerWaalsContact C-N 3.33Å; G137-L139 PolarHBondContact O-N 2.99Å; L139-L191 HydrophobicContact CD2-CD1 4.42Å; L139-L458 HydrophobicContact CD2-CD2 4.36Å
140C67.4Low77.5Confident71 Ų7153 Ų5348%0.4829%0.294SS..Hα-helixtrans-109.5-26.2-178.3-69.10000115.1H136 G137 A138 F142 G143H136-C140 PolarHBondContact CE1-SG 3.37Å; H136-C140 VanDerWaalsContact O-CB 3.3Å; H136-C140 WeakPolarHBondContact O-CB 3.35Å; H136-C140 PolarHBondContact O-N 3.31Å; H136-C140 PolarHBondContact O-SG 3.05Å; H136-C140 VanDerWaalsContact O-SG 3.34Å; G137-C140 CarbonylContact O-C 3.55Å; G137-C140 PolarHBondContact O-N 3.14Å; A138-C140 VanDerWaalsContact C-N 3.25Å; A138-C140 PolarHBondContact O-N 2.93Å; C140-F142 CarbonylContact O-C 3.44Å; C140-F142 VanDerWaalsContact O-C 3.24Å; C140-F142 PolarHBondContact O-N 2.81Å; C140-F142 VanDerWaalsContact O-O 3.12Å; C140-G143 PolarHBondContact O-N 3.37Å
141M53Low77.4Confident139 Ų13957.3 Ų57.369%0.68531%0.309SS*.Hα-helixtrans-75.9-10.7-178.2-81-68.9-61.500111.9G137 G143G137-M141 WeakPolarHBondContact O-CA 3.33Å; G137-M141 WeakPolarHBondContact O-CB 3.31Å; G137-M141 WeakPolarHBondContact O-CG 3.31Å; G137-M141 PolarHBondContact O-N 3.38Å; M141-G143 PolarHBondContact O-N 2.77Å
142F52.1Low77.3Confident42 Ų4258.7 Ų58.718%0.18432%0.316CS..  trans-66.479.9145.1-55.6-69.1000105.8A138 C140 G145 S146 T148 I149 L191A138-F142 WeakPolarHBondContact O-CD2 3.34Å; A138-F142 VanDerWaalsContact O-CE2 3.22Å; A138-F142 WeakPolarHBondContact O-CE2 3.49Å; C140-F142 CarbonylContact O-C 3.44Å; C140-F142 VanDerWaalsContact O-C 3.24Å; C140-F142 PolarHBondContact O-N 2.81Å; C140-F142 VanDerWaalsContact O-O 3.12Å; F142-G145 CarbonylContact O-C 3.57Å; F142-G145 WeakPolarHBondContact O-CA 3.21Å; F142-G145 PolarHBondContact O-N 3.26Å; F142-S146 PolarHBondContact O-N 3.19Å; F142-T148 HydrophobicContact CD1-CG2 4.41Å; F142-I149 HydrophobicContact CD2-CD1 4.36Å; F142-L191 HydrophobicContact CD2-CD2 4.17Å; F142-L191 HydrophobicContact CE2-CD2 3.67Å; F142-L191 HydrophobicContact CZ-CD2 4.43Å
143G45.1Very low77.4Confident67 Ų6756.8 Ų56.869%0.69131%0.309SS*.THydrogen-bonded Turntrans-75.8-39.9-178.300000112.9C140 M141 G145C140-G143 PolarHBondContact O-N 3.37Å; M141-G143 PolarHBondContact O-N 2.77Å; G143-G145 PolarHBondContact O-N 3.1Å
144E47.3Very low77.6Confident166 Ų16649.5 Ų49.578%0.77628%0.277SS*.THydrogen-bonded Turntrans-6310.6151.5-74.7-167.8153.200112.6A147 T148E144-A147 CarbonylContact O-C 3.53Å; E144-A147 WeakPolarHBondContact O-CA 3.41Å; E144-A147 WeakPolarHBondContact O-CB 3.37Å; E144-A147 PolarHBondContact O-N 2.89Å; E144-A147 VanDerWaalsContact O-N 3.11Å; E144-T148 PolarHBondContact O-N 3.06Å
145G56.3Low77.8Confident0 Ų051 Ų510%029%0.293CS..Hα-helixtrans-126.53.7-14000000117F142 G143 I149F142-G145 CarbonylContact O-C 3.57Å; F142-G145 WeakPolarHBondContact O-CA 3.21Å; F142-G145 PolarHBondContact O-N 3.26Å; G143-G145 PolarHBondContact O-N 3.1Å; G145-I149 WeakPolarHBondContact O-CB 3.46Å; G145-I149 WeakPolarHBondContact O-CD1 3.41Å; G145-I149 WeakPolarHBondContact O-CG1 3.05Å; G145-I149 PolarHBondContact O-N 3.32Å
146S65.5Low78.1Confident65 Ų6552.1 Ų52.146%0.45530%0.299SS..Hα-helixtrans-54.9-39.4135.461.70000110.4F142 E150F142-S146 PolarHBondContact O-N 3.19Å; S146-E150 WeakPolarHBondContact O-CB 3.49Å; S146-E150 PolarHBondContact O-N 3.27Å
147A77.6Confident78.5Confident45 Ų4547.1 Ų47.137%0.37228%0.276SS..Hα-helixtrans-75.5-37.1179.500000112.4E144 R151E144-A147 CarbonylContact O-C 3.53Å; E144-A147 WeakPolarHBondContact O-CA 3.41Å; E144-A147 WeakPolarHBondContact O-CB 3.37Å; E144-A147 PolarHBondContact O-N 2.89Å; E144-A147 VanDerWaalsContact O-N 3.11Å; A147-R151 WeakPolarHBondContact O-CB 3.33Å; A147-R151 VanDerWaalsContact O-CG 3.23Å; A147-R151 WeakPolarHBondContact O-CG 3.47Å; A147-R151 PolarHBondContact O-N 2.94Å
148T83.4Confident79.1Confident25 Ų2549.6 Ų49.615%0.15328%0.281CS..Hα-helixtrans-64.3-46.3170.8-61.70000112.3F142 E144 R151 M152F142-T148 HydrophobicContact CD1-CG2 4.41Å; E144-T148 PolarHBondContact O-N 3.06Å; T148-R151 WeakPolarHBondContact O-CB 3.33Å; T148-R151 PolarHBondContact O-N 3.44Å; T148-R151 PolarHBondContact OG1-NH2 3.33Å; T148-M152 HydrophobicContact CG2-CE 4.18Å; T148-M152 WeakPolarHBondContact O-CG 3.48Å; T148-M152 PolarHBondContact O-N 2.96Å
149I88.6Confident79.7Confident6 Ų651.3 Ų51.33%0.03129%0.293CS..Hα-helixtrans-62-45.8174.3-67.5169.8000110.6F142 G145 R151 M152 I153 L191 L458 M461F142-I149 HydrophobicContact CD2-CD1 4.36Å; G145-I149 WeakPolarHBondContact O-CB 3.46Å; G145-I149 WeakPolarHBondContact O-CD1 3.41Å; G145-I149 WeakPolarHBondContact O-CG1 3.05Å; G145-I149 PolarHBondContact O-N 3.32Å; I149-R151 VanDerWaalsContact C-N 3.3Å; I149-R151 PolarHBondContact O-N 3.27Å; I149-M152 HydrophobicContact CB-CE 4.26Å; I149-M152 HydrophobicContact CG1-CE 3.79Å; I149-M152 PolarHBondContact O-N 3.48Å; I149-M152 VanDerWaalsContact O-N 3.16Å; I149-I153 HydrophobicContact CG2-CD1 3.62Å; I149-I153 HydrophobicContact CG2-CG1 4.24Å; I149-I153 VanDerWaalsContact O-CG1 3.28Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å; I149-I153 PolarHBondContact O-N 3.18Å; I149-L191 HydrophobicContact CD1-CD2 4.28Å; I149-L191 HydrophobicContact CG1-CD2 4.04Å; I149-L458 HydrophobicContact CG2-CD1 3.73Å; I149-M461 HydrophobicContact CG2-SD 3.98Å
150E93.1Very high80.5Confident29 Ų2949.7 Ų49.714%0.13629%0.285CS..Hα-helixtrans-56.8-43.2173.8175.6-179.8-173.100111.7S146 I153 C154 R354 L355 L465S146-E150 WeakPolarHBondContact O-CB 3.49Å; S146-E150 PolarHBondContact O-N 3.27Å; E150-I153 PolarHBondContact O-N 3.46Å; E150-C154 VanDerWaalsContact O-CB 3.24Å; E150-C154 WeakPolarHBondContact O-CB 3.35Å; E150-C154 PolarHBondContact O-N 3.38Å; E150-C154 PolarHBondContact O-SG 2.95Å; E150-R354 VanDerWaalsContact OE1-CA 3.27Å; E150-R354 WeakPolarHBondContact OE1-CA 3.26Å; E150-R354 VanDerWaalsContact OE1-CB 3.24Å; E150-R354 WeakPolarHBondContact OE1-CB 3.44Å; E150-R354 VanDerWaalsContact OE1-CD 3.26Å; E150-R354 WeakPolarHBondContact OE1-CD 3.24Å; E150-L355 HydrophobicContact CG-CB 4.11Å; E150-L355 PolarHBondContact OE1-N 3.43Å; E150-L465 HydrophobicContact CG-CD1 4.13Å
151R92.4Very high81.8Confident147 Ų14746.4 Ų46.456%0.55526%0.262SS*.Hα-helixtrans-61.2-44.5176.2-78.7-175.2-56.2127.8-2.4111.6A147 T148 I149 C154 A155A147-R151 WeakPolarHBondContact O-CB 3.33Å; A147-R151 VanDerWaalsContact O-CG 3.23Å; A147-R151 WeakPolarHBondContact O-CG 3.47Å; A147-R151 PolarHBondContact O-N 2.94Å; T148-R151 WeakPolarHBondContact O-CB 3.33Å; T148-R151 PolarHBondContact O-N 3.44Å; T148-R151 PolarHBondContact OG1-NH2 3.33Å; I149-R151 VanDerWaalsContact C-N 3.3Å; I149-R151 PolarHBondContact O-N 3.27Å; R151-C154 PolarHBondContact O-N 3.49Å; R151-A155 WeakPolarHBondContact O-CB 3.5Å; R151-A155 PolarHBondContact O-N 2.89Å
152M93.1Very high83.7Confident34 Ų3442 Ų4217%0.16725%0.245CC..Hα-helixtrans-61-49.2176.4-68.5-176.1-6900111.1T148 I149 C154 A155 E156 S190 L191T148-M152 HydrophobicContact CG2-CE 4.18Å; T148-M152 WeakPolarHBondContact O-CG 3.48Å; T148-M152 PolarHBondContact O-N 2.96Å; I149-M152 HydrophobicContact CB-CE 4.26Å; I149-M152 HydrophobicContact CG1-CE 3.79Å; I149-M152 PolarHBondContact O-N 3.48Å; I149-M152 VanDerWaalsContact O-N 3.16Å; M152-C154 PolarHBondContact O-N 2.88Å; M152-A155 PolarHBondContact O-N 3.39Å; M152-E156 PolarHBondContact O-N 3.39Å; M152-E156 VanDerWaalsContact O-N 3.1Å; M152-S190 VanDerWaalsContact SD-CB 3.51Å; M152-L191 HydrophobicContact CE-CD2 3.71Å; M152-L191 HydrophobicContact CE-CG 4.06Å
153I96.6Very high85.5Confident0 Ų040.5 Ų40.50%024%0.239CC..Hα-helixtrans-62.3-44.9178.6-61.1166.4000111I149 E150 A155 E156 A157 V187 L458 M461 E462 L465 F466I149-I153 HydrophobicContact CG2-CD1 3.62Å; I149-I153 HydrophobicContact CG2-CG1 4.24Å; I149-I153 VanDerWaalsContact O-CG1 3.28Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å; I149-I153 PolarHBondContact O-N 3.18Å; E150-I153 PolarHBondContact O-N 3.46Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 3.37Å; I153-E156 PolarHBondContact O-N 2.77Å; I153-A157 VanDerWaalsContact O-CB 3.27Å; I153-A157 WeakPolarHBondContact O-CB 3.37Å; I153-A157 PolarHBondContact O-N 2.97Å; I153-V187 HydrophobicContact CB-CG2 4.38Å; I153-V187 HydrophobicContact CG1-CG1 3.78Å; I153-V187 HydrophobicContact CG1-CG2 3.92Å; I153-L458 HydrophobicContact CD1-CD1 4.4Å; I153-M461 HydrophobicContact CD1-CB 3.7Å; I153-E462 HydrophobicContact CD1-CG 3.76Å; I153-E462 HydrophobicContact CG1-CG 4.04Å; I153-L465 HydrophobicContact CB-CD1 3.83Å; I153-L465 HydrophobicContact CD1-CD1 4.18Å; I153-L465 HydrophobicContact CG2-CB 3.6Å; I153-L465 HydrophobicContact CG2-CD1 3.6Å; I153-L465 HydrophobicContact CG2-CG 4.24Å; I153-F466 HydrophobicContact CG2-CE2 4.18Å; I153-F466 HydrophobicContact CG2-CZ 4.2Å
154C97.6Very high87.7Confident6 Ų637.6 Ų37.64%0.04121%0.208CC..Hα-helixtrans-64.4-37178.6-70.40000112.3E150 R151 M152 A157 Q158 W469E150-C154 VanDerWaalsContact O-CB 3.24Å; E150-C154 WeakPolarHBondContact O-CB 3.35Å; E150-C154 PolarHBondContact O-N 3.38Å; E150-C154 PolarHBondContact O-SG 2.95Å; R151-C154 PolarHBondContact O-N 3.49Å; M152-C154 PolarHBondContact O-N 2.88Å; C154-A157 PolarHBondContact O-N 3.39Å; C154-Q158 WeakPolarHBondContact O-CB 3.46Å; C154-Q158 PolarHBondContact O-N 2.9Å; C154-W469 HydrophobicContact CB-CH2 4.49Å; C154-W469 HydrophobicContact CB-CZ2 3.87Å
155A96.8Very high89.7Confident56 Ų5630.8 Ų30.846%0.46318%0.179SC..Hα-helixtrans-63.8-45.5176.500000111R151 M152 I153 Q158 S159R151-A155 WeakPolarHBondContact O-CB 3.5Å; R151-A155 PolarHBondContact O-N 2.89Å; M152-A155 PolarHBondContact O-N 3.39Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 3.37Å; A155-Q158 PolarHBondContact O-N 3.42Å; A155-S159 PolarHBondContact O-N 3.35Å
156E97.8Very high91.2Very high26 Ų2636 Ų3612%0.12120%0.203CC..Hα-helixtrans-70.7-34.7176.5-66.5-55.9143.100112.5M152 I153 Q158 S159 L160 R182 A183 N186 V187 F466M152-E156 PolarHBondContact O-N 3.39Å; M152-E156 VanDerWaalsContact O-N 3.1Å; I153-E156 PolarHBondContact O-N 2.77Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; E156-S159 PolarHBondContact O-N 3.35Å; E156-L160 WeakPolarHBondContact O-CB 3.12Å; E156-L160 PolarHBondContact O-N 3.08Å; E156-R182 IonicContact OE2-NH1 3.52Å; E156-A183 HydrophobicContact CB-CB 4.2Å; E156-N186 HydrophobicContact CG-CB 3.65Å; E156-N186 WeakPolarHBondContact OE1-CB 3.08Å; E156-N186 WeakPolarHBondContact OE2-CB 3.5Å; E156-N186 PolarHBondContact OE2-ND2 3.32Å; E156-V187 HydrophobicContact CB-CG2 4.19Å; E156-V187 HydrophobicContact CG-CG2 4.12Å; E156-F466 HydrophobicContact CB-CE1 4.33Å; E156-F466 HydrophobicContact CB-CZ 4.35Å
157A97.9Very high92.1Very high1 Ų133.6 Ų33.61%0.00819%0.187CC..Hα-helixtrans-64.4-38.7172.700000111.6I153 C154 C161 F466 W469I153-A157 VanDerWaalsContact O-CB 3.27Å; I153-A157 WeakPolarHBondContact O-CB 3.37Å; I153-A157 PolarHBondContact O-N 2.97Å; C154-A157 PolarHBondContact O-N 3.39Å; A157-C161 WeakPolarHBondContact O-CB 3.13Å; A157-C161 PolarHBondContact O-N 3.25Å; A157-C161 PolarHBondContact O-SG 3.47Å; A157-F466 HydrophobicContact CB-CD1 3.84Å; A157-F466 HydrophobicContact CB-CE1 3.96Å; A157-W469 HydrophobicContact CB-CB 4.09Å; A157-W469 HydrophobicContact CB-CD2 3.74Å; A157-W469 HydrophobicContact CB-CE3 3.96Å; A157-W469 HydrophobicContact CB-CG 3.82Å
158Q96.8Very high92.3Very high74 Ų7432.5 Ų32.535%0.34618%0.178SC..Hα-helixtrans-65-46.3173-178.958.759.800111.3C154 A155 E156 L160 C161 S162 W469 R473C154-Q158 WeakPolarHBondContact O-CB 3.46Å; C154-Q158 PolarHBondContact O-N 2.9Å; A155-Q158 PolarHBondContact O-N 3.42Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-L160 VanDerWaalsContact C-N 3.34Å; Q158-L160 PolarHBondContact O-N 3.28Å; Q158-C161 PolarHBondContact O-N 2.88Å; Q158-S162 PolarHBondContact NE2-OG 2.87Å; Q158-S162 PolarHBondContact O-N 2.85Å; Q158-S162 PolarHBondContact O-OG 3.44Å; Q158-S162 VanDerWaalsContact O-OG 3.12Å; Q158-W469 HydrophobicContact CB-CE3 4.46Å; Q158-W469 HydrophobicContact CB-CH2 3.97Å; Q158-W469 HydrophobicContact CB-CZ3 3.53Å; Q158-W469 HydrophobicContact CG-CZ3 4.25Å; Q158-W469 VanDerWaalsContact OE1-CZ3 3.23Å; Q158-R473 VanDerWaalsContact OE1-NH1 3.16Å
159S95.8Very high92.2Very high44 Ų4436.2 Ų36.231%0.30820%0.201SC..Hα-helixtrans-58.1-45.2176.31770000112A155 E156 S162 T163 R182A155-S159 PolarHBondContact O-N 3.35Å; E156-S159 PolarHBondContact O-N 3.35Å; S159-S162 PolarHBondContact O-N 2.97Å; S159-T163 PolarHBondContact O-N 2.91Å; S159-T163 VanDerWaalsContact O-N 3.09Å; S159-T163 PolarHBondContact O-OG1 3.46Å; S159-R182 PolarHBondContact OG-NH2 3.18Å
160L95.4Very high91.8Very high1 Ų142 Ų421%0.00523%0.231CC..Hα-helixtrans-59.4-51.5173.8175.561.9000111.3E156 Q158 S162 T163 V164 E179 L180 A183 F466 I470E156-L160 WeakPolarHBondContact O-CB 3.12Å; E156-L160 PolarHBondContact O-N 3.08Å; Q158-L160 VanDerWaalsContact C-N 3.34Å; Q158-L160 PolarHBondContact O-N 3.28Å; L160-S162 VanDerWaalsContact C-N 3.33Å; L160-S162 PolarHBondContact O-N 3.09Å; L160-T163 WeakPolarHBondContact O-CB 3.48Å; L160-T163 PolarHBondContact O-N 2.75Å; L160-V164 HydrophobicContact CD1-CG2 4.2Å; L160-V164 WeakPolarHBondContact O-CG2 3.24Å; L160-V164 PolarHBondContact O-N 2.96Å; L160-E179 HydrophobicContact CD1-CB 3.56Å; L160-L180 HydrophobicContact CD2-CD2 3.72Å; L160-A183 HydrophobicContact CB-CB 4.24Å; L160-A183 HydrophobicContact CD2-CB 4.36Å; L160-F466 HydrophobicContact CD2-CD1 4.26Å; L160-I470 HydrophobicContact CD2-CD1 3.97Å; L160-I470 HydrophobicContact CD2-CG1 4.3Å
161C94.9Very high90.8Very high1 Ų143.7 Ų43.71%0.00726%0.256CS..Hα-helixtrans-62.7-39-179.2-69.30000112.3A157 Q158 T163 V164 S165 F474A157-C161 WeakPolarHBondContact O-CB 3.13Å; A157-C161 PolarHBondContact O-N 3.25Å; A157-C161 PolarHBondContact O-SG 3.47Å; Q158-C161 PolarHBondContact O-N 2.88Å; C161-T163 VanDerWaalsContact C-N 3.33Å; C161-T163 PolarHBondContact O-N 3.26Å; C161-V164 PolarHBondContact O-N 3.18Å; C161-S165 WeakPolarHBondContact O-CB 3.33Å; C161-S165 PolarHBondContact O-N 2.96Å; C161-S165 PolarHBondContact O-OG 3.03Å; C161-F474 HydrophobicContact CB-CE2 4Å; C161-F474 HydrophobicContact CB-CZ 4.44Å; C161-F474 WeakPolarHBondContact O-CZ 3.31Å
162S92.9Very high89.9Confident47 Ų4741.9 Ų41.933%0.32926%0.257SS..Hα-helixtrans-59.9-45.2174.8-64.90000111.2Q158 S159 L160 V164 S165 E166Q158-S162 PolarHBondContact NE2-OG 2.87Å; Q158-S162 PolarHBondContact O-N 2.85Å; Q158-S162 PolarHBondContact O-OG 3.44Å; Q158-S162 VanDerWaalsContact O-OG 3.12Å; S159-S162 PolarHBondContact O-N 2.97Å; L160-S162 VanDerWaalsContact C-N 3.33Å; L160-S162 PolarHBondContact O-N 3.09Å; S162-V164 VanDerWaalsContact C-N 3.34Å; S162-V164 PolarHBondContact O-N 3.33Å; S162-S165 PolarHBondContact O-N 3.12Å; S162-E166 WeakPolarHBondContact O-CG 3.28Å; S162-E166 PolarHBondContact O-N 3.38Å
163T90.8Very high88.9Confident10 Ų1043 Ų436%0.06127%0.272CS..Hα-helixtrans-60.9-42.4177-600000112.1S159 L160 C161 A167 L174 E179S159-T163 PolarHBondContact O-N 2.91Å; S159-T163 VanDerWaalsContact O-N 3.09Å; S159-T163 PolarHBondContact O-OG1 3.46Å; L160-T163 WeakPolarHBondContact O-CB 3.48Å; L160-T163 PolarHBondContact O-N 2.75Å; C161-T163 VanDerWaalsContact C-N 3.33Å; C161-T163 PolarHBondContact O-N 3.26Å; T163-A167 PolarHBondContact O-N 3.29Å; T163-A167 VanDerWaalsContact O-N 3.16Å; T163-L174 HydrophobicContact CG2-CD2 4.27Å; T163-E179 HydrophobicContact CG2-CG 4.14Å
164V90.5Very high87.7Confident7 Ų744.7 Ų44.74%0.04228%0.281CS..Hα-helixtrans-67.8-41.3178.1176.30000111.1L160 C161 S162 A167 A168 L174 L176 F474 A504L160-V164 HydrophobicContact CD1-CG2 4.2Å; L160-V164 WeakPolarHBondContact O-CG2 3.24Å; L160-V164 PolarHBondContact O-N 2.96Å; C161-V164 PolarHBondContact O-N 3.18Å; S162-V164 VanDerWaalsContact C-N 3.34Å; S162-V164 PolarHBondContact O-N 3.33Å; V164-A167 PolarHBondContact O-N 2.84Å; V164-A168 WeakPolarHBondContact O-CB 3.27Å; V164-A168 PolarHBondContact O-N 2.8Å; V164-L174 HydrophobicContact CG2-CD2 4.15Å; V164-L176 HydrophobicContact CG2-CD2 3.55Å; V164-F474 HydrophobicContact CB-CE1 4.3Å; V164-F474 HydrophobicContact CB-CE2 4.01Å; V164-F474 HydrophobicContact CB-CZ 3.83Å; V164-F474 HydrophobicContact CG1-CD1 3.9Å; V164-F474 HydrophobicContact CG1-CD2 4.04Å; V164-F474 HydrophobicContact CG1-CE1 3.7Å; V164-F474 HydrophobicContact CG1-CE2 3.84Å; V164-F474 HydrophobicContact CG1-CG 4.07Å; V164-F474 HydrophobicContact CG1-CZ 3.66Å; V164-A504 HydrophobicContact CG1-CB 3.39Å
165S90.1Very high86.6Confident22 Ų2247.3 Ų47.315%0.15430%0.295CS..Hα-helixtrans-60.6-46.3174.8-72.50000112C161 S162 A167 A168 T169 F474C161-S165 WeakPolarHBondContact O-CB 3.33Å; C161-S165 PolarHBondContact O-N 2.96Å; C161-S165 PolarHBondContact O-OG 3.03Å; S162-S165 PolarHBondContact O-N 3.12Å; S165-A167 PolarHBondContact O-N 2.63Å; S165-A168 PolarHBondContact O-N 3.19Å; S165-T169 WeakPolarHBondContact O-CG2 3.33Å; S165-T169 PolarHBondContact O-N 3.34Å; S165-T169 PolarHBondContact O-OG1 3.47Å; S165-F474 VanDerWaalsContact OG-CZ 3.27Å; S165-F474 WeakPolarHBondContact OG-CZ 3.48Å
166E87.8Confident86Confident111 Ų11145 Ų4552%0.51928%0.275SS..Hα-helixtrans-57.5-48.9177.3-74.7170.3-165.700111.4S162 A168 T169 L170S162-E166 WeakPolarHBondContact O-CG 3.28Å; S162-E166 PolarHBondContact O-N 3.38Å; E166-A168 VanDerWaalsContact C-N 3.31Å; E166-A168 PolarHBondContact O-N 3.09Å; E166-T169 PolarHBondContact O-N 2.67Å; E166-T169 PolarHBondContact O-OG1 3.34Å; E166-L170 WeakPolarHBondContact O-CG 3.25Å; E166-L170 PolarHBondContact O-N 3.46Å
167A83.7Confident85.2Confident13 Ų1345 Ų4511%0.10728%0.279CS..Hα-helixtrans-60.5-41.1176.900000112.2T163 V164 S165 L170 G171 L172 L174T163-A167 PolarHBondContact O-N 3.29Å; T163-A167 VanDerWaalsContact O-N 3.16Å; V164-A167 PolarHBondContact O-N 2.84Å; S165-A167 PolarHBondContact O-N 2.63Å; A167-L170 PolarHBondContact O-N 3.25Å; A167-G171 PolarHBondContact O-N 3.41Å; A167-L172 PolarHBondContact O-N 3.07Å; A167-L174 HydrophobicContact CB-CB 3.95Å; A167-L174 HydrophobicContact CB-CD2 4.11Å; A167-L174 HydrophobicContact CB-CG 4.44Å
168A82.2Confident84.7Confident23 Ų2347.1 Ų47.119%0.1929%0.292CS..Hα-helixtrans-65.3-39.917800000112.9V164 S165 E166 L170 G171 P506V164-A168 WeakPolarHBondContact O-CB 3.27Å; V164-A168 PolarHBondContact O-N 2.8Å; S165-A168 PolarHBondContact O-N 3.19Å; E166-A168 VanDerWaalsContact C-N 3.31Å; E166-A168 PolarHBondContact O-N 3.09Å; A168-L170 PolarHBondContact O-N 3.23Å; A168-G171 PolarHBondContact O-N 2.71Å; A168-P506 HydrophobicContact CB-CG 3.74Å
169T81.5Confident84.5Confident103 Ų10344.3 Ų44.363%0.63228%0.279SS*.Hα-helixtrans-62.9-29.5176.358.30000112.8S165 E166 G171S165-T169 WeakPolarHBondContact O-CG2 3.33Å; S165-T169 PolarHBondContact O-N 3.34Å; S165-T169 PolarHBondContact O-OG1 3.47Å; E166-T169 PolarHBondContact O-N 2.67Å; E166-T169 PolarHBondContact O-OG1 3.34Å; T169-G171 VanDerWaalsContact C-N 3.3Å
170L80.7Confident84.3Confident126 Ų12642.3 Ų42.366%0.6627%0.265SS*.THydrogen-bonded Turntrans-85.4-0.9175.6-62.5174.2000113E166 A167 A168 L172E166-L170 WeakPolarHBondContact O-CG 3.25Å; E166-L170 PolarHBondContact O-N 3.46Å; A167-L170 PolarHBondContact O-N 3.25Å; A168-L170 PolarHBondContact O-N 3.23Å; L170-L172 HydrophobicContact CB-CD1 3.9Å; L170-L172 HydrophobicContact CB-CG 3.87Å; L170-L172 HydrophobicContact CD1-CD1 4.04Å; L170-L172 PolarHBondContact O-N 2.6Å
171G71.6Confident84.2Confident65 Ų6542.8 Ų42.867%0.6727%0.268SS*.THydrogen-bonded Turntrans67.516.5-176.100000114.2A167 A168 T169A167-G171 PolarHBondContact O-N 3.41Å; A168-G171 PolarHBondContact O-N 2.71Å; T169-G171 VanDerWaalsContact C-N 3.3Å
172L73.9Confident84.3Confident109 Ų10943.1 Ų43.157%0.57127%0.269SS*.  trans-85.3135.1-175.7-64.2174.2000111.2A167 L170 L174A167-L172 PolarHBondContact O-N 3.07Å; L170-L172 HydrophobicContact CB-CD1 3.9Å; L170-L172 HydrophobicContact CB-CG 3.87Å; L170-L172 HydrophobicContact CD1-CD1 4.04Å; L170-L172 PolarHBondContact O-N 2.6Å; L172-L174 PolarHBondContact O-N 3.33Å
173A71.1Confident84.5Confident59 Ų5940.9 Ų40.949%0.48825%0.254SS..  trans-75.3110.2166.300000109P479A173-P479 HydrophobicContact CB-CB 4.48Å; A173-P479 HydrophobicContact CB-CG 4.48Å
174L72.4Confident84.8Confident34 Ų3440.4 Ų40.418%0.17825%0.251CS..  trans-89.6133.1178.4-177.165000110.4T163 V164 A167 L172 L176 E179T163-L174 HydrophobicContact CG2-CD2 4.27Å; V164-L174 HydrophobicContact CG2-CD2 4.15Å; A167-L174 HydrophobicContact CB-CB 3.95Å; A167-L174 HydrophobicContact CB-CD2 4.11Å; A167-L174 HydrophobicContact CB-CG 4.44Å; L172-L174 PolarHBondContact O-N 3.33Å; L174-L176 HydrophobicContact CD2-CD2 4.45Å; L174-L176 PolarHBondContact O-N 2.86Å; L174-L176 VanDerWaalsContact O-N 3.11Å; L174-E179 HydrophobicContact CD1-CG 4.47Å; L174-E179 HydrophobicContact CD2-CG 4.02Å; L174-E179 HydrophobicContact CG-CG 4.47Å
175D75Confident85.1Confident62 Ų6240.1 Ų40.133%0.33225%0.249SC..  trans-69.9106.1163-173.3-5000108.6A177 P178D175-A177 PolarHBondContact O-N 3.2Å; D175-A177 VanDerWaalsContact OD1-CB 3.26Å; D175-A177 WeakPolarHBondContact OD1-CB 3.47Å; D175-A177 PolarHBondContact OD1-N 3.17Å; D175-P178 HydrophobicContact CB-CG 4.33Å; D175-P178 VanDerWaalsContact CG-CD 3.49Å; D175-P178 VanDerWaalsContact O-CD 3.27Å; D175-P178 WeakPolarHBondContact O-CD 3.48Å; D175-P178 WeakPolarHBondContact O-CG 3.11Å; D175-P178 WeakPolarHBondContact OD1-CD 3.2Å
176L82.4Confident85.4Confident8 Ų839.1 Ų39.14%0.04224%0.242CC..Hα-helixtrans-68.2-21.9179.7-76.2175.6000112.5V164 L174 E179 L180 L476 V502V164-L176 HydrophobicContact CG2-CD2 3.55Å; L174-L176 HydrophobicContact CD2-CD2 4.45Å; L174-L176 PolarHBondContact O-N 2.86Å; L174-L176 VanDerWaalsContact O-N 3.11Å; L176-E179 PolarHBondContact O-N 3.19Å; L176-L180 HydrophobicContact CB-CD1 4.16Å; L176-L180 WeakPolarHBondContact O-CB 3.46Å; L176-L180 VanDerWaalsContact O-CG 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.01Å; L176-L476 HydrophobicContact CD1-CD2 3.97Å; L176-V502 HydrophobicContact CD1-CB 3.75Å; L176-V502 HydrophobicContact CD1-CG1 3.64Å; L176-V502 HydrophobicContact CD1-CG2 4.47Å; L176-V502 HydrophobicContact CG-CB 4.31Å
177A82.9Confident85.8Confident25 Ų2533.9 Ų33.921%0.20722%0.217CC..Hα-helixtrans-57.8-53.5-17500000113.7D175 E179 T181D175-A177 PolarHBondContact O-N 3.2Å; D175-A177 VanDerWaalsContact OD1-CB 3.26Å; D175-A177 WeakPolarHBondContact OD1-CB 3.47Å; D175-A177 PolarHBondContact OD1-N 3.17Å; A177-E179 VanDerWaalsContact C-N 3.34Å; A177-E179 PolarHBondContact O-N 3.14Å; A177-T181 WeakPolarHBondContact O-CB 3.46Å; A177-T181 PolarHBondContact O-N 3.43Å; A177-T181 PolarHBondContact O-OG1 2.75Å
178P87.1Confident86.3Confident45 Ų4533.3 Ų33.329%0.29221%0.212SC..Hα-helixtrans-63.2-38178.123.3-34.5000112.8D175 T181 R182D175-P178 HydrophobicContact CB-CG 4.33Å; D175-P178 VanDerWaalsContact CG-CD 3.49Å; D175-P178 VanDerWaalsContact O-CD 3.27Å; D175-P178 WeakPolarHBondContact O-CD 3.48Å; D175-P178 WeakPolarHBondContact O-CG 3.11Å; D175-P178 WeakPolarHBondContact OD1-CD 3.2Å; P178-T181 PolarHBondContact O-N 3.2Å; P178-R182 WeakPolarHBondContact O-CB 3.13Å; P178-R182 PolarHBondContact O-N 3.08Å
179E91.3Very high87Confident16 Ų1632.2 Ų32.28%0.07520%0.204CC..Hα-helixtrans-70.6-40.4-178.9-59.5-63.1171.300112.2L160 T163 L174 L176 A177 T181 R182 A183 R199L160-E179 HydrophobicContact CD1-CB 3.56Å; T163-E179 HydrophobicContact CG2-CG 4.14Å; L174-E179 HydrophobicContact CD1-CG 4.47Å; L174-E179 HydrophobicContact CD2-CG 4.02Å; L174-E179 HydrophobicContact CG-CG 4.47Å; L176-E179 PolarHBondContact O-N 3.19Å; A177-E179 VanDerWaalsContact C-N 3.34Å; A177-E179 PolarHBondContact O-N 3.14Å; E179-T181 VanDerWaalsContact C-N 3.34Å; E179-R182 PolarHBondContact O-N 2.98Å; E179-R182 IonicContact OE2-CZ 3.28Å; E179-R182 IonicContact OE2-NE 3.09Å; E179-R182 PolarHBondContact OE2-NE 3.38Å; E179-R182 IonicContact OE2-NH2 2.67Å; E179-A183 PolarHBondContact O-N 3.09Å; E179-R199 IonicContact OE1-CZ 3.9Å; E179-R199 IonicContact OE1-NE 3.02Å; E179-R199 PolarHBondContact OE1-NE 3.08Å; E179-R199 IonicContact OE1-NH2 2.86Å; E179-R199 PolarHBondContact OE1-NH2 3.31Å; E179-R199 IonicContact OE2-NE 3.84Å
180L92.8Very high87.6Confident2 Ų228.4 Ų28.41%0.0118%0.181CC..Hα-helixtrans-60.1-46.1170.3-76.3167.2000111L160 L176 R182 A183 V184 L321 V325 I470L160-L180 HydrophobicContact CD2-CD2 3.72Å; L176-L180 HydrophobicContact CB-CD1 4.16Å; L176-L180 WeakPolarHBondContact O-CB 3.46Å; L176-L180 VanDerWaalsContact O-CG 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.01Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 3.08Å; L180-A183 PolarHBondContact O-N 3.12Å; L180-V184 WeakPolarHBondContact O-CG2 3.31Å; L180-V184 PolarHBondContact O-N 3.04Å; L180-L321 HydrophobicContact CD2-CD1 4.24Å; L180-V325 HydrophobicContact CD1-CG2 4.35Å; L180-I470 HydrophobicContact CD2-CD1 3.83Å
181T93.5Very high88.1Confident11 Ų1122.8 Ų22.87%0.06715%0.151CC..Hα-helixtrans-62.5-39.6-179.5-470000110.6A177 P178 E179 T185 L208 V314 T318A177-T181 WeakPolarHBondContact O-CB 3.46Å; A177-T181 PolarHBondContact O-N 3.43Å; A177-T181 PolarHBondContact O-OG1 2.75Å; P178-T181 PolarHBondContact O-N 3.2Å; E179-T181 VanDerWaalsContact C-N 3.34Å; T181-T185 WeakPolarHBondContact O-CB 3.42Å; T181-T185 PolarHBondContact O-N 3.4Å; T181-T185 PolarHBondContact O-OG1 3.31Å; T181-L208 HydrophobicContact CG2-CD2 3.41Å; T181-L208 VanDerWaalsContact CG2-CD2 3.41Å; T181-V314 HydrophobicContact CG2-CG1 4Å; T181-T318 HydrophobicContact CG2-CG2 4.02Å; T181-T318 WeakPolarHBondContact OG1-CG2 3.29Å
182R95.8Very high89.2Confident8 Ų819.7 Ų19.73%0.0312%0.12CC..Hα-helixtrans-64-46.9176.6-171.8-174.959.370-2.3111.8E156 S159 P178 E179 L180 T185 N186 F204E156-R182 IonicContact OE2-NH1 3.52Å; S159-R182 PolarHBondContact OG-NH2 3.18Å; P178-R182 WeakPolarHBondContact O-CB 3.13Å; P178-R182 PolarHBondContact O-N 3.08Å; E179-R182 PolarHBondContact O-N 2.98Å; E179-R182 IonicContact OE2-CZ 3.28Å; E179-R182 IonicContact OE2-NE 3.09Å; E179-R182 PolarHBondContact OE2-NE 3.38Å; E179-R182 IonicContact OE2-NH2 2.67Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 3.08Å; R182-T185 WeakPolarHBondContact O-CB 3.2Å; R182-T185 PolarHBondContact O-N 3.34Å; R182-N186 PolarHBondContact NH1-ND2 3Å; R182-N186 PolarHBondContact O-N 2.93Å; R182-F204 VanDerWaalsContact CA-CZ 3.42Å; R182-F204 HydrophobicContact CB-CE1 3.9Å; R182-F204 HydrophobicContact CB-CE2 4.12Å; R182-F204 HydrophobicContact CB-CZ 3.53Å; R182-F204 HydrophobicContact CG-CE1 4.17Å; R182-F204 HydrophobicContact CG-CE2 4.29Å; R182-F204 HydrophobicContact CG-CZ 4.02Å
183A97.1Very high90.2Very high0 Ų015.1 Ų15.10%010%0.095CC..Hα-helixtrans-60.2-48.1-179.900000111.9E156 L160 E179 L180 N186 V187 F466E156-A183 HydrophobicContact CB-CB 4.2Å; L160-A183 HydrophobicContact CB-CB 4.24Å; L160-A183 HydrophobicContact CD2-CB 4.36Å; E179-A183 PolarHBondContact O-N 3.09Å; L180-A183 PolarHBondContact O-N 3.12Å; A183-N186 PolarHBondContact O-N 3Å; A183-V187 PolarHBondContact O-N 3.41Å; A183-F466 HydrophobicContact CB-CE1 3.69Å; A183-F466 HydrophobicContact CB-CZ 3.9Å
184V97.4Very high91.2Very high0 Ų017 Ų170%010%0.097CC..Hα-helixtrans-62.2-43.3174.41730000111.1L180 N186 V187 V188 G313 T317 L321 F466L180-V184 WeakPolarHBondContact O-CG2 3.31Å; L180-V184 PolarHBondContact O-N 3.04Å; V184-N186 VanDerWaalsContact C-N 3.3Å; V184-N186 PolarHBondContact O-N 2.92Å; V184-V187 PolarHBondContact O-N 3.44Å; V184-V188 PolarHBondContact O-N 2.99Å; V184-G313 VanDerWaalsContact CG1-O 3.29Å; V184-G313 WeakPolarHBondContact CG1-O 3.17Å; V184-T317 HydrophobicContact CG1-CG2 4.03Å; V184-T317 HydrophobicContact CG2-CG2 3.87Å; V184-L321 HydrophobicContact CG2-CD1 3.59Å; V184-F466 HydrophobicContact CG2-CD2 4.26Å; V184-F466 HydrophobicContact CG2-CE2 3.79Å; V184-F466 HydrophobicContact CG2-CZ 4.4Å
185T97.1Very high92.2Very high0 Ų016.9 Ų16.90%010%0.099CC..Hα-helixtrans-57.3-44.6177.2-62.10000111.6T181 R182 V187 V188 C189 Y197 F204 M207 F310 V314T181-T185 WeakPolarHBondContact O-CB 3.42Å; T181-T185 PolarHBondContact O-N 3.4Å; T181-T185 PolarHBondContact O-OG1 3.31Å; R182-T185 WeakPolarHBondContact O-CB 3.2Å; R182-T185 PolarHBondContact O-N 3.34Å; T185-V187 VanDerWaalsContact C-N 3.32Å; T185-V187 PolarHBondContact O-N 2.84Å; T185-V188 WeakPolarHBondContact O-CG1 3.47Å; T185-V188 PolarHBondContact O-N 2.94Å; T185-C189 WeakPolarHBondContact O-CB 3.19Å; T185-C189 PolarHBondContact O-N 3.4Å; T185-Y197 HydrophobicContact CG2-CD2 4.02Å; T185-Y197 HydrophobicContact CG2-CE2 4.29Å; T185-F204 HydrophobicContact CG2-CD2 4.07Å; T185-F204 HydrophobicContact CG2-CE2 3.94Å; T185-M207 HydrophobicContact CG2-CE 3.53Å; T185-F310 HydrophobicContact CG2-CE2 4.27Å; T185-F310 HydrophobicContact CG2-CZ 3.93Å; T185-V314 HydrophobicContact CG2-CG2 4.27Å
186N97.3Very high93.1Very high2 Ų217.3 Ų17.31%0.01111%0.107CC..Hα-helixtrans-67-33.2-178.5-77-7.6000112.7E156 R182 A183 V184 S190 Y197E156-N186 HydrophobicContact CG-CB 3.65Å; E156-N186 WeakPolarHBondContact OE1-CB 3.08Å; E156-N186 WeakPolarHBondContact OE2-CB 3.5Å; E156-N186 PolarHBondContact OE2-ND2 3.32Å; R182-N186 PolarHBondContact NH1-ND2 3Å; R182-N186 PolarHBondContact O-N 2.93Å; A183-N186 PolarHBondContact O-N 3Å; V184-N186 VanDerWaalsContact C-N 3.3Å; V184-N186 PolarHBondContact O-N 2.92Å; N186-S190 WeakPolarHBondContact O-CB 3.2Å; N186-S190 PolarHBondContact O-N 3.16Å; N186-S190 PolarHBondContact O-OG 3.48Å; N186-Y197 PolarHBondContact ND2-O 3.44Å; N186-Y197 PolarHBondContact OD1-N 3.27Å
187V95.9Very high93.7Very high0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-60.9-53.3172.8173.70000110.4I153 E156 A183 V184 T185 S190 L191 L458 E462 F466I153-V187 HydrophobicContact CB-CG2 4.38Å; I153-V187 HydrophobicContact CG1-CG1 3.78Å; I153-V187 HydrophobicContact CG1-CG2 3.92Å; E156-V187 HydrophobicContact CB-CG2 4.19Å; E156-V187 HydrophobicContact CG-CG2 4.12Å; A183-V187 PolarHBondContact O-N 3.41Å; V184-V187 PolarHBondContact O-N 3.44Å; T185-V187 VanDerWaalsContact C-N 3.32Å; T185-V187 PolarHBondContact O-N 2.84Å; V187-S190 PolarHBondContact O-N 2.96Å; V187-L191 HydrophobicContact CG1-CD1 4.31Å; V187-L191 WeakPolarHBondContact O-CG 3.35Å; V187-L191 PolarHBondContact O-N 3.36Å; V187-L191 VanDerWaalsContact O-N 3.11Å; V187-L458 HydrophobicContact CG1-CD1 4.19Å; V187-E462 HydrophobicContact CG1-CG 4.33Å; V187-F466 HydrophobicContact CG2-CZ 4.07Å
188V94.6Very high94.2Very high1 Ų119.9 Ų19.91%0.00613%0.125CC..Hα-helixtrans-72.4-30.6-179.270.10000112.7V184 T185 S190 L191 C192 I309 F310 V314V184-V188 PolarHBondContact O-N 2.99Å; T185-V188 WeakPolarHBondContact O-CG1 3.47Å; T185-V188 PolarHBondContact O-N 2.94Å; V188-S190 VanDerWaalsContact C-N 3.34Å; V188-L191 PolarHBondContact O-N 3.21Å; V188-C192 VanDerWaalsContact O-CB 3.32Å; V188-C192 WeakPolarHBondContact O-CB 3.37Å; V188-C192 PolarHBondContact O-N 3.22Å; V188-C192 PolarHBondContact O-SG 2.92Å; V188-I309 HydrophobicContact CG2-CG2 4.47Å; V188-F310 HydrophobicContact CG1-CD2 3.96Å; V188-F310 HydrophobicContact CG1-CE2 4.14Å; V188-V314 HydrophobicContact CG1-CG2 3.61Å
189C95.1Very high94.3Very high1 Ų123.7 Ų23.71%0.00713%0.134CC..Hα-helixtrans-64.4-40.4173.8-162.30000111.1T185 L191 C192 F193 N194 S195 F310T185-C189 WeakPolarHBondContact O-CB 3.19Å; T185-C189 PolarHBondContact O-N 3.4Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 2.91Å; C189-C192 PolarHBondContact O-N 2.92Å; C189-F193 CarbonylContact O-C 3.53Å; C189-F193 WeakPolarHBondContact O-CA 3.38Å; C189-F193 PolarHBondContact O-N 3.1Å; C189-N194 PolarHBondContact O-N 2.8Å; C189-S195 CarbonylContact C-O 3.44Å; C189-S195 VanDerWaalsContact CB-O 3.26Å; C189-S195 WeakPolarHBondContact CB-O 3.45Å; C189-S195 PolarHBondContact SG-O 3.47Å; C189-F310 HydrophobicContact CB-CE2 4.07Å
190S93.8Very high94.2Very high22 Ų2225.9 Ų25.915%0.15416%0.16CC..Hα-helixtrans-65-39.8174.3-58.70000111.2M152 N186 V187 V188 N194 S195M152-S190 VanDerWaalsContact SD-CB 3.51Å; N186-S190 WeakPolarHBondContact O-CB 3.2Å; N186-S190 PolarHBondContact O-N 3.16Å; N186-S190 PolarHBondContact O-OG 3.48Å; V187-S190 PolarHBondContact O-N 2.96Å; V188-S190 VanDerWaalsContact C-N 3.34Å; S190-N194 VanDerWaalsContact O-CA 3.26Å; S190-N194 WeakPolarHBondContact O-CA 3.43Å; S190-N194 PolarHBondContact O-N 3.4Å; S190-S195 PolarHBondContact N-O 3.46Å; S190-S195 VanDerWaalsContact N-O 3.07Å; S190-S195 PolarHBondContact OG-O 2.89Å
191L92.5Very high94.3Very high8 Ų827.9 Ų27.94%0.04217%0.171CC..Hα-helixtrans-67.1-36.5176.6-76.6169.8000113.9L139 F142 I149 M152 V187 V188 C189 D270 L271 L458L139-L191 HydrophobicContact CD2-CD1 4.42Å; F142-L191 HydrophobicContact CD2-CD2 4.17Å; F142-L191 HydrophobicContact CE2-CD2 3.67Å; F142-L191 HydrophobicContact CZ-CD2 4.43Å; I149-L191 HydrophobicContact CD1-CD2 4.28Å; I149-L191 HydrophobicContact CG1-CD2 4.04Å; M152-L191 HydrophobicContact CE-CD2 3.71Å; M152-L191 HydrophobicContact CE-CG 4.06Å; V187-L191 HydrophobicContact CG1-CD1 4.31Å; V187-L191 WeakPolarHBondContact O-CG 3.35Å; V187-L191 PolarHBondContact O-N 3.36Å; V187-L191 VanDerWaalsContact O-N 3.11Å; V188-L191 PolarHBondContact O-N 3.21Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 2.91Å; L191-D270 WeakPolarHBondContact O-CB 3.13Å; L191-L271 PolarHBondContact O-N 3.38Å; L191-L458 HydrophobicContact CD1-CD1 3.83Å; L191-L458 HydrophobicContact CD1-CD2 3.57Å; L191-L458 HydrophobicContact CD1-CG 4.37Å
192C94.5Very high94.3Very high0 Ų032.3 Ų32.30%020%0.2CC..Hα-helixtrans-90.7-33.4-174.7-73.70000113.7V188 C189 L272 V306V188-C192 VanDerWaalsContact O-CB 3.32Å; V188-C192 WeakPolarHBondContact O-CB 3.37Å; V188-C192 PolarHBondContact O-N 3.22Å; V188-C192 PolarHBondContact O-SG 2.92Å; C189-C192 PolarHBondContact O-N 2.92Å; C192-L272 WeakPolarHBondContact O-CB 3.42Å; C192-L272 PolarHBondContact O-N 2.84Å; C192-V306 HydrophobicContact CB-CG2 3.68Å
193F94.7Very high94.2Very high13 Ų1333.9 Ų33.96%0.05721%0.208CC..Hα-helixtrans-143.410.2-165.7-48.8-63.5000113.9C189 S195 L252 K255 D270 L272 V306 F310C189-F193 CarbonylContact O-C 3.53Å; C189-F193 WeakPolarHBondContact O-CA 3.38Å; C189-F193 PolarHBondContact O-N 3.1Å; F193-S195 PolarHBondContact O-N 2.99Å; F193-S195 PolarHBondContact O-OG 3.41Å; F193-S195 VanDerWaalsContact O-OG 3.13Å; F193-L252 HydrophobicContact CE1-CD2 4.46Å; F193-L252 HydrophobicContact CZ-CD2 3.83Å; F193-K255 HydrophobicContact CB-CD 4.45Å; F193-K255 HydrophobicContact CD1-CB 4Å; F193-K255 HydrophobicContact CD1-CG 4.29Å; F193-K255 HydrophobicContact CE1-CB 4.11Å; F193-K255 HydrophobicContact CE1-CG 4.49Å; F193-K255 HydrophobicContact CG-CD 4.45Å; F193-K255 HydrophobicContact CG-CG 4.46Å; F193-D270 VanDerWaalsContact C-OD2 3.25Å; F193-L272 HydrophobicContact CD1-CD2 4.02Å; F193-L272 HydrophobicContact CE1-CD2 4.19Å; F193-V306 HydrophobicContact CD1-CG2 4.34Å; F193-V306 HydrophobicContact CE1-CB 4.45Å; F193-V306 HydrophobicContact CE1-CG1 4.06Å; F193-V306 HydrophobicContact CE1-CG2 3.5Å; F193-V306 HydrophobicContact CZ-CG1 4.27Å; F193-V306 HydrophobicContact CZ-CG2 3.67Å; F193-F310 HydrophobicContact CD2-CD2 4.36Å; F193-F310 HydrophobicContact CE2-CB 4.49Å; F193-F310 AromaticContact CE2-CD2 3.68Å; F193-F310 HydrophobicContact CE2-CD2 3.68Å; F193-F310 HydrophobicContact CE2-CE2 4.17Å; F193-F310 HydrophobicContact CE2-CG 4.21Å
194N92.9Very high94Very high99 Ų9934.1 Ų34.153%0.52921%0.208SC..SBendtrans4540.5-177-168.546.9000113.6C189 S190 R269 D270C189-N194 PolarHBondContact O-N 2.8Å; S190-N194 VanDerWaalsContact O-CA 3.26Å; S190-N194 WeakPolarHBondContact O-CA 3.43Å; S190-N194 PolarHBondContact O-N 3.4Å; N194-R269 HydrophobicContact CB-CB 4.06Å; N194-D270 HydrophobicContact CB-CB 4.32Å; N194-D270 WeakPolarHBondContact CB-OD2 3.19Å; N194-D270 PolarHBondContact N-OD2 2.81Å
195S92.8Very high93.8Very high31 Ų3138.1 Ų38.122%0.21723%0.227CC..  trans-141.7164.8-178.450.60000111.8C189 S190 F193 K255C189-S195 CarbonylContact C-O 3.44Å; C189-S195 VanDerWaalsContact CB-O 3.26Å; C189-S195 WeakPolarHBondContact CB-O 3.45Å; C189-S195 PolarHBondContact SG-O 3.47Å; S190-S195 PolarHBondContact N-O 3.46Å; S190-S195 VanDerWaalsContact N-O 3.07Å; S190-S195 PolarHBondContact OG-O 2.89Å; F193-S195 PolarHBondContact O-N 2.99Å; F193-S195 PolarHBondContact O-OG 3.41Å; F193-S195 VanDerWaalsContact O-OG 3.13Å; S195-K255 PolarHBondContact OG-NZ 3.46Å
196S94.4Very high93.6Very high72 Ų7238.9 Ų38.950%0.50324%0.235SC..  trans-143.8159.5178.758.90000110.5
197Y94.8Very high93.5Very high21 Ų2138.8 Ų38.88%0.08224%0.235CC..PPolyproline II helixtrans-99.4135.5177.5-69.1-65.8000111.4T185 N186 D201 E203 F204T185-Y197 HydrophobicContact CG2-CD2 4.02Å; T185-Y197 HydrophobicContact CG2-CE2 4.29Å; N186-Y197 PolarHBondContact ND2-O 3.44Å; N186-Y197 PolarHBondContact OD1-N 3.27Å; Y197-D201 HydrophobicContact CD1-CB 4.2Å; Y197-E203 HydrophobicContact CE1-CB 3.84Å; Y197-E203 HydrophobicContact CE1-CG 3.97Å; Y197-E203 WeakPolarHBondContact CE1-OE1 3.36Å; Y197-E203 PolarHBondContact OH-OE1 3.02Å; Y197-F204 HydrophobicContact CD1-CB 4.09Å; Y197-F204 HydrophobicContact CD2-CB 4.16Å; Y197-F204 AromaticContact CD2-CD2 3.99Å; Y197-F204 HydrophobicContact CD2-CD2 3.99Å; Y197-F204 HydrophobicContact CG-CB 3.8Å; Y197-F204 HydrophobicContact CG-CD2 4.33Å; Y197-F204 HydrophobicContact CG-CG 4.44Å
198A93.3Very high93.3Very high65 Ų6540.7 Ų40.754%0.53724%0.244SC..PPolyproline II helixtrans-70.9160.2168.300000110.9G200 D201A198-G200 PolarHBondContact O-N 3.13Å; A198-D201 VanDerWaalsContact O-CB 3.29Å; A198-D201 WeakPolarHBondContact O-CB 3.18Å; A198-D201 PolarHBondContact O-N 3.21Å
199R89.6Confident93.2Very high126 Ų12649.3 Ų49.348%0.47528%0.277SS..THydrogen-bonded Turntrans-66.1130.2173.2-168.3179.5-172.6-159.50.7109.8E179 D201E179-R199 IonicContact OE1-CZ 3.9Å; E179-R199 IonicContact OE1-NE 3.02Å; E179-R199 PolarHBondContact OE1-NE 3.08Å; E179-R199 IonicContact OE1-NH2 2.86Å; E179-R199 PolarHBondContact OE1-NH2 3.31Å; E179-R199 IonicContact OE2-NE 3.84Å; R199-D201 VanDerWaalsContact C-N 3.33Å
200G88.4Confident93.2Very high61 Ų6150 Ų5063%0.62928%0.28SS*.THydrogen-bonded Turntrans79.112.3-177.200000114.6A198A198-G200 PolarHBondContact O-N 3.13Å
201D94.4Very high93.2Very high44 Ų4450 Ų5024%0.23528%0.279CS..  trans-63.6125.2176.3-169.2-47.5000111.3Y197 A198 R199 E203 F204 E205Y197-D201 HydrophobicContact CD1-CB 4.2Å; A198-D201 VanDerWaalsContact O-CB 3.29Å; A198-D201 WeakPolarHBondContact O-CB 3.18Å; A198-D201 PolarHBondContact O-N 3.21Å; R199-D201 VanDerWaalsContact C-N 3.33Å; D201-E203 VanDerWaalsContact C-N 3.3Å; D201-E203 PolarHBondContact O-N 2.85Å; D201-E203 WeakPolarHBondContact OD1-CA 3.17Å; D201-E203 VanDerWaalsContact OD1-CB 3.31Å; D201-E203 WeakPolarHBondContact OD1-CB 3.37Å; D201-E203 PolarHBondContact OD1-N 3.04Å; D201-F204 HydrophobicContact CB-CB 4.08Å; D201-F204 WeakPolarHBondContact O-CB 3.44Å; D201-F204 PolarHBondContact O-N 3.25Å; D201-E205 PolarHBondContact O-N 3.22Å; D201-E205 VanDerWaalsContact O-N 3.15Å
202P94.4Very high93.1Very high105 Ų10552.4 Ų52.468%0.68229%0.29SS*.Hα-helixtrans-66.8-27.1-179.327.4-35.3000113.9G206P202-G206 PolarHBondContact O-N 3.35Å
203E93.6Very high93.1Very high41 Ų4152.8 Ų52.819%0.19229%0.294CS..Hα-helixtrans-68.5-39174.7-165.9178.190.200110.1Y197 D201 G206 M207 L251 K254Y197-E203 HydrophobicContact CE1-CB 3.84Å; Y197-E203 HydrophobicContact CE1-CG 3.97Å; Y197-E203 WeakPolarHBondContact CE1-OE1 3.36Å; Y197-E203 PolarHBondContact OH-OE1 3.02Å; D201-E203 VanDerWaalsContact C-N 3.3Å; D201-E203 PolarHBondContact O-N 2.85Å; D201-E203 WeakPolarHBondContact OD1-CA 3.17Å; D201-E203 VanDerWaalsContact OD1-CB 3.31Å; D201-E203 WeakPolarHBondContact OD1-CB 3.37Å; D201-E203 PolarHBondContact OD1-N 3.04Å; E203-G206 PolarHBondContact O-N 3.1Å; E203-M207 WeakPolarHBondContact O-CB 3.18Å; E203-M207 PolarHBondContact O-N 2.95Å; E203-L251 HydrophobicContact CG-CD2 3.82Å; E203-K254 IonicContact OE2-NZ 3.47Å; E203-K254 PolarHBondContact OE2-NZ 3.46Å
204F93.3Very high93Very high4 Ų453.1 Ų53.12%0.01830%0.296CS..Hα-helixtrans-63.6-46.2173.9175.5-107.1000112.5R182 T185 Y197 D201 G206 M207 L208R182-F204 VanDerWaalsContact CA-CZ 3.42Å; R182-F204 HydrophobicContact CB-CE1 3.9Å; R182-F204 HydrophobicContact CB-CE2 4.12Å; R182-F204 HydrophobicContact CB-CZ 3.53Å; R182-F204 HydrophobicContact CG-CE1 4.17Å; R182-F204 HydrophobicContact CG-CE2 4.29Å; R182-F204 HydrophobicContact CG-CZ 4.02Å; T185-F204 HydrophobicContact CG2-CD2 4.07Å; T185-F204 HydrophobicContact CG2-CE2 3.94Å; Y197-F204 HydrophobicContact CD1-CB 4.09Å; Y197-F204 HydrophobicContact CD2-CB 4.16Å; Y197-F204 AromaticContact CD2-CD2 3.99Å; Y197-F204 HydrophobicContact CD2-CD2 3.99Å; Y197-F204 HydrophobicContact CG-CB 3.8Å; Y197-F204 HydrophobicContact CG-CD2 4.33Å; Y197-F204 HydrophobicContact CG-CG 4.44Å; D201-F204 HydrophobicContact CB-CB 4.08Å; D201-F204 WeakPolarHBondContact O-CB 3.44Å; D201-F204 PolarHBondContact O-N 3.25Å; F204-G206 VanDerWaalsContact C-N 3.29Å; F204-G206 PolarHBondContact O-N 3.22Å; F204-M207 HydrophobicContact CD2-CE 3.64Å; F204-M207 HydrophobicContact CE2-CE 3.54Å; F204-M207 WeakPolarHBondContact O-CA 3.45Å; F204-M207 VanDerWaalsContact O-CB 3.29Å; F204-M207 WeakPolarHBondContact O-CB 3.38Å; F204-M207 PolarHBondContact O-N 3.38Å; F204-L208 HydrophobicContact CD1-CD1 4.21Å; F204-L208 HydrophobicContact CE1-CD1 3.52Å; F204-L208 HydrophobicContact CE1-CG 4.04Å; F204-L208 HydrophobicContact CE2-CD1 4.49Å; F204-L208 HydrophobicContact CE2-CD2 4.07Å; F204-L208 HydrophobicContact CE2-CG 4.19Å; F204-L208 HydrophobicContact CZ-CD1 3.68Å; F204-L208 HydrophobicContact CZ-CD2 3.85Å; F204-L208 HydrophobicContact CZ-CG 3.86Å; F204-L208 PolarHBondContact O-N 3.33Å
205E91.7Very high92.9Very high84 Ų8449.4 Ų49.439%0.39328%0.277SS..Hα-helixtrans-65.7-33.7175.5-67.6-60.5153.100112.3D201 M207 R209D201-E205 PolarHBondContact O-N 3.22Å; D201-E205 VanDerWaalsContact O-N 3.15Å; E205-M207 VanDerWaalsContact C-N 3.29Å; E205-R209 WeakPolarHBondContact O-CG 3.08Å; E205-R209 PolarHBondContact O-N 3.04Å; E205-R209 PolarHBondContact O-NE 2.8Å
206G93.5Very high92.7Very high16 Ų1650.2 Ų50.217%0.16528%0.279CS..Hα-helixtrans-59.2-42.5167.300000111.9P202 E203 F204 R209 Y210P202-G206 PolarHBondContact O-N 3.35Å; E203-G206 PolarHBondContact O-N 3.1Å; F204-G206 VanDerWaalsContact C-N 3.29Å; F204-G206 PolarHBondContact O-N 3.22Å; G206-R209 PolarHBondContact O-N 3.39Å; G206-Y210 VanDerWaalsContact O-CD1 3.28Å; G206-Y210 WeakPolarHBondContact O-CD1 3.23Å; G206-Y210 PolarHBondContact O-N 3.3Å; G206-Y210 VanDerWaalsContact O-N 3.14Å
207M94.5Very high92.5Very high1 Ų147 Ų471%0.00526%0.256CS..Hα-helixtrans-63.2-49.2178.8-176.2-75.6-68.200113.5T185 E203 F204 E205 R209 Y210 S211 F310T185-M207 HydrophobicContact CG2-CE 3.53Å; E203-M207 WeakPolarHBondContact O-CB 3.18Å; E203-M207 PolarHBondContact O-N 2.95Å; F204-M207 HydrophobicContact CD2-CE 3.64Å; F204-M207 HydrophobicContact CE2-CE 3.54Å; F204-M207 WeakPolarHBondContact O-CA 3.45Å; F204-M207 VanDerWaalsContact O-CB 3.29Å; F204-M207 WeakPolarHBondContact O-CB 3.38Å; F204-M207 PolarHBondContact O-N 3.38Å; E205-M207 VanDerWaalsContact C-N 3.29Å; M207-R209 VanDerWaalsContact C-N 3.26Å; M207-R209 PolarHBondContact O-N 3.45Å; M207-Y210 HydrophobicContact CB-CD1 4.5Å; M207-Y210 HydrophobicContact CB-CE1 3.82Å; M207-Y210 HydrophobicContact CG-CE1 3.81Å; M207-Y210 WeakPolarHBondContact CG-OH 3.38Å; M207-Y210 PolarHBondContact O-N 3.28Å; M207-S211 VanDerWaalsContact O-CB 3.29Å; M207-S211 WeakPolarHBondContact O-CB 3.44Å; M207-S211 PolarHBondContact O-N 2.82Å; M207-S211 PolarHBondContact O-OG 2.87Å; M207-S211 PolarHBondContact SD-OG 3.31Å; M207-S211 VanDerWaalsContact SD-OG 3.4Å; M207-F310 HydrophobicContact CE-CZ 4.41Å; M207-F310 HydrophobicContact CG-CE1 3.86Å; M207-F310 HydrophobicContact CG-CZ 4.17Å; M207-F310 HydrophobicContact SD-CE1 4.07Å; M207-F310 HydrophobicContact SD-CZ 4.45Å
208L91.5Very high92Very high39 Ų3946.1 Ų46.120%0.20425%0.253CS..Hα-helixtrans-57.7-41.9177.3-67.1-176.3000111.8T181 F204 S211 Q212T181-L208 HydrophobicContact CG2-CD2 3.41Å; T181-L208 VanDerWaalsContact CG2-CD2 3.41Å; F204-L208 HydrophobicContact CD1-CD1 4.21Å; F204-L208 HydrophobicContact CE1-CD1 3.52Å; F204-L208 HydrophobicContact CE1-CG 4.04Å; F204-L208 HydrophobicContact CE2-CD1 4.49Å; F204-L208 HydrophobicContact CE2-CD2 4.07Å; F204-L208 HydrophobicContact CE2-CG 4.19Å; F204-L208 HydrophobicContact CZ-CD1 3.68Å; F204-L208 HydrophobicContact CZ-CD2 3.85Å; F204-L208 HydrophobicContact CZ-CG 3.86Å; F204-L208 PolarHBondContact O-N 3.33Å; L208-S211 PolarHBondContact O-N 3.09Å; L208-Q212 PolarHBondContact O-N 2.99Å
209R93.9Very high90.7Very high182 Ų18245 Ų4569%0.68724%0.244SC*.Hα-helixtrans-65.7-48.9-179.1-74.5-176.4-66.8163.6-2.2112.6E205 G206 M207 S211 G213E205-R209 WeakPolarHBondContact O-CG 3.08Å; E205-R209 PolarHBondContact O-N 3.04Å; E205-R209 PolarHBondContact O-NE 2.8Å; G206-R209 PolarHBondContact O-N 3.39Å; M207-R209 VanDerWaalsContact C-N 3.26Å; M207-R209 PolarHBondContact O-N 3.45Å; R209-S211 VanDerWaalsContact C-N 3.31Å; R209-S211 PolarHBondContact O-N 2.7Å; R209-G213 PolarHBondContact O-N 3.39Å; R209-G213 VanDerWaalsContact O-N 3.12Å
210Y95.1Very high89.7Confident17 Ų1744.3 Ų44.37%0.06724%0.244CC..Hα-helixtrans-68.3-35.3179.279.4-115.4000111.3G206 M207 G213 I214 V247 R248 L251G206-Y210 VanDerWaalsContact O-CD1 3.28Å; G206-Y210 WeakPolarHBondContact O-CD1 3.23Å; G206-Y210 PolarHBondContact O-N 3.3Å; G206-Y210 VanDerWaalsContact O-N 3.14Å; M207-Y210 HydrophobicContact CB-CD1 4.5Å; M207-Y210 HydrophobicContact CB-CE1 3.82Å; M207-Y210 HydrophobicContact CG-CE1 3.81Å; M207-Y210 WeakPolarHBondContact CG-OH 3.38Å; M207-Y210 PolarHBondContact O-N 3.28Å; Y210-G213 PolarHBondContact O-N 3.33Å; Y210-I214 HydrophobicContact CD2-CD1 3.92Å; Y210-I214 HydrophobicContact CE2-CD1 4.44Å; Y210-I214 WeakPolarHBondContact O-CG1 3.42Å; Y210-I214 PolarHBondContact O-N 3.03Å; Y210-V247 HydrophobicContact CD1-CB 4.46Å; Y210-V247 HydrophobicContact CD1-CG1 3.8Å; Y210-V247 HydrophobicContact CG-CG1 4.42Å; Y210-R248 HydrophobicContact CD2-CB 3.94Å; Y210-R248 HydrophobicContact CE1-CB 4.47Å; Y210-R248 HydrophobicContact CE2-CB 3.72Å; Y210-R248 HydrophobicContact CE2-CG 3.83Å; Y210-L251 HydrophobicContact CD1-CD1 4.35Å; Y210-L251 HydrophobicContact CE1-CD1 3.63Å
211S93.2Very high88.6Confident20 Ų2045.4 Ų45.414%0.1424%0.236CC..Hα-helixtrans-64.5-47.2-179.8-62.20000111.1M207 L208 R209 G213 I214 V215M207-S211 VanDerWaalsContact O-CB 3.29Å; M207-S211 WeakPolarHBondContact O-CB 3.44Å; M207-S211 PolarHBondContact O-N 2.82Å; M207-S211 PolarHBondContact O-OG 2.87Å; M207-S211 PolarHBondContact SD-OG 3.31Å; M207-S211 VanDerWaalsContact SD-OG 3.4Å; L208-S211 PolarHBondContact O-N 3.09Å; R209-S211 VanDerWaalsContact C-N 3.31Å; R209-S211 PolarHBondContact O-N 2.7Å; S211-G213 VanDerWaalsContact C-N 3.31Å; S211-G213 PolarHBondContact O-N 2.62Å; S211-I214 PolarHBondContact O-N 3.37Å; S211-V215 WeakPolarHBondContact O-CG2 3.47Å; S211-V215 PolarHBondContact O-N 2.87Å
212Q91.1Very high87.6Confident60 Ų6044.1 Ų44.128%0.2823%0.23SC..Hα-helixtrans-61.6-39.8174.4-171.766.161.800111.7L208 I214 V215 D216L208-Q212 PolarHBondContact O-N 2.99Å; Q212-I214 VanDerWaalsContact C-N 3.33Å; Q212-I214 PolarHBondContact O-N 3.06Å; Q212-V215 PolarHBondContact O-N 3.29Å; Q212-D216 PolarHBondContact NE2-OD1 2.98Å; Q212-D216 VanDerWaalsContact O-CB 3.29Å; Q212-D216 WeakPolarHBondContact O-CB 3.5Å; Q212-D216 PolarHBondContact O-N 2.94Å
213G93.5Very high86.9Confident8 Ų844 Ų448%0.08222%0.223CC..Hα-helixtrans-62.8-36.717600000113.4R209 Y210 S211 T217R209-G213 PolarHBondContact O-N 3.39Å; R209-G213 VanDerWaalsContact O-N 3.12Å; Y210-G213 PolarHBondContact O-N 3.33Å; S211-G213 VanDerWaalsContact C-N 3.31Å; S211-G213 PolarHBondContact O-N 2.62Å; G213-T217 VanDerWaalsContact O-CG2 3.31Å; G213-T217 WeakPolarHBondContact O-CG2 3.36Å; G213-T217 PolarHBondContact O-N 3.47Å; G213-T217 PolarHBondContact O-OG1 2.95Å
214I93.8Very high86.5Confident20 Ų2042.1 Ų42.110%0.10322%0.215CC..Hα-helixtrans-66.5-50.3172.6-71.2171.2000110.4L112 Y210 S211 Q212 D216 T217 V218 L241 C244 V245L112-I214 HydrophobicContact CD1-CD1 4.13Å; L112-I214 HydrophobicContact CD1-CG2 3.6Å; Y210-I214 HydrophobicContact CD2-CD1 3.92Å; Y210-I214 HydrophobicContact CE2-CD1 4.44Å; Y210-I214 WeakPolarHBondContact O-CG1 3.42Å; Y210-I214 PolarHBondContact O-N 3.03Å; S211-I214 PolarHBondContact O-N 3.37Å; Q212-I214 VanDerWaalsContact C-N 3.33Å; Q212-I214 PolarHBondContact O-N 3.06Å; I214-D216 PolarHBondContact O-N 2.62Å; I214-T217 PolarHBondContact O-N 3.01Å; I214-T217 VanDerWaalsContact O-N 3.11Å; I214-T217 PolarHBondContact O-OG1 3.03Å; I214-V218 HydrophobicContact CG2-CG2 3.84Å; I214-V218 WeakPolarHBondContact O-CB 3.33Å; I214-V218 WeakPolarHBondContact O-CG2 3.21Å; I214-V218 PolarHBondContact O-N 2.81Å; I214-L241 HydrophobicContact CG1-CD1 4.2Å; I214-C244 HydrophobicContact CD1-CB 4.37Å; I214-C244 HydrophobicContact CG1-CB 3.75Å; I214-V245 HydrophobicContact CD1-CG2 4.3Å; I214-V245 HydrophobicContact CG1-CG2 4.44Å
215V90.3Very high86.1Confident20 Ų2042.7 Ų42.712%0.12122%0.218CC..Hα-helixtrans-59-36.7179.4172.50000111.7S211 Q212 T217 E315 V494S211-V215 WeakPolarHBondContact O-CG2 3.47Å; S211-V215 PolarHBondContact O-N 2.87Å; Q212-V215 PolarHBondContact O-N 3.29Å; V215-T217 VanDerWaalsContact C-N 3.26Å; V215-T217 PolarHBondContact O-N 3.41Å; V215-E315 HydrophobicContact CG2-CG 4Å; V215-V494 HydrophobicContact CG1-CG2 4.2Å
216D89.1Confident85.8Confident49 Ų4939.4 Ų39.426%0.26220%0.203SC..THydrogen-bonded Turntrans-73.4-15.3-179.1-74.3-6.4000114.2Q212 I214 K220 K490Q212-D216 PolarHBondContact NE2-OD1 2.98Å; Q212-D216 VanDerWaalsContact O-CB 3.29Å; Q212-D216 WeakPolarHBondContact O-CB 3.5Å; Q212-D216 PolarHBondContact O-N 2.94Å; I214-D216 PolarHBondContact O-N 2.62Å; D216-K220 WeakPolarHBondContact O-CD 3.35Å; D216-K490 WeakPolarHBondContact OD1-CE 3.37Å; D216-K490 IonicContact OD1-NZ 3.84Å; D216-K490 PolarHBondContact OD1-NZ 3.18Å; D216-K490 IonicContact OD2-NZ 2.73Å
217T89.2Confident85.5Confident4 Ų440.1 Ų40.13%0.02520%0.202CC..THydrogen-bonded Turntrans-119.8-25.3-172.354.90000114G213 I214 V215 D237 L240G213-T217 VanDerWaalsContact O-CG2 3.31Å; G213-T217 WeakPolarHBondContact O-CG2 3.36Å; G213-T217 PolarHBondContact O-N 3.47Å; G213-T217 PolarHBondContact O-OG1 2.95Å; I214-T217 PolarHBondContact O-N 3.01Å; I214-T217 VanDerWaalsContact O-N 3.11Å; I214-T217 PolarHBondContact O-OG1 3.03Å; V215-T217 VanDerWaalsContact C-N 3.26Å; V215-T217 PolarHBondContact O-N 3.41Å; T217-D237 HydrophobicContact CG2-CB 4.03Å; T217-L240 HydrophobicContact CG2-CB 4.21Å; T217-L240 HydrophobicContact CG2-CD2 3.84Å; T217-L240 HydrophobicContact CG2-CG 4.11Å
218V85.3Confident85.1Confident2 Ų243 Ų431%0.01222%0.221CC..SBendtrans-85.6139.3179.9176.20000111.4L112 I214 K220 L241 V493L112-V218 HydrophobicContact CD2-CG1 4.21Å; L112-V218 HydrophobicContact CD2-CG2 4.29Å; I214-V218 HydrophobicContact CG2-CG2 3.84Å; I214-V218 WeakPolarHBondContact O-CB 3.33Å; I214-V218 WeakPolarHBondContact O-CG2 3.21Å; I214-V218 PolarHBondContact O-N 2.81Å; V218-K220 PolarHBondContact O-N 3.21Å; V218-L241 HydrophobicContact CG2-CD1 3.53Å; V218-L241 HydrophobicContact CG2-CD2 4.07Å; V218-L241 HydrophobicContact CG2-CG 4.46Å; V218-V493 HydrophobicContact CB-CG2 4.31Å; V218-V493 HydrophobicContact CG1-CG2 3.97Å
219A65.8Low84.9Confident42 Ų4248.5 Ų48.535%0.34724%0.239SC..SBendtrans5424.7173.500000115.6D221 V493A219-D221 VanDerWaalsContact C-N 3.27Å; A219-D221 PolarHBondContact O-N 3.07Å; A219-V493 HydrophobicContact CB-CG2 3.63Å
220K68.6Low84.6Confident111 Ų11141.4 Ų41.448%0.48321%0.214SC..SBendtrans-89.352179.2-163-173.5-178.7-177.70112.2D216 V218 S222D216-K220 WeakPolarHBondContact O-CD 3.35Å; V218-K220 PolarHBondContact O-N 3.21Å; K220-S222 PolarHBondContact O-N 3.31Å
221D65Low84.4Confident85 Ų8545.5 Ų45.546%0.45523%0.234SC..  trans39.738.6-175.6-68.4-44.7000113.2P56 A219P56-D221 WeakPolarHBondContact CG-OD2 3.29Å; A219-D221 VanDerWaalsContact C-N 3.27Å; A219-D221 PolarHBondContact O-N 3.07Å
222S72.9Confident84.2Confident16 Ų1650.7 Ų50.711%0.11226%0.258CS..  trans-69.2138.1-167.8-171.20000109.9K220 V224 D225 I226K220-S222 PolarHBondContact O-N 3.31Å; S222-V224 PolarHBondContact O-N 3.41Å; S222-V224 VanDerWaalsContact O-N 3.08Å; S222-V224 WeakPolarHBondContact OG-CG2 3.11Å; S222-D225 PolarHBondContact O-N 2.84Å; S222-I226 PolarHBondContact O-N 2.98Å
223L80.1Confident84.1Confident103 Ų10353.4 Ų53.454%0.53927%0.27SS..Hα-helixtrans-58-28.9-179.2-70178000112.3D225 I226 F227 L230L223-D225 VanDerWaalsContact C-N 3.31Å; L223-D225 PolarHBondContact O-N 3.4Å; L223-I226 PolarHBondContact O-N 3.11Å; L223-F227 WeakPolarHBondContact O-CA 3.36Å; L223-F227 WeakPolarHBondContact O-CB 3.33Å; L223-F227 PolarHBondContact O-N 3.22Å; L223-L230 HydrophobicContact CB-CD1 3.64Å
224V84.9Confident84Confident2 Ų259.2 Ų59.21%0.01231%0.306CS..Hα-helixtrans-71.2-24.4176.9-66.30000113.2V107 T108 S222 F227 P228 L230 L238V107-V224 VanDerWaalsContact CG2-O 3.29Å; V107-V224 WeakPolarHBondContact CG2-O 3.45Å; T108-V224 HydrophobicContact CG2-CG2 4.43Å; S222-V224 PolarHBondContact O-N 3.41Å; S222-V224 VanDerWaalsContact O-N 3.08Å; S222-V224 WeakPolarHBondContact OG-CG2 3.11Å; V224-F227 CarbonylContact O-C 3.45Å; V224-P228 VanDerWaalsContact O-CA 3.28Å; V224-P228 WeakPolarHBondContact O-CA 3.12Å; V224-L230 HydrophobicContact CG1-CB 3.94Å; V224-L238 HydrophobicContact CB-CD1 4.18Å; V224-L238 HydrophobicContact CG1-CD1 3.86Å; V224-L238 HydrophobicContact CG2-CD1 3.99Å; V224-L238 HydrophobicContact CG2-CD2 4.02Å; V224-L238 HydrophobicContact CG2-CG 4.02Å
225D86.3Confident83.9Confident15 Ų1560.4 Ų60.48%0.0831%0.312CS..Hα-helixtrans-82.2-21.6175.4-67.8-33.1000112T106 V107 T108 S222 L223T106-D225 WeakPolarHBondContact CB-OD1 3.41Å; T106-D225 HydrophobicContact CG2-CB 4.39Å; V107-D225 PolarHBondContact N-OD1 3.06Å; T108-D225 VanDerWaalsContact CG2-OD2 3.27Å; T108-D225 WeakPolarHBondContact CG2-OD2 3.4Å; T108-D225 PolarHBondContact N-OD1 3.47Å; T108-D225 VanDerWaalsContact OG1-CG 3.28Å; T108-D225 PolarHBondContact OG1-OD1 3.5Å; T108-D225 PolarHBondContact OG1-OD2 2.95Å; S222-D225 PolarHBondContact O-N 2.84Å; L223-D225 VanDerWaalsContact C-N 3.31Å; L223-D225 PolarHBondContact O-N 3.4Å
226I84.4Confident84Confident16 Ų1662.3 Ų62.38%0.08233%0.331CS..Hα-helixtrans-87.3-42172.3-56.7164.7000110.8L47 M75 S222 L223L47-I226 HydrophobicContact CD1-CD1 4.3Å; L47-I226 HydrophobicContact CD1-CG2 4.16Å; L47-I226 HydrophobicContact CD2-CD1 3.92Å; M75-I226 HydrophobicContact CB-CG2 4.33Å; S222-I226 PolarHBondContact O-N 2.98Å; L223-I226 PolarHBondContact O-N 3.11Å
227F86.5Confident84.1Confident31 Ų3163.4 Ų63.414%0.13634%0.336CS..  trans-126.884.5-177-56.8-66.5000110.5L43 L47 L223 V224 W229 L230L43-F227 WeakPolarHBondContact O-CE1 3.27Å; L47-F227 HydrophobicContact CD1-CE2 3.72Å; L47-F227 HydrophobicContact CD1-CZ 3.83Å; L223-F227 WeakPolarHBondContact O-CA 3.36Å; L223-F227 WeakPolarHBondContact O-CB 3.33Å; L223-F227 PolarHBondContact O-N 3.22Å; V224-F227 CarbonylContact O-C 3.45Å; F227-W229 HydrophobicContact CB-CZ2 4.11Å; F227-W229 HydrophobicContact CD1-CZ2 4.36Å; F227-W229 AromaticContact CD1-NE1 3.82Å; F227-W229 HydrophobicContact CG-CZ2 4.26Å; F227-W229 PolarHBondContact O-N 2.95Å; F227-L230 HydrophobicContact CB-CD1 3.76Å; F227-L230 HydrophobicContact CB-CG 3.92Å; F227-L230 HydrophobicContact CD2-CD1 4.18Å; F227-L230 HydrophobicContact CG-CD1 4.42Å; F227-L230 WeakPolarHBondContact O-CB 3.37Å; F227-L230 PolarHBondContact O-N 2.99Å
228P87.6Confident84.3Confident62 Ų6263.8 Ų63.840%0.40334%0.338SS..G310 helixtrans-57.8-27-175.5-28.736.7000114.9V107 V224 L230 Q231V107-P228 HydrophobicContact CG2-CB 3.94Å; V107-P228 HydrophobicContact CG2-CG 4.32Å; V224-P228 VanDerWaalsContact O-CA 3.28Å; V224-P228 WeakPolarHBondContact O-CA 3.12Å; P228-L230 PolarHBondContact O-N 2.88Å; P228-Q231 WeakPolarHBondContact O-CB 3.44Å; P228-Q231 VanDerWaalsContact O-CG 3.24Å; P228-Q231 WeakPolarHBondContact O-CG 3.48Å; P228-Q231 PolarHBondContact O-N 2.89Å
229W86Confident84.8Confident154 Ų15472 Ų7258%0.58337%0.369SS*.G310 helixtrans-64.1-16.5176.458.2-97.6000113.5F227 Q231 I232 F233F227-W229 HydrophobicContact CB-CZ2 4.11Å; F227-W229 HydrophobicContact CD1-CZ2 4.36Å; F227-W229 AromaticContact CD1-NE1 3.82Å; F227-W229 HydrophobicContact CG-CZ2 4.26Å; F227-W229 PolarHBondContact O-N 2.95Å; W229-Q231 PolarHBondContact O-N 2.8Å; W229-Q231 VanDerWaalsContact O-N 3.16Å; W229-I232 VanDerWaalsContact O-CG1 3.31Å; W229-I232 WeakPolarHBondContact O-CG1 3.34Å; W229-I232 WeakPolarHBondContact O-CG2 3.4Å; W229-I232 PolarHBondContact O-N 2.88Å; W229-F233 HydrophobicContact CZ3-CE2 4.15Å
230L88.8Confident86.2Confident33 Ų3373.6 Ų73.617%0.17337%0.371CS..G310 helixtrans-67.2-8.8173.9-71175.7000113.7L223 V224 F227 P228 I232 F233L223-L230 HydrophobicContact CB-CD1 3.64Å; V224-L230 HydrophobicContact CG1-CB 3.94Å; F227-L230 HydrophobicContact CB-CD1 3.76Å; F227-L230 HydrophobicContact CB-CG 3.92Å; F227-L230 HydrophobicContact CD2-CD1 4.18Å; F227-L230 HydrophobicContact CG-CD1 4.42Å; F227-L230 WeakPolarHBondContact O-CB 3.37Å; F227-L230 PolarHBondContact O-N 2.99Å; P228-L230 PolarHBondContact O-N 2.88Å; L230-I232 PolarHBondContact O-N 3.17Å; L230-I232 VanDerWaalsContact O-N 3.15Å; L230-F233 HydrophobicContact CD2-CD2 3.79Å; L230-F233 HydrophobicContact CD2-CE2 3.9Å; L230-F233 PolarHBondContact O-N 3.26Å; L230-F233 VanDerWaalsContact O-N 3.09Å
231Q89.7Confident87.5Confident102 Ų10268.3 Ų68.348%0.47735%0.348SS..G310 helixtrans-59.1-19.2171.2-72.3-179.746.500113.7V107 P228 W229 F233 L238V107-Q231 HydrophobicContact CG1-CG 3.99Å; V107-Q231 HydrophobicContact CG2-CG 4.5Å; P228-Q231 WeakPolarHBondContact O-CB 3.44Å; P228-Q231 VanDerWaalsContact O-CG 3.24Å; P228-Q231 WeakPolarHBondContact O-CG 3.48Å; P228-Q231 PolarHBondContact O-N 2.89Å; W229-Q231 PolarHBondContact O-N 2.8Å; W229-Q231 VanDerWaalsContact O-N 3.16Å; Q231-F233 PolarHBondContact O-N 2.9Å; Q231-L238 HydrophobicContact CG-CD1 4.19Å
232I89.6Confident89Confident129 Ų12969.9 Ų69.966%0.66235%0.351SS*.G310 helixtrans-65.2-2317567.7-174.7000112.7W229 L230W229-I232 VanDerWaalsContact O-CG1 3.31Å; W229-I232 WeakPolarHBondContact O-CG1 3.34Å; W229-I232 WeakPolarHBondContact O-CG2 3.4Å; W229-I232 PolarHBondContact O-N 2.88Å; L230-I232 PolarHBondContact O-N 3.17Å; L230-I232 VanDerWaalsContact O-N 3.15Å
233F90Very high90.2Very high117 Ų11774.9 Ų74.951%0.51337%0.372SS..SBendtrans-95.9150.4-179.6-59.5-66.3000111.4W229 L230 Q231 N235W229-F233 HydrophobicContact CZ3-CE2 4.15Å; L230-F233 HydrophobicContact CD2-CD2 3.79Å; L230-F233 HydrophobicContact CD2-CE2 3.9Å; L230-F233 PolarHBondContact O-N 3.26Å; L230-F233 VanDerWaalsContact O-N 3.09Å; Q231-F233 PolarHBondContact O-N 2.9Å; F233-N235 PolarHBondContact O-N 2.82Å
234P89.9Confident91.1Very high131 Ų13170.2 Ų70.285%0.85135%0.349SS*.  trans-57.2122.1172.3-22.933.4000111.1
235N92.3Very high91.7Very high44 Ų4470.7 Ų70.724%0.23535%0.351CS..  trans-125.7115.7177.9-176.4-50000109.4F233 D237 L238 R239F233-N235 PolarHBondContact O-N 2.82Å; N235-D237 PolarHBondContact OD1-N 3.09Å; N235-L238 HydrophobicContact CB-CB 4.04Å; N235-L238 HydrophobicContact CB-CD1 4.08Å; N235-L238 HydrophobicContact CB-CG 4.17Å; N235-L238 PolarHBondContact OD1-N 3.16Å; N235-R239 PolarHBondContact O-N 2.94Å; N235-R239 VanDerWaalsContact O-N 3.14Å
236A91.9Very high92.2Very high61 Ų6172.5 Ų72.550%0.50437%0.365SS..Hα-helixtrans-65.8-41.1-176.100000112.2R239 L240A236-R239 PolarHBondContact O-N 2.62Å; A236-L240 PolarHBondContact O-N 3.22Å
237D91.9Very high92.9Very high71 Ų7174 Ų7438%0.3838%0.375SS..Hα-helixtrans-66-42.9179.7-65.4-21.3000111.1T217 N235 R239 L240 L241T217-D237 HydrophobicContact CG2-CB 4.03Å; N235-D237 PolarHBondContact OD1-N 3.09Å; D237-R239 VanDerWaalsContact C-N 3.31Å; D237-R239 PolarHBondContact O-N 3.32Å; D237-L240 PolarHBondContact O-N 3.26Å; D237-L241 WeakPolarHBondContact O-CB 3.37Å; D237-L241 PolarHBondContact O-N 3.5Å
238L93.3Very high93.4Very high12 Ų1273.5 Ų73.56%0.06337%0.372CS..Hα-helixtrans-63.1-37174.7-78.3-175.1000112.5V107 T108 I111 V224 Q231 N235 L241 K242V107-L238 HydrophobicContact CG1-CD1 4.4Å; V107-L238 HydrophobicContact CG1-CD2 4.12Å; T108-L238 HydrophobicContact CG2-CD2 3.99Å; I111-L238 HydrophobicContact CD1-CD2 3.99Å; V224-L238 HydrophobicContact CB-CD1 4.18Å; V224-L238 HydrophobicContact CG1-CD1 3.86Å; V224-L238 HydrophobicContact CG2-CD1 3.99Å; V224-L238 HydrophobicContact CG2-CD2 4.02Å; V224-L238 HydrophobicContact CG2-CG 4.02Å; Q231-L238 HydrophobicContact CG-CD1 4.19Å; N235-L238 HydrophobicContact CB-CB 4.04Å; N235-L238 HydrophobicContact CB-CD1 4.08Å; N235-L238 HydrophobicContact CB-CG 4.17Å; N235-L238 PolarHBondContact OD1-N 3.16Å; L238-L241 HydrophobicContact CD2-CD2 4.49Å; L238-K242 WeakPolarHBondContact O-CB 3.29Å; L238-K242 VanDerWaalsContact O-CG 3.28Å; L238-K242 WeakPolarHBondContact O-CG 3.44Å; L238-K242 PolarHBondContact O-N 2.97Å
239R95.4Very high93.9Very high175 Ų17572 Ų7266%0.6636%0.361SS*.Hα-helixtrans-68.2-42.1176.4178.3172.851-160.5-7.3111.3N235 A236 D237 H243N235-R239 PolarHBondContact O-N 2.94Å; N235-R239 VanDerWaalsContact O-N 3.14Å; A236-R239 PolarHBondContact O-N 2.62Å; D237-R239 VanDerWaalsContact C-N 3.31Å; D237-R239 PolarHBondContact O-N 3.32Å; R239-H243 WeakPolarHBondContact O-CB 3.29Å; R239-H243 PolarHBondContact O-N 3.19Å
240L95.8Very high94.4Very high76 Ų7671.7 Ų71.740%0.39836%0.363SS..Hα-helixtrans-62-47.4174.117860.1000110.8T217 A236 D237 K242 H243 C244T217-L240 HydrophobicContact CG2-CB 4.21Å; T217-L240 HydrophobicContact CG2-CD2 3.84Å; T217-L240 HydrophobicContact CG2-CG 4.11Å; A236-L240 PolarHBondContact O-N 3.22Å; D237-L240 PolarHBondContact O-N 3.26Å; L240-K242 PolarHBondContact O-N 3.48Å; L240-H243 WeakPolarHBondContact O-CB 3.33Å; L240-H243 PolarHBondContact O-N 3.34Å; L240-H243 VanDerWaalsContact O-N 3.13Å; L240-C244 PolarHBondContact O-N 3.25Å; L240-C244 PolarHBondContact O-SG 2.94Å; L240-C244 VanDerWaalsContact O-SG 3.35Å
241L95.5Very high94.8Very high0 Ų071.9 Ų71.90%036%0.364CS..Hα-helixtrans-55.6-51.1176.5177.656.7000111.6T108 I111 I214 V218 D237 L238 H243 C244 V245T108-L241 HydrophobicContact CG2-CD2 3.95Å; I111-L241 HydrophobicContact CB-CD2 4.37Å; I111-L241 HydrophobicContact CD1-CD2 4.49Å; I111-L241 HydrophobicContact CG2-CD2 4.33Å; I111-L241 HydrophobicContact CG2-CG 4.14Å; I214-L241 HydrophobicContact CG1-CD1 4.2Å; V218-L241 HydrophobicContact CG2-CD1 3.53Å; V218-L241 HydrophobicContact CG2-CD2 4.07Å; V218-L241 HydrophobicContact CG2-CG 4.46Å; D237-L241 WeakPolarHBondContact O-CB 3.37Å; D237-L241 PolarHBondContact O-N 3.5Å; L238-L241 HydrophobicContact CD2-CD2 4.49Å; L241-H243 VanDerWaalsContact C-N 3.28Å; L241-H243 PolarHBondContact O-N 3.22Å; L241-C244 PolarHBondContact O-N 3.36Å; L241-V245 HydrophobicContact CD1-CG2 3.87Å; L241-V245 HydrophobicContact CG-CG2 4.41Å; L241-V245 WeakPolarHBondContact O-CB 3.5Å; L241-V245 WeakPolarHBondContact O-CG2 3.43Å; L241-V245 PolarHBondContact O-N 2.99Å
242K96.8Very high95.1Very high117 Ų11767.5 Ų67.551%0.50934%0.344SS..Hα-helixtrans-58.8-39.5177.5-75175.7-180-177.10112.1I111 L238 L240 S246I111-K242 HydrophobicContact CD1-CG 4.22Å; I111-K242 HydrophobicContact CG2-CG 4.07Å; L238-K242 WeakPolarHBondContact O-CB 3.29Å; L238-K242 VanDerWaalsContact O-CG 3.28Å; L238-K242 WeakPolarHBondContact O-CG 3.44Å; L238-K242 PolarHBondContact O-N 2.97Å; L240-K242 PolarHBondContact O-N 3.48Å; K242-S246 WeakPolarHBondContact O-CB 3.3Å; K242-S246 PolarHBondContact O-N 3.04Å
243H97.9Very high95.5Very high121 Ų12164.4 Ų64.456%0.5633%0.327SS*.Hα-helixtrans-64.6-51176.3178.168.9000111.6R239 L240 L241 V245 S246 V247R239-H243 WeakPolarHBondContact O-CB 3.29Å; R239-H243 PolarHBondContact O-N 3.19Å; L240-H243 WeakPolarHBondContact O-CB 3.33Å; L240-H243 PolarHBondContact O-N 3.34Å; L240-H243 VanDerWaalsContact O-N 3.13Å; L241-H243 VanDerWaalsContact C-N 3.28Å; L241-H243 PolarHBondContact O-N 3.22Å; H243-V245 PolarHBondContact O-N 3.45Å; H243-S246 WeakPolarHBondContact O-CB 3.45Å; H243-S246 PolarHBondContact O-N 3.43Å; H243-S246 VanDerWaalsContact O-N 3.15Å; H243-V247 WeakPolarHBondContact O-CG2 3.26Å; H243-V247 PolarHBondContact O-N 3.25Å
244C97.7Very high95.8Very high6 Ų663.4 Ų63.44%0.04132%0.322CS..Hα-helixtrans-61.9-42.4179.2-64.80000112I214 L240 L241 S246 V247 R248I214-C244 HydrophobicContact CD1-CB 4.37Å; I214-C244 HydrophobicContact CG1-CB 3.75Å; L240-C244 PolarHBondContact O-N 3.25Å; L240-C244 PolarHBondContact O-SG 2.94Å; L240-C244 VanDerWaalsContact O-SG 3.35Å; L241-C244 PolarHBondContact O-N 3.36Å; C244-S246 VanDerWaalsContact C-N 3.33Å; C244-S246 PolarHBondContact O-N 2.79Å; C244-V247 PolarHBondContact O-N 2.68Å; C244-R248 PolarHBondContact O-N 2.89Å
245V97.6Very high96.1Very high12 Ų1258.5 Ų58.57%0.07329%0.288CS..Hα-helixtrans-61.1-40.7173.8164.60000111.4I111 L112 I214 L241 H243 V247 R248 D249I111-V245 HydrophobicContact CG2-CB 4.47Å; I111-V245 HydrophobicContact CG2-CG1 4.45Å; I111-V245 HydrophobicContact CG2-CG2 4.26Å; L112-V245 HydrophobicContact CD1-CG2 4.2Å; I214-V245 HydrophobicContact CD1-CG2 4.3Å; I214-V245 HydrophobicContact CG1-CG2 4.44Å; L241-V245 HydrophobicContact CD1-CG2 3.87Å; L241-V245 HydrophobicContact CG-CG2 4.41Å; L241-V245 WeakPolarHBondContact O-CB 3.5Å; L241-V245 WeakPolarHBondContact O-CG2 3.43Å; L241-V245 PolarHBondContact O-N 2.99Å; H243-V245 PolarHBondContact O-N 3.45Å; V245-V247 VanDerWaalsContact C-N 3.34Å; V245-V247 PolarHBondContact O-N 3.29Å; V245-R248 PolarHBondContact O-N 2.87Å; V245-D249 VanDerWaalsContact O-CB 3.32Å; V245-D249 WeakPolarHBondContact O-CB 3.35Å; V245-D249 VanDerWaalsContact O-CG 3.31Å; V245-D249 PolarHBondContact O-N 3.04Å
246S98.1Very high96.3Very high53 Ų5356.4 Ų56.437%0.37128%0.277SS..Hα-helixtrans-62.6-39.9175.8-176.90000112.5K242 H243 C244 K250K242-S246 WeakPolarHBondContact O-CB 3.3Å; K242-S246 PolarHBondContact O-N 3.04Å; H243-S246 WeakPolarHBondContact O-CB 3.45Å; H243-S246 PolarHBondContact O-N 3.43Å; H243-S246 VanDerWaalsContact O-N 3.15Å; C244-S246 VanDerWaalsContact C-N 3.33Å; C244-S246 PolarHBondContact O-N 2.79Å; S246-K250 WeakPolarHBondContact O-CG 3.43Å; S246-K250 PolarHBondContact O-N 3.13Å; S246-K250 VanDerWaalsContact O-N 3.12Å
247V97.8Very high96.6Very high46 Ų4657.4 Ų57.428%0.27927%0.271SS..Hα-helixtrans-64.9-47.8176.31760000110.6Y210 H243 C244 V245 D249 K250 L251Y210-V247 HydrophobicContact CD1-CB 4.46Å; Y210-V247 HydrophobicContact CD1-CG1 3.8Å; Y210-V247 HydrophobicContact CG-CG1 4.42Å; H243-V247 WeakPolarHBondContact O-CG2 3.26Å; H243-V247 PolarHBondContact O-N 3.25Å; C244-V247 PolarHBondContact O-N 2.68Å; V245-V247 VanDerWaalsContact C-N 3.34Å; V245-V247 PolarHBondContact O-N 3.29Å; V247-D249 PolarHBondContact O-N 3.48Å; V247-K250 PolarHBondContact O-N 3.03Å; V247-L251 PolarHBondContact O-N 3.27Å
248R97.8Very high96.8Very high22 Ų2257.6 Ų57.68%0.08327%0.269CS..Hα-helixtrans-55.9-49.6174.8-179-158.765.4-177.1-1.2111.4L112 Y210 C244 V245 K250 L251 L252L112-R248 VanDerWaalsContact O-CZ 3.24Å; L112-R248 PolarHBondContact O-NH1 2.8Å; L112-R248 PolarHBondContact O-NH2 3.47Å; Y210-R248 HydrophobicContact CD2-CB 3.94Å; Y210-R248 HydrophobicContact CE1-CB 4.47Å; Y210-R248 HydrophobicContact CE2-CB 3.72Å; Y210-R248 HydrophobicContact CE2-CG 3.83Å; C244-R248 PolarHBondContact O-N 2.89Å; V245-R248 PolarHBondContact O-N 2.87Å; R248-K250 VanDerWaalsContact C-N 3.3Å; R248-K250 PolarHBondContact O-N 3.23Å; R248-L251 PolarHBondContact O-N 2.89Å; R248-L251 VanDerWaalsContact O-N 3.09Å; R248-L252 HydrophobicContact CG-CD1 3.89Å; R248-L252 HydrophobicContact CG-CG 4.24Å; R248-L252 WeakPolarHBondContact O-CG 3.3Å; R248-L252 PolarHBondContact O-N 3.37Å
249D97.8Very high96.9Very high30 Ų3057.6 Ų57.616%0.1627%0.269CS..Hα-helixtrans-64.7-34.3-175.1-79.419000112.3R114 V245 V247 Q253R114-D249 IonicContact CZ-OD2 2.68Å; R114-D249 IonicContact NE-OD2 3.43Å; R114-D249 PolarHBondContact NE-OD2 3.32Å; R114-D249 VanDerWaalsContact NH2-CG 3.3Å; R114-D249 IonicContact NH2-OD1 3.66Å; R114-D249 IonicContact NH2-OD2 3.93Å; R114-D249 PolarHBondContact NH2-OD2 2.8Å; V245-D249 VanDerWaalsContact O-CB 3.32Å; V245-D249 WeakPolarHBondContact O-CB 3.35Å; V245-D249 VanDerWaalsContact O-CG 3.31Å; V245-D249 PolarHBondContact O-N 3.04Å; V247-D249 PolarHBondContact O-N 3.48Å; D249-Q253 VanDerWaalsContact O-CB 3.25Å; D249-Q253 WeakPolarHBondContact O-CB 3.41Å; D249-Q253 PolarHBondContact O-N 3.32Å
250K97.5Very high96.9Very high147 Ų14752.8 Ų52.864%0.63925%0.253SS*.Hα-helixtrans-62.9-42.6172.1-74173.3-176.7-1780112.1S246 V247 R248 K254S246-K250 WeakPolarHBondContact O-CG 3.43Å; S246-K250 PolarHBondContact O-N 3.13Å; S246-K250 VanDerWaalsContact O-N 3.12Å; V247-K250 PolarHBondContact O-N 3.03Å; R248-K250 VanDerWaalsContact C-N 3.3Å; R248-K250 PolarHBondContact O-N 3.23Å; K250-K254 WeakPolarHBondContact O-CB 3.18Å; K250-K254 PolarHBondContact O-N 3.25Å
251L95.9Very high96.8Very high37 Ų3753 Ų5319%0.19427%0.266CS..Hα-helixtrans-68.7-44.4178.4-67.2172.1000111.6E203 Y210 V247 R248 Q253 K254 K255E203-L251 HydrophobicContact CG-CD2 3.82Å; Y210-L251 HydrophobicContact CD1-CD1 4.35Å; Y210-L251 HydrophobicContact CE1-CD1 3.63Å; V247-L251 PolarHBondContact O-N 3.27Å; R248-L251 PolarHBondContact O-N 2.89Å; R248-L251 VanDerWaalsContact O-N 3.09Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 3.46Å; L251-K254 WeakPolarHBondContact O-CB 3.24Å; L251-K254 PolarHBondContact O-N 3.41Å; L251-K255 WeakPolarHBondContact O-CG 3.45Å; L251-K255 PolarHBondContact O-N 3.27Å
252L97.1Very high96.7Very high10 Ų1058.4 Ų58.45%0.05230%0.295CS..Hα-helixtrans-61.9-42.1175.5-69.1176.8000111.4F193 R248 K255 Y256 L303 M304 V306F193-L252 HydrophobicContact CE1-CD2 4.46Å; F193-L252 HydrophobicContact CZ-CD2 3.83Å; R248-L252 HydrophobicContact CG-CD1 3.89Å; R248-L252 HydrophobicContact CG-CG 4.24Å; R248-L252 WeakPolarHBondContact O-CG 3.3Å; R248-L252 PolarHBondContact O-N 3.37Å; L252-K255 PolarHBondContact O-N 2.93Å; L252-Y256 VanDerWaalsContact O-CB 3.3Å; L252-Y256 WeakPolarHBondContact O-CB 3.34Å; L252-Y256 PolarHBondContact O-N 3.42Å; L252-L303 HydrophobicContact CB-CD2 3.84Å; L252-L303 WeakPolarHBondContact O-CD2 3.18Å; L252-M304 HydrophobicContact CD1-CE 4.29Å; L252-V306 HydrophobicContact CD2-CG1 4.23Å
253Q97.8Very high96.6Very high65 Ų6554.1 Ų54.130%0.30428%0.275SS..Hα-helixtrans-63.3-44176.5-166.769.441.200111.5D249 L251 K255 Y256 E257D249-Q253 VanDerWaalsContact O-CB 3.25Å; D249-Q253 WeakPolarHBondContact O-CB 3.41Å; D249-Q253 PolarHBondContact O-N 3.32Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 3.46Å; Q253-K255 PolarHBondContact O-N 3.21Å; Q253-Y256 PolarHBondContact O-N 3.15Å; Q253-E257 PolarHBondContact NE2-OE1 3.01Å; Q253-E257 WeakPolarHBondContact O-CG 2.79Å; Q253-E257 PolarHBondContact O-N 3.33Å
254K96.8Very high96.2Very high95 Ų9550.6 Ų50.641%0.41326%0.264SS..Hα-helixtrans-55.5-51.7175.1174.7-174.2166.7-165.90110.8E203 K250 L251 Y256 E257 E258E203-K254 IonicContact OE2-NZ 3.47Å; E203-K254 PolarHBondContact OE2-NZ 3.46Å; K250-K254 WeakPolarHBondContact O-CB 3.18Å; K250-K254 PolarHBondContact O-N 3.25Å; L251-K254 WeakPolarHBondContact O-CB 3.24Å; L251-K254 PolarHBondContact O-N 3.41Å; K254-Y256 VanDerWaalsContact C-N 3.3Å; K254-Y256 PolarHBondContact O-N 3.22Å; K254-E257 PolarHBondContact O-N 2.79Å; K254-E258 WeakPolarHBondContact CE-OE1 3.35Å; K254-E258 WeakPolarHBondContact CG-OE1 3.34Å; K254-E258 WeakPolarHBondContact O-CG 3.23Å; K254-E258 PolarHBondContact O-N 3.42Å
255K96Very high95.7Very high28 Ų2854.7 Ų54.712%0.12229%0.286CS..Hα-helixtrans-60.4-39.7177.6-68.6-66.9179.6-177.70112.3F193 S195 L251 L252 Q253 E258 H259F193-K255 HydrophobicContact CB-CD 4.45Å; F193-K255 HydrophobicContact CD1-CB 4Å; F193-K255 HydrophobicContact CD1-CG 4.29Å; F193-K255 HydrophobicContact CE1-CB 4.11Å; F193-K255 HydrophobicContact CE1-CG 4.49Å; F193-K255 HydrophobicContact CG-CD 4.45Å; F193-K255 HydrophobicContact CG-CG 4.46Å; S195-K255 PolarHBondContact OG-NZ 3.46Å; L251-K255 WeakPolarHBondContact O-CG 3.45Å; L251-K255 PolarHBondContact O-N 3.27Å; L252-K255 PolarHBondContact O-N 2.93Å; Q253-K255 PolarHBondContact O-N 3.21Å; K255-E258 IonicContact NZ-OE2 3.85Å; K255-E258 PolarHBondContact O-N 2.99Å; K255-H259 PolarHBondContact O-N 3.27Å; K255-H259 PolarHBondContact O-ND1 3.46Å
256Y96.9Very high95.2Very high1 Ų161.5 Ų61.50%0.00432%0.322CS..Hα-helixtrans-63.8-44.9177.7177.3-107.7000113.6L252 Q253 K254 H259 K260 L272 L276 D299 L302 L303L252-Y256 VanDerWaalsContact O-CB 3.3Å; L252-Y256 WeakPolarHBondContact O-CB 3.34Å; L252-Y256 PolarHBondContact O-N 3.42Å; Q253-Y256 PolarHBondContact O-N 3.15Å; K254-Y256 VanDerWaalsContact C-N 3.3Å; K254-Y256 PolarHBondContact O-N 3.22Å; Y256-H259 PolarHBondContact O-N 3.3Å; Y256-K260 HydrophobicContact CD1-CD 3.82Å; Y256-K260 HydrophobicContact CD2-CD 4.36Å; Y256-K260 HydrophobicContact CE1-CD 3.32Å; Y256-K260 HydrophobicContact CE1-CG 4.47Å; Y256-K260 HydrophobicContact CE2-CD 3.91Å; Y256-K260 HydrophobicContact CE2-CG 4.33Å; Y256-K260 HydrophobicContact CG-CD 4.34Å; Y256-K260 WeakPolarHBondContact O-CB 3.25Å; Y256-K260 WeakPolarHBondContact O-CG 3.33Å; Y256-K260 PolarHBondContact O-N 3.38Å; Y256-L272 HydrophobicContact CD2-CD1 4.14Å; Y256-L276 HydrophobicContact CD2-CD2 4.36Å; Y256-L276 HydrophobicContact CE2-CD2 3.62Å; Y256-D299 HydrophobicContact CE1-CB 4.31Å; Y256-D299 WeakPolarHBondContact CE1-OD2 3.3Å; Y256-D299 VanDerWaalsContact CZ-OD2 3.3Å; Y256-D299 PolarHBondContact OH-OD1 2.73Å; Y256-D299 VanDerWaalsContact OH-OD1 3.14Å; Y256-D299 PolarHBondContact OH-OD2 3.11Å; Y256-L302 HydrophobicContact CE2-CD2 4.21Å; Y256-L303 HydrophobicContact CG-CD2 4.07Å
257E97.6Very high94.7Very high81 Ų8162.9 Ų62.938%0.37933%0.328SS..Hα-helixtrans-68.3-38.8176.9-62.2-51.2153.200112.2Q253 K254 H259 K260 A261Q253-E257 PolarHBondContact NE2-OE1 3.01Å; Q253-E257 WeakPolarHBondContact O-CG 2.79Å; Q253-E257 PolarHBondContact O-N 3.33Å; K254-E257 PolarHBondContact O-N 2.79Å; E257-H259 PolarHBondContact O-N 2.86Å; E257-K260 PolarHBondContact O-N 3.01Å; E257-K260 IonicContact OE1-NZ 3.37Å; E257-K260 IonicContact OE2-NZ 3.58Å; E257-K260 PolarHBondContact OE2-NZ 2.96Å; E257-A261 PolarHBondContact O-N 3.33Å
258E95.7Very high94.2Very high76 Ų7664 Ų6436%0.35533%0.33SS..Hα-helixtrans-57.3-47.8172.2-72168.6-176.800111K254 K255 K260 A261 D262K254-E258 WeakPolarHBondContact CE-OE1 3.35Å; K254-E258 WeakPolarHBondContact CG-OE1 3.34Å; K254-E258 WeakPolarHBondContact O-CG 3.23Å; K254-E258 PolarHBondContact O-N 3.42Å; K255-E258 IonicContact NZ-OE2 3.85Å; K255-E258 PolarHBondContact O-N 2.99Å; E258-K260 PolarHBondContact O-N 2.87Å; E258-A261 PolarHBondContact O-N 2.91Å; E258-D262 PolarHBondContact O-N 2.66Å; E258-D262 VanDerWaalsContact O-N 3.14Å
259H95.5Very high93.8Very high11 Ų1166 Ų665%0.05134%0.338CS..Hα-helixtrans-67.5-36.4-179.8-7763.9000112.7K255 Y256 E257 D262 Y263 R269 D270 L272 D273 L276K255-H259 PolarHBondContact O-N 3.27Å; K255-H259 PolarHBondContact O-ND1 3.46Å; Y256-H259 PolarHBondContact O-N 3.3Å; E257-H259 PolarHBondContact O-N 2.86Å; H259-D262 PolarHBondContact O-N 2.76Å; H259-Y263 WeakPolarHBondContact O-CA 2.89Å; H259-Y263 WeakPolarHBondContact O-CB 3.29Å; H259-Y263 PolarHBondContact O-N 3.18Å; H259-R269 PolarHBondContact O-NH2 3.46Å; H259-D270 IonicContact CD2-OD1 2.83Å; H259-D270 IonicContact CD2-OD2 3.45Å; H259-D270 IonicContact NE2-OD1 2.75Å; H259-D270 IonicContact NE2-OD2 3.62Å; H259-D270 PolarHBondContact NE2-OD2 2.86Å; H259-L272 HydrophobicContact CB-CD2 3.73Å; H259-L272 HydrophobicContact CB-CG 4.14Å; H259-L272 VanDerWaalsContact CG-CD2 3.47Å; H259-D273 IonicContact CD2-OD1 3.89Å; H259-L276 HydrophobicContact CB-CD1 3.97Å
260K94.3Very high93.5Very high74 Ų7464.6 Ų64.632%0.32233%0.33SS..Hα-helixtrans-64.3-39.6175.2-84.3172.258.7-156.70112.7Y256 E257 E258 L276Y256-K260 HydrophobicContact CD1-CD 3.82Å; Y256-K260 HydrophobicContact CD2-CD 4.36Å; Y256-K260 HydrophobicContact CE1-CD 3.32Å; Y256-K260 HydrophobicContact CE1-CG 4.47Å; Y256-K260 HydrophobicContact CE2-CD 3.91Å; Y256-K260 HydrophobicContact CE2-CG 4.33Å; Y256-K260 HydrophobicContact CG-CD 4.34Å; Y256-K260 WeakPolarHBondContact O-CB 3.25Å; Y256-K260 WeakPolarHBondContact O-CG 3.33Å; Y256-K260 PolarHBondContact O-N 3.38Å; E257-K260 PolarHBondContact O-N 3.01Å; E257-K260 IonicContact OE1-NZ 3.37Å; E257-K260 IonicContact OE2-NZ 3.58Å; E257-K260 PolarHBondContact OE2-NZ 2.96Å; E258-K260 PolarHBondContact O-N 2.87Å; K260-L276 HydrophobicContact CD-CD2 4.43Å; K260-L276 HydrophobicContact CG-CD1 4.25Å; K260-L276 HydrophobicContact CG-CD2 3.78Å
261A95.2Very high93.4Very high82 Ų8257.9 Ų57.968%0.67830%0.301SS*.Hα-helixtrans-66.2-40.8178.500000111.5E257 E258E257-A261 PolarHBondContact O-N 3.33Å; E258-A261 PolarHBondContact O-N 2.91Å
262D93.2Very high93.3Very high112 Ų11256.1 Ų56.160%0.59929%0.292SS*.THydrogen-bonded Turntrans-95.210.1-176.1-65-18.5000113.9E258 H259 R269E258-D262 PolarHBondContact O-N 2.66Å; E258-D262 VanDerWaalsContact O-N 3.14Å; H259-D262 PolarHBondContact O-N 2.76Å; D262-R269 VanDerWaalsContact CB-NH1 3.3Å
263Y93.5Very high93.2Very high27 Ų2755.7 Ų55.711%0.10629%0.29CS..  trans-68.2139.4-173.9177.6-91.4000112.4H259 D265 L276 R277H259-Y263 WeakPolarHBondContact O-CA 2.89Å; H259-Y263 WeakPolarHBondContact O-CB 3.29Å; H259-Y263 PolarHBondContact O-N 3.18Å; Y263-D265 WeakPolarHBondContact CE1-OD1 3.28Å; Y263-D265 PolarHBondContact OH-OD1 3.13Å; Y263-L276 HydrophobicContact CD2-CB 3.95Å; Y263-L276 HydrophobicContact CD2-CD1 4.14Å; Y263-L276 HydrophobicContact CE2-CB 3.9Å; Y263-R277 HydrophobicContact CE2-CB 4.35Å; Y263-R277 WeakPolarHBondContact OH-CA 3.48Å; Y263-R277 WeakPolarHBondContact OH-CB 3.16Å
264S90.6Very high93Very high47 Ų4753 Ų5333%0.32928%0.279SS..  trans-139.5133.3175.1178.20000111.2N266 V267S264-N266 PolarHBondContact O-N 3.27Å; S264-N266 PolarHBondContact OG-N 3.38Å; S264-V267 PolarHBondContact O-N 3.34Å
265D87.1Confident92.8Very high93 Ų9348.5 Ų48.550%0.49726%0.26SS..THydrogen-bonded Turntrans-66.5-21.6177.6-74-45.2000113Y263 R277Y263-D265 WeakPolarHBondContact CE1-OD1 3.28Å; Y263-D265 PolarHBondContact OH-OD1 3.13Å; D265-R277 VanDerWaalsContact O-CZ 3.27Å; D265-R277 PolarHBondContact O-NH1 3.03Å; D265-R277 PolarHBondContact O-NH2 2.75Å
266N87.4Confident92.8Very high154 Ų15447.6 Ų47.682%0.82426%0.256SS*.THydrogen-bonded Turntrans-80.5-18-177.3-63.1-35.7000113.4S264S264-N266 PolarHBondContact O-N 3.27Å; S264-N266 PolarHBondContact OG-N 3.38Å
267V86.7Confident92.5Very high83 Ų8351.3 Ų51.350%0.50327%0.27SS..  trans-131.2135.5-174.6-176.60000109S264 R269 R277S264-V267 PolarHBondContact O-N 3.34Å; V267-R269 HydrophobicContact CG1-CG 3.99Å; V267-R277 PolarHBondContact O-NH2 3.1Å; V267-R277 VanDerWaalsContact O-NH2 3.1Å
268Q87.9Confident92.2Very high69 Ų6948.2 Ų48.232%0.32226%0.259SS..  trans-116.4103.9168.5-173.9-177.1-71.500107.3D273 A274Q268-D273 HydrophobicContact CG-CB 4.08Å; Q268-A274 HydrophobicContact CG-CB 4.14Å
269R89.2Confident91.9Very high63 Ų6346.2 Ų46.224%0.23825%0.248CC..  trans-75.8-40.6-174.7-62.4169.9-70.5-175.4-0.9111.8N194 H259 D262 V267 D273N194-R269 HydrophobicContact CB-CB 4.06Å; H259-R269 PolarHBondContact O-NH2 3.46Å; D262-R269 VanDerWaalsContact CB-NH1 3.3Å; V267-R269 HydrophobicContact CG1-CG 3.99Å; R269-D273 VanDerWaalsContact CB-OD2 3.26Å; R269-D273 WeakPolarHBondContact CB-OD2 3.39Å; R269-D273 VanDerWaalsContact CG-OD2 3.31Å; R269-D273 WeakPolarHBondContact CG-OD2 3.41Å; R269-D273 IonicContact CZ-OD1 3.46Å; R269-D273 IonicContact CZ-OD2 3.94Å; R269-D273 PolarHBondContact N-OD2 3.4Å; R269-D273 IonicContact NE-OD1 3.4Å; R269-D273 IonicContact NE-OD2 3.16Å; R269-D273 PolarHBondContact NE-OD2 3.29Å; R269-D273 IonicContact NH2-OD1 2.73Å; R269-D273 PolarHBondContact NH2-OD1 3.4Å; R269-D273 IonicContact NH2-OD2 2.8Å; R269-D273 PolarHBondContact NH2-OD2 3.43Å
270D92.5Very high91.6Very high1 Ų150.8 Ų50.81%0.00527%0.265CS..SBendtrans-157.7-174.7-166.848.752.7000111.9L191 F193 N194 H259 L272 D273 A274L191-D270 WeakPolarHBondContact O-CB 3.13Å; F193-D270 VanDerWaalsContact C-OD2 3.25Å; N194-D270 HydrophobicContact CB-CB 4.32Å; N194-D270 WeakPolarHBondContact CB-OD2 3.19Å; N194-D270 PolarHBondContact N-OD2 2.81Å; H259-D270 IonicContact CD2-OD1 2.83Å; H259-D270 IonicContact CD2-OD2 3.45Å; H259-D270 IonicContact NE2-OD1 2.75Å; H259-D270 IonicContact NE2-OD2 3.62Å; H259-D270 PolarHBondContact NE2-OD2 2.86Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 3.05Å; D270-L272 WeakPolarHBondContact OD1-CB 3.38Å; D270-L272 PolarHBondContact OD1-N 3.42Å; D270-D273 PolarHBondContact OD1-N 2.76Å; D270-A274 PolarHBondContact O-N 2.7Å; D270-A274 VanDerWaalsContact O-N 3.17Å
271L94Very high91.1Very high6 Ų649.5 Ų49.53%0.03127%0.266CS..Hα-helixtrans-60.2-37176.2173.559.8000112.7I134 V135 A138 L191 A274 L275 V306 I309I134-L271 HydrophobicContact CG2-CD1 4.31Å; V135-L271 HydrophobicContact CB-CD1 4.37Å; V135-L271 HydrophobicContact CG2-CD1 3.79Å; V135-L271 HydrophobicContact CG2-CD2 4.09Å; A138-L271 HydrophobicContact CB-CB 4.3Å; A138-L271 HydrophobicContact CB-CD1 3.73Å; L191-L271 PolarHBondContact O-N 3.38Å; L271-A274 WeakPolarHBondContact O-CB 3.37Å; L271-A274 PolarHBondContact O-N 3.01Å; L271-L275 HydrophobicContact CD1-CD1 4.19Å; L271-L275 HydrophobicContact CD1-CG 4.2Å; L271-L275 HydrophobicContact CG-CD1 4.08Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.31Å; L271-V306 HydrophobicContact CD2-CG2 4.29Å; L271-I309 HydrophobicContact CD2-CB 3.98Å; L271-I309 HydrophobicContact CD2-CG1 3.84Å; L271-I309 HydrophobicContact CD2-CG2 4.08Å
272L95.4Very high90.5Very high1 Ų145.9 Ų45.91%0.00524%0.236CC..Hα-helixtrans-69-40.3-177.2-174.655.9000111.1C192 F193 Y256 H259 D270 A274 L275 L276 V306C192-L272 WeakPolarHBondContact O-CB 3.42Å; C192-L272 PolarHBondContact O-N 2.84Å; F193-L272 HydrophobicContact CD1-CD2 4.02Å; F193-L272 HydrophobicContact CE1-CD2 4.19Å; Y256-L272 HydrophobicContact CD2-CD1 4.14Å; H259-L272 HydrophobicContact CB-CD2 3.73Å; H259-L272 HydrophobicContact CB-CG 4.14Å; H259-L272 VanDerWaalsContact CG-CD2 3.47Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 3.05Å; D270-L272 WeakPolarHBondContact OD1-CB 3.38Å; D270-L272 PolarHBondContact OD1-N 3.42Å; L272-A274 VanDerWaalsContact C-N 3.33Å; L272-A274 PolarHBondContact O-N 3.22Å; L272-L275 PolarHBondContact O-N 3.04Å; L272-L276 HydrophobicContact CG-CD1 4.42Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 2.86Å; L272-V306 HydrophobicContact CD1-CG1 4.41Å
273D93.9Very high89.9Confident0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-60.8-40.2170-84.1-4.6000112.3H259 Q268 R269 D270 L275 L276 R277H259-D273 IonicContact CD2-OD1 3.89Å; Q268-D273 HydrophobicContact CG-CB 4.08Å; R269-D273 VanDerWaalsContact CB-OD2 3.26Å; R269-D273 WeakPolarHBondContact CB-OD2 3.39Å; R269-D273 VanDerWaalsContact CG-OD2 3.31Å; R269-D273 WeakPolarHBondContact CG-OD2 3.41Å; R269-D273 IonicContact CZ-OD1 3.46Å; R269-D273 IonicContact CZ-OD2 3.94Å; R269-D273 PolarHBondContact N-OD2 3.4Å; R269-D273 IonicContact NE-OD1 3.4Å; R269-D273 IonicContact NE-OD2 3.16Å; R269-D273 PolarHBondContact NE-OD2 3.29Å; R269-D273 IonicContact NH2-OD1 2.73Å; R269-D273 PolarHBondContact NH2-OD1 3.4Å; R269-D273 IonicContact NH2-OD2 2.8Å; R269-D273 PolarHBondContact NH2-OD2 3.43Å; D270-D273 PolarHBondContact OD1-N 2.76Å; D273-L275 VanDerWaalsContact C-N 3.31Å; D273-L275 PolarHBondContact O-N 3.01Å; D273-L276 PolarHBondContact O-N 2.82Å; D273-R277 VanDerWaalsContact O-CB 3.27Å; D273-R277 WeakPolarHBondContact O-CB 3.34Å; D273-R277 PolarHBondContact O-N 2.85Å
274A92.9Very high89Confident10 Ų1049.6 Ų49.68%0.08325%0.254CS..Hα-helixtrans-62-41177.400000111.8I134 Q268 D270 L271 L272 A278I134-A274 HydrophobicContact CG2-CB 4.22Å; Q268-A274 HydrophobicContact CG-CB 4.14Å; D270-A274 PolarHBondContact O-N 2.7Å; D270-A274 VanDerWaalsContact O-N 3.17Å; L271-A274 WeakPolarHBondContact O-CB 3.37Å; L271-A274 PolarHBondContact O-N 3.01Å; L272-A274 VanDerWaalsContact C-N 3.33Å; L272-A274 PolarHBondContact O-N 3.22Å; A274-A278 PolarHBondContact O-N 3.34Å
275L94.3Very high87.8Confident0 Ų054.1 Ų54.10%028%0.275CS..Hα-helixtrans-68-43.7175.8-77.9169.8000112.2I134 L271 L272 D273 R277 A278 K279 L302 T305 V306I134-L275 HydrophobicContact CB-CD2 4.41Å; I134-L275 HydrophobicContact CD1-CD2 4.13Å; I134-L275 HydrophobicContact CG2-CD2 3.85Å; I134-L275 HydrophobicContact CG2-CG 4.13Å; L271-L275 HydrophobicContact CD1-CD1 4.19Å; L271-L275 HydrophobicContact CD1-CG 4.2Å; L271-L275 HydrophobicContact CG-CD1 4.08Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.31Å; L272-L275 PolarHBondContact O-N 3.04Å; D273-L275 VanDerWaalsContact C-N 3.31Å; D273-L275 PolarHBondContact O-N 3.01Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 3.46Å; L275-A278 PolarHBondContact O-N 2.92Å; L275-K279 PolarHBondContact O-N 2.98Å; L275-L302 HydrophobicContact CB-CD2 4.04Å; L275-L302 HydrophobicContact CB-CG 3.96Å; L275-T305 HydrophobicContact CD1-CG2 4.02Å; L275-T305 HydrophobicContact CD2-CG2 4.25Å; L275-V306 HydrophobicContact CD1-CB 4.41Å
276L94.4Very high86.3Confident9 Ų956 Ų565%0.04729%0.285CS..Hα-helixtrans-61.3-42.2174.9-76.4171.5000111.9Y256 H259 K260 Y263 L272 D273 K279 R280 L302Y256-L276 HydrophobicContact CD2-CD2 4.36Å; Y256-L276 HydrophobicContact CE2-CD2 3.62Å; H259-L276 HydrophobicContact CB-CD1 3.97Å; K260-L276 HydrophobicContact CD-CD2 4.43Å; K260-L276 HydrophobicContact CG-CD1 4.25Å; K260-L276 HydrophobicContact CG-CD2 3.78Å; Y263-L276 HydrophobicContact CD2-CB 3.95Å; Y263-L276 HydrophobicContact CD2-CD1 4.14Å; Y263-L276 HydrophobicContact CE2-CB 3.9Å; L272-L276 HydrophobicContact CG-CD1 4.42Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 2.86Å; D273-L276 PolarHBondContact O-N 2.82Å; L276-K279 PolarHBondContact O-N 2.86Å; L276-R280 PolarHBondContact O-N 2.79Å; L276-L302 HydrophobicContact CD2-CD2 4.14Å; L276-L302 HydrophobicContact CG-CD2 4.49Å
277R92Very high84.7Confident78 Ų7851.3 Ų51.329%0.29426%0.262SS..Hα-helixtrans-60.7-45.7174.8-175.7-174.1-62.6-104.5-7.3111.5Y263 D265 V267 D273 L275 K279 R280 S281Y263-R277 HydrophobicContact CE2-CB 4.35Å; Y263-R277 WeakPolarHBondContact OH-CA 3.48Å; Y263-R277 WeakPolarHBondContact OH-CB 3.16Å; D265-R277 VanDerWaalsContact O-CZ 3.27Å; D265-R277 PolarHBondContact O-NH1 3.03Å; D265-R277 PolarHBondContact O-NH2 2.75Å; V267-R277 PolarHBondContact O-NH2 3.1Å; V267-R277 VanDerWaalsContact O-NH2 3.1Å; D273-R277 VanDerWaalsContact O-CB 3.27Å; D273-R277 WeakPolarHBondContact O-CB 3.34Å; D273-R277 PolarHBondContact O-N 2.85Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 3.46Å; R277-K279 VanDerWaalsContact C-N 3.33Å; R277-K279 PolarHBondContact O-N 2.82Å; R277-R280 PolarHBondContact O-N 3.35Å; R277-S281 WeakPolarHBondContact O-CB 3.26Å; R277-S281 PolarHBondContact O-N 3.41Å
278A90.4Very high83Confident17 Ų1752.5 Ų52.514%0.1428%0.28CS..Hα-helixtrans-61.3-42.5176.800000111.9F130 I134 A274 L275 A282 L297F130-A278 HydrophobicContact CE1-CB 4.22Å; F130-A278 HydrophobicContact CZ-CB 4.24Å; I134-A278 HydrophobicContact CD1-CB 3.46Å; I134-A278 VanDerWaalsContact CD1-CB 3.46Å; I134-A278 HydrophobicContact CG1-CB 4.48Å; A274-A278 PolarHBondContact O-N 3.34Å; L275-A278 PolarHBondContact O-N 2.92Å; A278-A282 PolarHBondContact O-N 3.49Å; A278-L297 HydrophobicContact CB-CD2 4.42Å
279K90.7Very high81.2Confident33 Ų3356.6 Ų56.614%0.14330%0.304CS..Hα-helixtrans-60-52.6175.1-177.1-179.4173.3-168.80112L275 L276 R277 S281 A282 E283 L297 D299 L302L275-K279 PolarHBondContact O-N 2.98Å; L276-K279 PolarHBondContact O-N 2.86Å; R277-K279 VanDerWaalsContact C-N 3.33Å; R277-K279 PolarHBondContact O-N 2.82Å; K279-S281 PolarHBondContact O-N 2.92Å; K279-A282 PolarHBondContact O-N 3.26Å; K279-E283 WeakPolarHBondContact CE-OE1 3.32Å; K279-E283 IonicContact NZ-OE1 3.39Å; K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 2.84Å; K279-L297 HydrophobicContact CB-CB 4.41Å; K279-L297 WeakPolarHBondContact CD-O 3.37Å; K279-L297 HydrophobicContact CG-CB 4.36Å; K279-D299 IonicContact NZ-OD1 2.76Å; K279-D299 PolarHBondContact NZ-OD1 3.44Å; K279-L302 HydrophobicContact CB-CD2 4.27Å; K279-L302 HydrophobicContact CD-CD1 4.43Å; K279-L302 HydrophobicContact CD-CD2 4.1Å
280R87.8Confident79.5Confident107 Ų10755.8 Ų55.840%0.40431%0.306SS..Hα-helixtrans-61.2-41.4178.9-75.2-172.7-178-133.73.8113L276 R277 A282 E283 N284L276-R280 PolarHBondContact O-N 2.79Å; R277-R280 PolarHBondContact O-N 3.35Å; R280-A282 PolarHBondContact O-N 3.11Å; R280-E283 PolarHBondContact O-N 3.32Å; R280-N284 WeakPolarHBondContact O-CB 3.32Å; R280-N284 PolarHBondContact O-N 2.76Å; R280-N284 PolarHBondContact O-ND2 3.38Å
281S85.1Confident77.9Confident47 Ų4760.2 Ų60.233%0.32933%0.33SS..Hα-helixtrans-60.2-36.6178.1-174.70000112.1R277 K279R277-S281 WeakPolarHBondContact O-CB 3.26Å; R277-S281 PolarHBondContact O-N 3.41Å; K279-S281 PolarHBondContact O-N 2.92Å
282A81.1Confident76Confident7 Ų762.7 Ų62.76%0.05835%0.346CS..Hα-helixtrans-76.6-36178.400000112A278 K279 R280 N284 N285 T292 L297A278-A282 PolarHBondContact O-N 3.49Å; K279-A282 PolarHBondContact O-N 3.26Å; R280-A282 PolarHBondContact O-N 3.11Å; A282-N284 VanDerWaalsContact C-N 3.32Å; A282-N284 PolarHBondContact O-N 2.81Å; A282-N285 PolarHBondContact O-N 3.38Å; A282-T292 HydrophobicContact CB-CG2 3.44Å; A282-T292 VanDerWaalsContact CB-CG2 3.44Å; A282-L297 HydrophobicContact CB-CD1 3.77Å
283E81.1Confident74.1Confident108 Ų10866.4 Ų66.451%0.50538%0.376SS..Hα-helixtrans-65.8-32.5173.7-70.8172.2165.400112.9K279 R280 N285K279-E283 WeakPolarHBondContact CE-OE1 3.32Å; K279-E283 IonicContact NZ-OE1 3.39Å; K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 2.84Å; R280-E283 PolarHBondContact O-N 3.32Å; E283-N285 VanDerWaalsContact C-N 3.3Å; E283-N285 PolarHBondContact O-N 2.87Å
284N75.6Confident72.7Confident109 Ų10970.1 Ų70.158%0.58340%0.399SS*.THydrogen-bonded Turntrans-84.68.8-178.5-70.1-16.6000114.3R280 A282 N286R280-N284 WeakPolarHBondContact O-CB 3.32Å; R280-N284 PolarHBondContact O-N 2.76Å; R280-N284 PolarHBondContact O-ND2 3.38Å; A282-N284 VanDerWaalsContact C-N 3.32Å; A282-N284 PolarHBondContact O-N 2.81Å; N284-N286 PolarHBondContact O-N 3.45Å
285N64.4Low71.5Confident142 Ų14269.8 Ų69.876%0.75940%0.396SS*.THydrogen-bonded Turntrans54.818.7-178.7-67.1-26.3000115.7A282 E283 T287A282-N285 PolarHBondContact O-N 3.38Å; E283-N285 VanDerWaalsContact C-N 3.3Å; E283-N285 PolarHBondContact O-N 2.87Å; N285-T287 PolarHBondContact O-N 3.37Å
286N55.8Low70.9Confident132 Ų13270.2 Ų70.271%0.70640%0.4SS*.  trans-75.8-1.8-179-81.1-16000113.8N284N284-N286 PolarHBondContact O-N 3.45Å
287T53.3Low70.5Confident56 Ų5670.2 Ų70.234%0.34440%0.4SS..  trans-123.5103.3171.751.70000109.1N285 D289 V290N285-T287 PolarHBondContact O-N 3.37Å; T287-D289 PolarHBondContact O-N 3.42Å; T287-V290 PolarHBondContact O-N 3.05Å
288A50.3Low70.6Confident107 Ų10768.9 Ų68.988%0.88440%0.403SS*.THydrogen-bonded Turntrans-60.2-10.1175.400000113.9
289D50.7Low70.8Confident156 Ų15670.6 Ų70.683%0.83441%0.41SS*.THydrogen-bonded Turntrans-1121-171.3-73.5-33.5000115.5T287T287-D289 PolarHBondContact O-N 3.42Å
290V54.3Low71Confident45 Ų4571.6 Ų71.627%0.27342%0.417SS..  trans-13594.2-175.9-170.40000111.3T287 T292 A295T287-V290 PolarHBondContact O-N 3.05Å; V290-T292 PolarHBondContact O-N 3.14Å; V290-A295 HydrophobicContact CG1-CB 3.57Å
291D57.4Low71.4Confident94 Ų9468.3 Ų68.350%0.50341%0.406SS..  trans-66.1126.6168.91729000109.2A293 T294 A295D291-A293 PolarHBondContact O-N 3.07Å; D291-A293 VanDerWaalsContact O-N 3.14Å; D291-A293 WeakPolarHBondContact OD1-CB 3.26Å; D291-A293 PolarHBondContact OD1-N 2.87Å; D291-T294 WeakPolarHBondContact CB-OG1 3.36Å; D291-T294 WeakPolarHBondContact O-CA 3.43Å; D291-T294 PolarHBondContact O-N 3.18Å; D291-T294 PolarHBondContact O-OG1 3.04Å; D291-A295 PolarHBondContact O-N 2.92Å
292T56.2Low72Confident59 Ų5966 Ų6636%0.36239%0.39SS..Hα-helixtrans-51.7-33.5178.9510000112.2A282 V290 G296A282-T292 HydrophobicContact CB-CG2 3.44Å; A282-T292 VanDerWaalsContact CB-CG2 3.44Å; V290-T292 PolarHBondContact O-N 3.14Å; T292-G296 PolarHBondContact O-N 3.29Å
293A55.2Low72.8Confident79 Ų7965.8 Ų65.865%0.65339%0.388SS*.Hα-helixtrans-68.9-40.3175.700000112D291D291-A293 PolarHBondContact O-N 3.07Å; D291-A293 VanDerWaalsContact O-N 3.14Å; D291-A293 WeakPolarHBondContact OD1-CB 3.26Å; D291-A293 PolarHBondContact OD1-N 2.87Å
294T63.2Low73.6Confident78 Ų7860.8 Ų60.848%0.47937%0.365SS..Hα-helixtrans-75-27.3175.842.60000114.3A127 D291A127-T294 PolarHBondContact N-O 3.16Å; D291-T294 WeakPolarHBondContact CB-OG1 3.36Å; D291-T294 WeakPolarHBondContact O-CA 3.43Å; D291-T294 PolarHBondContact O-N 3.18Å; D291-T294 PolarHBondContact O-OG1 3.04Å
295A68.9Low74.7Confident3 Ų355.6 Ų55.63%0.02534%0.337CS..Hα-helixtrans-82.1-16.8177.400000113.8A127 F130 V290 D291 L297A127-A295 WeakPolarHBondContact CA-O 3.34Å; A127-A295 WeakPolarHBondContact CB-O 3.32Å; F130-A295 HydrophobicContact CD1-CB 4.04Å; F130-A295 HydrophobicContact CE1-CB 4.27Å; F130-A295 HydrophobicContact CG-CB 4.43Å; V290-A295 HydrophobicContact CG1-CB 3.57Å; D291-A295 PolarHBondContact O-N 2.92Å; A295-L297 HydrophobicContact CB-CD1 3.74Å; A295-L297 HydrophobicContact CB-CG 3.95Å
296G80.5Confident76.2Confident8 Ų848.9 Ų48.98%0.08230%0.301CS..THydrogen-bonded Turntrans60.758.2-179.100000111.7H131 T292 H301H131-G296 PolarHBondContact NE2-O 2.98Å; T292-G296 PolarHBondContact O-N 3.29Å; G296-H301 WeakPolarHBondContact O-CB 3.29Å; G296-H301 PolarHBondContact O-CD2 2.86Å; G296-H301 PolarHBondContact O-ND1 2.9Å
297L87.5Confident78.2Confident9 Ų943.1 Ų43.15%0.04727%0.272CS..  trans-102.829.6-176.1-70.4164.3000113.9F130 A278 K279 A282 A295 L302F130-L297 HydrophobicContact CD1-CD2 4.19Å; F130-L297 HydrophobicContact CD1-CG 4.49Å; F130-L297 HydrophobicContact CE1-CD1 3.79Å; F130-L297 HydrophobicContact CE1-CD2 3.74Å; F130-L297 HydrophobicContact CE1-CG 4.08Å; F130-L297 HydrophobicContact CZ-CD1 4.45Å; A278-L297 HydrophobicContact CB-CD2 4.42Å; K279-L297 HydrophobicContact CB-CB 4.41Å; K279-L297 WeakPolarHBondContact CD-O 3.37Å; K279-L297 HydrophobicContact CG-CB 4.36Å; A282-L297 HydrophobicContact CB-CD1 3.77Å; A295-L297 HydrophobicContact CB-CD1 3.74Å; A295-L297 HydrophobicContact CB-CG 3.95Å; L297-L302 HydrophobicContact CB-CD1 4.44Å; L297-L302 HydrophobicContact CD2-CD1 4.2Å; L297-L302 WeakPolarHBondContact O-CD1 3.28Å
298S92.2Very high80.3Confident50 Ų5041.9 Ų41.935%0.3526%0.264SS..SBendtrans-70.6159.4172.473.20000111.7D300 H301 L302S298-D300 PolarHBondContact O-N 3.2Å; S298-D300 VanDerWaalsContact O-N 3.15Å; S298-H301 WeakPolarHBondContact O-CA 3.18Å; S298-H301 WeakPolarHBondContact O-CB 3.31Å; S298-H301 PolarHBondContact O-N 3.19Å; S298-H301 PolarHBondContact OG-ND1 3.39Å; S298-L302 WeakPolarHBondContact O-CD1 3.31Å; S298-L302 PolarHBondContact O-N 2.84Å; S298-L302 VanDerWaalsContact O-N 3.13Å
299D94.9Very high82.5Confident53 Ų5338 Ų3828%0.28323%0.228SC..Hα-helixtrans-52.5-38.9178.1-6530.6000111.6Y256 K279 H301 L302 L303Y256-D299 HydrophobicContact CE1-CB 4.31Å; Y256-D299 WeakPolarHBondContact CE1-OD2 3.3Å; Y256-D299 VanDerWaalsContact CZ-OD2 3.3Å; Y256-D299 PolarHBondContact OH-OD1 2.73Å; Y256-D299 VanDerWaalsContact OH-OD1 3.14Å; Y256-D299 PolarHBondContact OH-OD2 3.11Å; K279-D299 IonicContact NZ-OD1 2.76Å; K279-D299 PolarHBondContact NZ-OD1 3.44Å; D299-H301 PolarHBondContact O-N 2.91Å; D299-L302 PolarHBondContact O-N 3.4Å; D299-L303 WeakPolarHBondContact O-CB 3.48Å; D299-L303 WeakPolarHBondContact O-CD1 3Å; D299-L303 WeakPolarHBondContact O-CG 3.25Å; D299-L303 PolarHBondContact O-N 3.5Å
300D95.9Very high84.7Confident55 Ų5531.1 Ų31.129%0.29419%0.191SC..Hα-helixtrans-56.3-46.2173-74.8-10000112.6R114 K117 S298 M304R114-D300 WeakPolarHBondContact CD-OD1 3.48Å; R114-D300 IonicContact CZ-OD1 3.53Å; R114-D300 IonicContact NE-OD1 2.84Å; R114-D300 IonicContact NH1-OD1 3.93Å; R114-D300 PolarHBondContact NH1-OD1 2.95Å; K117-D300 HydrophobicContact CD-CB 3.54Å; K117-D300 IonicContact NZ-OD2 3.66Å; S298-D300 PolarHBondContact O-N 3.2Å; S298-D300 VanDerWaalsContact O-N 3.15Å; D300-M304 VanDerWaalsContact O-CB 3.26Å; D300-M304 WeakPolarHBondContact O-CB 3.45Å; D300-M304 WeakPolarHBondContact O-CG 3.29Å; D300-M304 PolarHBondContact O-N 3.43Å
301H96.1Very high86.7Confident37 Ų3730.5 Ų30.517%0.17119%0.193CC..Hα-helixtrans-67.7-38.2-179.1-69.790000111.7G296 S298 D299 T305G296-H301 WeakPolarHBondContact O-CB 3.29Å; G296-H301 PolarHBondContact O-CD2 2.86Å; G296-H301 PolarHBondContact O-ND1 2.9Å; S298-H301 WeakPolarHBondContact O-CA 3.18Å; S298-H301 WeakPolarHBondContact O-CB 3.31Å; S298-H301 PolarHBondContact O-N 3.19Å; S298-H301 PolarHBondContact OG-ND1 3.39Å; D299-H301 PolarHBondContact O-N 2.91Å; H301-T305 WeakPolarHBondContact O-CB 3.05Å; H301-T305 PolarHBondContact O-N 3.48Å; H301-T305 PolarHBondContact O-OG1 3.35Å
302L96.9Very high88.5Confident0 Ų028 Ų280%019%0.185CC..Hα-helixtrans-64.7-49.9176.7-82.271.3000110.6Y256 L275 L276 K279 L297 S298 D299 M304 T305 V306Y256-L302 HydrophobicContact CE2-CD2 4.21Å; L275-L302 HydrophobicContact CB-CD2 4.04Å; L275-L302 HydrophobicContact CB-CG 3.96Å; L276-L302 HydrophobicContact CD2-CD2 4.14Å; L276-L302 HydrophobicContact CG-CD2 4.49Å; K279-L302 HydrophobicContact CB-CD2 4.27Å; K279-L302 HydrophobicContact CD-CD1 4.43Å; K279-L302 HydrophobicContact CD-CD2 4.1Å; L297-L302 HydrophobicContact CB-CD1 4.44Å; L297-L302 HydrophobicContact CD2-CD1 4.2Å; L297-L302 WeakPolarHBondContact O-CD1 3.28Å; S298-L302 WeakPolarHBondContact O-CD1 3.31Å; S298-L302 PolarHBondContact O-N 2.84Å; S298-L302 VanDerWaalsContact O-N 3.13Å; D299-L302 PolarHBondContact O-N 3.4Å; L302-M304 PolarHBondContact O-N 2.97Å; L302-T305 PolarHBondContact O-N 3.41Å; L302-V306 WeakPolarHBondContact O-CG1 3.3Å; L302-V306 PolarHBondContact O-N 3.26Å
303L97.9Very high90.4Very high1 Ų125.6 Ų25.61%0.00517%0.173CC..Hα-helixtrans-61.7-43.6178.6-70.7166.4000111.9L252 Y256 D299 V306 G307L252-L303 HydrophobicContact CB-CD2 3.84Å; L252-L303 WeakPolarHBondContact O-CD2 3.18Å; Y256-L303 HydrophobicContact CG-CD2 4.07Å; D299-L303 WeakPolarHBondContact O-CB 3.48Å; D299-L303 WeakPolarHBondContact O-CD1 3Å; D299-L303 WeakPolarHBondContact O-CG 3.25Å; D299-L303 PolarHBondContact O-N 3.5Å; L303-V306 WeakPolarHBondContact O-CG1 3.25Å; L303-G307 PolarHBondContact O-N 3.12Å
304M98.1Very high92.3Very high4 Ų422 Ų222%0.0214%0.143CC..Hα-helixtrans-72.1-34.3179.3-66.7-55.993.700112.1T113 R114 K117 D118 L252 D300 L302 D308T113-M304 WeakPolarHBondContact O-CG 3.42Å; R114-M304 HydrophobicContact CB-CG 4.04Å; R114-M304 HydrophobicContact CB-SD 4.29Å; R114-M304 HydrophobicContact CG-CE 4.29Å; R114-M304 HydrophobicContact CG-CG 3.98Å; R114-M304 HydrophobicContact CG-SD 3.73Å; K117-M304 HydrophobicContact CB-CB 4.32Å; K117-M304 HydrophobicContact CB-CG 4.31Å; D118-M304 HydrophobicContact CB-CB 4.23Å; L252-M304 HydrophobicContact CD1-CE 4.29Å; D300-M304 VanDerWaalsContact O-CB 3.26Å; D300-M304 WeakPolarHBondContact O-CB 3.45Å; D300-M304 WeakPolarHBondContact O-CG 3.29Å; D300-M304 PolarHBondContact O-N 3.43Å; L302-M304 PolarHBondContact O-N 2.97Å; M304-D308 WeakPolarHBondContact O-CB 3.42Å; M304-D308 PolarHBondContact O-N 3.14Å
305T98.1Very high93.8Very high0 Ų019.7 Ų19.70%013%0.126CC..Hα-helixtrans-65.3-51.5174.4-650000111.4I119 H131 V135 L275 H301 L302 G307 D308 I309I119-T305 HydrophobicContact CD1-CG2 3.88Å; I119-T305 HydrophobicContact CG1-CG2 4.36Å; H131-T305 HydrophobicContact CB-CG2 4.41Å; H131-T305 PolarHBondContact ND1-OG1 2.64Å; V135-T305 HydrophobicContact CG2-CG2 3.63Å; L275-T305 HydrophobicContact CD1-CG2 4.02Å; L275-T305 HydrophobicContact CD2-CG2 4.25Å; H301-T305 WeakPolarHBondContact O-CB 3.05Å; H301-T305 PolarHBondContact O-N 3.48Å; H301-T305 PolarHBondContact O-OG1 3.35Å; L302-T305 PolarHBondContact O-N 3.41Å; T305-G307 VanDerWaalsContact C-N 3.32Å; T305-G307 PolarHBondContact O-N 3.32Å; T305-D308 PolarHBondContact O-N 2.87Å; T305-I309 WeakPolarHBondContact O-CG1 3.46Å; T305-I309 PolarHBondContact O-N 2.78Å; T305-I309 VanDerWaalsContact O-N 3.11Å
306V97.4Very high95.2Very high1 Ų121.6 Ų21.61%0.00614%0.138CC..Hα-helixtrans-67.1-35.6179.274.10000111.8C192 F193 L252 L271 L272 L275 L302 L303 I309 F310C192-V306 HydrophobicContact CB-CG2 3.68Å; F193-V306 HydrophobicContact CD1-CG2 4.34Å; F193-V306 HydrophobicContact CE1-CB 4.45Å; F193-V306 HydrophobicContact CE1-CG1 4.06Å; F193-V306 HydrophobicContact CE1-CG2 3.5Å; F193-V306 HydrophobicContact CZ-CG1 4.27Å; F193-V306 HydrophobicContact CZ-CG2 3.67Å; L252-V306 HydrophobicContact CD2-CG1 4.23Å; L271-V306 HydrophobicContact CD2-CG2 4.29Å; L272-V306 HydrophobicContact CD1-CG1 4.41Å; L275-V306 HydrophobicContact CD1-CB 4.41Å; L302-V306 WeakPolarHBondContact O-CG1 3.3Å; L302-V306 PolarHBondContact O-N 3.26Å; L303-V306 WeakPolarHBondContact O-CG1 3.25Å; V306-I309 PolarHBondContact O-N 2.61Å; V306-F310 VanDerWaalsContact O-CB 3.32Å; V306-F310 WeakPolarHBondContact O-CB 3.44Å; V306-F310 PolarHBondContact O-N 2.81Å
307G97.6Very high96Very high10 Ų1021.4 Ų21.410%0.10314%0.135CC..Hα-helixtrans-64.5-38.7174.900000113.4L303 T305 G311L303-G307 PolarHBondContact O-N 3.12Å; T305-G307 VanDerWaalsContact C-N 3.32Å; T305-G307 PolarHBondContact O-N 3.32Å; G307-G311 PolarHBondContact O-N 2.74Å
308D97.3Very high96.5Very high30 Ų3021 Ų2116%0.1613%0.133CC..Hα-helixtrans-64.5-48.9174.4-175.512.1000110.9D118 I119 A120 M304 T305 F310 G311 A312D118-D308 HydrophobicContact CB-CB 4.07Å; I119-D308 WeakPolarHBondContact CA-OD2 3.39Å; I119-D308 VanDerWaalsContact CB-OD2 3.29Å; I119-D308 WeakPolarHBondContact CB-OD2 3.27Å; I119-D308 PolarHBondContact N-OD2 2.81Å; A120-D308 PolarHBondContact N-OD2 3.4Å; M304-D308 WeakPolarHBondContact O-CB 3.42Å; M304-D308 PolarHBondContact O-N 3.14Å; T305-D308 PolarHBondContact O-N 2.87Å; D308-F310 VanDerWaalsContact C-N 3.35Å; D308-F310 PolarHBondContact O-N 3.31Å; D308-G311 PolarHBondContact O-N 2.94Å; D308-A312 WeakPolarHBondContact O-CB 3.3Å; D308-A312 PolarHBondContact O-N 3.29Å
309I97.3Very high96.7Very high26 Ų2618.7 Ų18.713%0.13312%0.117CC..Hα-helixtrans-62.2-42.3177.5-59.2-47.2000112I119 V135 V188 L271 T305 V306 G313 L454I119-I309 HydrophobicContact CD1-CD1 4.36Å; V135-I309 HydrophobicContact CG1-CD1 3.65Å; V135-I309 HydrophobicContact CG1-CG1 3.81Å; V135-I309 HydrophobicContact CG2-CD1 4.24Å; V135-I309 HydrophobicContact CG2-CG1 3.91Å; V188-I309 HydrophobicContact CG2-CG2 4.47Å; L271-I309 HydrophobicContact CD2-CB 3.98Å; L271-I309 HydrophobicContact CD2-CG1 3.84Å; L271-I309 HydrophobicContact CD2-CG2 4.08Å; T305-I309 WeakPolarHBondContact O-CG1 3.46Å; T305-I309 PolarHBondContact O-N 2.78Å; T305-I309 VanDerWaalsContact O-N 3.11Å; V306-I309 PolarHBondContact O-N 2.61Å; I309-G313 PolarHBondContact O-N 3.06Å; I309-L454 HydrophobicContact CD1-CD2 4.1Å
310F96.6Very high96.9Very high12 Ų1216.5 Ų16.55%0.05311%0.105CC..Hα-helixtrans-61.6-54.3176-175.7-93.5000111.5T185 V188 C189 F193 M207 V306 D308 A312 G313 V314T185-F310 HydrophobicContact CG2-CE2 4.27Å; T185-F310 HydrophobicContact CG2-CZ 3.93Å; V188-F310 HydrophobicContact CG1-CD2 3.96Å; V188-F310 HydrophobicContact CG1-CE2 4.14Å; C189-F310 HydrophobicContact CB-CE2 4.07Å; F193-F310 HydrophobicContact CD2-CD2 4.36Å; F193-F310 HydrophobicContact CE2-CB 4.49Å; F193-F310 AromaticContact CE2-CD2 3.68Å; F193-F310 HydrophobicContact CE2-CD2 3.68Å; F193-F310 HydrophobicContact CE2-CE2 4.17Å; F193-F310 HydrophobicContact CE2-CG 4.21Å; M207-F310 HydrophobicContact CE-CZ 4.41Å; M207-F310 HydrophobicContact CG-CE1 3.86Å; M207-F310 HydrophobicContact CG-CZ 4.17Å; M207-F310 HydrophobicContact SD-CE1 4.07Å; M207-F310 HydrophobicContact SD-CZ 4.45Å; V306-F310 VanDerWaalsContact O-CB 3.32Å; V306-F310 WeakPolarHBondContact O-CB 3.44Å; V306-F310 PolarHBondContact O-N 2.81Å; D308-F310 VanDerWaalsContact C-N 3.35Å; D308-F310 PolarHBondContact O-N 3.31Å; F310-A312 PolarHBondContact O-N 3.23Å; F310-G313 PolarHBondContact O-N 3.12Å; F310-V314 HydrophobicContact CD1-CG2 4.46Å; F310-V314 HydrophobicContact CE1-CG2 4.16Å; F310-V314 HydrophobicContact CZ-CG2 4.21Å; F310-V314 WeakPolarHBondContact O-CG2 3.05Å; F310-V314 PolarHBondContact O-N 2.83Å
311G95.8Very high97Very high32 Ų3213.9 Ų13.933%0.339%0.091SC..Hα-helixtrans-61.6-43.7-179.200000112.9G307 D308 E315G307-G311 PolarHBondContact O-N 2.74Å; D308-G311 PolarHBondContact O-N 2.94Å; G311-E315 WeakPolarHBondContact O-CB 3.38Å; G311-E315 PolarHBondContact O-N 2.82Å
312A96Very high97.1Very high40 Ų4014 Ų1433%0.3319%0.091SC..Hα-helixtrans-63.8-45.1177.400000111.8D308 F310 V314 T316D308-A312 WeakPolarHBondContact O-CB 3.3Å; D308-A312 PolarHBondContact O-N 3.29Å; F310-A312 PolarHBondContact O-N 3.23Å; A312-V314 PolarHBondContact O-N 3.34Å; A312-T316 WeakPolarHBondContact O-CB 3.33Å; A312-T316 WeakPolarHBondContact O-CG2 3.49Å; A312-T316 PolarHBondContact O-N 3.14Å; A312-T316 PolarHBondContact O-OG1 3.04Å
313G95.4Very high97.2Very high10 Ų1014 Ų1410%0.1039%0.091CC..Hα-helixtrans-62.7-40.7179.100000113V184 I309 F310 T317V184-G313 VanDerWaalsContact CG1-O 3.29Å; V184-G313 WeakPolarHBondContact CG1-O 3.17Å; I309-G313 PolarHBondContact O-N 3.06Å; F310-G313 PolarHBondContact O-N 3.12Å; G313-T317 PolarHBondContact O-OG1 2.62Å
314V95.5Very high97.2Very high4 Ų414.1 Ų14.12%0.0249%0.092CC..Hα-helixtrans-68.7-60177.1177.80000111.4T181 T185 V188 F310 A312 T318T181-V314 HydrophobicContact CG2-CG1 4Å; T185-V314 HydrophobicContact CG2-CG2 4.27Å; V188-V314 HydrophobicContact CG1-CG2 3.61Å; F310-V314 HydrophobicContact CD1-CG2 4.46Å; F310-V314 HydrophobicContact CE1-CG2 4.16Å; F310-V314 HydrophobicContact CZ-CG2 4.21Å; F310-V314 WeakPolarHBondContact O-CG2 3.05Å; F310-V314 PolarHBondContact O-N 2.83Å; A312-V314 PolarHBondContact O-N 3.34Å; V314-T318 WeakPolarHBondContact O-CB 2.85Å; V314-T318 PolarHBondContact O-N 3.28Å; V314-T318 PolarHBondContact O-OG1 3.09Å
315E94.8Very high97.2Very high28 Ų2814 Ų1413%0.1319%0.092CC..Hα-helixtrans-72.5-38.4-163.2-172.156.5-134.100112.2V215 G311 T319 V494 Q496V215-E315 HydrophobicContact CG2-CG 4Å; G311-E315 WeakPolarHBondContact O-CB 3.38Å; G311-E315 PolarHBondContact O-N 2.82Å; E315-T319 WeakPolarHBondContact O-CB 3.45Å; E315-T319 PolarHBondContact O-N 2.86Å; E315-T319 VanDerWaalsContact O-N 3.09Å; E315-T319 PolarHBondContact O-OG1 3.03Å; E315-T319 PolarHBondContact OE1-OG1 2.83Å; E315-V494 HydrophobicContact CG-CB 4.47Å; E315-V494 HydrophobicContact CG-CG1 4.16Å; E315-V494 HydrophobicContact CG-CG2 3.57Å; E315-Q496 PolarHBondContact OE1-NE2 3.16Å
316T97.2Very high97.1Very high44 Ų4414 Ų1427%0.279%0.092SC..Hα-helixtrans-73.2-54-175.465.20000112.2A312 T318 T319 V320 V377 V494A312-T316 WeakPolarHBondContact O-CB 3.33Å; A312-T316 WeakPolarHBondContact O-CG2 3.49Å; A312-T316 PolarHBondContact O-N 3.14Å; A312-T316 PolarHBondContact O-OG1 3.04Å; T316-T318 PolarHBondContact O-N 2.67Å; T316-T319 PolarHBondContact O-N 3.49Å; T316-V320 WeakPolarHBondContact O-CG2 3.47Å; T316-V320 PolarHBondContact O-N 2.77Å; T316-V377 HydrophobicContact CG2-CG2 4.11Å; T316-V494 HydrophobicContact CG2-CG1 4.2Å
317T98.1Very high97.1Very high3 Ų314.2 Ų14.22%0.0189%0.093CC..Hα-helixtrans-61.6-45-179.8-59.50000110.7V184 G313 T319 V320 L321 E462 L463V184-T317 HydrophobicContact CG1-CG2 4.03Å; V184-T317 HydrophobicContact CG2-CG2 3.87Å; G313-T317 PolarHBondContact O-OG1 2.62Å; T317-T319 VanDerWaalsContact C-N 3.32Å; T317-T319 PolarHBondContact O-N 2.92Å; T317-V320 PolarHBondContact O-N 3.32Å; T317-L321 HydrophobicContact CG2-CD1 4.07Å; T317-L321 HydrophobicContact CG2-CG 4.4Å; T317-L321 WeakPolarHBondContact O-CG 3.22Å; T317-L321 PolarHBondContact O-N 2.98Å; T317-E462 HydrophobicContact CG2-CB 3.71Å; T317-E462 HydrophobicContact CG2-CG 4.44Å; T317-E462 PolarHBondContact OG1-OE1 3.35Å; T317-L463 HydrophobicContact CG2-CD2 4.34Å
318T97.3Very high97.2Very high1 Ų113.9 Ų13.91%0.0069%0.088CC..Hα-helixtrans-58.7-43.7176.6-61.20000111.7T181 V314 T316 L321 K322T181-T318 HydrophobicContact CG2-CG2 4.02Å; T181-T318 WeakPolarHBondContact OG1-CG2 3.29Å; V314-T318 WeakPolarHBondContact O-CB 2.85Å; V314-T318 PolarHBondContact O-N 3.28Å; V314-T318 PolarHBondContact O-OG1 3.09Å; T316-T318 PolarHBondContact O-N 2.67Å; T318-L321 PolarHBondContact O-N 3.36Å; T318-K322 HydrophobicContact CG2-CD 4.05Å; T318-K322 VanDerWaalsContact CG2-CE 3.41Å; T318-K322 VanDerWaalsContact O-CG 3.27Å; T318-K322 WeakPolarHBondContact O-CG 3.3Å; T318-K322 PolarHBondContact O-N 3.12Å
319T97.5Very high97.1Very high1 Ų112.9 Ų12.91%0.0068%0.083CC..Hα-helixtrans-62-44.5178.3-71.60000111.7E315 T316 T317 K322 W323 V377 L495E315-T319 WeakPolarHBondContact O-CB 3.45Å; E315-T319 PolarHBondContact O-N 2.86Å; E315-T319 VanDerWaalsContact O-N 3.09Å; E315-T319 PolarHBondContact O-OG1 3.03Å; E315-T319 PolarHBondContact OE1-OG1 2.83Å; T316-T319 PolarHBondContact O-N 3.49Å; T317-T319 VanDerWaalsContact C-N 3.32Å; T317-T319 PolarHBondContact O-N 2.92Å; T319-K322 PolarHBondContact O-N 3.05Å; T319-W323 VanDerWaalsContact O-CD1 3.26Å; T319-W323 PolarHBondContact O-N 2.71Å; T319-V377 HydrophobicContact CG2-CG2 4.37Å; T319-L495 WeakPolarHBondContact CG2-O 3.18Å
320V98.6Very high97.1Very high7 Ų714 Ų144%0.0429%0.088CC..Hα-helixtrans-68.2-39.8178.9178.40000111.4T316 T317 K322 W323 A324 V371 L372 V377 L463T316-V320 WeakPolarHBondContact O-CG2 3.47Å; T316-V320 PolarHBondContact O-N 2.77Å; T317-V320 PolarHBondContact O-N 3.32Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 2.89Å; V320-W323 PolarHBondContact O-N 2.8Å; V320-A324 WeakPolarHBondContact O-CB 3.39Å; V320-A324 PolarHBondContact O-N 3.35Å; V320-V371 HydrophobicContact CG1-CG1 4.04Å; V320-L372 HydrophobicContact CB-CD2 4.47Å; V320-L372 HydrophobicContact CG1-CD2 3.76Å; V320-L372 HydrophobicContact CG1-CG 4.3Å; V320-L372 HydrophobicContact CG2-CD2 3.8Å; V320-V377 HydrophobicContact CG2-CB 4.09Å; V320-V377 HydrophobicContact CG2-CG2 4.34Å; V320-L463 HydrophobicContact CB-CD1 4.43Å; V320-L463 HydrophobicContact CB-CD2 3.81Å; V320-L463 HydrophobicContact CG1-CD1 3.74Å; V320-L463 HydrophobicContact CG1-CD2 3.51Å; V320-L463 HydrophobicContact CG1-CG 4.29Å
321L98.5Very high97.1Very high1 Ų115 Ų151%0.0059%0.092CC..Hα-helixtrans-60.5-41.2173.6-73.1172.8000111.7L180 V184 T317 T318 A324 V325 L463 F466 L467L180-L321 HydrophobicContact CD2-CD1 4.24Å; V184-L321 HydrophobicContact CG2-CD1 3.59Å; T317-L321 HydrophobicContact CG2-CD1 4.07Å; T317-L321 HydrophobicContact CG2-CG 4.4Å; T317-L321 WeakPolarHBondContact O-CG 3.22Å; T317-L321 PolarHBondContact O-N 2.98Å; T318-L321 PolarHBondContact O-N 3.36Å; L321-A324 PolarHBondContact O-N 2.73Å; L321-V325 WeakPolarHBondContact O-CG2 3.37Å; L321-V325 PolarHBondContact O-N 3.47Å; L321-L463 HydrophobicContact CD2-CD2 3.76Å; L321-L463 HydrophobicContact CG-CD2 3.82Å; L321-F466 HydrophobicContact CD1-CB 4.23Å; L321-F466 HydrophobicContact CD1-CD2 3.85Å; L321-F466 HydrophobicContact CD1-CG 4.26Å; L321-F466 HydrophobicContact CD2-CB 3.95Å; L321-L467 HydrophobicContact CD2-CD2 4.13Å; L321-L467 HydrophobicContact CD2-CG 3.92Å
322K97.4Very high97.1Very high40 Ų4016.1 Ų16.117%0.1749%0.094CC..Hα-helixtrans-63.3-45.3175-71.2168.4-179.61690111.4T318 T319 V320 A324 V325 T326 P497 Y500T318-K322 HydrophobicContact CG2-CD 4.05Å; T318-K322 VanDerWaalsContact CG2-CE 3.41Å; T318-K322 VanDerWaalsContact O-CG 3.27Å; T318-K322 WeakPolarHBondContact O-CG 3.3Å; T318-K322 PolarHBondContact O-N 3.12Å; T319-K322 PolarHBondContact O-N 3.05Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 2.89Å; K322-A324 VanDerWaalsContact C-N 3.34Å; K322-A324 PolarHBondContact O-N 2.87Å; K322-V325 PolarHBondContact O-N 2.89Å; K322-T326 WeakPolarHBondContact O-CB 3.3Å; K322-T326 PolarHBondContact O-N 2.92Å; K322-T326 PolarHBondContact O-OG1 2.71Å; K322-P497 HydrophobicContact CB-CG 3.56Å; K322-P497 HydrophobicContact CD-CG 4.42Å; K322-Y500 VanDerWaalsContact C-OH 3.26Å; K322-Y500 WeakPolarHBondContact CA-OH 3.27Å; K322-Y500 HydrophobicContact CB-CE1 4.47Å; K322-Y500 WeakPolarHBondContact CB-OH 3.27Å; K322-Y500 PolarHBondContact O-OH 3.5Å
323W98.4Very high96.9Very high0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-60.2-43.8173.5-77.9121.7000112.5T319 V320 V325 T326 Y327 V371 R375 L487 L495 P497T319-W323 VanDerWaalsContact O-CD1 3.26Å; T319-W323 PolarHBondContact O-N 2.71Å; V320-W323 PolarHBondContact O-N 2.8Å; W323-V325 PolarHBondContact O-N 3.39Å; W323-T326 WeakPolarHBondContact O-CB 3.49Å; W323-T326 PolarHBondContact O-N 2.88Å; W323-T326 VanDerWaalsContact O-N 3.13Å; W323-Y327 HydrophobicContact CE3-CE2 4.09Å; W323-Y327 WeakPolarHBondContact O-CD2 3.16Å; W323-Y327 PolarHBondContact O-N 2.86Å; W323-V371 HydrophobicContact CB-CG1 3.78Å; W323-R375 HydrophobicContact CB-CB 4.39Å; W323-R375 HydrophobicContact CD2-CB 3.8Å; W323-R375 HydrophobicContact CD2-CG 3.66Å; W323-R375 HydrophobicContact CE3-CB 4.36Å; W323-R375 HydrophobicContact CE3-CG 3.72Å; W323-R375 HydrophobicContact CG-CB 3.8Å; W323-R375 HydrophobicContact CG-CG 4.16Å; W323-R375 HydrophobicContact CH2-CG 4.27Å; W323-R375 HydrophobicContact CZ2-CG 4.21Å; W323-R375 HydrophobicContact CZ3-CG 4.03Å; W323-L487 WeakPolarHBondContact CH2-O 3.28Å; W323-L495 HydrophobicContact CZ2-CG 4.36Å; W323-L495 PolarHBondContact NE1-O 3.13Å; W323-P497 HydrophobicContact CD2-CB 3.94Å; W323-P497 HydrophobicContact CD2-CG 4.2Å; W323-P497 HydrophobicContact CE3-CB 3.95Å; W323-P497 HydrophobicContact CG-CG 4.49Å; W323-P497 HydrophobicContact CH2-CB 3.81Å; W323-P497 VanDerWaalsContact CZ2-CA 3.45Å; W323-P497 HydrophobicContact CZ2-CB 3.79Å; W323-P497 HydrophobicContact CZ2-CG 4.5Å; W323-P497 HydrophobicContact CZ3-CB 3.89Å
324A98.5Very high96.8Very high3 Ų325.5 Ų25.53%0.02513%0.132CC..Hα-helixtrans-58.5-49.517700000111.3V320 L321 K322 T326 Y327 L328 V371 L467V320-A324 WeakPolarHBondContact O-CB 3.39Å; V320-A324 PolarHBondContact O-N 3.35Å; L321-A324 PolarHBondContact O-N 2.73Å; K322-A324 VanDerWaalsContact C-N 3.34Å; K322-A324 PolarHBondContact O-N 2.87Å; A324-T326 VanDerWaalsContact C-N 3.28Å; A324-T326 PolarHBondContact O-N 3.32Å; A324-Y327 PolarHBondContact O-N 2.93Å; A324-L328 WeakPolarHBondContact O-CB 3.23Å; A324-L328 WeakPolarHBondContact O-CD1 3.4Å; A324-L328 WeakPolarHBondContact O-CG 3.29Å; A324-L328 PolarHBondContact O-N 3.16Å; A324-V371 HydrophobicContact CB-CG1 4.27Å; A324-V371 HydrophobicContact CB-CG2 4.04Å; A324-L467 HydrophobicContact CB-CD1 3.91Å; A324-L467 HydrophobicContact CB-CD2 3.89Å
325V97.3Very high97Very high2 Ų225.5 Ų25.51%0.01213%0.132CC..Hα-helixtrans-57.8-42.2174.9169.80000111.4L180 L321 K322 W323 L328 I329 L476 Y500 V502L180-V325 HydrophobicContact CD1-CG2 4.35Å; L321-V325 WeakPolarHBondContact O-CG2 3.37Å; L321-V325 PolarHBondContact O-N 3.47Å; K322-V325 PolarHBondContact O-N 2.89Å; W323-V325 PolarHBondContact O-N 3.39Å; V325-L328 PolarHBondContact O-N 2.79Å; V325-I329 WeakPolarHBondContact O-CG1 3.33Å; V325-I329 PolarHBondContact O-N 2.84Å; V325-I329 VanDerWaalsContact O-N 3.1Å; V325-L476 HydrophobicContact CB-CD1 4.48Å; V325-L476 HydrophobicContact CG1-CD1 4.06Å; V325-L476 HydrophobicContact CG2-CD1 3.99Å; V325-Y500 HydrophobicContact CG1-CE2 3.99Å; V325-V502 HydrophobicContact CG1-CG1 4.37Å; V325-V502 HydrophobicContact CG1-CG2 3.71Å
326T96.7Very high97.1Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-59.7-50.4177.5-57.30000111.3K322 W323 A324 L328 I329 H330 P485 L487 Y500K322-T326 WeakPolarHBondContact O-CB 3.3Å; K322-T326 PolarHBondContact O-N 2.92Å; K322-T326 PolarHBondContact O-OG1 2.71Å; W323-T326 WeakPolarHBondContact O-CB 3.49Å; W323-T326 PolarHBondContact O-N 2.88Å; W323-T326 VanDerWaalsContact O-N 3.13Å; A324-T326 VanDerWaalsContact C-N 3.28Å; A324-T326 PolarHBondContact O-N 3.32Å; T326-L328 VanDerWaalsContact C-N 3.35Å; T326-L328 PolarHBondContact O-N 2.96Å; T326-I329 WeakPolarHBondContact O-CG1 3.46Å; T326-I329 PolarHBondContact O-N 3.11Å; T326-H330 PolarHBondContact O-CD2 2.89Å; T326-H330 VanDerWaalsContact O-CD2 3.24Å; T326-H330 PolarHBondContact O-N 3.46Å; T326-H330 VanDerWaalsContact O-N 3.16Å; T326-P485 HydrophobicContact CG2-CB 3.99Å; T326-P485 HydrophobicContact CG2-CG 4.23Å; T326-L487 HydrophobicContact CG2-CD2 3.63Å; T326-Y500 WeakPolarHBondContact OG1-CE1 3.05Å; T326-Y500 PolarHBondContact OG1-OH 3.4Å
327Y98.2Very high97.2Very high5 Ų529.1 Ų29.12%0.0214%0.139CC..Hα-helixtrans-67.4-34.5178.4-80.8-80.1000112.6W323 A324 I329 H330 H331 I374 R375 F423 L487W323-Y327 HydrophobicContact CE3-CE2 4.09Å; W323-Y327 WeakPolarHBondContact O-CD2 3.16Å; W323-Y327 PolarHBondContact O-N 2.86Å; A324-Y327 PolarHBondContact O-N 2.93Å; Y327-I329 VanDerWaalsContact C-N 3.33Å; Y327-I329 PolarHBondContact O-N 2.85Å; Y327-H330 PolarHBondContact O-N 3.33Å; Y327-H331 PolarHBondContact O-CD2 3.45Å; Y327-H331 VanDerWaalsContact O-CD2 3.27Å; Y327-H331 PolarHBondContact O-N 3.45Å; Y327-I374 HydrophobicContact CD2-CG2 4.38Å; Y327-I374 HydrophobicContact CE1-CD1 3.9Å; Y327-I374 HydrophobicContact CE1-CG2 4.26Å; Y327-I374 HydrophobicContact CE2-CG2 3.68Å; Y327-R375 HydrophobicContact CE2-CG 3.68Å; Y327-R375 PolarHBondContact OH-NE 3.36Å; Y327-R375 VanDerWaalsContact OH-NE 3.15Å; Y327-F423 HydrophobicContact CD1-CB 3.61Å; Y327-F423 AromaticContact CD1-CD1 3.9Å; Y327-F423 HydrophobicContact CD1-CD1 3.9Å; Y327-F423 AromaticContact CD1-CD2 3.45Å; Y327-F423 HydrophobicContact CD1-CD2 3.45Å; Y327-F423 VanDerWaalsContact CD1-CD2 3.45Å; Y327-F423 HydrophobicContact CD1-CE1 4.42Å; Y327-F423 HydrophobicContact CD1-CE2 4.03Å; Y327-F423 AromaticContact CD1-CG 3.37Å; Y327-F423 HydrophobicContact CD1-CG 3.37Å; Y327-F423 HydrophobicContact CD1-CZ 4.48Å; Y327-F423 HydrophobicContact CD2-CD2 4.41Å; Y327-F423 HydrophobicContact CD2-CE2 4.38Å; Y327-F423 HydrophobicContact CE1-CB 3.74Å; Y327-F423 AromaticContact CE1-CD2 3.87Å; Y327-F423 HydrophobicContact CE1-CD2 3.87Å; Y327-F423 AromaticContact CE1-CG 3.92Å; Y327-F423 HydrophobicContact CE1-CG 3.92Å; Y327-F423 HydrophobicContact CG-CD1 4.34Å; Y327-F423 AromaticContact CG-CD2 3.76Å; Y327-F423 HydrophobicContact CG-CD2 3.76Å; Y327-F423 HydrophobicContact CG-CE1 4.4Å; Y327-F423 AromaticContact CG-CE2 3.85Å; Y327-F423 HydrophobicContact CG-CE2 3.85Å; Y327-F423 HydrophobicContact CG-CG 4.01Å; Y327-F423 HydrophobicContact CG-CZ 4.17Å; Y327-L487 HydrophobicContact CE1-CD1 4.27Å; Y327-L487 HydrophobicContact CE1-CD2 4.23Å; Y327-L487 HydrophobicContact CE2-CD2 4.45Å
328L98.1Very high97.1Very high2 Ų234.3 Ų34.31%0.0116%0.159CC..Hα-helixtrans-63.5-36177.1-71.6164.5000113A324 V325 T326 H331 V335 Q336 I339 L467 L471A324-L328 WeakPolarHBondContact O-CB 3.23Å; A324-L328 WeakPolarHBondContact O-CD1 3.4Å; A324-L328 WeakPolarHBondContact O-CG 3.29Å; A324-L328 PolarHBondContact O-N 3.16Å; V325-L328 PolarHBondContact O-N 2.79Å; T326-L328 VanDerWaalsContact C-N 3.35Å; T326-L328 PolarHBondContact O-N 2.96Å; L328-H331 CarbonylContact O-C 3.15Å; L328-H331 PolarHBondContact O-N 2.91Å; L328-V335 HydrophobicContact CD2-CG1 3.98Å; L328-Q336 HydrophobicContact CB-CG 4.34Å; L328-Q336 HydrophobicContact CD2-CB 4.16Å; L328-Q336 HydrophobicContact CD2-CG 4.13Å; L328-Q336 PolarHBondContact O-NE2 2.87Å; L328-I339 HydrophobicContact CD2-CD1 3.7Å; L328-L467 HydrophobicContact CD1-CD2 4.17Å; L328-L471 HydrophobicContact CD1-CD1 3.99Å; L328-L471 HydrophobicContact CD1-CD2 4.24Å; L328-L471 HydrophobicContact CD2-CD1 4.24Å
329I95.8Very high97.2Very high9 Ų934.3 Ų34.35%0.04616%0.159CC..Hα-helixtrans-82.3-21.2176.967.2-179.5000113.3V325 T326 Y327 H331 L476 V478 L484 P485 V502V325-I329 WeakPolarHBondContact O-CG1 3.33Å; V325-I329 PolarHBondContact O-N 2.84Å; V325-I329 VanDerWaalsContact O-N 3.1Å; T326-I329 WeakPolarHBondContact O-CG1 3.46Å; T326-I329 PolarHBondContact O-N 3.11Å; Y327-I329 VanDerWaalsContact C-N 3.33Å; Y327-I329 PolarHBondContact O-N 2.85Å; I329-H331 VanDerWaalsContact C-N 3.34Å; I329-L476 HydrophobicContact CG2-CB 3.72Å; I329-V478 HydrophobicContact CD1-CG2 4.06Å; I329-V478 HydrophobicContact CG1-CG2 4.48Å; I329-L484 HydrophobicContact CG1-CD2 4.5Å; I329-L484 WeakPolarHBondContact O-CD2 3.35Å; I329-P485 HydrophobicContact CD1-CG 3.68Å; I329-V502 HydrophobicContact CD1-CG2 4.17Å; I329-V502 HydrophobicContact CG2-CG1 4.37Å
330H97.1Very high97.3Very high50 Ų5035 Ų3523%0.23116%0.162CC..Hα-helixtrans-74-26.5167.6-88.1-98.9000112.2T326 Y327 P332 P485T326-H330 PolarHBondContact O-CD2 2.89Å; T326-H330 VanDerWaalsContact O-CD2 3.24Å; T326-H330 PolarHBondContact O-N 3.46Å; T326-H330 VanDerWaalsContact O-N 3.16Å; Y327-H330 PolarHBondContact O-N 3.33Å; H330-P332 VanDerWaalsContact C-CD 3.4Å; H330-P332 WeakPolarHBondContact O-CD 3.3Å; H330-P485 PolarHBondContact NE2-O 2.93Å
331H97.6Very high97.2Very high33 Ų3338.5 Ų38.515%0.15318%0.18CC..SBendtrans-125.957.7-177.6-59.8-86.8000113.1Y327 L328 I329 D333 V335 Q336 F423Y327-H331 PolarHBondContact O-CD2 3.45Å; Y327-H331 VanDerWaalsContact O-CD2 3.27Å; Y327-H331 PolarHBondContact O-N 3.45Å; L328-H331 CarbonylContact O-C 3.15Å; L328-H331 PolarHBondContact O-N 2.91Å; I329-H331 VanDerWaalsContact C-N 3.34Å; H331-D333 PolarHBondContact O-N 3.29Å; H331-V335 HydrophobicContact CB-CB 3.96Å; H331-V335 HydrophobicContact CB-CG2 3.75Å; H331-V335 PolarHBondContact O-N 3.02Å; H331-V335 VanDerWaalsContact O-N 3.11Å; H331-Q336 PolarHBondContact O-N 2.96Å; H331-Q336 VanDerWaalsContact O-N 3.16Å; H331-F423 AromaticContact CD2-CD1 3.64Å; H331-F423 AromaticContact NE2-CD1 3.97Å
332P94.8Very high97.2Very high55 Ų5539.7 Ų39.736%0.35719%0.186SC..Iπ-helixtrans-62-47.1-173.624.7-33.5000112.8H330 Q336 R337H330-P332 VanDerWaalsContact C-CD 3.4Å; H330-P332 WeakPolarHBondContact O-CD 3.3Å; P332-Q336 VanDerWaalsContact O-CB 3.31Å; P332-Q336 WeakPolarHBondContact O-CB 3.48Å; P332-Q336 PolarHBondContact O-N 3.32Å; P332-R337 PolarHBondContact O-N 3.32Å
333D92.5Very high97.2Very high119 Ų11937.8 Ų37.864%0.63618%0.177SC*.Iπ-helixtrans-81.1-34.5-174.2-61.9-52.5000113.6H331H331-D333 PolarHBondContact O-N 3.29Å
334Q93.4Very high97.2Very high129 Ų12941.1 Ų41.160%0.60320%0.195SC*.Iπ-helixtrans-87.5-36-172.2-66.2167.7-2.900112.7Y363Q334-Y363 PolarHBondContact O-OH 3.04Å
335V98.3Very high97.1Very high4 Ų446.3 Ų46.32%0.02423%0.227CC..Iπ-helixtrans-112.5-56.8-174.4-179.50000110.6L328 H331 R337 R338 I339 Y363 T367 F423 P425L328-V335 HydrophobicContact CD2-CG1 3.98Å; H331-V335 HydrophobicContact CB-CB 3.96Å; H331-V335 HydrophobicContact CB-CG2 3.75Å; H331-V335 PolarHBondContact O-N 3.02Å; H331-V335 VanDerWaalsContact O-N 3.11Å; V335-R337 PolarHBondContact O-N 2.76Å; V335-R338 PolarHBondContact O-N 3.45Å; V335-I339 HydrophobicContact CG1-CD1 3.93Å; V335-I339 WeakPolarHBondContact O-CG1 3.29Å; V335-I339 PolarHBondContact O-N 3.2Å; V335-Y363 HydrophobicContact CG1-CE1 4.21Å; V335-T367 HydrophobicContact CG1-CG2 3.84Å; V335-F423 HydrophobicContact CG1-CE1 4.14Å; V335-F423 HydrophobicContact CG2-CD1 4.27Å; V335-F423 HydrophobicContact CG2-CE1 4.02Å; V335-P425 HydrophobicContact CG1-CG 4.01Å; V335-P425 HydrophobicContact CG2-CG 4.01Å
336Q98.4Very high97.1Very high2 Ų252.1 Ų52.11%0.00925%0.252CS..Iπ-helixtrans-62.3-47.9-172.5-158.3-174.914500111.9L328 H331 P332 R338 I339 Q340 L471 L476L328-Q336 HydrophobicContact CB-CG 4.34Å; L328-Q336 HydrophobicContact CD2-CB 4.16Å; L328-Q336 HydrophobicContact CD2-CG 4.13Å; L328-Q336 PolarHBondContact O-NE2 2.87Å; H331-Q336 PolarHBondContact O-N 2.96Å; H331-Q336 VanDerWaalsContact O-N 3.16Å; P332-Q336 VanDerWaalsContact O-CB 3.31Å; P332-Q336 WeakPolarHBondContact O-CB 3.48Å; P332-Q336 PolarHBondContact O-N 3.32Å; Q336-R338 VanDerWaalsContact C-N 3.35Å; Q336-R338 PolarHBondContact O-N 3.36Å; Q336-I339 PolarHBondContact O-N 2.69Å; Q336-Q340 WeakPolarHBondContact O-CG 3.42Å; Q336-Q340 PolarHBondContact O-N 3.41Å; Q336-L471 HydrophobicContact CG-CD2 3.63Å; Q336-L476 PolarHBondContact NE2-O 3.26Å; Q336-L476 PolarHBondContact OE1-O 3.27Å
337R97.9Very high97.1Very high145 Ų14552.9 Ų52.955%0.54726%0.256SS..Hα-helixtrans-60.8-40.9176-172.3173.9-173.8158.32.6112.8P332 V335 I339 Q340 D341P332-R337 PolarHBondContact O-N 3.32Å; V335-R337 PolarHBondContact O-N 2.76Å; R337-I339 PolarHBondContact O-N 3.38Å; R337-Q340 WeakPolarHBondContact O-CB 3.33Å; R337-Q340 PolarHBondContact O-N 2.78Å; R337-Q340 VanDerWaalsContact O-N 3.14Å; R337-D341 VanDerWaalsContact O-CG 3.27Å; R337-D341 PolarHBondContact O-N 2.76Å
338R97.9Very high96.9Very high113 Ų11353.6 Ų53.643%0.42627%0.265SS..Hα-helixtrans-67-35.5179.4-177.2169.4169-168.43.2112.7V335 Q336 E342 Y363V335-R338 PolarHBondContact O-N 3.45Å; Q336-R338 VanDerWaalsContact C-N 3.35Å; Q336-R338 PolarHBondContact O-N 3.36Å; R338-E342 WeakPolarHBondContact O-CB 3.34Å; R338-E342 PolarHBondContact O-N 2.69Å; R338-E342 VanDerWaalsContact O-N 3.08Å; R338-Y363 HydrophobicContact CB-CD1 3.99Å; R338-Y363 HydrophobicContact CB-CE1 3.58Å; R338-Y363 HydrophobicContact CG-CD1 3.61Å; R338-Y363 HydrophobicContact CG-CD2 4.4Å; R338-Y363 HydrophobicContact CG-CE1 3.53Å; R338-Y363 HydrophobicContact CG-CE2 4.35Å; R338-Y363 HydrophobicContact CG-CG 4.05Å; R338-Y363 VanDerWaalsContact CZ-CD2 3.44Å
339I98.6Very high96.6Very high0 Ų056.5 Ų56.50%029%0.289CS..Hα-helixtrans-65.2-42.7170.9-64.4167.2000110.5L328 V335 Q336 R337 E342 L343 Y363 L364 T367 L471L328-I339 HydrophobicContact CD2-CD1 3.7Å; V335-I339 HydrophobicContact CG1-CD1 3.93Å; V335-I339 WeakPolarHBondContact O-CG1 3.29Å; V335-I339 PolarHBondContact O-N 3.2Å; Q336-I339 PolarHBondContact O-N 2.69Å; R337-I339 PolarHBondContact O-N 3.38Å; I339-E342 WeakPolarHBondContact O-CB 3.19Å; I339-E342 PolarHBondContact O-N 2.91Å; I339-L343 HydrophobicContact CG2-CD1 3.9Å; I339-L343 HydrophobicContact CG2-CG 4.34Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.47Å; I339-L343 PolarHBondContact O-N 2.9Å; I339-Y363 HydrophobicContact CG1-CD1 3.59Å; I339-Y363 HydrophobicContact CG1-CE1 4.01Å; I339-L364 HydrophobicContact CD1-CD1 4.29Å; I339-L364 HydrophobicContact CG2-CB 4.16Å; I339-L364 HydrophobicContact CG2-CD1 4.1Å; I339-T367 HydrophobicContact CD1-CG2 3.97Å; I339-L471 HydrophobicContact CB-CD1 4.21Å; I339-L471 HydrophobicContact CD1-CD1 3.91Å; I339-L471 HydrophobicContact CG2-CB 4.33Å; I339-L471 HydrophobicContact CG2-CD1 3.6Å
340Q98.5Very high96.3Very high15 Ų1563.8 Ų63.87%0.0733%0.328CS..Hα-helixtrans-61.6-45.2177.9-75.6174.5-4.100112Q336 R337 E342 L343 D344 L471 F474 T475Q336-Q340 WeakPolarHBondContact O-CG 3.42Å; Q336-Q340 PolarHBondContact O-N 3.41Å; R337-Q340 WeakPolarHBondContact O-CB 3.33Å; R337-Q340 PolarHBondContact O-N 2.78Å; R337-Q340 VanDerWaalsContact O-N 3.14Å; Q340-E342 VanDerWaalsContact C-N 3.31Å; Q340-E342 PolarHBondContact O-N 3.08Å; Q340-L343 PolarHBondContact O-N 3.13Å; Q340-D344 PolarHBondContact O-N 3.08Å; Q340-L471 WeakPolarHBondContact CG-O 3.24Å; Q340-F474 PolarHBondContact NE2-O 3.49Å; Q340-T475 PolarHBondContact NE2-OG1 3.41Å; Q340-T475 VanDerWaalsContact NE2-OG1 3.12Å
341D97.6Very high96.2Very high81 Ų8165.3 Ų65.343%0.43333%0.332SS..Hα-helixtrans-62.3-38.8175.8-65.4-22.8000111.6R337 T345R337-D341 VanDerWaalsContact O-CG 3.27Å; R337-D341 PolarHBondContact O-N 2.76Å; D341-T345 WeakPolarHBondContact O-CB 3.27Å; D341-T345 PolarHBondContact O-N 3.48Å; D341-T345 PolarHBondContact O-OG1 2.98Å
342E97.8Very high96.2Very high26 Ų2664.9 Ų64.912%0.12133%0.333CS..Hα-helixtrans-62.4-46.7174.1-174-177.9-118.500111.4R338 I339 Q340 T345 K346 L361 P362 Y363 L364R338-E342 WeakPolarHBondContact O-CB 3.34Å; R338-E342 PolarHBondContact O-N 2.69Å; R338-E342 VanDerWaalsContact O-N 3.08Å; I339-E342 WeakPolarHBondContact O-CB 3.19Å; I339-E342 PolarHBondContact O-N 2.91Å; Q340-E342 VanDerWaalsContact C-N 3.31Å; Q340-E342 PolarHBondContact O-N 3.08Å; E342-T345 PolarHBondContact O-N 3.05Å; E342-K346 HydrophobicContact CG-CG 4.43Å; E342-K346 WeakPolarHBondContact O-CB 3.2Å; E342-K346 VanDerWaalsContact O-CG 3.27Å; E342-K346 WeakPolarHBondContact O-CG 3.32Å; E342-K346 PolarHBondContact O-N 3.29Å; E342-L361 HydrophobicContact CG-CD2 3.73Å; E342-L361 WeakPolarHBondContact OE2-CA 3.34Å; E342-P362 WeakPolarHBondContact OE1-CD 3.37Å; E342-P362 WeakPolarHBondContact OE1-CG 3.35Å; E342-Y363 VanDerWaalsContact OE1-CB 3.25Å; E342-Y363 WeakPolarHBondContact OE1-CB 3.42Å; E342-Y363 PolarHBondContact OE1-N 3.18Å; E342-Y363 PolarHBondContact OE2-N 2.7Å; E342-L364 PolarHBondContact OE2-N 3.3Å
343L98.3Very high96.3Very high0 Ų062.3 Ų62.30%032%0.316CS..Hα-helixtrans-61.9-44.7176.7-73166.9000111.8I339 Q340 T345 I347 G348 P353 L361 L471 Q472I339-L343 HydrophobicContact CG2-CD1 3.9Å; I339-L343 HydrophobicContact CG2-CG 4.34Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.47Å; I339-L343 PolarHBondContact O-N 2.9Å; Q340-L343 PolarHBondContact O-N 3.13Å; L343-T345 VanDerWaalsContact C-N 3.32Å; L343-T345 PolarHBondContact O-N 2.82Å; L343-I347 HydrophobicContact CD2-CD1 3.94Å; L343-I347 WeakPolarHBondContact O-CA 3.38Å; L343-I347 WeakPolarHBondContact O-CB 3.35Å; L343-I347 PolarHBondContact O-N 3.41Å; L343-G348 PolarHBondContact O-N 2.85Å; L343-P353 HydrophobicContact CD2-CG 4.42Å; L343-L361 HydrophobicContact CD2-CD1 3.54Å; L343-L361 HydrophobicContact CD2-CD2 4.07Å; L343-L361 HydrophobicContact CD2-CG 4.5Å; L343-L471 HydrophobicContact CD1-CB 3.84Å; L343-Q472 HydrophobicContact CD1-CB 4.34Å
344D97.6Very high96.5Very high71 Ų7161.4 Ų61.438%0.3830%0.304SS..Hα-helixtrans-63.2-41.1179.5-68.2-6.5000111.3Q340 G348 R507Q340-D344 PolarHBondContact O-N 3.08Å; D344-G348 VanDerWaalsContact O-CA 3.29Å; D344-G348 WeakPolarHBondContact O-CA 3.41Å; D344-G348 PolarHBondContact O-N 2.9Å; D344-R507 IonicContact OD1-CZ 3.39Å; D344-R507 IonicContact OD1-NH1 2.8Å; D344-R507 PolarHBondContact OD1-NH1 3.42Å; D344-R507 IonicContact OD1-NH2 3.06Å; D344-R507 PolarHBondContact OD1-NH2 3.14Å; D344-R507 IonicContact OD2-CZ 3.71Å; D344-R507 IonicContact OD2-NH1 3.89Å; D344-R507 IonicContact OD2-NH2 2.66Å; D344-R507 PolarHBondContact OD2-NH2 3.48Å
345T96.8Very high96.6Very high112 Ų11256.8 Ų56.869%0.68728%0.283SS*.Hα-helixtrans-72.3-40-178.4-57.20000112.5D341 E342 L343D341-T345 WeakPolarHBondContact O-CB 3.27Å; D341-T345 PolarHBondContact O-N 3.48Å; D341-T345 PolarHBondContact O-OG1 2.98Å; E342-T345 PolarHBondContact O-N 3.05Å; L343-T345 VanDerWaalsContact C-N 3.32Å; L343-T345 PolarHBondContact O-N 2.82Å
346K97.3Very high96.5Very high123 Ų12365.7 Ų65.754%0.53532%0.316SS..Hα-helixtrans-95.8-27.6-170.6-59.8-64.3-174.3-177.50113.7E342 L361E342-K346 HydrophobicContact CG-CG 4.43Å; E342-K346 WeakPolarHBondContact O-CB 3.2Å; E342-K346 VanDerWaalsContact O-CG 3.27Å; E342-K346 WeakPolarHBondContact O-CG 3.32Å; E342-K346 PolarHBondContact O-N 3.29Å; K346-L361 HydrophobicContact CB-CD2 3.95Å; K346-L361 HydrophobicContact CG-CD2 4.27Å
347I96.8Very high96.4Very high17 Ų1766 Ų669%0.08732%0.318CS..THydrogen-bonded Turntrans-119.3-43.6-176.1-58.2-176.9000110.8L343 R351 P353 D357 L361L343-I347 HydrophobicContact CD2-CD1 3.94Å; L343-I347 WeakPolarHBondContact O-CA 3.38Å; L343-I347 WeakPolarHBondContact O-CB 3.35Å; L343-I347 PolarHBondContact O-N 3.41Å; I347-R351 HydrophobicContact CG2-CG 4.07Å; I347-P353 HydrophobicContact CD1-CB 3.84Å; I347-P353 HydrophobicContact CD1-CG 3.94Å; I347-D357 HydrophobicContact CD1-CB 3.85Å; I347-D357 HydrophobicContact CG1-CB 4.39Å; I347-L361 HydrophobicContact CD1-CD1 3.86Å; I347-L361 HydrophobicContact CD1-CD2 4.42Å; I347-L361 HydrophobicContact CD1-CG 4.5Å
348G94.1Very high96.3Very high20 Ų2062.6 Ų62.621%0.20631%0.305CS..  trans73.9-159.7-175.200000113.1L343 D344 Q472L343-G348 PolarHBondContact O-N 2.85Å; D344-G348 VanDerWaalsContact O-CA 3.29Å; D344-G348 WeakPolarHBondContact O-CA 3.41Å; D344-G348 PolarHBondContact O-N 2.9Å; G348-Q472 PolarHBondContact O-NE2 3.45Å
349A91.3Very high96.1Very high62 Ų6260.9 Ų60.951%0.51232%0.322SS..SBendtrans-104.3-9.6-17600000114.4R351 W510A349-R351 VanDerWaalsContact C-N 3.31Å; A349-R351 PolarHBondContact O-N 3.28Å; A349-W510 HydrophobicContact CB-CZ2 4.32Å
350D90.8Very high96Very high162 Ų16262.9 Ų62.987%0.86634%0.336SS*.SBendtrans-76.9-17.7-173-64.1-40.4000113.7
351R94.7Very high96Very high82 Ų8262.2 Ų62.231%0.30933%0.333SS..SBendtrans-146.8155178.766.8177.4-173.686-5111.7I347 A349 D357 Q472I347-R351 HydrophobicContact CG2-CG 4.07Å; A349-R351 VanDerWaalsContact C-N 3.31Å; A349-R351 PolarHBondContact O-N 3.28Å; R351-D357 IonicContact CZ-OD1 3.52Å; R351-D357 IonicContact CZ-OD2 3.32Å; R351-D357 IonicContact NH1-OD1 3.87Å; R351-D357 PolarHBondContact NH1-OD1 3.15Å; R351-D357 IonicContact NH1-OD2 3.22Å; R351-D357 PolarHBondContact NH1-OD2 2.9Å; R351-D357 IonicContact NH2-OD1 3.88Å; R351-D357 PolarHBondContact NH2-OD1 3.38Å; R351-D357 IonicContact NH2-OD2 2.73Å; R351-D357 PolarHBondContact NH2-OD2 3.34Å; R351-Q472 PolarHBondContact O-NE2 2.89Å
352S96.6Very high96Very high25 Ų2558.9 Ų58.918%0.17532%0.316CS..  trans-74.6156.8169.5-57.70000112.5W469 R473S352-W469 VanDerWaalsContact OG-CH2 3.3Å; S352-W469 WeakPolarHBondContact OG-CH2 3.26Å; S352-R473 PolarHBondContact OG-NH2 3.13Å
353P97.8Very high96Very high0 Ų058.2 Ų58.20%031%0.313CS..  trans-60145.7171.8-24.233.5000113L343 I347 S468 W469 Q472L343-P353 HydrophobicContact CD2-CG 4.42Å; I347-P353 HydrophobicContact CD1-CB 3.84Å; I347-P353 HydrophobicContact CD1-CG 3.94Å; P353-S468 WeakPolarHBondContact CB-OG 3.38Å; P353-W469 PolarHBondContact O-NE1 3.03Å; P353-Q472 VanDerWaalsContact CD-OE1 3.23Å
354R97.1Very high96.1Very high101 Ų10158.3 Ų58.338%0.38131%0.313SS..  trans-130159.4179.1-66.9-64.8-173.4174.52109.4E150 R356 D357 F464E150-R354 VanDerWaalsContact OE1-CA 3.27Å; E150-R354 WeakPolarHBondContact OE1-CA 3.26Å; E150-R354 VanDerWaalsContact OE1-CB 3.24Å; E150-R354 WeakPolarHBondContact OE1-CB 3.44Å; E150-R354 VanDerWaalsContact OE1-CD 3.26Å; E150-R354 WeakPolarHBondContact OE1-CD 3.24Å; R354-R356 HydrophobicContact CB-CG 3.95Å; R354-R356 PolarHBondContact O-N 3.24Å; R354-R356 VanDerWaalsContact O-N 3.17Å; R354-D357 PolarHBondContact N-OD2 3.14Å; R354-D357 VanDerWaalsContact O-CB 3.28Å; R354-D357 WeakPolarHBondContact O-CB 3.4Å; R354-D357 PolarHBondContact O-N 3.06Å; R354-F464 WeakPolarHBondContact O-CE1 3.5Å
355L94.9Very high96.1Very high31 Ų3155.1 Ų55.116%0.16230%0.296CS..G310 helixtrans-61.2-29.9-178-173.862.7000112.3E150 D357 R358 M461 F464E150-L355 HydrophobicContact CG-CB 4.11Å; E150-L355 PolarHBondContact OE1-N 3.43Å; L355-D357 PolarHBondContact O-N 2.99Å; L355-R358 WeakPolarHBondContact O-CB 3.45Å; L355-R358 PolarHBondContact O-N 3.17Å; L355-R358 VanDerWaalsContact O-N 3.17Å; L355-M461 HydrophobicContact CD1-CB 4.34Å; L355-M461 HydrophobicContact CD1-CG 3.86Å; L355-M461 HydrophobicContact CD2-CE 3.86Å; L355-M461 HydrophobicContact CD2-CG 3.9Å; L355-M461 HydrophobicContact CD2-SD 3.92Å; L355-F464 HydrophobicContact CD1-CD1 4.29Å
356R95.3Very high96.2Very high192 Ų19249.8 Ų49.873%0.72526%0.263SS*.G310 helixtrans-60.9-23.8173.169.3-178.8-178.5-170.3-0.5114R354 R358R354-R356 HydrophobicContact CB-CG 3.95Å; R354-R356 PolarHBondContact O-N 3.24Å; R354-R356 VanDerWaalsContact O-N 3.17Å; R356-R358 PolarHBondContact O-N 2.92Å
357D97Very high96.3Very high9 Ų944 Ų445%0.04824%0.238CC..G310 helixtrans-77.7-12-179.3-55.3-40.7000112I347 R351 R354 L355 G359 S360 L361 F464I347-D357 HydrophobicContact CD1-CB 3.85Å; I347-D357 HydrophobicContact CG1-CB 4.39Å; R351-D357 IonicContact CZ-OD1 3.52Å; R351-D357 IonicContact CZ-OD2 3.32Å; R351-D357 IonicContact NH1-OD1 3.87Å; R351-D357 PolarHBondContact NH1-OD1 3.15Å; R351-D357 IonicContact NH1-OD2 3.22Å; R351-D357 PolarHBondContact NH1-OD2 2.9Å; R351-D357 IonicContact NH2-OD1 3.88Å; R351-D357 PolarHBondContact NH2-OD1 3.38Å; R351-D357 IonicContact NH2-OD2 2.73Å; R351-D357 PolarHBondContact NH2-OD2 3.34Å; R354-D357 PolarHBondContact N-OD2 3.14Å; R354-D357 VanDerWaalsContact O-CB 3.28Å; R354-D357 WeakPolarHBondContact O-CB 3.4Å; R354-D357 PolarHBondContact O-N 3.06Å; L355-D357 PolarHBondContact O-N 2.99Å; D357-G359 VanDerWaalsContact C-N 3.29Å; D357-G359 PolarHBondContact O-N 3.47Å; D357-S360 WeakPolarHBondContact O-CA 3.47Å; D357-S360 WeakPolarHBondContact O-CB 3.27Å; D357-S360 PolarHBondContact O-N 3.02Å; D357-S360 PolarHBondContact O-OG 2.85Å; D357-L361 PolarHBondContact O-N 3.22Å; D357-F464 HydrophobicContact CB-CZ 4.42Å
358R95.4Very high96.4Very high72 Ų7243.5 Ų43.527%0.27224%0.236SC..G310 helixtrans-53.6-41.4-174.8-169.7177.8-175.6-138-10.9114.2L355 R356 S360 L361 E365 F464L355-R358 WeakPolarHBondContact O-CB 3.45Å; L355-R358 PolarHBondContact O-N 3.17Å; L355-R358 VanDerWaalsContact O-N 3.17Å; R356-R358 PolarHBondContact O-N 2.92Å; R358-S360 PolarHBondContact O-N 3.27Å; R358-L361 PolarHBondContact O-N 2.84Å; R358-E365 WeakPolarHBondContact CD-OE1 3.46Å; R358-E365 HydrophobicContact CG-CG 4.01Å; R358-E365 WeakPolarHBondContact CG-OE1 3.48Å; R358-E365 IonicContact CZ-OE1 3.39Å; R358-E365 IonicContact CZ-OE2 2.77Å; R358-E365 VanDerWaalsContact NE-CD 3.27Å; R358-E365 IonicContact NE-OE1 3.82Å; R358-E365 PolarHBondContact NE-OE1 2.73Å; R358-E365 IonicContact NE-OE2 2.73Å; R358-E365 PolarHBondContact NE-OE2 2.8Å; R358-E365 IonicContact NH2-OE1 2.86Å; R358-E365 IonicContact NH2-OE2 3.71Å; R358-E365 PolarHBondContact NH2-OE2 2.96Å; R358-F464 HydrophobicContact CB-CD1 4.27Å; R358-F464 HydrophobicContact CB-CD2 4.42Å; R358-F464 HydrophobicContact CB-CE1 3.92Å; R358-F464 HydrophobicContact CB-CE2 4.04Å; R358-F464 HydrophobicContact CB-CZ 3.78Å; R358-F464 HydrophobicContact CG-CD1 4.37Å; R358-F464 HydrophobicContact CG-CD2 3.99Å; R358-F464 HydrophobicContact CG-CE1 4.42Å; R358-F464 HydrophobicContact CG-CE2 4Å; R358-F464 HydrophobicContact CG-CG 4.15Å; R358-F464 HydrophobicContact CG-CZ 4.23Å
359G94Very high96.6Very high77 Ų7745.2 Ų45.279%0.79424%0.236SC*.G310 helixtrans-69.6-15.2177.600000114.1D357D357-G359 VanDerWaalsContact C-N 3.29Å; D357-G359 PolarHBondContact O-N 3.47Å
360S96.4Very high97Very high43 Ų4342.3 Ų42.330%0.30121%0.211SC..G310 helixtrans-101.5-2.8-178.670.20000114.3D357 R358 P362D357-S360 WeakPolarHBondContact O-CA 3.47Å; D357-S360 WeakPolarHBondContact O-CB 3.27Å; D357-S360 PolarHBondContact O-N 3.02Å; D357-S360 PolarHBondContact O-OG 2.85Å; R358-S360 PolarHBondContact O-N 3.27Å; S360-P362 VanDerWaalsContact O-CD 3.24Å; S360-P362 WeakPolarHBondContact O-CD 3.45Å
361L98.1Very high97.3Very high0 Ų034.7 Ų34.70%017%0.171CC..  trans-11760.3178.8-59.8-179.6000111.3E342 L343 K346 I347 D357 R358 Y363 L364 E365 F464E342-L361 HydrophobicContact CG-CD2 3.73Å; E342-L361 WeakPolarHBondContact OE2-CA 3.34Å; L343-L361 HydrophobicContact CD2-CD1 3.54Å; L343-L361 HydrophobicContact CD2-CD2 4.07Å; L343-L361 HydrophobicContact CD2-CG 4.5Å; K346-L361 HydrophobicContact CB-CD2 3.95Å; K346-L361 HydrophobicContact CG-CD2 4.27Å; I347-L361 HydrophobicContact CD1-CD1 3.86Å; I347-L361 HydrophobicContact CD1-CD2 4.42Å; I347-L361 HydrophobicContact CD1-CG 4.5Å; D357-L361 PolarHBondContact O-N 3.22Å; R358-L361 PolarHBondContact O-N 2.84Å; L361-Y363 VanDerWaalsContact C-N 3.27Å; L361-Y363 PolarHBondContact O-N 3.22Å; L361-L364 HydrophobicContact CB-CB 4.18Å; L361-L364 HydrophobicContact CD1-CD2 4.11Å; L361-L364 PolarHBondContact O-N 2.8Å; L361-E365 PolarHBondContact O-N 3.4Å; L361-E365 VanDerWaalsContact O-N 3.14Å; L361-F464 HydrophobicContact CB-CE2 4.18Å; L361-F464 HydrophobicContact CD1-CE2 3.71Å; L361-F464 HydrophobicContact CD1-CZ 3.75Å; L361-F464 HydrophobicContact CG-CE2 4.47Å
362P98.1Very high97.5Very high12 Ų1231.1 Ų31.18%0.07816%0.158CC..Hα-helixtrans-59.9-33.6-176.426.9-37.4000113E342 S360 E365 A366 L429 T434 L436E342-P362 WeakPolarHBondContact OE1-CD 3.37Å; E342-P362 WeakPolarHBondContact OE1-CG 3.35Å; S360-P362 VanDerWaalsContact O-CD 3.24Å; S360-P362 WeakPolarHBondContact O-CD 3.45Å; P362-E365 PolarHBondContact O-N 3.13Å; P362-A366 WeakPolarHBondContact O-CB 3.43Å; P362-A366 PolarHBondContact O-N 3.26Å; P362-L429 HydrophobicContact CB-CD2 4.04Å; P362-T434 WeakPolarHBondContact CG-O 3.34Å; P362-L436 HydrophobicContact CB-CG 4.4Å; P362-L436 WeakPolarHBondContact O-CD2 3.36Å
363Y98.6Very high97.6Very high12 Ų1230 Ų305%0.04715%0.15CC..Hα-helixtrans-72.8-40.1-178.4-163.4-105.7000112.5Q334 V335 R338 I339 E342 L361 A366 T367 P425 L429Q334-Y363 PolarHBondContact O-OH 3.04Å; V335-Y363 HydrophobicContact CG1-CE1 4.21Å; R338-Y363 HydrophobicContact CB-CD1 3.99Å; R338-Y363 HydrophobicContact CB-CE1 3.58Å; R338-Y363 HydrophobicContact CG-CD1 3.61Å; R338-Y363 HydrophobicContact CG-CD2 4.4Å; R338-Y363 HydrophobicContact CG-CE1 3.53Å; R338-Y363 HydrophobicContact CG-CE2 4.35Å; R338-Y363 HydrophobicContact CG-CG 4.05Å; R338-Y363 VanDerWaalsContact CZ-CD2 3.44Å; I339-Y363 HydrophobicContact CG1-CD1 3.59Å; I339-Y363 HydrophobicContact CG1-CE1 4.01Å; E342-Y363 VanDerWaalsContact OE1-CB 3.25Å; E342-Y363 WeakPolarHBondContact OE1-CB 3.42Å; E342-Y363 PolarHBondContact OE1-N 3.18Å; E342-Y363 PolarHBondContact OE2-N 2.7Å; L361-Y363 VanDerWaalsContact C-N 3.27Å; L361-Y363 PolarHBondContact O-N 3.22Å; Y363-A366 PolarHBondContact O-N 2.96Å; Y363-T367 WeakPolarHBondContact O-CB 3.36Å; Y363-T367 PolarHBondContact O-N 3.26Å; Y363-T367 PolarHBondContact O-OG1 2.92Å; Y363-P425 HydrophobicContact CE2-CB 3.96Å; Y363-L429 HydrophobicContact CD2-CD1 3.76Å; Y363-L429 HydrophobicContact CE2-CD1 4.16Å
364L98.7Very high97.7Very high1 Ų130 Ų301%0.00515%0.15CC..Hα-helixtrans-59.5-46.8170.2175.157.2000111.4I339 E342 L361 A366 T367 I368 F464 L467I339-L364 HydrophobicContact CD1-CD1 4.29Å; I339-L364 HydrophobicContact CG2-CB 4.16Å; I339-L364 HydrophobicContact CG2-CD1 4.1Å; E342-L364 PolarHBondContact OE2-N 3.3Å; L361-L364 HydrophobicContact CB-CB 4.18Å; L361-L364 HydrophobicContact CD1-CD2 4.11Å; L361-L364 PolarHBondContact O-N 2.8Å; L364-A366 PolarHBondContact O-N 3.05Å; L364-T367 WeakPolarHBondContact O-CB 3.49Å; L364-T367 PolarHBondContact O-N 3.39Å; L364-I368 HydrophobicContact CD1-CD1 4.28Å; L364-I368 HydrophobicContact CD1-CG1 4.45Å; L364-I368 HydrophobicContact CG-CD1 4.27Å; L364-I368 WeakPolarHBondContact O-CG1 3.28Å; L364-I368 PolarHBondContact O-N 3.14Å; L364-F464 HydrophobicContact CD2-CD2 3.79Å; L364-F464 HydrophobicContact CD2-CE2 3.78Å; L364-F464 HydrophobicContact CG-CD2 4.33Å; L364-L467 HydrophobicContact CD1-CB 3.98Å; L364-L467 HydrophobicContact CD1-CD1 4.48Å
365E98.5Very high97.7Very high4 Ų426.7 Ų26.72%0.01914%0.137CC..Hα-helixtrans-64.9-39179-77.3-61.8158.100113R358 L361 P362 T367 I368 R369 L436 F464R358-E365 WeakPolarHBondContact CD-OE1 3.46Å; R358-E365 HydrophobicContact CG-CG 4.01Å; R358-E365 WeakPolarHBondContact CG-OE1 3.48Å; R358-E365 IonicContact CZ-OE1 3.39Å; R358-E365 IonicContact CZ-OE2 2.77Å; R358-E365 VanDerWaalsContact NE-CD 3.27Å; R358-E365 IonicContact NE-OE1 3.82Å; R358-E365 PolarHBondContact NE-OE1 2.73Å; R358-E365 IonicContact NE-OE2 2.73Å; R358-E365 PolarHBondContact NE-OE2 2.8Å; R358-E365 IonicContact NH2-OE1 2.86Å; R358-E365 IonicContact NH2-OE2 3.71Å; R358-E365 PolarHBondContact NH2-OE2 2.96Å; L361-E365 PolarHBondContact O-N 3.4Å; L361-E365 VanDerWaalsContact O-N 3.14Å; P362-E365 PolarHBondContact O-N 3.13Å; E365-T367 VanDerWaalsContact C-N 3.28Å; E365-T367 PolarHBondContact O-N 3.02Å; E365-I368 PolarHBondContact O-N 2.93Å; E365-R369 VanDerWaalsContact O-CG 3.31Å; E365-R369 WeakPolarHBondContact O-CG 3.48Å; E365-R369 PolarHBondContact O-N 3.35Å; E365-L436 HydrophobicContact CB-CD1 3.61Å; E365-L436 HydrophobicContact CB-CD2 4.07Å; E365-L436 HydrophobicContact CB-CG 4.42Å; E365-L436 HydrophobicContact CG-CD1 4.29Å; E365-F464 HydrophobicContact CG-CD2 4.39Å; E365-F464 WeakPolarHBondContact OE1-CD2 3.45Å; E365-F464 WeakPolarHBondContact OE1-CG 3.45Å
366A98.8Very high97.9Very high0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-62.5-38.5173.500000111.4P362 Y363 L364 R369 E370 P425 F428 L429 L436P362-A366 WeakPolarHBondContact O-CB 3.43Å; P362-A366 PolarHBondContact O-N 3.26Å; Y363-A366 PolarHBondContact O-N 2.96Å; L364-A366 PolarHBondContact O-N 3.05Å; A366-R369 PolarHBondContact O-N 3.01Å; A366-E370 PolarHBondContact O-N 2.84Å; A366-P425 HydrophobicContact CB-CB 4.33Å; A366-P425 WeakPolarHBondContact CB-O 3.48Å; A366-F428 HydrophobicContact CB-CB 3.89Å; A366-L429 HydrophobicContact CB-CD2 3.81Å; A366-L429 HydrophobicContact CB-CG 4.1Å; A366-L436 HydrophobicContact CB-CD2 3.9Å
367T98.9Very high97.9Very high2 Ų217.3 Ų17.31%0.01210%0.103CC..Hα-helixtrans-64.2-46175.5-57.10000111.3V335 I339 Y363 L364 E365 R369 E370 V371 F423 P425V335-T367 HydrophobicContact CG1-CG2 3.84Å; I339-T367 HydrophobicContact CD1-CG2 3.97Å; Y363-T367 WeakPolarHBondContact O-CB 3.36Å; Y363-T367 PolarHBondContact O-N 3.26Å; Y363-T367 PolarHBondContact O-OG1 2.92Å; L364-T367 WeakPolarHBondContact O-CB 3.49Å; L364-T367 PolarHBondContact O-N 3.39Å; E365-T367 VanDerWaalsContact C-N 3.28Å; E365-T367 PolarHBondContact O-N 3.02Å; T367-R369 VanDerWaalsContact C-N 3.28Å; T367-R369 PolarHBondContact O-N 3.21Å; T367-E370 PolarHBondContact O-N 2.77Å; T367-V371 WeakPolarHBondContact O-CG2 3.35Å; T367-V371 PolarHBondContact O-N 2.91Å; T367-F423 HydrophobicContact CG2-CE1 4.39Å; T367-F423 HydrophobicContact CG2-CZ 3.85Å; T367-P425 HydrophobicContact CG2-CG 4.23Å; T367-P425 WeakPolarHBondContact OG1-CG 3.31Å
368I98.8Very high97.9Very high7 Ų718 Ų184%0.03611%0.109CC..Hα-helixtrans-58.8-42.9175.8-67.4166.4000110.6L364 E365 E370 V371 L372 L463 F464 L467L364-I368 HydrophobicContact CD1-CD1 4.28Å; L364-I368 HydrophobicContact CD1-CG1 4.45Å; L364-I368 HydrophobicContact CG-CD1 4.27Å; L364-I368 WeakPolarHBondContact O-CG1 3.28Å; L364-I368 PolarHBondContact O-N 3.14Å; E365-I368 PolarHBondContact O-N 2.93Å; I368-E370 PolarHBondContact O-N 2.96Å; I368-V371 PolarHBondContact O-N 2.92Å; I368-L372 HydrophobicContact CG2-CD1 4.13Å; I368-L372 WeakPolarHBondContact O-CG 3.42Å; I368-L372 PolarHBondContact O-N 3.45Å; I368-L463 HydrophobicContact CD1-CB 4.27Å; I368-L463 HydrophobicContact CG2-CB 4.13Å; I368-L463 HydrophobicContact CG2-CD1 3.96Å; I368-F464 HydrophobicContact CD1-CB 4.24Å; I368-L467 HydrophobicContact CD1-CD1 4.09Å; I368-L467 HydrophobicContact CG1-CD1 3.65Å
369R98.8Very high98Very high56 Ų5614.6 Ų14.621%0.21110%0.097CC..Hα-helixtrans-62.8-41.9178-71.9173-174.1-153.81112.4E365 A366 T367 L372 R373 F428 L436 T437 Y443E365-R369 VanDerWaalsContact O-CG 3.31Å; E365-R369 WeakPolarHBondContact O-CG 3.48Å; E365-R369 PolarHBondContact O-N 3.35Å; A366-R369 PolarHBondContact O-N 3.01Å; T367-R369 VanDerWaalsContact C-N 3.28Å; T367-R369 PolarHBondContact O-N 3.21Å; R369-L372 PolarHBondContact O-N 3.38Å; R369-R373 PolarHBondContact O-N 3.06Å; R369-F428 HydrophobicContact CB-CB 4.35Å; R369-F428 HydrophobicContact CB-CD1 3.82Å; R369-F428 HydrophobicContact CB-CD2 3.74Å; R369-F428 HydrophobicContact CB-CE1 3.96Å; R369-F428 HydrophobicContact CB-CE2 3.89Å; R369-F428 HydrophobicContact CB-CG 3.7Å; R369-F428 HydrophobicContact CB-CZ 3.99Å; R369-F428 HydrophobicContact CG-CD1 4.36Å; R369-F428 HydrophobicContact CG-CG 4.49Å; R369-L436 VanDerWaalsContact NH2-CD1 3.35Å; R369-T437 PolarHBondContact NH1-O 2.94Å; R369-Y443 WeakPolarHBondContact CA-OH 3.23Å; R369-Y443 WeakPolarHBondContact CB-OH 3.36Å; R369-Y443 HydrophobicContact CG-CE1 4.49Å; R369-Y443 PolarHBondContact O-OH 3.43Å
370E98.8Very high98.1Very high0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-68.2-37.6178-178.465.1175.600112.1A366 T367 I368 L372 R373 I374 F423 D424 R427 F428A366-E370 PolarHBondContact O-N 2.84Å; T367-E370 PolarHBondContact O-N 2.77Å; I368-E370 PolarHBondContact O-N 2.96Å; E370-L372 PolarHBondContact O-N 3.11Å; E370-R373 WeakPolarHBondContact O-CB 3.47Å; E370-R373 PolarHBondContact O-N 2.76Å; E370-R373 VanDerWaalsContact O-N 3.14Å; E370-R373 IonicContact OE1-CZ 3.47Å; E370-R373 IonicContact OE1-NE 3.69Å; E370-R373 PolarHBondContact OE1-NE 3.3Å; E370-R373 IonicContact OE1-NH2 3.74Å; E370-R373 PolarHBondContact OE1-NH2 3.1Å; E370-R373 WeakPolarHBondContact OE2-CD 3.39Å; E370-R373 IonicContact OE2-CZ 3.46Å; E370-R373 IonicContact OE2-NE 3.56Å; E370-R373 PolarHBondContact OE2-NE 3.45Å; E370-R373 IonicContact OE2-NH2 3.29Å; E370-I374 WeakPolarHBondContact O-CB 3.39Å; E370-I374 VanDerWaalsContact O-CG2 3.24Å; E370-I374 WeakPolarHBondContact O-CG2 3.32Å; E370-I374 PolarHBondContact O-N 2.98Å; E370-F423 HydrophobicContact CB-CD2 4.39Å; E370-F423 HydrophobicContact CB-CE2 3.96Å; E370-F423 HydrophobicContact CG-CD2 3.44Å; E370-F423 VanDerWaalsContact CG-CD2 3.44Å; E370-F423 HydrophobicContact CG-CE2 3.52Å; E370-F423 HydrophobicContact CG-CG 4.23Å; E370-F423 HydrophobicContact CG-CZ 4.35Å; E370-D424 PolarHBondContact OE1-N 2.95Å; E370-D424 VanDerWaalsContact OE1-N 3.16Å; E370-R427 IonicContact OE1-NE 3.33Å; E370-R427 PolarHBondContact OE1-NE 2.92Å; E370-F428 HydrophobicContact CB-CD2 4.12Å; E370-F428 HydrophobicContact CB-CE2 3.95Å; E370-F428 WeakPolarHBondContact OE2-CE2 3.48Å
371V98.9Very high98.1Very high2 Ų211.4 Ų11.41%0.0126%0.057CC..Hα-helixtrans-59.4-48.6172.1173.80000110.6V320 W323 A324 T367 I368 R373 I374 R375 F423V320-V371 HydrophobicContact CG1-CG1 4.04Å; W323-V371 HydrophobicContact CB-CG1 3.78Å; A324-V371 HydrophobicContact CB-CG1 4.27Å; A324-V371 HydrophobicContact CB-CG2 4.04Å; T367-V371 WeakPolarHBondContact O-CG2 3.35Å; T367-V371 PolarHBondContact O-N 2.91Å; I368-V371 PolarHBondContact O-N 2.92Å; V371-R373 PolarHBondContact O-N 2.99Å; V371-I374 PolarHBondContact O-N 3.17Å; V371-R375 CarbonylContact O-C 3.46Å; V371-R375 PolarHBondContact O-N 3.45Å; V371-F423 HydrophobicContact CG2-CE2 3.72Å; V371-F423 HydrophobicContact CG2-CZ 3.9Å
372L98.8Very high97.9Very high8 Ų813.7 Ų13.74%0.0427%0.069CC..Hα-helixtrans-64.3-26.3177.1-70.4171.2000113V320 I368 R369 E370 P376 P445 F446 L463V320-L372 HydrophobicContact CB-CD2 4.47Å; V320-L372 HydrophobicContact CG1-CD2 3.76Å; V320-L372 HydrophobicContact CG1-CG 4.3Å; V320-L372 HydrophobicContact CG2-CD2 3.8Å; I368-L372 HydrophobicContact CG2-CD1 4.13Å; I368-L372 WeakPolarHBondContact O-CG 3.42Å; I368-L372 PolarHBondContact O-N 3.45Å; R369-L372 PolarHBondContact O-N 3.38Å; E370-L372 PolarHBondContact O-N 3.11Å; L372-P376 WeakPolarHBondContact O-CA 3.42Å; L372-P445 HydrophobicContact CB-CB 3.87Å; L372-P445 HydrophobicContact CD1-CB 4.38Å; L372-F446 HydrophobicContact CD1-CE2 3.86Å; L372-F446 HydrophobicContact CD1-CZ 3.88Å; L372-L463 HydrophobicContact CD1-CD1 4.46Å
373R98.7Very high97.8Very high0 Ų014.9 Ų14.90%08%0.077CC..Hα-helixtrans-74.7-58.4174.8-169.2-153.75978.1-1.3110.8R369 E370 V371 P376 H411 W417 P420 F428 Y443R369-R373 PolarHBondContact O-N 3.06Å; E370-R373 WeakPolarHBondContact O-CB 3.47Å; E370-R373 PolarHBondContact O-N 2.76Å; E370-R373 VanDerWaalsContact O-N 3.14Å; E370-R373 IonicContact OE1-CZ 3.47Å; E370-R373 IonicContact OE1-NE 3.69Å; E370-R373 PolarHBondContact OE1-NE 3.3Å; E370-R373 IonicContact OE1-NH2 3.74Å; E370-R373 PolarHBondContact OE1-NH2 3.1Å; E370-R373 WeakPolarHBondContact OE2-CD 3.39Å; E370-R373 IonicContact OE2-CZ 3.46Å; E370-R373 IonicContact OE2-NE 3.56Å; E370-R373 PolarHBondContact OE2-NE 3.45Å; E370-R373 IonicContact OE2-NH2 3.29Å; V371-R373 PolarHBondContact O-N 2.99Å; R373-P376 WeakPolarHBondContact O-CD 3.48Å; R373-H411 WeakPolarHBondContact CA-ND1 3.37Å; R373-H411 HydrophobicContact CG-CB 3.96Å; R373-H411 PolarHBondContact NH1-O 3.23Å; R373-H411 VanDerWaalsContact O-CB 3.32Å; R373-H411 WeakPolarHBondContact O-CB 3.31Å; R373-H411 PolarHBondContact O-ND1 3.06Å; R373-W417 HydrophobicContact CG-CE3 4.44Å; R373-W417 HydrophobicContact CG-CH2 3.9Å; R373-W417 HydrophobicContact CG-CZ2 4Å; R373-W417 HydrophobicContact CG-CZ3 4.13Å; R373-P420 VanDerWaalsContact CZ-O 3.25Å; R373-P420 PolarHBondContact NH1-O 3.47Å; R373-P420 PolarHBondContact NH2-O 3.16Å; R373-F428 HydrophobicContact CB-CE2 4.42Å; R373-F428 HydrophobicContact CB-CZ 4.19Å; R373-Y443 HydrophobicContact CB-CD2 4.2Å; R373-Y443 HydrophobicContact CB-CE2 3.73Å; R373-Y443 HydrophobicContact CG-CD2 4.18Å; R373-Y443 HydrophobicContact CG-CE2 4.22Å
374I98.6Very high97.8Very high1 Ų114.7 Ų14.71%0.0058%0.076CC..Hα-helixtrans-73.6-32.7-169.3-159.5168.2000112.4Y327 E370 V371 W408 H412 F423Y327-I374 HydrophobicContact CD2-CG2 4.38Å; Y327-I374 HydrophobicContact CE1-CD1 3.9Å; Y327-I374 HydrophobicContact CE1-CG2 4.26Å; Y327-I374 HydrophobicContact CE2-CG2 3.68Å; E370-I374 WeakPolarHBondContact O-CB 3.39Å; E370-I374 VanDerWaalsContact O-CG2 3.24Å; E370-I374 WeakPolarHBondContact O-CG2 3.32Å; E370-I374 PolarHBondContact O-N 2.98Å; V371-I374 PolarHBondContact O-N 3.17Å; I374-W408 WeakPolarHBondContact O-CZ3 3.4Å; I374-H412 PolarHBondContact O-CE1 3.2Å; I374-H412 VanDerWaalsContact O-CE1 3.27Å; I374-H412 PolarHBondContact O-NE2 2.8Å; I374-F423 HydrophobicContact CD1-CB 4.05Å; I374-F423 HydrophobicContact CD1-CD2 4.34Å; I374-F423 HydrophobicContact CG2-CD2 4.03Å; I374-F423 HydrophobicContact CG2-CE2 4.43Å
375R98.3Very high97.8Very high31 Ų3115.6 Ų15.612%0.1178%0.082CC..SBendtrans-126.976173.4-64.1-62.8168.6-169.1-6109.4W323 Y327 V371 V377 L487W323-R375 HydrophobicContact CB-CB 4.39Å; W323-R375 HydrophobicContact CD2-CB 3.8Å; W323-R375 HydrophobicContact CD2-CG 3.66Å; W323-R375 HydrophobicContact CE3-CB 4.36Å; W323-R375 HydrophobicContact CE3-CG 3.72Å; W323-R375 HydrophobicContact CG-CB 3.8Å; W323-R375 HydrophobicContact CG-CG 4.16Å; W323-R375 HydrophobicContact CH2-CG 4.27Å; W323-R375 HydrophobicContact CZ2-CG 4.21Å; W323-R375 HydrophobicContact CZ3-CG 4.03Å; Y327-R375 HydrophobicContact CE2-CG 3.68Å; Y327-R375 PolarHBondContact OH-NE 3.36Å; Y327-R375 VanDerWaalsContact OH-NE 3.15Å; V371-R375 CarbonylContact O-C 3.46Å; V371-R375 PolarHBondContact O-N 3.45Å; R375-V377 PolarHBondContact O-N 2.95Å; R375-L487 PolarHBondContact NE-O 2.91Å; R375-L487 PolarHBondContact NH1-O 3.35Å; R375-L487 PolarHBondContact NH2-O 2.87Å
376P98.1Very high97.8Very high1 Ų115.4 Ų15.41%0.0068%0.081CC..  trans-61.6131.9177.826.3-32000109.4L372 R373 A378 P379 L407 W408L372-P376 WeakPolarHBondContact O-CA 3.42Å; R373-P376 WeakPolarHBondContact O-CD 3.48Å; P376-A378 PolarHBondContact O-N 3.41Å; P376-P379 HydrophobicContact CG-CB 4.1Å; P376-P379 WeakPolarHBondContact O-CD 3.06Å; P376-L407 HydrophobicContact CB-CD2 3.54Å; P376-L407 HydrophobicContact CB-CG 4.05Å; P376-W408 HydrophobicContact CG-CE3 4.17Å
377V96.6Very high97.7Very high25 Ų2518.1 Ų18.115%0.15210%0.095CC..SBendtrans-57.1-37.5-176.867.70000111.9T316 T319 V320 R375 V494 L495T316-V377 HydrophobicContact CG2-CG2 4.11Å; T319-V377 HydrophobicContact CG2-CG2 4.37Å; V320-V377 HydrophobicContact CG2-CB 4.09Å; V320-V377 HydrophobicContact CG2-CG2 4.34Å; R375-V377 PolarHBondContact O-N 2.95Å; V377-V494 HydrophobicContact CG2-CB 4.25Å; V377-V494 HydrophobicContact CG2-CG1 3.94Å; V377-V494 CarbonylContact O-C 3.59Å; V377-V494 WeakPolarHBondContact O-CA 3.49Å; V377-L495 PolarHBondContact O-N 3.24Å
378A95.9Very high97.7Very high23 Ų2320.4 Ų20.419%0.1911%0.111CC..SBendtrans-119.589.5172.300000109.3P376 L380 F381P376-A378 PolarHBondContact O-N 3.41Å; A378-L380 PolarHBondContact O-N 2.79Å; A378-F381 HydrophobicContact CB-CD1 4.45Å
379P96.6Very high97.6Very high1 Ų125.7 Ų25.71%0.00614%0.139CC..SBendtrans-66-27.9-175.725.7-34.6000112.6H57 P376 N406 L407 W408 F491 L495H57-P379 HydrophobicContact CB-CB 3.93Å; H57-P379 HydrophobicContact CB-CG 4.46Å; P376-P379 HydrophobicContact CG-CB 4.1Å; P376-P379 WeakPolarHBondContact O-CD 3.06Å; P379-N406 PolarHBondContact O-OD1 3.45Å; P379-L407 PolarHBondContact O-N 3.21Å; P379-W408 HydrophobicContact CB-CB 3.99Å; P379-W408 HydrophobicContact CB-CE3 4.4Å; P379-W408 PolarHBondContact O-N 2.77Å; P379-F491 HydrophobicContact CG-CD2 3.96Å; P379-F491 HydrophobicContact CG-CE2 3.91Å; P379-L495 HydrophobicContact CG-CB 4Å; P379-L495 HydrophobicContact CG-CD2 4.3Å
380L97Very high97.5Very high28 Ų2824.1 Ų24.115%0.14714%0.138CC..BIsolated β-bridgetrans-109.5127.7159-60.5-177.1000107.3P56 H57 F60 A378 I404 N406 F491P56-L380 HydrophobicContact CB-CD1 4.02Å; H57-L380 HydrophobicContact CB-CD2 3.86Å; H57-L380 HydrophobicContact CB-CG 3.96Å; F60-L380 HydrophobicContact CD2-CD1 3.86Å; F60-L380 HydrophobicContact CD2-CD2 4.02Å; F60-L380 HydrophobicContact CE2-CD1 3.71Å; A378-L380 PolarHBondContact O-N 2.79Å; L380-I404 HydrophobicContact CB-CG2 4.02Å; L380-I404 HydrophobicContact CD1-CG2 4.27Å; L380-I404 HydrophobicContact CD2-CG2 4.04Å; L380-I404 HydrophobicContact CG-CG2 4.33Å; L380-N406 HydrophobicContact CD2-CB 3.88Å; L380-N406 WeakPolarHBondContact CD2-OD1 3.47Å; L380-F491 HydrophobicContact CD1-CE2 4.41Å; L380-F491 HydrophobicContact CD1-CZ 4.09Å; L380-F491 HydrophobicContact CG-CE2 4.4Å
381F95.9Very high97.4Very high25 Ų2526 Ų2611%0.1115%0.152CC..PPolyproline II helixtrans-64.4154.7171.1-71.9-23.5000111.1L93 A378 I405 L407 L444L93-F381 HydrophobicContact CD1-CD2 4.45Å; L93-F381 HydrophobicContact CD1-CE2 4.07Å; A378-F381 HydrophobicContact CB-CD1 4.45Å; F381-I405 HydrophobicContact CB-CB 4.47Å; F381-I405 HydrophobicContact CD2-CB 3.79Å; F381-I405 HydrophobicContact CD2-CD1 4.23Å; F381-I405 HydrophobicContact CD2-CG2 3.84Å; F381-I405 HydrophobicContact CE2-CG2 4.08Å; F381-I405 HydrophobicContact CG-CB 4.48Å; F381-I405 PolarHBondContact N-O 3.06Å; F381-I405 VanDerWaalsContact N-O 3.09Å; F381-L407 HydrophobicContact CD1-CB 4.35Å; F381-L407 HydrophobicContact CD1-CD2 4.36Å; F381-L407 HydrophobicContact CE1-CB 4Å; F381-L407 HydrophobicContact CE1-CD1 4.36Å; F381-L407 HydrophobicContact CE1-CD2 3.42Å; F381-L407 VanDerWaalsContact CE1-CD2 3.42Å; F381-L407 HydrophobicContact CE1-CG 4.12Å; F381-L407 HydrophobicContact CZ-CB 4.15Å; F381-L407 HydrophobicContact CZ-CD1 3.87Å; F381-L407 HydrophobicContact CZ-CD2 3.75Å; F381-L407 HydrophobicContact CZ-CG 4.13Å; F381-L444 WeakPolarHBondContact CZ-O 3.33Å
382I94.7Very high97.3Very high48 Ų4826 Ų2625%0.24615%0.152CC..PPolyproline II helixtrans-51129.6168.5-58.3175.7000107.5R103 A120 F121 H384R103-I382 PolarHBondContact NH1-O 3.46Å; A120-I382 HydrophobicContact CB-CD1 4.06Å; F121-I382 HydrophobicContact CD1-CG2 4.09Å; F121-I382 HydrophobicContact CE1-CD1 4.22Å; F121-I382 HydrophobicContact CE1-CG1 4.47Å; F121-I382 HydrophobicContact CE1-CG2 4.09Å; F121-I382 HydrophobicContact CZ-CD1 4.43Å; I382-H384 PolarHBondContact O-CD2 3Å; I382-H384 VanDerWaalsContact O-CD2 3.29Å; I382-H384 PolarHBondContact O-N 2.93Å
383P95.8Very high97.2Very high38 Ų3826.8 Ų26.825%0.24716%0.162CC..PPolyproline II helixtrans-59.3141.4-173.4-2229.9000112.1R103 P104 I404R103-P383 VanDerWaalsContact CD-O 3.3Å; R103-P383 WeakPolarHBondContact CD-O 3.38Å; R103-P383 PolarHBondContact NH1-O 3.11Å; P104-P383 WeakPolarHBondContact CD-O 3.37Å; P104-P383 HydrophobicContact CG-CB 3.96Å; P104-P383 HydrophobicContact CG-CG 4.31Å; P383-I404 HydrophobicContact CB-CG1 4.03Å; P383-I404 HydrophobicContact CG-CD1 4.34Å; P383-I404 HydrophobicContact CG-CG1 4.09Å
384H98.3Very high96.9Very high8 Ų834.3 Ų34.34%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-94.5150.8172.3-74.5-102.8000109.7F100 G102 R103 I382 R402 V403F100-H384 HydrophobicContact CB-CB 4.44Å; F100-H384 WeakPolarHBondContact O-CB 3.5Å; F100-H384 PolarHBondContact O-ND1 2.89Å; G102-H384 CarbonylContact O-C 3.48Å; G102-H384 WeakPolarHBondContact O-CA 3.24Å; R103-H384 PolarHBondContact NH1-CD2 3.12Å; R103-H384 PolarHBondContact NH1-NE2 3.35Å; I382-H384 PolarHBondContact O-CD2 3Å; I382-H384 VanDerWaalsContact O-CD2 3.29Å; I382-H384 PolarHBondContact O-N 2.93Å; H384-R402 CarbonylContact O-C 3.43Å; H384-R402 VanDerWaalsContact O-CA 3.29Å; H384-R402 WeakPolarHBondContact O-CA 3.28Å; H384-V403 HydrophobicContact CB-CB 4.3Å; H384-V403 PolarHBondContact N-O 2.98Å; H384-V403 PolarHBondContact O-N 3.45Å
385V98.4Very high96.8Very high20 Ų2036.8 Ų36.812%0.12121%0.213CC..EExtended strand (participates in β ladder)trans-119132.4173.6176.40000109.5F100 G102 P104 L387 T401 R402F100-V385 CarbonylContact C-O 3.59Å; G102-V385 WeakPolarHBondContact CA-O 3.48Å; G102-V385 PolarHBondContact N-O 3.49Å; G102-V385 PolarHBondContact O-N 2.99Å; P104-V385 HydrophobicContact CB-CG2 4.01Å; P104-V385 HydrophobicContact CG-CG2 4.48Å; V385-L387 PolarHBondContact O-N 2.92Å; V385-T401 WeakPolarHBondContact CA-O 3.29Å; V385-R402 HydrophobicContact CG2-CG 4.31Å
386A98.4Very high96.6Very high0 Ų040.7 Ų40.70%023%0.23CC..  trans-68.3111.4171.100000110.1F100 S388 V397 K399 G400 T401F100-A386 HydrophobicContact CD1-CB 3.89Å; F100-A386 HydrophobicContact CE1-CB 3.71Å; A386-S388 VanDerWaalsContact C-N 3.31Å; A386-V397 HydrophobicContact CB-CG1 4.21Å; A386-K399 WeakPolarHBondContact O-CA 3.43Å; A386-G400 PolarHBondContact O-N 2.87Å; A386-T401 PolarHBondContact N-O 3.06Å
387L98.3Very high96.5Very high56 Ų5640.9 Ų40.929%0.29323%0.232SC..SBendtrans-76.6-19.9-179.8-62.9176.6000112.9I99 A101 Y124 V385 K399I99-L387 WeakPolarHBondContact O-CB 3.47Å; I99-L387 PolarHBondContact O-N 2.73Å; A101-L387 HydrophobicContact CB-CD1 4.37Å; Y124-L387 HydrophobicContact CD1-CD1 4.04Å; Y124-L387 HydrophobicContact CG-CD1 4.42Å; V385-L387 PolarHBondContact O-N 2.92Å; L387-K399 WeakPolarHBondContact O-CD 3.3Å; L387-K399 VanDerWaalsContact O-CE 3.27Å; L387-K399 WeakPolarHBondContact O-CE 3.38Å; L387-K399 WeakPolarHBondContact O-CG 3.42Å
388S97.9Very high96.4Very high50 Ų5043.5 Ų43.535%0.3524%0.241SC..SBendtrans-141.7166.1172.765.80000110.1A386A386-S388 VanDerWaalsContact C-N 3.31Å
389D97.3Very high96.5Very high118 Ų11849.3 Ų49.363%0.63126%0.262SS*.  trans-58.1141168.6-68.2-13.4000109.9V397 K398 K399D389-V397 WeakPolarHBondContact CA-O 3.34Å; D389-K398 WeakPolarHBondContact OD1-CA 3.49Å; D389-K399 PolarHBondContact OD1-N 3.04Å
390A96.8Very high96.5Very high23 Ų2351.5 Ų51.519%0.1929%0.285CS..EExtended strand (participates in β ladder)trans-156.3-172.6-171.200000111.3I99 F100 V397I99-A390 HydrophobicContact CG2-CB 3.8Å; F100-A390 HydrophobicContact CE2-CB 4.16Å; F100-A390 HydrophobicContact CZ-CB 3.74Å; A390-V397 PolarHBondContact N-O 2.87Å; A390-V397 PolarHBondContact O-N 3.28Å
391S96.8Very high96.5Very high41 Ų4150.4 Ų50.429%0.28728%0.279SS..EExtended strand (participates in β ladder)trans-133.616116767.40000111.7K96 F395K96-S391 WeakPolarHBondContact CD-O 3.15Å; K96-S391 PolarHBondContact NZ-O 2.98Å; K96-S391 PolarHBondContact NZ-OG 3.49Å; S391-F395 CarbonylContact C-O 3.24Å; S391-F395 WeakPolarHBondContact CA-O 3.16Å; S391-F395 WeakPolarHBondContact CB-O 3.17Å
392I96.9Very high96.6Very high1 Ų150.8 Ų50.81%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-131112.2168.1-60.8169.4000106.1V81 H88 I92 F100 D394 F395 V397 V403V81-I392 HydrophobicContact CG1-CD1 4.29Å; H88-I392 HydrophobicContact CB-CG2 3.64Å; I92-I392 HydrophobicContact CD1-CD1 3.76Å; I92-I392 HydrophobicContact CD1-CG1 4.19Å; I92-I392 HydrophobicContact CD1-CG2 4.06Å; I92-I392 HydrophobicContact CG1-CD1 3.87Å; I92-I392 HydrophobicContact CG1-CG1 3.88Å; I92-I392 HydrophobicContact CG1-CG2 4.29Å; F100-I392 HydrophobicContact CE1-CD1 4.27Å; F100-I392 HydrophobicContact CE1-CG1 4.46Å; F100-I392 HydrophobicContact CE2-CG1 4.31Å; F100-I392 HydrophobicContact CZ-CD1 4.09Å; F100-I392 HydrophobicContact CZ-CG1 3.79Å; I392-D394 PolarHBondContact O-N 3.35Å; I392-F395 PolarHBondContact N-O 2.75Å; I392-F395 WeakPolarHBondContact O-CB 3.49Å; I392-F395 PolarHBondContact O-N 2.83Å; I392-V397 HydrophobicContact CB-CG2 4.35Å; I392-V397 HydrophobicContact CD1-CG2 3.73Å; I392-V397 HydrophobicContact CG1-CG2 3.82Å; I392-V403 HydrophobicContact CD1-CG1 4.18Å; I392-V403 HydrophobicContact CD1-CG2 4.29Å
393G95.2Very high96.7Very high25 Ų2548.5 Ų48.526%0.25827%0.268SS..THydrogen-bonded Turntrans53.1-128.6-162.600000110.5E91 F395E91-G393 PolarHBondContact OE2-N 2.78Å; G393-F395 VanDerWaalsContact C-N 3.29Å
394D92.9Very high96.9Very high158 Ų15847.5 Ų47.585%0.84526%0.26SS*.THydrogen-bonded Turntrans-83.6-4.2178.7-55.7-40.8000113.3I392I392-D394 PolarHBondContact O-N 3.35Å
395F96Very high96.9Very high52 Ų5247.1 Ų47.123%0.22826%0.259CS..EExtended strand (participates in β ladder)trans-90.4131.6-175.3-58-55.1000112.6E33 P35 T70 S391 I392 G393E33-F395 CarbonylContact O-C 3.55Å; E33-F395 VanDerWaalsContact O-CA 3.3Å; E33-F395 WeakPolarHBondContact O-CA 3.2Å; P35-F395 VanDerWaalsContact CA-CD1 3.46Å; P35-F395 HydrophobicContact CB-CB 4.16Å; P35-F395 HydrophobicContact CB-CD1 4.02Å; P35-F395 HydrophobicContact CB-CD2 3.96Å; P35-F395 HydrophobicContact CB-CE1 4.41Å; P35-F395 HydrophobicContact CB-CE2 4.34Å; P35-F395 HydrophobicContact CB-CG 3.78Å; P35-F395 HydrophobicContact CG-CB 4.44Å; T70-F395 HydrophobicContact CG2-CD2 4.13Å; T70-F395 HydrophobicContact CG2-CE2 4.38Å; S391-F395 CarbonylContact C-O 3.24Å; S391-F395 WeakPolarHBondContact CA-O 3.16Å; S391-F395 WeakPolarHBondContact CB-O 3.17Å; I392-F395 PolarHBondContact N-O 2.75Å; I392-F395 WeakPolarHBondContact O-CB 3.49Å; I392-F395 PolarHBondContact O-N 2.83Å; G393-F395 VanDerWaalsContact C-N 3.29Å
396K95.4Very high96.9Very high113 Ų11346.1 Ų46.149%0.49125%0.253SS..EExtended strand (participates in β ladder)trans-75.7138.1171.1-71.6-174.9177.2169.40111.4E33E33-K396 HydrophobicContact CB-CD 4.18Å; E33-K396 HydrophobicContact CB-CG 4.2Å; E33-K396 PolarHBondContact O-N 3.4Å; E33-K396 IonicContact OE1-NZ 3.49Å; E33-K396 VanDerWaalsContact OE2-CD 3.25Å; E33-K396 WeakPolarHBondContact OE2-CD 3.2Å; E33-K396 WeakPolarHBondContact OE2-CE 3.14Å; E33-K396 IonicContact OE2-NZ 2.9Å; E33-K396 PolarHBondContact OE2-NZ 3.35Å
397V95.7Very high96.9Very high5 Ų546.2 Ų46.23%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-129.7118.5-179.9-177.50000109.5F100 A386 D389 A390 I392 T401F100-V397 HydrophobicContact CE1-CG1 4.08Å; A386-V397 HydrophobicContact CB-CG1 4.21Å; D389-V397 WeakPolarHBondContact CA-O 3.34Å; A390-V397 PolarHBondContact N-O 2.87Å; A390-V397 PolarHBondContact O-N 3.28Å; I392-V397 HydrophobicContact CB-CG2 4.35Å; I392-V397 HydrophobicContact CD1-CG2 3.73Å; I392-V397 HydrophobicContact CG1-CG2 3.82Å; V397-T401 HydrophobicContact CG1-CG2 3.82Å
398K95.1Very high96.9Very high80 Ų8044.1 Ų44.135%0.34824%0.241SC..  trans-78.2149.5-179.7-63.6176-175.4158.70111.3S29 E34 D389 T401S29-K398 PolarHBondContact O-NZ 3.13Å; S29-K398 PolarHBondContact OG-NZ 3.03Å; E34-K398 VanDerWaalsContact OE1-CE 3.29Å; E34-K398 WeakPolarHBondContact OE1-CE 3.29Å; E34-K398 IonicContact OE1-NZ 3.84Å; E34-K398 PolarHBondContact OE1-NZ 2.8Å; E34-K398 VanDerWaalsContact OE1-NZ 3.09Å; D389-K398 WeakPolarHBondContact OD1-CA 3.49Å; K398-T401 WeakPolarHBondContact O-CB 3.28Å; K398-T401 PolarHBondContact O-N 3.5Å; K398-T401 VanDerWaalsContact O-N 3.13Å; K398-T401 PolarHBondContact O-OG1 3.28Å
399K97.3Very high96.9Very high146 Ų14641.8 Ų41.864%0.63523%0.225SC*.THydrogen-bonded Turntrans-48.3140.1169.8179177177.81790110.9A386 L387 D389 T401A386-K399 WeakPolarHBondContact O-CA 3.43Å; L387-K399 WeakPolarHBondContact O-CD 3.3Å; L387-K399 VanDerWaalsContact O-CE 3.27Å; L387-K399 WeakPolarHBondContact O-CE 3.38Å; L387-K399 WeakPolarHBondContact O-CG 3.42Å; D389-K399 PolarHBondContact OD1-N 3.04Å; K399-T401 PolarHBondContact O-N 3.43Å
400G96.3Very high97Very high47 Ų4736.1 Ų36.149%0.48520%0.195SC..THydrogen-bonded Turntrans82.2-6.8-178.700000114.3A386 R402A386-G400 PolarHBondContact O-N 2.87Å; G400-R402 PolarHBondContact O-N 2.62Å
401T97.1Very high97.1Very high4 Ų435 Ų353%0.02519%0.186CC..  trans-63.5130.3173.3-610000110.2R79 V81 V385 A386 V397 K398 K399 V403R79-T401 HydrophobicContact CG-CG2 4.04Å; V81-T401 HydrophobicContact CB-CG2 4.39Å; V81-T401 HydrophobicContact CG2-CG2 3.65Å; V385-T401 WeakPolarHBondContact CA-O 3.29Å; A386-T401 PolarHBondContact N-O 3.06Å; V397-T401 HydrophobicContact CG1-CG2 3.82Å; K398-T401 WeakPolarHBondContact O-CB 3.28Å; K398-T401 PolarHBondContact O-N 3.5Å; K398-T401 VanDerWaalsContact O-N 3.13Å; K398-T401 PolarHBondContact O-OG1 3.28Å; K399-T401 PolarHBondContact O-N 3.43Å; T401-V403 HydrophobicContact CG2-CG2 4.5Å
402R97.6Very high97.2Very high33 Ų3333.1 Ų33.113%0.12517%0.172CC..EExtended strand (participates in β ladder)trans-80.3135.3171.7-59-179.8-178.4-174.9-3108.8H78 R79 V80 V81 P104 H384 V385 G400H78-R402 VanDerWaalsContact CD2-CZ 3.48Å; H78-R402 PolarHBondContact CD2-NH2 3.3Å; H78-R402 VanDerWaalsContact CG-CZ 3.5Å; H78-R402 PolarHBondContact NE2-NH2 2.99Å; H78-R402 VanDerWaalsContact NE2-NH2 3.11Å; R79-R402 PolarHBondContact O-N 3.28Å; V80-R402 CarbonylContact C-O 3.32Å; V80-R402 VanDerWaalsContact CA-O 3.23Å; V80-R402 WeakPolarHBondContact CA-O 3.23Å; V80-R402 HydrophobicContact CG1-CB 4.49Å; V80-R402 HydrophobicContact CG2-CB 4.28Å; V81-R402 PolarHBondContact N-O 2.7Å; P104-R402 HydrophobicContact CB-CG 4.33Å; H384-R402 CarbonylContact O-C 3.43Å; H384-R402 VanDerWaalsContact O-CA 3.29Å; H384-R402 WeakPolarHBondContact O-CA 3.28Å; V385-R402 HydrophobicContact CG2-CG 4.31Å; G400-R402 PolarHBondContact O-N 2.62Å
403V98.3Very high97.2Very high0 Ų034.2 Ų34.20%018%0.178CC..EExtended strand (participates in β ladder)trans-122.7119.5-179.7-175.50000107.9V81 V83 I92 F100 H384 I392 T401V81-V403 HydrophobicContact CB-CG2 4.44Å; V81-V403 CarbonylContact O-C 3.48Å; V81-V403 WeakPolarHBondContact O-CA 3.11Å; V83-V403 HydrophobicContact CG2-CG1 3.81Å; I92-V403 HydrophobicContact CD1-CG1 3.82Å; I92-V403 HydrophobicContact CG2-CG1 4.43Å; F100-V403 HydrophobicContact CD1-CG2 3.91Å; F100-V403 HydrophobicContact CE1-CG2 3.92Å; H384-V403 HydrophobicContact CB-CB 4.3Å; H384-V403 PolarHBondContact N-O 2.98Å; H384-V403 PolarHBondContact O-N 3.45Å; I392-V403 HydrophobicContact CD1-CG1 4.18Å; I392-V403 HydrophobicContact CD1-CG2 4.29Å; T401-V403 HydrophobicContact CG2-CG2 4.5Å
404I98.1Very high97.3Very high17 Ų1740.3 Ų40.39%0.08720%0.2CC..EExtended strand (participates in β ladder)trans-110.5119.6179-58.5179.1000107.7V80 V81 I82 V83 L380 P383V80-I404 HydrophobicContact CG1-CD1 3.68Å; V80-I404 HydrophobicContact CG1-CG1 3.89Å; V81-I404 PolarHBondContact O-N 3.04Å; I82-I404 HydrophobicContact CD1-CB 3.9Å; I82-I404 HydrophobicContact CD1-CD1 4.12Å; I82-I404 HydrophobicContact CD1-CG1 4.37Å; V83-I404 PolarHBondContact N-O 2.99Å; L380-I404 HydrophobicContact CB-CG2 4.02Å; L380-I404 HydrophobicContact CD1-CG2 4.27Å; L380-I404 HydrophobicContact CD2-CG2 4.04Å; L380-I404 HydrophobicContact CG-CG2 4.33Å; P383-I404 HydrophobicContact CB-CG1 4.03Å; P383-I404 HydrophobicContact CG-CD1 4.34Å; P383-I404 HydrophobicContact CG-CG1 4.09Å
405I98.6Very high97.4Very high0 Ų041.2 Ų41.20%020%0.196CC..EExtended strand (participates in β ladder)trans-90.1120.3173.4-63168.1000107.3V83 A89 I92 L93 F381 L407 L410V83-I405 HydrophobicContact CB-CG1 4.39Å; A89-I405 HydrophobicContact CB-CD1 4.33Å; A89-I405 HydrophobicContact CB-CG1 4.49Å; A89-I405 HydrophobicContact CB-CG2 3.85Å; I92-I405 HydrophobicContact CG2-CD1 4.24Å; L93-I405 HydrophobicContact CD1-CD1 3.6Å; L93-I405 HydrophobicContact CD2-CD1 3.58Å; L93-I405 HydrophobicContact CG-CD1 3.44Å; L93-I405 VanDerWaalsContact CG-CD1 3.44Å; F381-I405 HydrophobicContact CB-CB 4.47Å; F381-I405 HydrophobicContact CD2-CB 3.79Å; F381-I405 HydrophobicContact CD2-CD1 4.23Å; F381-I405 HydrophobicContact CD2-CG2 3.84Å; F381-I405 HydrophobicContact CE2-CG2 4.08Å; F381-I405 HydrophobicContact CG-CB 4.48Å; F381-I405 PolarHBondContact N-O 3.06Å; F381-I405 VanDerWaalsContact N-O 3.09Å; I405-L407 PolarHBondContact O-N 3.38Å; I405-L410 HydrophobicContact CG2-CD1 4.46Å; I405-L410 HydrophobicContact CG2-CD2 4.5Å
406N98.6Very high97.5Very high0 Ų041.8 Ų41.80%020%0.2CC..BIsolated β-bridgetrans-86.785.1178.4-172.8-1.2000109.8H57 K61 V83 N84 P379 L380 W408 S409 L410H57-N406 PolarHBondContact O-ND2 2.9Å; K61-N406 PolarHBondContact N-ND2 3.1Å; V83-N406 PolarHBondContact O-N 3Å; N84-N406 WeakPolarHBondContact OD1-CB 3.16Å; N84-N406 PolarHBondContact OD1-ND2 3.46Å; P379-N406 PolarHBondContact O-OD1 3.45Å; L380-N406 HydrophobicContact CD2-CB 3.88Å; L380-N406 WeakPolarHBondContact CD2-OD1 3.47Å; N406-W408 PolarHBondContact O-N 3.45Å; N406-W408 WeakPolarHBondContact OD1-CB 3.46Å; N406-W408 PolarHBondContact OD1-N 2.81Å; N406-S409 WeakPolarHBondContact O-CB 3.26Å; N406-S409 PolarHBondContact O-N 3.2Å; N406-S409 VanDerWaalsContact O-N 3.08Å; N406-S409 PolarHBondContact OD1-N 2.96Å; N406-L410 WeakPolarHBondContact O-CD1 3.46Å; N406-L410 PolarHBondContact O-N 3.45Å
407L98.6Very high97.6Very high1 Ų136.7 Ų36.71%0.00518%0.177CC..Hα-helixtrans-59.2-35.5179.6-176.162.9000111.6P376 P379 F381 I405 S409 L410 H411 L444P376-L407 HydrophobicContact CB-CD2 3.54Å; P376-L407 HydrophobicContact CB-CG 4.05Å; P379-L407 PolarHBondContact O-N 3.21Å; F381-L407 HydrophobicContact CD1-CB 4.35Å; F381-L407 HydrophobicContact CD1-CD2 4.36Å; F381-L407 HydrophobicContact CE1-CB 4Å; F381-L407 HydrophobicContact CE1-CD1 4.36Å; F381-L407 HydrophobicContact CE1-CD2 3.42Å; F381-L407 VanDerWaalsContact CE1-CD2 3.42Å; F381-L407 HydrophobicContact CE1-CG 4.12Å; F381-L407 HydrophobicContact CZ-CB 4.15Å; F381-L407 HydrophobicContact CZ-CD1 3.87Å; F381-L407 HydrophobicContact CZ-CD2 3.75Å; F381-L407 HydrophobicContact CZ-CG 4.13Å; I405-L407 PolarHBondContact O-N 3.38Å; L407-S409 VanDerWaalsContact C-N 3.3Å; L407-S409 PolarHBondContact O-N 2.88Å; L407-L410 HydrophobicContact CD1-CB 4.41Å; L407-L410 PolarHBondContact O-N 3.4Å; L407-L410 VanDerWaalsContact O-N 3.17Å; L407-H411 WeakPolarHBondContact CD1-NE2 3.45Å; L407-H411 WeakPolarHBondContact O-CB 3.27Å; L407-H411 PolarHBondContact O-N 3.25Å; L407-L444 HydrophobicContact CD1-CB 4Å
408W98.6Very high97.6Very high12 Ų1240.4 Ų40.45%0.04520%0.204CC..Hα-helixtrans-55.1-46.6174.2178.6-88000111.7H57 V58 I374 P376 P379 N406 H411 H412 L495H57-W408 HydrophobicContact CB-CB 3.9Å; H57-W408 HydrophobicContact CB-CG 4.29Å; H57-W408 AromaticContact CD2-CD1 3.94Å; H57-W408 AromaticContact CD2-CD2 3.46Å; H57-W408 VanDerWaalsContact CD2-CD2 3.46Å; H57-W408 AromaticContact CD2-CE2 4Å; H57-W408 AromaticContact CD2-CE3 3.79Å; H57-W408 AromaticContact CD2-CG 3.49Å; H57-W408 VanDerWaalsContact CD2-CG 3.49Å; V58-W408 HydrophobicContact CG2-CZ2 4.49Å; I374-W408 WeakPolarHBondContact O-CZ3 3.4Å; P376-W408 HydrophobicContact CG-CE3 4.17Å; P379-W408 HydrophobicContact CB-CB 3.99Å; P379-W408 HydrophobicContact CB-CE3 4.4Å; P379-W408 PolarHBondContact O-N 2.77Å; N406-W408 PolarHBondContact O-N 3.45Å; N406-W408 WeakPolarHBondContact OD1-CB 3.46Å; N406-W408 PolarHBondContact OD1-N 2.81Å; W408-H411 PolarHBondContact O-N 3.47Å; W408-H412 AromaticContact CD2-CE1 3.8Å; W408-H412 AromaticContact CD2-ND1 3.71Å; W408-H412 AromaticContact CE2-CE1 3.86Å; W408-H412 AromaticContact CE2-ND1 3.74Å; W408-H412 AromaticContact CE3-CE1 3.71Å; W408-H412 AromaticContact CH2-CE1 3.63Å; W408-H412 AromaticContact CH2-NE2 3.69Å; W408-H412 AromaticContact CZ2-CE1 3.8Å; W408-H412 AromaticContact CZ2-NE2 3.84Å; W408-H412 AromaticContact CZ3-CE1 3.62Å; W408-H412 WeakPolarHBondContact O-CB 3.07Å; W408-H412 PolarHBondContact O-N 3.18Å; W408-H412 PolarHBondContact O-ND1 2.96Å; W408-L495 HydrophobicContact CE3-CD2 4.46Å; W408-L495 HydrophobicContact CZ3-CD2 4.21Å
409S98.4Very high97.7Very high1 Ų142.4 Ų42.41%0.00722%0.218CC..Hα-helixtrans-61.1-47.4175.7-178.10000112.1Q64 N84 N406 L407 H411 H412 D413Q64-S409 PolarHBondContact NE2-OG 3.48Å; N84-S409 PolarHBondContact O-OG 2.86Å; N84-S409 VanDerWaalsContact O-OG 3.14Å; N84-S409 WeakPolarHBondContact OD1-CB 3.33Å; N406-S409 WeakPolarHBondContact O-CB 3.26Å; N406-S409 PolarHBondContact O-N 3.2Å; N406-S409 VanDerWaalsContact O-N 3.08Å; N406-S409 PolarHBondContact OD1-N 2.96Å; L407-S409 VanDerWaalsContact C-N 3.3Å; L407-S409 PolarHBondContact O-N 2.88Å; S409-H411 VanDerWaalsContact C-N 3.26Å; S409-H411 PolarHBondContact O-N 3.49Å; S409-H412 CarbonylContact O-C 3.59Å; S409-H412 PolarHBondContact O-N 3.4Å; S409-H412 VanDerWaalsContact O-N 3.14Å; S409-D413 PolarHBondContact O-N 2.85Å
410L98.6Very high97.8Very high0 Ų035.8 Ų35.80%019%0.19CC..Hα-helixtrans-57.2-42.8179.5-88.669.8000111.5N84 H86 A89 I405 N406 L407 H412 W417 S442 L444N84-L410 VanDerWaalsContact C-CD1 3.47Å; N84-L410 WeakPolarHBondContact O-CD1 3.46Å; H86-L410 HydrophobicContact CB-CD2 4.04Å; H86-L410 HydrophobicContact CB-CG 4.19Å; A89-L410 HydrophobicContact CB-CD2 3.85Å; I405-L410 HydrophobicContact CG2-CD1 4.46Å; I405-L410 HydrophobicContact CG2-CD2 4.5Å; N406-L410 WeakPolarHBondContact O-CD1 3.46Å; N406-L410 PolarHBondContact O-N 3.45Å; L407-L410 HydrophobicContact CD1-CB 4.41Å; L407-L410 PolarHBondContact O-N 3.4Å; L407-L410 VanDerWaalsContact O-N 3.17Å; L410-H412 VanDerWaalsContact C-N 3.34Å; L410-W417 PolarHBondContact O-NE1 3.35Å; L410-S442 VanDerWaalsContact C-OG 3.25Å; L410-S442 WeakPolarHBondContact CA-OG 3.5Å; L410-S442 WeakPolarHBondContact CB-OG 3.42Å; L410-S442 WeakPolarHBondContact O-CB 3.36Å; L410-S442 PolarHBondContact O-OG 2.89Å; L410-L444 HydrophobicContact CD2-CD1 3.87Å
411H98.6Very high97.8Very high0 Ų038.6 Ų38.60%019%0.191CC..Hα-helixtrans-79.3-14.3-178.3-75.6-169.8000114R373 L407 W408 S409 S442 Y443 L444R373-H411 WeakPolarHBondContact CA-ND1 3.37Å; R373-H411 HydrophobicContact CG-CB 3.96Å; R373-H411 PolarHBondContact NH1-O 3.23Å; R373-H411 VanDerWaalsContact O-CB 3.32Å; R373-H411 WeakPolarHBondContact O-CB 3.31Å; R373-H411 PolarHBondContact O-ND1 3.06Å; L407-H411 WeakPolarHBondContact CD1-NE2 3.45Å; L407-H411 WeakPolarHBondContact O-CB 3.27Å; L407-H411 PolarHBondContact O-N 3.25Å; W408-H411 PolarHBondContact O-N 3.47Å; S409-H411 VanDerWaalsContact C-N 3.26Å; S409-H411 PolarHBondContact O-N 3.49Å; H411-S442 PolarHBondContact CD2-O 3.16Å; H411-Y443 AromaticContact NE2-CD2 3.72Å; H411-L444 PolarHBondContact NE2-N 2.97Å
412H98.3Very high97.8Very high0 Ų043.1 Ų43.10%021%0.211CC..THydrogen-bonded Turntrans-12320.8-179.4-60.580.3000113.4K61 I374 W408 S409 L410 E414 P420 E421K61-H412 VanDerWaalsContact CE-O 3.29Å; K61-H412 WeakPolarHBondContact CE-O 3.25Å; K61-H412 PolarHBondContact NZ-O 3.18Å; I374-H412 PolarHBondContact O-CE1 3.2Å; I374-H412 VanDerWaalsContact O-CE1 3.27Å; I374-H412 PolarHBondContact O-NE2 2.8Å; W408-H412 AromaticContact CD2-CE1 3.8Å; W408-H412 AromaticContact CD2-ND1 3.71Å; W408-H412 AromaticContact CE2-CE1 3.86Å; W408-H412 AromaticContact CE2-ND1 3.74Å; W408-H412 AromaticContact CE3-CE1 3.71Å; W408-H412 AromaticContact CH2-CE1 3.63Å; W408-H412 AromaticContact CH2-NE2 3.69Å; W408-H412 AromaticContact CZ2-CE1 3.8Å; W408-H412 AromaticContact CZ2-NE2 3.84Å; W408-H412 AromaticContact CZ3-CE1 3.62Å; W408-H412 WeakPolarHBondContact O-CB 3.07Å; W408-H412 PolarHBondContact O-N 3.18Å; W408-H412 PolarHBondContact O-ND1 2.96Å; S409-H412 CarbonylContact O-C 3.59Å; S409-H412 PolarHBondContact O-N 3.4Å; S409-H412 VanDerWaalsContact O-N 3.14Å; L410-H412 VanDerWaalsContact C-N 3.34Å; H412-E414 PolarHBondContact O-N 3.46Å; H412-P420 HydrophobicContact CB-CB 4.05Å; H412-P420 PolarHBondContact CD2-O 3.15Å; H412-E421 IonicContact CD2-OE1 2.8Å; H412-E421 PolarHBondContact CD2-OE1 3.09Å; H412-E421 IonicContact CD2-OE2 3.58Å; H412-E421 IonicContact CG-OE1 2.84Å
413D97.6Very high97.9Very high24 Ų2441.9 Ų41.913%0.12821%0.207CC..  trans-74.8116.6172.2-174.1-5.8000109.3S409 K415 E416 W417S409-D413 PolarHBondContact O-N 2.85Å; D413-K415 PolarHBondContact O-N 3.36Å; D413-K415 WeakPolarHBondContact OD1-CB 3.4Å; D413-K415 PolarHBondContact OD1-N 3.44Å; D413-E416 HydrophobicContact CB-CB 4.24Å; D413-E416 HydrophobicContact CB-CG 4.3Å; D413-E416 PolarHBondContact O-N 2.87Å; D413-W417 PolarHBondContact O-N 3.27Å
414E96.6Very high97.9Very high153 Ų15344.8 Ų44.872%0.71522%0.223SC*.THydrogen-bonded Turntrans-64.6-17.2-179.1-67.1173.9172.700113H412 E416 W417 P420H412-E414 PolarHBondContact O-N 3.46Å; E414-E416 VanDerWaalsContact C-N 3.32Å; E414-W417 WeakPolarHBondContact CA-O 3.42Å; E414-P420 HydrophobicContact CG-CG 3.78Å
415K96.1Very high97.9Very high177 Ų17744.1 Ų44.177%0.7722%0.219SC*.THydrogen-bonded Turntrans-76.3-23.6172.9-63179.1-179.7179.80112.9D413D413-K415 PolarHBondContact O-N 3.36Å; D413-K415 WeakPolarHBondContact OD1-CB 3.4Å; D413-K415 PolarHBondContact OD1-N 3.44Å
416E97.6Very high97.8Very high65 Ų6545.5 Ų45.530%0.30423%0.233SC..THydrogen-bonded Turntrans-108.9-25.1-174.1-67.7-67.1163.100112.1H86 D413 E414 S440H86-E416 IonicContact CD2-OE1 2.62Å; H86-E416 PolarHBondContact CD2-OE1 3.47Å; H86-E416 IonicContact CE1-OE1 3.61Å; H86-E416 VanDerWaalsContact NE2-CD 3.3Å; H86-E416 IonicContact NE2-OE1 2.6Å; H86-E416 PolarHBondContact NE2-OE1 2.89Å; H86-E416 IonicContact NE2-OE2 3.51Å; D413-E416 HydrophobicContact CB-CB 4.24Å; D413-E416 HydrophobicContact CB-CG 4.3Å; D413-E416 PolarHBondContact O-N 2.87Å; E414-E416 VanDerWaalsContact C-N 3.32Å; E416-S440 WeakPolarHBondContact O-CB 3.37Å; E416-S440 PolarHBondContact OE2-OG 3.09Å
417W97.9Very high97.8Very high5 Ų546.8 Ų46.82%0.01924%0.238CC..SBendtrans-132.7122.5-176.5-56.994.7000110.3R373 L410 D413 E414 P420 F428 P439 Y443R373-W417 HydrophobicContact CG-CE3 4.44Å; R373-W417 HydrophobicContact CG-CH2 3.9Å; R373-W417 HydrophobicContact CG-CZ2 4Å; R373-W417 HydrophobicContact CG-CZ3 4.13Å; L410-W417 PolarHBondContact O-NE1 3.35Å; D413-W417 PolarHBondContact O-N 3.27Å; E414-W417 WeakPolarHBondContact CA-O 3.42Å; W417-P420 HydrophobicContact CB-CB 4.06Å; W417-P420 WeakPolarHBondContact O-CD 3.46Å; W417-F428 HydrophobicContact CH2-CE1 4.18Å; W417-F428 AromaticContact CH2-CZ 3.85Å; W417-F428 HydrophobicContact CH2-CZ 3.85Å; W417-F428 HydrophobicContact CZ3-CE1 4.34Å; W417-F428 HydrophobicContact CZ3-CE2 4.46Å; W417-F428 AromaticContact CZ3-CZ 3.84Å; W417-F428 HydrophobicContact CZ3-CZ 3.84Å; W417-P439 HydrophobicContact CE3-CG 4.34Å; W417-P439 HydrophobicContact CH2-CG 4.09Å; W417-P439 HydrophobicContact CZ3-CG 3.52Å; W417-Y443 AromaticContact CH2-CD2 3.75Å; W417-Y443 HydrophobicContact CH2-CD2 3.75Å; W417-Y443 HydrophobicContact CH2-CG 4.01Å; W417-Y443 HydrophobicContact CZ2-CD2 4.01Å; W417-Y443 HydrophobicContact CZ2-CG 4.3Å
418S96.7Very high97.8Very high83 Ų8346.8 Ų46.858%0.5824%0.238SC*.SBendtrans-70128.9173.954.10000110.5R427S418-R427 PolarHBondContact O-NH1 3.38Å; S418-R427 PolarHBondContact O-NH2 3Å; S418-R427 PolarHBondContact OG-NH1 3.48Å
419N97.2Very high97.7Very high123 Ų12347 Ų4766%0.65824%0.24SC*.SBendtrans47.359.5-179.3-58.5-43.5000113.4E421 H422 R427N419-E421 PolarHBondContact O-N 3.05Å; N419-H422 HydrophobicContact CB-CB 4.13Å; N419-H422 WeakPolarHBondContact O-CB 3.47Å; N419-H422 PolarHBondContact O-N 3.3Å; N419-R427 PolarHBondContact O-NH2 2.98Å
420P97.6Very high97.6Very high6 Ų649.3 Ų49.34%0.03925%0.252CS..THydrogen-bonded Turntrans-61.5-19.6-167.621.1-30.7000115.1R373 H412 E414 W417R373-P420 VanDerWaalsContact CZ-O 3.25Å; R373-P420 PolarHBondContact NH1-O 3.47Å; R373-P420 PolarHBondContact NH2-O 3.16Å; H412-P420 HydrophobicContact CB-CB 4.05Å; H412-P420 PolarHBondContact CD2-O 3.15Å; E414-P420 HydrophobicContact CG-CG 3.78Å; W417-P420 HydrophobicContact CB-CB 4.06Å; W417-P420 WeakPolarHBondContact O-CD 3.46Å
421E97.3Very high97.3Very high106 Ų10655.5 Ų55.550%0.49530%0.296SS..THydrogen-bonded Turntrans-85.1-10.8177.7-53-58.614200112.7H412 N419H412-E421 IonicContact CD2-OE1 2.8Å; H412-E421 PolarHBondContact CD2-OE1 3.09Å; H412-E421 IonicContact CD2-OE2 3.58Å; H412-E421 IonicContact CG-OE1 2.84Å; N419-E421 PolarHBondContact O-N 3.05Å
422H97.6Very high96.9Very high100 Ų10062.9 Ų62.946%0.46333%0.33SS..SBendtrans-90.1126.1178.7-171.568.6000111N419 D424 R427N419-H422 HydrophobicContact CB-CB 4.13Å; N419-H422 WeakPolarHBondContact O-CB 3.47Å; N419-H422 PolarHBondContact O-N 3.3Å; H422-D424 PolarHBondContact O-N 3.12Å; H422-R427 PolarHBondContact O-NH2 3.41Å
423F98.5Very high96.4Very high7 Ų764.2 Ų64.23%0.03134%0.344CS..  trans-74.9105.4176.7-175.1-107.8000110.7Y327 H331 V335 T367 E370 V371 I374 P425Y327-F423 HydrophobicContact CD1-CB 3.61Å; Y327-F423 AromaticContact CD1-CD1 3.9Å; Y327-F423 HydrophobicContact CD1-CD1 3.9Å; Y327-F423 AromaticContact CD1-CD2 3.45Å; Y327-F423 HydrophobicContact CD1-CD2 3.45Å; Y327-F423 VanDerWaalsContact CD1-CD2 3.45Å; Y327-F423 HydrophobicContact CD1-CE1 4.42Å; Y327-F423 HydrophobicContact CD1-CE2 4.03Å; Y327-F423 AromaticContact CD1-CG 3.37Å; Y327-F423 HydrophobicContact CD1-CG 3.37Å; Y327-F423 HydrophobicContact CD1-CZ 4.48Å; Y327-F423 HydrophobicContact CD2-CD2 4.41Å; Y327-F423 HydrophobicContact CD2-CE2 4.38Å; Y327-F423 HydrophobicContact CE1-CB 3.74Å; Y327-F423 AromaticContact CE1-CD2 3.87Å; Y327-F423 HydrophobicContact CE1-CD2 3.87Å; Y327-F423 AromaticContact CE1-CG 3.92Å; Y327-F423 HydrophobicContact CE1-CG 3.92Å; Y327-F423 HydrophobicContact CG-CD1 4.34Å; Y327-F423 AromaticContact CG-CD2 3.76Å; Y327-F423 HydrophobicContact CG-CD2 3.76Å; Y327-F423 HydrophobicContact CG-CE1 4.4Å; Y327-F423 AromaticContact CG-CE2 3.85Å; Y327-F423 HydrophobicContact CG-CE2 3.85Å; Y327-F423 HydrophobicContact CG-CG 4.01Å; Y327-F423 HydrophobicContact CG-CZ 4.17Å; H331-F423 AromaticContact CD2-CD1 3.64Å; H331-F423 AromaticContact NE2-CD1 3.97Å; V335-F423 HydrophobicContact CG1-CE1 4.14Å; V335-F423 HydrophobicContact CG2-CD1 4.27Å; V335-F423 HydrophobicContact CG2-CE1 4.02Å; T367-F423 HydrophobicContact CG2-CE1 4.39Å; T367-F423 HydrophobicContact CG2-CZ 3.85Å; E370-F423 HydrophobicContact CB-CD2 4.39Å; E370-F423 HydrophobicContact CB-CE2 3.96Å; E370-F423 HydrophobicContact CG-CD2 3.44Å; E370-F423 VanDerWaalsContact CG-CD2 3.44Å; E370-F423 HydrophobicContact CG-CE2 3.52Å; E370-F423 HydrophobicContact CG-CG 4.23Å; E370-F423 HydrophobicContact CG-CZ 4.35Å; V371-F423 HydrophobicContact CG2-CE2 3.72Å; V371-F423 HydrophobicContact CG2-CZ 3.9Å; I374-F423 HydrophobicContact CD1-CB 4.05Å; I374-F423 HydrophobicContact CD1-CD2 4.34Å; I374-F423 HydrophobicContact CG2-CD2 4.03Å; I374-F423 HydrophobicContact CG2-CE2 4.43Å; F423-P425 HydrophobicContact CE1-CG 3.97Å; F423-P425 HydrophobicContact CZ-CG 4.22Å
424D97.9Very high96Very high61 Ų6167.5 Ų67.533%0.32637%0.365SS..  trans-136.699.8-179.6174.520.9000110.7E370 H422 G426 R427E370-D424 PolarHBondContact OE1-N 2.95Å; E370-D424 VanDerWaalsContact OE1-N 3.16Å; H422-D424 PolarHBondContact O-N 3.12Å; D424-G426 PolarHBondContact O-N 3.01Å; D424-G426 VanDerWaalsContact OD1-CA 3.31Å; D424-G426 WeakPolarHBondContact OD1-CA 3.23Å; D424-G426 PolarHBondContact OD1-N 3.02Å; D424-R427 HydrophobicContact CB-CG 4.12Å; D424-R427 WeakPolarHBondContact O-CB 3.45Å; D424-R427 WeakPolarHBondContact O-CD 3.35Å; D424-R427 WeakPolarHBondContact O-CG 3.4Å; D424-R427 PolarHBondContact O-N 3.44Å
425P98.3Very high95.9Very high2 Ų261.2 Ų61.21%0.01334%0.341CS..G310 helixtrans-56.6-28.7171.5-27.637000113.4V335 Y363 A366 T367 F423 R427 F428V335-P425 HydrophobicContact CG1-CG 4.01Å; V335-P425 HydrophobicContact CG2-CG 4.01Å; Y363-P425 HydrophobicContact CE2-CB 3.96Å; A366-P425 HydrophobicContact CB-CB 4.33Å; A366-P425 WeakPolarHBondContact CB-O 3.48Å; T367-P425 HydrophobicContact CG2-CG 4.23Å; T367-P425 WeakPolarHBondContact OG1-CG 3.31Å; F423-P425 HydrophobicContact CE1-CG 3.97Å; F423-P425 HydrophobicContact CZ-CG 4.22Å; P425-R427 PolarHBondContact O-N 3.33Å; P425-F428 PolarHBondContact O-N 3.34Å
426G97.7Very high95.9Very high29 Ų2955.8 Ų55.830%0.29932%0.32SS..G310 helixtrans-56.6-24.6-178.700000114.1D424 F428 L429D424-G426 PolarHBondContact O-N 3.01Å; D424-G426 VanDerWaalsContact OD1-CA 3.31Å; D424-G426 WeakPolarHBondContact OD1-CA 3.23Å; D424-G426 PolarHBondContact OD1-N 3.02Å; G426-F428 PolarHBondContact O-N 3.3Å; G426-F428 VanDerWaalsContact O-N 3.14Å; G426-L429 PolarHBondContact O-N 3.04Å; G426-L429 VanDerWaalsContact O-N 3.1Å
427R97.5Very high95.8Very high28 Ų2855 Ų5511%0.10632%0.32CS..G310 helixtrans-53.2-32.3173.7-63.8174.8-168-64.63114.3E370 S418 N419 H422 D424 P425 P439E370-R427 IonicContact OE1-NE 3.33Å; E370-R427 PolarHBondContact OE1-NE 2.92Å; S418-R427 PolarHBondContact O-NH1 3.38Å; S418-R427 PolarHBondContact O-NH2 3Å; S418-R427 PolarHBondContact OG-NH1 3.48Å; N419-R427 PolarHBondContact O-NH2 2.98Å; H422-R427 PolarHBondContact O-NH2 3.41Å; D424-R427 HydrophobicContact CB-CG 4.12Å; D424-R427 WeakPolarHBondContact O-CB 3.45Å; D424-R427 WeakPolarHBondContact O-CD 3.35Å; D424-R427 WeakPolarHBondContact O-CG 3.4Å; D424-R427 PolarHBondContact O-N 3.44Å; P425-R427 PolarHBondContact O-N 3.33Å; R427-P439 HydrophobicContact CB-CG 4.43Å; R427-P439 WeakPolarHBondContact O-CB 3.32Å; R427-P439 VanDerWaalsContact O-CG 3.29Å; R427-P439 WeakPolarHBondContact O-CG 3.25Å
428F98.4Very high95.7Very high0 Ų060.3 Ų60.30%035%0.347CS..G310 helixtrans-99.78-175.3-67.8-80.8000113.1A366 R369 E370 R373 W417 P425 G426 L436 T437 P439 Y443A366-F428 HydrophobicContact CB-CB 3.89Å; R369-F428 HydrophobicContact CB-CB 4.35Å; R369-F428 HydrophobicContact CB-CD1 3.82Å; R369-F428 HydrophobicContact CB-CD2 3.74Å; R369-F428 HydrophobicContact CB-CE1 3.96Å; R369-F428 HydrophobicContact CB-CE2 3.89Å; R369-F428 HydrophobicContact CB-CG 3.7Å; R369-F428 HydrophobicContact CB-CZ 3.99Å; R369-F428 HydrophobicContact CG-CD1 4.36Å; R369-F428 HydrophobicContact CG-CG 4.49Å; E370-F428 HydrophobicContact CB-CD2 4.12Å; E370-F428 HydrophobicContact CB-CE2 3.95Å; E370-F428 WeakPolarHBondContact OE2-CE2 3.48Å; R373-F428 HydrophobicContact CB-CE2 4.42Å; R373-F428 HydrophobicContact CB-CZ 4.19Å; W417-F428 HydrophobicContact CH2-CE1 4.18Å; W417-F428 AromaticContact CH2-CZ 3.85Å; W417-F428 HydrophobicContact CH2-CZ 3.85Å; W417-F428 HydrophobicContact CZ3-CE1 4.34Å; W417-F428 HydrophobicContact CZ3-CE2 4.46Å; W417-F428 AromaticContact CZ3-CZ 3.84Å; W417-F428 HydrophobicContact CZ3-CZ 3.84Å; P425-F428 PolarHBondContact O-N 3.34Å; G426-F428 PolarHBondContact O-N 3.3Å; G426-F428 VanDerWaalsContact O-N 3.14Å; F428-L436 CarbonylContact O-C 3.52Å; F428-L436 VanDerWaalsContact O-CA 3.27Å; F428-L436 WeakPolarHBondContact O-CA 3.29Å; F428-L436 WeakPolarHBondContact O-CD2 3.45Å; F428-T437 PolarHBondContact O-N 2.86Å; F428-P439 HydrophobicContact CD1-CG 4.15Å; F428-P439 HydrophobicContact CE1-CG 4.08Å; F428-Y443 AromaticContact CE1-CD1 3.99Å; F428-Y443 HydrophobicContact CE1-CD1 3.99Å; F428-Y443 HydrophobicContact CE1-CD2 4.15Å; F428-Y443 AromaticContact CE1-CE1 3.88Å; F428-Y443 HydrophobicContact CE1-CE1 3.88Å; F428-Y443 HydrophobicContact CE1-CE2 4.06Å; F428-Y443 HydrophobicContact CE1-CG 4.11Å; F428-Y443 AromaticContact CE1-CZ 3.91Å; F428-Y443 AromaticContact CZ-CD2 3.98Å; F428-Y443 HydrophobicContact CZ-CD2 3.98Å; F428-Y443 HydrophobicContact CZ-CE1 4.37Å; F428-Y443 AromaticContact CZ-CE2 3.73Å; F428-Y443 HydrophobicContact CZ-CE2 3.73Å; F428-Y443 HydrophobicContact CZ-CG 4.41Å; F428-Y443 AromaticContact CZ-CZ 3.92Å
429L97.8Very high95.5Very high17 Ų1759.3 Ų59.39%0.08934%0.339CS..BIsolated β-bridgetrans-94.6158.7173.9-60.9171.7000110.6P362 Y363 A366 G426 G435 L436 T437P362-L429 HydrophobicContact CB-CD2 4.04Å; Y363-L429 HydrophobicContact CD2-CD1 3.76Å; Y363-L429 HydrophobicContact CE2-CD1 4.16Å; A366-L429 HydrophobicContact CB-CD2 3.81Å; A366-L429 HydrophobicContact CB-CG 4.1Å; G426-L429 PolarHBondContact O-N 3.04Å; G426-L429 VanDerWaalsContact O-N 3.1Å; L429-G435 WeakPolarHBondContact CA-O 3.24Å; L429-L436 HydrophobicContact CD2-CD2 4.47Å; L429-T437 PolarHBondContact O-OG1 3.27Å
430D95.4Very high95.5Very high49 Ų4953.7 Ų53.726%0.26231%0.31SS..  trans-74.4175162.759.433.1000111.6E432 G433 T434 G435 T437D430-E432 PolarHBondContact O-N 3.1Å; D430-E432 PolarHBondContact OD1-N 2.76Å; D430-E432 VanDerWaalsContact OD1-N 3.13Å; D430-G433 PolarHBondContact O-N 3.34Å; D430-G433 PolarHBondContact OD1-N 3.29Å; D430-T434 PolarHBondContact OD1-N 3.05Å; D430-G435 PolarHBondContact N-O 2.82Å; D430-G435 PolarHBondContact OD1-N 3.5Å; D430-G435 WeakPolarHBondContact OD2-CA 3.28Å; D430-G435 PolarHBondContact OD2-N 2.91Å; D430-T437 HydrophobicContact CB-CG2 3.7Å
431S91.8Very high95.4Very high130 Ų13056.1 Ų56.191%0.90933%0.326SS*.THydrogen-bonded Turntrans-61.2-22.6-179.5500000114
432E91.3Very high95.5Very high156 Ų15651.1 Ų51.173%0.72930%0.303SS*.THydrogen-bonded Turntrans-91.7-11.5178.8-61.6-174.1174.400112.2D430 T434D430-E432 PolarHBondContact O-N 3.1Å; D430-E432 PolarHBondContact OD1-N 2.76Å; D430-E432 VanDerWaalsContact OD1-N 3.13Å; E432-T434 HydrophobicContact CB-CG2 3.99Å; E432-T434 PolarHBondContact O-N 3.35Å
433G88.7Confident95.5Very high28 Ų2847.8 Ų47.829%0.28929%0.287SS..SBendtrans70.315.6-174.900000113.8D430D430-G433 PolarHBondContact O-N 3.34Å; D430-G433 PolarHBondContact OD1-N 3.29Å
434T88.9Confident95.5Very high93 Ų9348.2 Ų48.257%0.57129%0.289SS*.SBendtrans-102-23.5-173.567.30000113.1P362 D430 E432P362-T434 WeakPolarHBondContact CG-O 3.34Å; D430-T434 PolarHBondContact OD1-N 3.05Å; E432-T434 HydrophobicContact CB-CG2 3.99Å; E432-T434 PolarHBondContact O-N 3.35Å
435G92.9Very high95.5Very high21 Ų2146.2 Ų46.222%0.21628%0.28CS..SBendtrans-131.9179.1179.400000113L429 D430L429-G435 WeakPolarHBondContact CA-O 3.24Å; D430-G435 PolarHBondContact N-O 2.82Å; D430-G435 PolarHBondContact OD1-N 3.5Å; D430-G435 WeakPolarHBondContact OD2-CA 3.28Å; D430-G435 PolarHBondContact OD2-N 2.91Å
436L96.4Very high95.5Very high62 Ų6247.4 Ų47.433%0.32529%0.285SS..BIsolated β-bridgetrans-104139.4-177.5-69.3167.8000111.3P362 E365 A366 R369 F428 L429P362-L436 HydrophobicContact CB-CG 4.4Å; P362-L436 WeakPolarHBondContact O-CD2 3.36Å; E365-L436 HydrophobicContact CB-CD1 3.61Å; E365-L436 HydrophobicContact CB-CD2 4.07Å; E365-L436 HydrophobicContact CB-CG 4.42Å; E365-L436 HydrophobicContact CG-CD1 4.29Å; A366-L436 HydrophobicContact CB-CD2 3.9Å; R369-L436 VanDerWaalsContact NH2-CD1 3.35Å; F428-L436 CarbonylContact O-C 3.52Å; F428-L436 VanDerWaalsContact O-CA 3.27Å; F428-L436 WeakPolarHBondContact O-CA 3.29Å; F428-L436 WeakPolarHBondContact O-CD2 3.45Å; L429-L436 HydrophobicContact CD2-CD2 4.47Å
437T96.2Very high95.5Very high50 Ų5046.8 Ų46.831%0.30728%0.278SS..  trans-121.1168.6172.664.60000111.1R369 F428 L429 D430R369-T437 PolarHBondContact NH1-O 2.94Å; F428-T437 PolarHBondContact O-N 2.86Å; L429-T437 PolarHBondContact O-OG1 3.27Å; D430-T437 HydrophobicContact CB-CG2 3.7Å
438I94.7Very high95.5Very high115 Ų11546.9 Ų46.959%0.5928%0.282SS*.  trans-115.2102.3168.3-61.4176.6000106S440I438-S440 VanDerWaalsContact C-N 3.33Å; I438-S440 WeakPolarHBondContact CG2-O 3.35Å; I438-S440 PolarHBondContact O-N 3.31Å
439P93.6Very high95.4Very high63 Ų6348.2 Ų48.241%0.40930%0.295SS..  trans-72.2-27.1-16928.4-37.1000113.2W417 R427 F428W417-P439 HydrophobicContact CE3-CG 4.34Å; W417-P439 HydrophobicContact CH2-CG 4.09Å; W417-P439 HydrophobicContact CZ3-CG 3.52Å; R427-P439 HydrophobicContact CB-CG 4.43Å; R427-P439 WeakPolarHBondContact O-CB 3.32Å; R427-P439 VanDerWaalsContact O-CG 3.29Å; R427-P439 WeakPolarHBondContact O-CG 3.25Å; F428-P439 HydrophobicContact CD1-CG 4.15Å; F428-P439 HydrophobicContact CE1-CG 4.08Å
440S97.2Very high95.3Very high5 Ų549.7 Ų49.74%0.03530%0.303CS..  trans-138.4142.8177.5170.60000111.4E416 I438 S442 Y443E416-S440 WeakPolarHBondContact O-CB 3.37Å; E416-S440 PolarHBondContact OE2-OG 3.09Å; I438-S440 VanDerWaalsContact C-N 3.33Å; I438-S440 WeakPolarHBondContact CG2-O 3.35Å; I438-S440 PolarHBondContact O-N 3.31Å; S440-S442 PolarHBondContact O-N 2.88Å; S440-S442 VanDerWaalsContact OG-CB 3.23Å; S440-S442 WeakPolarHBondContact OG-CB 3.33Å; S440-S442 PolarHBondContact OG-N 2.96Å; S440-Y443 WeakPolarHBondContact O-CB 3.09Å; S440-Y443 PolarHBondContact O-N 3.36Å
441S96Very high95.4Very high56 Ų5648.7 Ų48.739%0.39230%0.296SS..THydrogen-bonded Turntrans-68.7-11.7173.499.60000112.5H86 K90 Y443H86-S441 PolarHBondContact CE1-OG 3.18Å; H86-S441 PolarHBondContact ND1-OG 3.23Å; K90-S441 WeakPolarHBondContact CE-O 3.37Å; K90-S441 PolarHBondContact NZ-O 3.43Å; K90-S441 PolarHBondContact NZ-OG 3.44Å; K90-S441 VanDerWaalsContact NZ-OG 3.09Å; S441-Y443 PolarHBondContact O-N 2.66Å
442S97.8Very high95.7Very high1 Ų144.3 Ų44.31%0.00726%0.263CS..THydrogen-bonded Turntrans-73.7-9.2175-158.40000113.7L410 H411 S440 L444L410-S442 VanDerWaalsContact C-OG 3.25Å; L410-S442 WeakPolarHBondContact CA-OG 3.5Å; L410-S442 WeakPolarHBondContact CB-OG 3.42Å; L410-S442 WeakPolarHBondContact O-CB 3.36Å; L410-S442 PolarHBondContact O-OG 2.89Å; H411-S442 PolarHBondContact CD2-O 3.16Å; S440-S442 PolarHBondContact O-N 2.88Å; S440-S442 VanDerWaalsContact OG-CB 3.23Å; S440-S442 WeakPolarHBondContact OG-CB 3.33Å; S440-S442 PolarHBondContact OG-N 2.96Å; S442-L444 PolarHBondContact O-N 2.73Å
443Y98.5Very high96Very high31 Ų3139.4 Ų39.412%0.12225%0.246CC..  trans-75.1106.8179.7-168.4-121.6000112.6R369 R373 H411 W417 F428 S440 S441 P445R369-Y443 WeakPolarHBondContact CA-OH 3.23Å; R369-Y443 WeakPolarHBondContact CB-OH 3.36Å; R369-Y443 HydrophobicContact CG-CE1 4.49Å; R369-Y443 PolarHBondContact O-OH 3.43Å; R373-Y443 HydrophobicContact CB-CD2 4.2Å; R373-Y443 HydrophobicContact CB-CE2 3.73Å; R373-Y443 HydrophobicContact CG-CD2 4.18Å; R373-Y443 HydrophobicContact CG-CE2 4.22Å; H411-Y443 AromaticContact NE2-CD2 3.72Å; W417-Y443 AromaticContact CH2-CD2 3.75Å; W417-Y443 HydrophobicContact CH2-CD2 3.75Å; W417-Y443 HydrophobicContact CH2-CG 4.01Å; W417-Y443 HydrophobicContact CZ2-CD2 4.01Å; W417-Y443 HydrophobicContact CZ2-CG 4.3Å; F428-Y443 AromaticContact CE1-CD1 3.99Å; F428-Y443 HydrophobicContact CE1-CD1 3.99Å; F428-Y443 HydrophobicContact CE1-CD2 4.15Å; F428-Y443 AromaticContact CE1-CE1 3.88Å; F428-Y443 HydrophobicContact CE1-CE1 3.88Å; F428-Y443 HydrophobicContact CE1-CE2 4.06Å; F428-Y443 HydrophobicContact CE1-CG 4.11Å; F428-Y443 AromaticContact CE1-CZ 3.91Å; F428-Y443 AromaticContact CZ-CD2 3.98Å; F428-Y443 HydrophobicContact CZ-CD2 3.98Å; F428-Y443 HydrophobicContact CZ-CE1 4.37Å; F428-Y443 AromaticContact CZ-CE2 3.73Å; F428-Y443 HydrophobicContact CZ-CE2 3.73Å; F428-Y443 HydrophobicContact CZ-CG 4.41Å; F428-Y443 AromaticContact CZ-CZ 3.92Å; S440-Y443 WeakPolarHBondContact O-CB 3.09Å; S440-Y443 PolarHBondContact O-N 3.36Å; S441-Y443 PolarHBondContact O-N 2.66Å; Y443-P445 HydrophobicContact CD1-CG 4.24Å; Y443-P445 HydrophobicContact CE1-CG 3.64Å; Y443-P445 HydrophobicContact CE2-CB 4.26Å; Y443-P445 HydrophobicContact CE2-CG 3.97Å
444L98.2Very high96.3Very high15 Ų1539.2 Ų39.28%0.07924%0.238CC..  trans-135.451.8-177.4-63.9176.1000112.5K90 F381 L407 L410 H411 S442 F446 G447 T448K90-L444 HydrophobicContact CG-CD1 4.46Å; F381-L444 WeakPolarHBondContact CZ-O 3.33Å; L407-L444 HydrophobicContact CD1-CB 4Å; L410-L444 HydrophobicContact CD2-CD1 3.87Å; H411-L444 PolarHBondContact NE2-N 2.97Å; S442-L444 PolarHBondContact O-N 2.73Å; L444-F446 PolarHBondContact O-N 2.98Å; L444-F446 VanDerWaalsContact O-N 3.08Å; L444-G447 PolarHBondContact O-N 2.82Å; L444-T448 HydrophobicContact CD2-CG2 4.17Å
445P98Very high96.6Very high19 Ų1936 Ų3612%0.12322%0.223CC..THydrogen-bonded Turntrans-60.3-26.3-172.228.3-39.4000114.5L372 Y443L372-P445 HydrophobicContact CB-CB 3.87Å; L372-P445 HydrophobicContact CD1-CB 4.38Å; Y443-P445 HydrophobicContact CD1-CG 4.24Å; Y443-P445 HydrophobicContact CE1-CG 3.64Å; Y443-P445 HydrophobicContact CE2-CB 4.26Å; Y443-P445 HydrophobicContact CE2-CG 3.97Å
446F98.1Very high96.7Very high28 Ų2837.8 Ų37.812%0.12323%0.225CC..THydrogen-bonded Turntrans-11011.9179.5-64.4-75.6000112.9L372 L444 C453 E456 A459 K460L372-F446 HydrophobicContact CD1-CE2 3.86Å; L372-F446 HydrophobicContact CD1-CZ 3.88Å; L444-F446 PolarHBondContact O-N 2.98Å; L444-F446 VanDerWaalsContact O-N 3.08Å; F446-C453 HydrophobicContact CB-CB 3.81Å; F446-C453 HydrophobicContact CD1-CB 3.89Å; F446-C453 HydrophobicContact CG-CB 4.33Å; F446-C453 WeakPolarHBondContact O-CB 3.41Å; F446-C453 PolarHBondContact O-N 3.42Å; F446-E456 HydrophobicContact CB-CB 4.35Å; F446-E456 HydrophobicContact CB-CG 4.14Å; F446-E456 HydrophobicContact CD1-CB 4.02Å; F446-E456 HydrophobicContact CD1-CG 4.01Å; F446-E456 HydrophobicContact CD2-CG 3.76Å; F446-E456 HydrophobicContact CE1-CG 4.38Å; F446-E456 HydrophobicContact CE2-CG 4.17Å; F446-E456 HydrophobicContact CG-CB 4.07Å; F446-E456 HydrophobicContact CG-CG 3.69Å; F446-E456 HydrophobicContact CZ-CG 4.46Å; F446-A459 HydrophobicContact CE1-CB 4.08Å; F446-A459 HydrophobicContact CZ-CB 4.47Å; F446-K460 HydrophobicContact CE2-CG 4.3Å; F446-K460 HydrophobicContact CZ-CG 4.27Å
447G97.4Very high96.5Very high16 Ų1637.9 Ų37.917%0.16524%0.235CC..  trans65.1-159.3-16800000111.8L444L444-G447 PolarHBondContact O-N 2.82Å
448T97.3Very high96.4Very high30 Ų3036.2 Ų36.218%0.18422%0.224CC..  trans-161.8170.6177.4-168.50000110.9L93 L94 L444L93-T448 HydrophobicContact CB-CG2 3.63Å; L93-T448 HydrophobicContact CD1-CG2 3.86Å; L93-T448 HydrophobicContact CG-CG2 4.42Å; L94-T448 HydrophobicContact CD1-CG2 3.87Å; L94-T448 HydrophobicContact CD2-CG2 4.15Å; L94-T448 WeakPolarHBondContact CD2-OG1 3.44Å; L94-T448 HydrophobicContact CG-CG2 3.64Å; L444-T448 HydrophobicContact CD2-CG2 4.17Å
449G97Very high96.5Very high27 Ų2731.2 Ų31.228%0.27820%0.2SC..G310 helixtrans71.5-147.4177.300000114.7L93 R451 V452L93-G449 WeakPolarHBondContact O-CA 3.27Å; G449-R451 VanDerWaalsContact C-N 3.27Å; G449-R451 PolarHBondContact O-N 2.86Å; G449-V452 WeakPolarHBondContact O-CB 3.48Å; G449-V452 VanDerWaalsContact O-CG1 3.25Å; G449-V452 WeakPolarHBondContact O-CG1 3.38Å; G449-V452 PolarHBondContact O-N 2.86Å; G449-V452 VanDerWaalsContact O-N 3.13Å
450I96.1Very high96.7Very high49 Ų4931.2 Ų31.225%0.25119%0.194SC..G310 helixtrans-63.1-35.7-168.2-64.5-178.2000112.4K98 Y124 W128K98-I450 HydrophobicContact CB-CD1 4.04Å; K98-I450 HydrophobicContact CG-CD1 3.29Å; Y124-I450 HydrophobicContact CD2-CG2 4.32Å; Y124-I450 HydrophobicContact CE2-CG2 3.87Å; W128-I450 HydrophobicContact CH2-CG2 3.85Å; W128-I450 WeakPolarHBondContact CH2-O 3.37Å; W128-I450 HydrophobicContact CZ3-CG2 3.9Å
451R97.4Very high96.6Very high28 Ų2832.6 Ų32.611%0.10620%0.2CC..G310 helixtrans-10121.3-178.7-59.8-67-171.5155.2-3.9112.1A101 G122 W128 G449A101-R451 PolarHBondContact O-NE 2.9Å; A101-R451 PolarHBondContact O-NH2 3.3Å; G122-R451 PolarHBondContact O-NH1 3.13Å; G122-R451 PolarHBondContact O-NH2 3.15Å; W128-R451 VanDerWaalsContact CZ2-CD 3.41Å; W128-R451 VanDerWaalsContact CZ2-NH1 3.3Å; G449-R451 VanDerWaalsContact C-N 3.27Å; G449-R451 PolarHBondContact O-N 2.86Å
452V97.3Very high96.7Very high37 Ų3730 Ų3022%0.22418%0.182CC..  trans-52.9147.9173.666.90000110.6R132 G449 L454R132-V452 VanDerWaalsContact CZ-O 3.28Å; R132-V452 PolarHBondContact NH1-O 3.46Å; R132-V452 VanDerWaalsContact NH2-CG1 3.35Å; R132-V452 PolarHBondContact NH2-O 3.02Å; G449-V452 WeakPolarHBondContact O-CB 3.48Å; G449-V452 VanDerWaalsContact O-CG1 3.25Å; G449-V452 WeakPolarHBondContact O-CG1 3.38Å; G449-V452 PolarHBondContact O-N 2.86Å; G449-V452 VanDerWaalsContact O-N 3.13Å; V452-L454 PolarHBondContact O-N 2.75Å
453C97.6Very high96.8Very high54 Ų5430 Ų3037%0.36518%0.182SC..  trans-50.6127.7179-175.60000111F446 E456F446-C453 HydrophobicContact CB-CB 3.81Å; F446-C453 HydrophobicContact CD1-CB 3.89Å; F446-C453 HydrophobicContact CG-CB 4.33Å; F446-C453 WeakPolarHBondContact O-CB 3.41Å; F446-C453 PolarHBondContact O-N 3.42Å; C453-E456 HydrophobicContact CB-CB 4.29Å
454L95.3Very high96.8Very high24 Ų2428.5 Ų28.513%0.12618%0.176CC..THydrogen-bonded Turntrans-75-31-179.3-170.854000112.2I119 R132 V135 H136 I309 V452I119-L454 HydrophobicContact CD1-CD2 3.8Å; I119-L454 HydrophobicContact CG2-CD2 4.15Å; R132-L454 HydrophobicContact CG-CD1 3.85Å; R132-L454 HydrophobicContact CG-CD2 4.07Å; V135-L454 HydrophobicContact CB-CD2 3.77Å; V135-L454 HydrophobicContact CG1-CD2 3.46Å; V135-L454 VanDerWaalsContact CG1-CD2 3.46Å; V135-L454 HydrophobicContact CG1-CG 3.91Å; H136-L454 HydrophobicContact CB-CD1 4.02Å; I309-L454 HydrophobicContact CD1-CD2 4.1Å; V452-L454 PolarHBondContact O-N 2.75Å
455G95.2Very high96.8Very high24 Ų2427.8 Ų27.825%0.24717%0.172CC..THydrogen-bonded Turntrans-93.814.2-179.300000114.7A457 L458 A459G455-A457 VanDerWaalsContact C-N 3.3Å; G455-A457 PolarHBondContact O-N 2.84Å; G455-L458 PolarHBondContact O-N 3.37Å; G455-A459 WeakPolarHBondContact O-CB 3.41Å; G455-A459 PolarHBondContact O-N 3.26Å
456E95.1Very high96.8Very high59 Ų5927 Ų2728%0.27617%0.167SC..Hα-helixtrans-54.2-44.7-175.2174.6177172.900112.7F446 C453 K460F446-E456 HydrophobicContact CB-CB 4.35Å; F446-E456 HydrophobicContact CB-CG 4.14Å; F446-E456 HydrophobicContact CD1-CB 4.02Å; F446-E456 HydrophobicContact CD1-CG 4.01Å; F446-E456 HydrophobicContact CD2-CG 3.76Å; F446-E456 HydrophobicContact CE1-CG 4.38Å; F446-E456 HydrophobicContact CE2-CG 4.17Å; F446-E456 HydrophobicContact CG-CB 4.07Å; F446-E456 HydrophobicContact CG-CG 3.69Å; F446-E456 HydrophobicContact CZ-CG 4.46Å; C453-E456 HydrophobicContact CB-CB 4.29Å; E456-K460 HydrophobicContact CG-CD 4.09Å; E456-K460 WeakPolarHBondContact O-CB 3.36Å; E456-K460 WeakPolarHBondContact O-CG 3.35Å; E456-K460 PolarHBondContact O-N 2.88Å; E456-K460 VanDerWaalsContact O-N 3.08Å; E456-K460 WeakPolarHBondContact OE1-CE 2.99Å; E456-K460 IonicContact OE1-NZ 3.2Å; E456-K460 PolarHBondContact OE1-NZ 2.68Å
457A93.1Very high96.9Very high64 Ų6425.8 Ų25.853%0.52916%0.162SC..Hα-helixtrans-64.4-46.9179.700000111.6G455 K460 M461G455-A457 VanDerWaalsContact C-N 3.3Å; G455-A457 PolarHBondContact O-N 2.84Å; A457-K460 PolarHBondContact O-N 2.75Å; A457-M461 WeakPolarHBondContact O-CG 3.27Å; A457-M461 PolarHBondContact O-N 3.28Å; A457-M461 VanDerWaalsContact O-N 3.12Å
458L94Very high96.9Very high15 Ų1525 Ų258%0.07915%0.154CC..Hα-helixtrans-60.9-50.9178.5178.662.7000111.1L139 I149 I153 V187 L191 G455 K460 M461 E462L139-L458 HydrophobicContact CD2-CD2 4.36Å; I149-L458 HydrophobicContact CG2-CD1 3.73Å; I153-L458 HydrophobicContact CD1-CD1 4.4Å; V187-L458 HydrophobicContact CG1-CD1 4.19Å; L191-L458 HydrophobicContact CD1-CD1 3.83Å; L191-L458 HydrophobicContact CD1-CD2 3.57Å; L191-L458 HydrophobicContact CD1-CG 4.37Å; G455-L458 PolarHBondContact O-N 3.37Å; L458-K460 VanDerWaalsContact C-N 3.31Å; L458-K460 PolarHBondContact O-N 2.83Å; L458-M461 WeakPolarHBondContact O-CB 3.39Å; L458-M461 PolarHBondContact O-N 2.94Å; L458-E462 HydrophobicContact CD1-CG 4.15Å; L458-E462 HydrophobicContact CG-CG 4.39Å; L458-E462 WeakPolarHBondContact O-CG 3.3Å; L458-E462 PolarHBondContact O-N 2.97Å
459A96.7Very high97Very high11 Ų1124.1 Ų24.19%0.09115%0.147CC..Hα-helixtrans-57.4-43.4179.300000111.7F446 G455 M461 E462 L463F446-A459 HydrophobicContact CE1-CB 4.08Å; F446-A459 HydrophobicContact CZ-CB 4.47Å; G455-A459 WeakPolarHBondContact O-CB 3.41Å; G455-A459 PolarHBondContact O-N 3.26Å; A459-M461 VanDerWaalsContact C-N 3.34Å; A459-M461 PolarHBondContact O-N 3.33Å; A459-E462 PolarHBondContact O-N 3.31Å; A459-L463 WeakPolarHBondContact O-CB 3.37Å; A459-L463 WeakPolarHBondContact O-CG 3.34Å; A459-L463 PolarHBondContact O-N 3.14Å
460K97.1Very high97Very high63 Ų6323.2 Ų23.227%0.27414%0.136SC..Hα-helixtrans-61.3-40.3176-76.8172.7173176.10112.5F446 E456 A457 L458 F464F446-K460 HydrophobicContact CE2-CG 4.3Å; F446-K460 HydrophobicContact CZ-CG 4.27Å; E456-K460 HydrophobicContact CG-CD 4.09Å; E456-K460 WeakPolarHBondContact O-CB 3.36Å; E456-K460 WeakPolarHBondContact O-CG 3.35Å; E456-K460 PolarHBondContact O-N 2.88Å; E456-K460 VanDerWaalsContact O-N 3.08Å; E456-K460 WeakPolarHBondContact OE1-CE 2.99Å; E456-K460 IonicContact OE1-NZ 3.2Å; E456-K460 PolarHBondContact OE1-NZ 2.68Å; A457-K460 PolarHBondContact O-N 2.75Å; L458-K460 VanDerWaalsContact C-N 3.31Å; L458-K460 PolarHBondContact O-N 2.83Å; K460-F464 VanDerWaalsContact O-CB 3.28Å; K460-F464 WeakPolarHBondContact O-CB 3.25Å; K460-F464 PolarHBondContact O-N 2.74Å
461M96.3Very high97.1Very high34 Ų3420.9 Ų20.917%0.16712%0.124CC..Hα-helixtrans-66.5-47.4177.1-66.2176.6-172.700111.5I149 I153 L355 A457 L458 A459 F464 L465I149-M461 HydrophobicContact CG2-SD 3.98Å; I153-M461 HydrophobicContact CD1-CB 3.7Å; L355-M461 HydrophobicContact CD1-CB 4.34Å; L355-M461 HydrophobicContact CD1-CG 3.86Å; L355-M461 HydrophobicContact CD2-CE 3.86Å; L355-M461 HydrophobicContact CD2-CG 3.9Å; L355-M461 HydrophobicContact CD2-SD 3.92Å; A457-M461 WeakPolarHBondContact O-CG 3.27Å; A457-M461 PolarHBondContact O-N 3.28Å; A457-M461 VanDerWaalsContact O-N 3.12Å; L458-M461 WeakPolarHBondContact O-CB 3.39Å; L458-M461 PolarHBondContact O-N 2.94Å; A459-M461 VanDerWaalsContact C-N 3.34Å; A459-M461 PolarHBondContact O-N 3.33Å; M461-F464 PolarHBondContact O-N 2.93Å; M461-L465 WeakPolarHBondContact O-CB 3.15Å; M461-L465 WeakPolarHBondContact O-CG 3.45Å; M461-L465 PolarHBondContact O-N 2.9Å
462E97.9Very high97.1Very high0 Ų019.6 Ų19.60%012%0.119CC..Hα-helixtrans-62.1-50.3179.9-70-170.1-86.100111.6I153 V187 T317 L458 A459 F464 L465 F466I153-E462 HydrophobicContact CD1-CG 3.76Å; I153-E462 HydrophobicContact CG1-CG 4.04Å; V187-E462 HydrophobicContact CG1-CG 4.33Å; T317-E462 HydrophobicContact CG2-CB 3.71Å; T317-E462 HydrophobicContact CG2-CG 4.44Å; T317-E462 PolarHBondContact OG1-OE1 3.35Å; L458-E462 HydrophobicContact CD1-CG 4.15Å; L458-E462 HydrophobicContact CG-CG 4.39Å; L458-E462 WeakPolarHBondContact O-CG 3.3Å; L458-E462 PolarHBondContact O-N 2.97Å; A459-E462 PolarHBondContact O-N 3.31Å; E462-F464 VanDerWaalsContact C-N 3.32Å; E462-F464 PolarHBondContact O-N 3.45Å; E462-L465 PolarHBondContact O-N 3.02Å; E462-F466 HydrophobicContact CB-CD2 3.99Å; E462-F466 HydrophobicContact CB-CE2 4.01Å; E462-F466 HydrophobicContact CG-CE2 4.22Å; E462-F466 WeakPolarHBondContact O-CB 3.39Å; E462-F466 WeakPolarHBondContact O-CD2 3.2Å; E462-F466 PolarHBondContact O-N 3.45Å
463L98.8Very high97Very high2 Ų218.7 Ų18.71%0.0111%0.112CC..Hα-helixtrans-57.8-46.4179.7-68.3173.3000111.6T317 V320 L321 I368 L372 A459 L467T317-L463 HydrophobicContact CG2-CD2 4.34Å; V320-L463 HydrophobicContact CB-CD1 4.43Å; V320-L463 HydrophobicContact CB-CD2 3.81Å; V320-L463 HydrophobicContact CG1-CD1 3.74Å; V320-L463 HydrophobicContact CG1-CD2 3.51Å; V320-L463 HydrophobicContact CG1-CG 4.29Å; L321-L463 HydrophobicContact CD2-CD2 3.76Å; L321-L463 HydrophobicContact CG-CD2 3.82Å; I368-L463 HydrophobicContact CD1-CB 4.27Å; I368-L463 HydrophobicContact CG2-CB 4.13Å; I368-L463 HydrophobicContact CG2-CD1 3.96Å; L372-L463 HydrophobicContact CD1-CD1 4.46Å; A459-L463 WeakPolarHBondContact O-CB 3.37Å; A459-L463 WeakPolarHBondContact O-CG 3.34Å; A459-L463 PolarHBondContact O-N 3.14Å; L463-L467 VanDerWaalsContact O-CB 3.25Å; L463-L467 WeakPolarHBondContact O-CB 3.34Å; L463-L467 WeakPolarHBondContact O-CD1 3.48Å; L463-L467 WeakPolarHBondContact O-CG 3.46Å; L463-L467 PolarHBondContact O-N 2.8Å
464F98.8Very high96.8Very high0 Ų016.2 Ų16.20%010%0.095CC..Hα-helixtrans-64-51.3179173.2-103.1000112.5R354 L355 D357 R358 L361 L364 E365 I368 K460 M461 E462 S468R354-F464 WeakPolarHBondContact O-CE1 3.5Å; L355-F464 HydrophobicContact CD1-CD1 4.29Å; D357-F464 HydrophobicContact CB-CZ 4.42Å; R358-F464 HydrophobicContact CB-CD1 4.27Å; R358-F464 HydrophobicContact CB-CD2 4.42Å; R358-F464 HydrophobicContact CB-CE1 3.92Å; R358-F464 HydrophobicContact CB-CE2 4.04Å; R358-F464 HydrophobicContact CB-CZ 3.78Å; R358-F464 HydrophobicContact CG-CD1 4.37Å; R358-F464 HydrophobicContact CG-CD2 3.99Å; R358-F464 HydrophobicContact CG-CE1 4.42Å; R358-F464 HydrophobicContact CG-CE2 4Å; R358-F464 HydrophobicContact CG-CG 4.15Å; R358-F464 HydrophobicContact CG-CZ 4.23Å; L361-F464 HydrophobicContact CB-CE2 4.18Å; L361-F464 HydrophobicContact CD1-CE2 3.71Å; L361-F464 HydrophobicContact CD1-CZ 3.75Å; L361-F464 HydrophobicContact CG-CE2 4.47Å; L364-F464 HydrophobicContact CD2-CD2 3.79Å; L364-F464 HydrophobicContact CD2-CE2 3.78Å; L364-F464 HydrophobicContact CG-CD2 4.33Å; E365-F464 HydrophobicContact CG-CD2 4.39Å; E365-F464 WeakPolarHBondContact OE1-CD2 3.45Å; E365-F464 WeakPolarHBondContact OE1-CG 3.45Å; I368-F464 HydrophobicContact CD1-CB 4.24Å; K460-F464 VanDerWaalsContact O-CB 3.28Å; K460-F464 WeakPolarHBondContact O-CB 3.25Å; K460-F464 PolarHBondContact O-N 2.74Å; M461-F464 PolarHBondContact O-N 2.93Å; E462-F464 VanDerWaalsContact C-N 3.32Å; E462-F464 PolarHBondContact O-N 3.45Å; F464-S468 VanDerWaalsContact O-CB 3.26Å; F464-S468 WeakPolarHBondContact O-CB 3.37Å; F464-S468 PolarHBondContact O-N 3.37Å; F464-S468 PolarHBondContact O-OG 3.44Å
465L98.6Very high96.8Very high0 Ų017.5 Ų17.50%010%0.104CC..Hα-helixtrans-69.8-46-175.3-72.9170.7000111.7E150 I153 M461 E462 L467 S468 W469E150-L465 HydrophobicContact CG-CD1 4.13Å; I153-L465 HydrophobicContact CB-CD1 3.83Å; I153-L465 HydrophobicContact CD1-CD1 4.18Å; I153-L465 HydrophobicContact CG2-CB 3.6Å; I153-L465 HydrophobicContact CG2-CD1 3.6Å; I153-L465 HydrophobicContact CG2-CG 4.24Å; M461-L465 WeakPolarHBondContact O-CB 3.15Å; M461-L465 WeakPolarHBondContact O-CG 3.45Å; M461-L465 PolarHBondContact O-N 2.9Å; E462-L465 PolarHBondContact O-N 3.02Å; L465-L467 PolarHBondContact O-N 2.84Å; L465-S468 WeakPolarHBondContact CA-OG 3.42Å; L465-S468 PolarHBondContact O-N 3.48Å; L465-S468 PolarHBondContact O-OG 2.86Å; L465-S468 VanDerWaalsContact O-OG 3.06Å; L465-W469 VanDerWaalsContact O-CB 3.28Å; L465-W469 WeakPolarHBondContact O-CB 3.21Å; L465-W469 PolarHBondContact O-N 2.95Å
466F98.7Very high96.8Very high1 Ų116.5 Ų16.50%0.0049%0.092CC..Hα-helixtrans-62-45.9178.5-74-56.9000111.7I153 E156 A157 L160 A183 V184 V187 L321 E462 I470I153-F466 HydrophobicContact CG2-CE2 4.18Å; I153-F466 HydrophobicContact CG2-CZ 4.2Å; E156-F466 HydrophobicContact CB-CE1 4.33Å; E156-F466 HydrophobicContact CB-CZ 4.35Å; A157-F466 HydrophobicContact CB-CD1 3.84Å; A157-F466 HydrophobicContact CB-CE1 3.96Å; L160-F466 HydrophobicContact CD2-CD1 4.26Å; A183-F466 HydrophobicContact CB-CE1 3.69Å; A183-F466 HydrophobicContact CB-CZ 3.9Å; V184-F466 HydrophobicContact CG2-CD2 4.26Å; V184-F466 HydrophobicContact CG2-CE2 3.79Å; V184-F466 HydrophobicContact CG2-CZ 4.4Å; V187-F466 HydrophobicContact CG2-CZ 4.07Å; L321-F466 HydrophobicContact CD1-CB 4.23Å; L321-F466 HydrophobicContact CD1-CD2 3.85Å; L321-F466 HydrophobicContact CD1-CG 4.26Å; L321-F466 HydrophobicContact CD2-CB 3.95Å; E462-F466 HydrophobicContact CB-CD2 3.99Å; E462-F466 HydrophobicContact CB-CE2 4.01Å; E462-F466 HydrophobicContact CG-CE2 4.22Å; E462-F466 WeakPolarHBondContact O-CB 3.39Å; E462-F466 WeakPolarHBondContact O-CD2 3.2Å; E462-F466 PolarHBondContact O-N 3.45Å; F466-I470 WeakPolarHBondContact O-CB 3.44Å; F466-I470 WeakPolarHBondContact O-CD1 3.15Å; F466-I470 WeakPolarHBondContact O-CG1 3.22Å; F466-I470 PolarHBondContact O-N 3.34Å
467L98.7Very high96.7Very high4 Ų415.6 Ų15.62%0.0219%0.093CC..Hα-helixtrans-67.3-44.3-179.9-68.8172.5000112.3L321 A324 L328 L364 I368 L463 L465 W469 I470 L471L321-L467 HydrophobicContact CD2-CD2 4.13Å; L321-L467 HydrophobicContact CD2-CG 3.92Å; A324-L467 HydrophobicContact CB-CD1 3.91Å; A324-L467 HydrophobicContact CB-CD2 3.89Å; L328-L467 HydrophobicContact CD1-CD2 4.17Å; L364-L467 HydrophobicContact CD1-CB 3.98Å; L364-L467 HydrophobicContact CD1-CD1 4.48Å; I368-L467 HydrophobicContact CD1-CD1 4.09Å; I368-L467 HydrophobicContact CG1-CD1 3.65Å; L463-L467 VanDerWaalsContact O-CB 3.25Å; L463-L467 WeakPolarHBondContact O-CB 3.34Å; L463-L467 WeakPolarHBondContact O-CD1 3.48Å; L463-L467 WeakPolarHBondContact O-CG 3.46Å; L463-L467 PolarHBondContact O-N 2.8Å; L465-L467 PolarHBondContact O-N 2.84Å; L467-W469 PolarHBondContact O-N 3.44Å; L467-I470 PolarHBondContact O-N 3.29Å; L467-L471 VanDerWaalsContact O-CB 3.28Å; L467-L471 WeakPolarHBondContact O-CB 3.47Å; L467-L471 VanDerWaalsContact O-CG 3.29Å; L467-L471 WeakPolarHBondContact O-CG 3.3Å; L467-L471 PolarHBondContact O-N 2.96Å
468S98.6Very high96.6Very high0 Ų014.3 Ų14.30%08%0.078CC..Hα-helixtrans-62.5-41.8177.956.60000112.1P353 F464 L465 Q472P353-S468 WeakPolarHBondContact CB-OG 3.38Å; F464-S468 VanDerWaalsContact O-CB 3.26Å; F464-S468 WeakPolarHBondContact O-CB 3.37Å; F464-S468 PolarHBondContact O-N 3.37Å; F464-S468 PolarHBondContact O-OG 3.44Å; L465-S468 WeakPolarHBondContact CA-OG 3.42Å; L465-S468 PolarHBondContact O-N 3.48Å; L465-S468 PolarHBondContact O-OG 2.86Å; L465-S468 VanDerWaalsContact O-OG 3.06Å; S468-Q472 WeakPolarHBondContact O-CB 3.26Å; S468-Q472 PolarHBondContact O-N 3.4Å
469W98.3Very high96.3Very high10 Ų1013.9 Ų13.94%0.0388%0.076CC..Hα-helixtrans-65.6-44177.4-83.662.2000112.7C154 A157 Q158 S352 P353 L465 L467 R473C154-W469 HydrophobicContact CB-CH2 4.49Å; C154-W469 HydrophobicContact CB-CZ2 3.87Å; A157-W469 HydrophobicContact CB-CB 4.09Å; A157-W469 HydrophobicContact CB-CD2 3.74Å; A157-W469 HydrophobicContact CB-CE3 3.96Å; A157-W469 HydrophobicContact CB-CG 3.82Å; Q158-W469 HydrophobicContact CB-CE3 4.46Å; Q158-W469 HydrophobicContact CB-CH2 3.97Å; Q158-W469 HydrophobicContact CB-CZ3 3.53Å; Q158-W469 HydrophobicContact CG-CZ3 4.25Å; Q158-W469 VanDerWaalsContact OE1-CZ3 3.23Å; S352-W469 VanDerWaalsContact OG-CH2 3.3Å; S352-W469 WeakPolarHBondContact OG-CH2 3.26Å; P353-W469 PolarHBondContact O-NE1 3.03Å; L465-W469 VanDerWaalsContact O-CB 3.28Å; L465-W469 WeakPolarHBondContact O-CB 3.21Å; L465-W469 PolarHBondContact O-N 2.95Å; L467-W469 PolarHBondContact O-N 3.44Å; W469-R473 WeakPolarHBondContact O-CG 3.49Å
470I97.3Very high95.7Very high8 Ų818.5 Ų18.54%0.04111%0.106CC..Hα-helixtrans-63.9-50.8177.3-68.3164.3000109.9L160 L180 F466 L467 Q472 R473 F474 L476L160-I470 HydrophobicContact CD2-CD1 3.97Å; L160-I470 HydrophobicContact CD2-CG1 4.3Å; L180-I470 HydrophobicContact CD2-CD1 3.83Å; F466-I470 WeakPolarHBondContact O-CB 3.44Å; F466-I470 WeakPolarHBondContact O-CD1 3.15Å; F466-I470 WeakPolarHBondContact O-CG1 3.22Å; F466-I470 PolarHBondContact O-N 3.34Å; L467-I470 PolarHBondContact O-N 3.29Å; I470-Q472 PolarHBondContact O-N 3.45Å; I470-R473 PolarHBondContact O-N 2.95Å; I470-F474 HydrophobicContact CG2-CD2 4.47Å; I470-F474 WeakPolarHBondContact O-CD2 3.47Å; I470-F474 PolarHBondContact O-N 3.35Å; I470-L476 HydrophobicContact CG2-CD1 4.03Å; I470-L476 HydrophobicContact CG2-CD2 3.96Å; I470-L476 HydrophobicContact CG2-CG 4.27Å
471L97.8Very high95.2Very high1 Ų122.7 Ų22.71%0.00513%0.131CC..Hα-helixtrans-73.5-25.6-174.2-67.3174.3000113.3L328 Q336 I339 Q340 L343 L467 R473 R507L328-L471 HydrophobicContact CD1-CD1 3.99Å; L328-L471 HydrophobicContact CD1-CD2 4.24Å; L328-L471 HydrophobicContact CD2-CD1 4.24Å; Q336-L471 HydrophobicContact CG-CD2 3.63Å; I339-L471 HydrophobicContact CB-CD1 4.21Å; I339-L471 HydrophobicContact CD1-CD1 3.91Å; I339-L471 HydrophobicContact CG2-CB 4.33Å; I339-L471 HydrophobicContact CG2-CD1 3.6Å; Q340-L471 WeakPolarHBondContact CG-O 3.24Å; L343-L471 HydrophobicContact CD1-CB 3.84Å; L467-L471 VanDerWaalsContact O-CB 3.28Å; L467-L471 WeakPolarHBondContact O-CB 3.47Å; L467-L471 VanDerWaalsContact O-CG 3.29Å; L467-L471 WeakPolarHBondContact O-CG 3.3Å; L467-L471 PolarHBondContact O-N 2.96Å; L471-R473 PolarHBondContact O-N 3.31Å; L471-R507 VanDerWaalsContact O-CD 3.25Å; L471-R507 WeakPolarHBondContact O-CD 3.48Å
472Q97.4Very high94.8Very high1 Ų125.1 Ų25.11%0.00514%0.142CC..Hα-helixtrans-61.8-37.6171.7-173.5-170.44400110.9L343 G348 R351 P353 S468 I470 R507 W510L343-Q472 HydrophobicContact CD1-CB 4.34Å; G348-Q472 PolarHBondContact O-NE2 3.45Å; R351-Q472 PolarHBondContact O-NE2 2.89Å; P353-Q472 VanDerWaalsContact CD-OE1 3.23Å; S468-Q472 WeakPolarHBondContact O-CB 3.26Å; S468-Q472 PolarHBondContact O-N 3.4Å; I470-Q472 PolarHBondContact O-N 3.45Å; Q472-R507 WeakPolarHBondContact O-CD 3.24Å; Q472-R507 PolarHBondContact O-NH1 3.02Å; Q472-W510 HydrophobicContact CG-CH2 4.48Å; Q472-W510 HydrophobicContact CG-CZ2 3.71Å; Q472-W510 PolarHBondContact O-NE1 2.99Å
473R95.7Very high94.5Very high18 Ų1830.1 Ų30.17%0.06818%0.176CC..Hα-helixtrans-103.6-27.7-168.6-58.6-176.1-179.3-176.1-0.3114.1Q158 S352 W469 I470 L471 P506 R507 W510Q158-R473 VanDerWaalsContact OE1-NH1 3.16Å; S352-R473 PolarHBondContact OG-NH2 3.13Å; W469-R473 WeakPolarHBondContact O-CG 3.49Å; I470-R473 PolarHBondContact O-N 2.95Å; L471-R473 PolarHBondContact O-N 3.31Å; R473-P506 CarbonylContact O-C 3.35Å; R473-P506 WeakPolarHBondContact O-CA 3.49Å; R473-R507 PolarHBondContact O-N 3.21Å; R473-W510 HydrophobicContact CB-CD2 4.18Å; R473-W510 HydrophobicContact CB-CE3 4.31Å; R473-W510 HydrophobicContact CB-CG 4.35Å; R473-W510 HydrophobicContact CG-CD2 3.8Å; R473-W510 HydrophobicContact CG-CE3 3.64Å; R473-W510 HydrophobicContact CG-CG 4.47Å; R473-W510 HydrophobicContact CG-CH2 4.06Å; R473-W510 HydrophobicContact CG-CZ2 4.21Å; R473-W510 HydrophobicContact CG-CZ3 3.78Å
474F94.7Very high94.2Very high2 Ų234.1 Ų34.11%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-131.5148.8-170.4-50.9-75.7000112.5C161 V164 S165 Q340 I470 L476 A504 T505 P506C161-F474 HydrophobicContact CB-CE2 4Å; C161-F474 HydrophobicContact CB-CZ 4.44Å; C161-F474 WeakPolarHBondContact O-CZ 3.31Å; V164-F474 HydrophobicContact CB-CE1 4.3Å; V164-F474 HydrophobicContact CB-CE2 4.01Å; V164-F474 HydrophobicContact CB-CZ 3.83Å; V164-F474 HydrophobicContact CG1-CD1 3.9Å; V164-F474 HydrophobicContact CG1-CD2 4.04Å; V164-F474 HydrophobicContact CG1-CE1 3.7Å; V164-F474 HydrophobicContact CG1-CE2 3.84Å; V164-F474 HydrophobicContact CG1-CG 4.07Å; V164-F474 HydrophobicContact CG1-CZ 3.66Å; S165-F474 VanDerWaalsContact OG-CZ 3.27Å; S165-F474 WeakPolarHBondContact OG-CZ 3.48Å; Q340-F474 PolarHBondContact NE2-O 3.49Å; I470-F474 HydrophobicContact CG2-CD2 4.47Å; I470-F474 WeakPolarHBondContact O-CD2 3.47Å; I470-F474 PolarHBondContact O-N 3.35Å; F474-L476 HydrophobicContact CB-CD2 4.43Å; F474-A504 HydrophobicContact CB-CB 4.19Å; F474-A504 HydrophobicContact CD1-CB 4.42Å; F474-A504 HydrophobicContact CG-CB 4.33Å; F474-T505 CarbonylContact C-O 3.43Å; F474-T505 VanDerWaalsContact CA-O 3.29Å; F474-T505 WeakPolarHBondContact CA-O 3.47Å; F474-P506 HydrophobicContact CD1-CG 4.29Å; F474-P506 HydrophobicContact CE1-CG 4.24Å
475T95.1Very high93.9Very high51 Ų5134.6 Ų34.631%0.31320%0.2SC..EExtended strand (participates in β ladder)trans-101.2123.5160.6-59.60000108.6Q340 T505Q340-T475 PolarHBondContact NE2-OG1 3.41Å; Q340-T475 VanDerWaalsContact NE2-OG1 3.12Å; T475-T505 PolarHBondContact N-O 3.1Å; T475-T505 PolarHBondContact O-N 3.44Å
476L94.3Very high93.7Very high2 Ų237 Ų371%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-90.2133.6178.6-53-176.4000109.7L176 V325 I329 Q336 I470 F474 V502 A504L176-L476 HydrophobicContact CD1-CD2 3.97Å; V325-L476 HydrophobicContact CB-CD1 4.48Å; V325-L476 HydrophobicContact CG1-CD1 4.06Å; V325-L476 HydrophobicContact CG2-CD1 3.99Å; I329-L476 HydrophobicContact CG2-CB 3.72Å; Q336-L476 PolarHBondContact NE2-O 3.26Å; Q336-L476 PolarHBondContact OE1-O 3.27Å; I470-L476 HydrophobicContact CG2-CD1 4.03Å; I470-L476 HydrophobicContact CG2-CD2 3.96Å; I470-L476 HydrophobicContact CG2-CG 4.27Å; F474-L476 HydrophobicContact CB-CD2 4.43Å; L476-V502 HydrophobicContact CB-CG1 3.96Å; L476-V502 HydrophobicContact CD2-CG1 4.18Å; L476-A504 HydrophobicContact CD2-CB 3.74Å
477S92.6Very high93.6Very high40 Ų4039.3 Ų39.328%0.2823%0.23SC..EExtended strand (participates in β ladder)trans-145.4163.5-178.556.50000110.8K503S477-K503 PolarHBondContact N-O 2.95Å; S477-K503 PolarHBondContact O-N 3Å; S477-K503 PolarHBondContact OG-O 3.2Å; S477-K503 VanDerWaalsContact OG-O 3.1Å
478V91.6Very high93.3Very high38 Ų3846.2 Ų46.223%0.2326%0.262CS..  trans-72.2136.1169.3-174.60000108.7I329 H482 S483 L484I329-V478 HydrophobicContact CD1-CG2 4.06Å; I329-V478 HydrophobicContact CG1-CG2 4.48Å; V478-H482 HydrophobicContact CG1-CB 3.74Å; V478-H482 WeakPolarHBondContact CG1-O 3.32Å; V478-S483 WeakPolarHBondContact CG1-O 3.46Å; V478-L484 HydrophobicContact CG2-CD2 3.59Å; V478-L484 HydrophobicContact CG2-CG 4.17Å
479P87.8Confident93Very high6 Ų647.3 Ų47.34%0.03927%0.272CS..  trans-57.4148.4172.2-2332.9000111.8A173 D481 H482 K501 K503A173-P479 HydrophobicContact CB-CB 4.48Å; A173-P479 HydrophobicContact CB-CG 4.48Å; P479-D481 PolarHBondContact O-N 3.33Å; P479-H482 HydrophobicContact CB-CB 4.33Å; P479-H482 HydrophobicContact CG-CB 4.48Å; P479-H482 PolarHBondContact O-N 3.18Å; P479-K501 WeakPolarHBondContact CD-O 3.34Å; P479-K501 HydrophobicContact CG-CB 4Å; P479-K503 HydrophobicContact CG-CB 4.38Å
480P84.8Confident92.7Very high108 Ų10851 Ų5170%0.70129%0.289SS*.THydrogen-bonded Turntrans-51.9-35.1-173.5-29.435.5000115.4
481D86Confident92.4Very high150 Ų15052.9 Ų52.980%0.80230%0.297SS*.THydrogen-bonded Turntrans-95.415.1-176.9-52-52.9000113.9P479P479-D481 PolarHBondContact O-N 3.33Å
482H87Confident91.9Very high86 Ų8653.4 Ų53.440%0.39830%0.302SS..  trans-123.3150.2-175.2-66.756.8000110.9V478 P479V478-H482 HydrophobicContact CG1-CB 3.74Å; V478-H482 WeakPolarHBondContact CG1-O 3.32Å; P479-H482 HydrophobicContact CB-CB 4.33Å; P479-H482 HydrophobicContact CG-CB 4.48Å; P479-H482 PolarHBondContact O-N 3.18Å
483S91.6Very high91.5Very high104 Ų10455.8 Ų55.873%0.72732%0.317SS*.PPolyproline II helixtrans-83.9163.8169.263.40000110.9V478V478-S483 WeakPolarHBondContact CG1-O 3.46Å
484L93.8Very high91.3Very high86 Ų8655.4 Ų55.445%0.4532%0.317SS..PPolyproline II helixtrans-51.4140.3165.9-78166000110.3I329 V478I329-L484 HydrophobicContact CG1-CD2 4.5Å; I329-L484 WeakPolarHBondContact O-CD2 3.35Å; V478-L484 HydrophobicContact CG2-CD2 3.59Å; V478-L484 HydrophobicContact CG2-CG 4.17Å
485P92.9Very high91.4Very high10 Ų1055.4 Ų55.47%0.06532%0.316CS..PPolyproline II helixtrans-62.6149.2177.2-19.230.3000111.2T326 I329 H330 L487 Y500T326-P485 HydrophobicContact CG2-CB 3.99Å; T326-P485 HydrophobicContact CG2-CG 4.23Å; I329-P485 HydrophobicContact CD1-CG 3.68Å; H330-P485 PolarHBondContact NE2-O 2.93Å; P485-L487 PolarHBondContact O-N 3.42Å; P485-Y500 HydrophobicContact CB-CD1 3.92Å; P485-Y500 HydrophobicContact CB-CG 3.8Å; P485-Y500 HydrophobicContact CG-CD1 4.09Å; P485-Y500 HydrophobicContact CG-CD2 3.8Å; P485-Y500 HydrophobicContact CG-CG 3.54Å
486S94.3Very high91.4Very high50 Ų5053.6 Ų53.635%0.3531%0.305SS..PPolyproline II helixtrans-61136.8169.8-175.10000110.2E488S486-E488 WeakPolarHBondContact OG-CB 3.47Å; S486-E488 PolarHBondContact OG-N 3.41Å
487L95.4Very high91.4Very high51 Ų5154.1 Ų54.127%0.26731%0.308SS..  trans-83.9-3.3169.8-60.9-179.8000111.8W323 T326 Y327 R375 P485W323-L487 WeakPolarHBondContact CH2-O 3.28Å; T326-L487 HydrophobicContact CG2-CD2 3.63Å; Y327-L487 HydrophobicContact CE1-CD1 4.27Å; Y327-L487 HydrophobicContact CE1-CD2 4.23Å; Y327-L487 HydrophobicContact CE2-CD2 4.45Å; R375-L487 PolarHBondContact NE-O 2.91Å; R375-L487 PolarHBondContact NH1-O 3.35Å; R375-L487 PolarHBondContact NH2-O 2.87Å; P485-L487 PolarHBondContact O-N 3.42Å
488E92.5Very high91.3Very high149 Ų14955 Ų5570%0.69631%0.312SS*.  trans-69.4131.9169.8-62.4-175.9167.600110.3S486S486-E488 WeakPolarHBondContact OG-CB 3.47Å; S486-E488 PolarHBondContact OG-N 3.41Å
489G92.6Very high91.2Very high22 Ų2263 Ų6323%0.22734%0.343CS..EExtended strand (participates in β ladder)trans-96.5141.6178.600000112.2F491 Q496G489-F491 PolarHBondContact O-N 3.47Å; G489-Q496 CarbonylContact C-O 3.53Å; G489-Q496 VanDerWaalsContact CA-O 3.32Å; G489-Q496 WeakPolarHBondContact CA-O 3.45Å
490K92Very high91.2Very high89 Ų8964.4 Ų64.439%0.38735%0.348SS..EExtended strand (participates in β ladder)trans-73.3108.6164.7-178.2-177.2172.1-169.60108.5D216 Q496D216-K490 WeakPolarHBondContact OD1-CE 3.37Å; D216-K490 IonicContact OD1-NZ 3.84Å; D216-K490 PolarHBondContact OD1-NZ 3.18Å; D216-K490 IonicContact OD2-NZ 2.73Å; K490-Q496 HydrophobicContact CB-CB 4.49Å; K490-Q496 PolarHBondContact N-O 2.84Å; K490-Q496 PolarHBondContact O-N 2.73Å
491F90.8Very high91.3Very high47 Ų4764.2 Ų64.221%0.20634%0.336CS..  trans-70.4141177.9178.9-98.8000111.8P55 P56 H57 P379 L380 G489P55-F491 HydrophobicContact CB-CB 4.09Å; P55-F491 HydrophobicContact CB-CG 4.38Å; P56-F491 HydrophobicContact CB-CE1 4.21Å; P56-F491 HydrophobicContact CB-CZ 4.08Å; P56-F491 HydrophobicContact CG-CD1 4.04Å; P56-F491 HydrophobicContact CG-CE1 3.57Å; P56-F491 HydrophobicContact CG-CZ 3.95Å; H57-F491 AromaticContact CE1-CD2 3.59Å; H57-F491 AromaticContact ND1-CD2 3.13Å; H57-F491 WeakPolarHBondContact ND1-CD2 3.43Å; H57-F491 AromaticContact ND1-CE2 3.46Å; H57-F491 WeakPolarHBondContact ND1-CE2 3.36Å; P379-F491 HydrophobicContact CG-CD2 3.96Å; P379-F491 HydrophobicContact CG-CE2 3.91Å; L380-F491 HydrophobicContact CD1-CE2 4.41Å; L380-F491 HydrophobicContact CD1-CZ 4.09Å; L380-F491 HydrophobicContact CG-CE2 4.4Å; G489-F491 PolarHBondContact O-N 3.47Å
492G88.1Confident91.4Very high11 Ų1157.1 Ų57.111%0.11330%0.299CS..SBendtrans-174.3-156.7175.500000109.5V494G492-V494 PolarHBondContact N-O 2.6Å; G492-V494 PolarHBondContact O-N 3.02Å
493V87.4Confident91.4Very high52 Ų5256.9 Ų56.932%0.31530%0.296SS..SBendtrans-53.2-39.2170176.40000110.7V218 A219V218-V493 HydrophobicContact CB-CG2 4.31Å; V218-V493 HydrophobicContact CG1-CG2 3.97Å; A219-V493 HydrophobicContact CB-CG2 3.63Å
494V93.3Very high91.4Very high10 Ų1052.6 Ų52.66%0.06127%0.267CS..SBendtrans-116.4146.7168.6-65.70000110.3V215 E315 T316 V377 G492 Q496V215-V494 HydrophobicContact CG1-CG2 4.2Å; E315-V494 HydrophobicContact CG-CB 4.47Å; E315-V494 HydrophobicContact CG-CG1 4.16Å; E315-V494 HydrophobicContact CG-CG2 3.57Å; T316-V494 HydrophobicContact CG2-CG1 4.2Å; V377-V494 HydrophobicContact CG2-CB 4.25Å; V377-V494 HydrophobicContact CG2-CG1 3.94Å; V377-V494 CarbonylContact O-C 3.59Å; V377-V494 WeakPolarHBondContact O-CA 3.49Å; G492-V494 PolarHBondContact N-O 2.6Å; G492-V494 PolarHBondContact O-N 3.02Å; V494-Q496 HydrophobicContact CG2-CG 3.67Å; V494-Q496 PolarHBondContact O-N 3.14Å
495L95.4Very high91.2Very high1 Ų151.4 Ų51.41%0.00526%0.263CS..  trans-85.395.7173.8-177.565.1000109.5T319 W323 V377 P379 W408T319-L495 WeakPolarHBondContact CG2-O 3.18Å; W323-L495 HydrophobicContact CZ2-CG 4.36Å; W323-L495 PolarHBondContact NE1-O 3.13Å; V377-L495 PolarHBondContact O-N 3.24Å; P379-L495 HydrophobicContact CG-CB 4Å; P379-L495 HydrophobicContact CG-CD2 4.3Å; W408-L495 HydrophobicContact CE3-CD2 4.46Å; W408-L495 HydrophobicContact CZ3-CD2 4.21Å
496Q94.5Very high91.2Very high14 Ų1452.4 Ų52.47%0.06527%0.27CS..EExtended strand (participates in β ladder)trans-86.9142.7-176.7-55.2179.6-57.700110.9E315 G489 K490 V494E315-Q496 PolarHBondContact OE1-NE2 3.16Å; G489-Q496 CarbonylContact C-O 3.53Å; G489-Q496 VanDerWaalsContact CA-O 3.32Å; G489-Q496 WeakPolarHBondContact CA-O 3.45Å; K490-Q496 HydrophobicContact CB-CB 4.49Å; K490-Q496 PolarHBondContact N-O 2.84Å; K490-Q496 PolarHBondContact O-N 2.73Å; V494-Q496 HydrophobicContact CG2-CG 3.67Å; V494-Q496 PolarHBondContact O-N 3.14Å
497P94.5Very high91.1Very high13 Ų1350.9 Ų50.98%0.08426%0.257CS..EExtended strand (participates in β ladder)trans-67.1157164.927.8-29.2000110.2K322 W323 Y500K322-P497 HydrophobicContact CB-CG 3.56Å; K322-P497 HydrophobicContact CD-CG 4.42Å; W323-P497 HydrophobicContact CD2-CB 3.94Å; W323-P497 HydrophobicContact CD2-CG 4.2Å; W323-P497 HydrophobicContact CE3-CB 3.95Å; W323-P497 HydrophobicContact CG-CG 4.49Å; W323-P497 HydrophobicContact CH2-CB 3.81Å; W323-P497 VanDerWaalsContact CZ2-CA 3.45Å; W323-P497 HydrophobicContact CZ2-CB 3.79Å; W323-P497 HydrophobicContact CZ2-CG 4.5Å; W323-P497 HydrophobicContact CZ3-CB 3.89Å; P497-Y500 HydrophobicContact CB-CE1 4.15Å; P497-Y500 HydrophobicContact CG-CE1 4.17Å
498V91Very high90.7Very high59 Ų5953.8 Ų53.836%0.35828%0.278SS..PPolyproline II helixtrans-61158.3167.6-61.70000110.3Y500V498-Y500 WeakPolarHBondContact O-CD1 3.41Å; V498-Y500 PolarHBondContact O-N 3Å
499K89.1Confident90.3Very high206 Ų20649.7 Ų49.790%0.89628%0.276SS*.PPolyproline II helixtrans-65.2134.6176.1-66.8-176.3178.1-176.40110
500Y88.3Confident89.8Confident34 Ų3451.1 Ų51.113%0.13327%0.274CS..  trans-145.6162.2175.561.3-90.9000110.7K322 V325 T326 P485 P497 V498 V502K322-Y500 VanDerWaalsContact C-OH 3.26Å; K322-Y500 WeakPolarHBondContact CA-OH 3.27Å; K322-Y500 HydrophobicContact CB-CE1 4.47Å; K322-Y500 WeakPolarHBondContact CB-OH 3.27Å; K322-Y500 PolarHBondContact O-OH 3.5Å; V325-Y500 HydrophobicContact CG1-CE2 3.99Å; T326-Y500 WeakPolarHBondContact OG1-CE1 3.05Å; T326-Y500 PolarHBondContact OG1-OH 3.4Å; P485-Y500 HydrophobicContact CB-CD1 3.92Å; P485-Y500 HydrophobicContact CB-CG 3.8Å; P485-Y500 HydrophobicContact CG-CD1 4.09Å; P485-Y500 HydrophobicContact CG-CD2 3.8Å; P485-Y500 HydrophobicContact CG-CG 3.54Å; P497-Y500 HydrophobicContact CB-CE1 4.15Å; P497-Y500 HydrophobicContact CG-CE1 4.17Å; V498-Y500 WeakPolarHBondContact O-CD1 3.41Å; V498-Y500 PolarHBondContact O-N 3Å; Y500-V502 HydrophobicContact CD2-CG2 3.54Å; Y500-V502 HydrophobicContact CE2-CG2 3.39Å
501K86.4Confident88.8Confident104 Ų10452 Ų5245%0.45228%0.28SS..  trans-108.5151.9174.2-65.6-172.2-176.1175.80110.2P479P479-K501 WeakPolarHBondContact CD-O 3.34Å; P479-K501 HydrophobicContact CG-CB 4Å
502V88.3Confident87.3Confident2 Ų260.3 Ų60.31%0.01231%0.31CS..  trans-133.6139.4179.5178.30000109.1L176 V325 I329 L476 Y500L176-V502 HydrophobicContact CD1-CB 3.75Å; L176-V502 HydrophobicContact CD1-CG1 3.64Å; L176-V502 HydrophobicContact CD1-CG2 4.47Å; L176-V502 HydrophobicContact CG-CB 4.31Å; V325-V502 HydrophobicContact CG1-CG1 4.37Å; V325-V502 HydrophobicContact CG1-CG2 3.71Å; I329-V502 HydrophobicContact CD1-CG2 4.17Å; I329-V502 HydrophobicContact CG2-CG1 4.37Å; L476-V502 HydrophobicContact CB-CG1 3.96Å; L476-V502 HydrophobicContact CD2-CG1 4.18Å; Y500-V502 HydrophobicContact CD2-CG2 3.54Å; Y500-V502 HydrophobicContact CE2-CG2 3.39Å
503K87.8Confident85.4Confident81 Ų8163.7 Ų63.735%0.35234%0.337SS..EExtended strand (participates in β ladder)trans-97.8117.2167.8-177.9179.9178.1-179.30108.7S477 P479S477-K503 PolarHBondContact N-O 2.95Å; S477-K503 PolarHBondContact O-N 3Å; S477-K503 PolarHBondContact OG-O 3.2Å; S477-K503 VanDerWaalsContact OG-O 3.1Å; P479-K503 HydrophobicContact CG-CB 4.38Å
504A90.4Very high83.2Confident14 Ų1469.6 Ų69.612%0.11636%0.358CS..EExtended strand (participates in β ladder)trans-95.2122.2169.900000109.3V164 F474 L476V164-A504 HydrophobicContact CG1-CB 3.39Å; F474-A504 HydrophobicContact CB-CB 4.19Å; F474-A504 HydrophobicContact CD1-CB 4.42Å; F474-A504 HydrophobicContact CG-CB 4.33Å; L476-A504 HydrophobicContact CD2-CB 3.74Å
505T90.7Very high80.4Confident60 Ų6074.9 Ų74.937%0.36840%0.395SS..EExtended strand (participates in β ladder)trans-112.2126.9178.5-53.20000109F474 T475 R507F474-T505 CarbonylContact C-O 3.43Å; F474-T505 VanDerWaalsContact CA-O 3.29Å; F474-T505 WeakPolarHBondContact CA-O 3.47Å; T475-T505 PolarHBondContact N-O 3.1Å; T475-T505 PolarHBondContact O-N 3.44Å; T505-R507 PolarHBondContact O-N 3.04Å
506P92.1Very high77.3Confident31 Ų3182.6 Ų82.620%0.20143%0.431CS..EExtended strand (participates in β ladder)trans-54.5136.7176.1-26.634.1000111.3A168 R473 F474 E511A168-P506 HydrophobicContact CB-CG 3.74Å; R473-P506 CarbonylContact O-C 3.35Å; R473-P506 WeakPolarHBondContact O-CA 3.49Å; F474-P506 HydrophobicContact CD1-CG 4.29Å; F474-P506 HydrophobicContact CE1-CG 4.24Å; P506-E511 HydrophobicContact CB-CG 4.49Å
507R92.8Very high74.3Confident19 Ų1991 Ų917%0.07247%0.473CS..PPolyproline II helixtrans-76.1158.9175.1-67.8176.970.1-135.8-5.1110.3D344 L471 Q472 R473 T505 G509 W510D344-R507 IonicContact OD1-CZ 3.39Å; D344-R507 IonicContact OD1-NH1 2.8Å; D344-R507 PolarHBondContact OD1-NH1 3.42Å; D344-R507 IonicContact OD1-NH2 3.06Å; D344-R507 PolarHBondContact OD1-NH2 3.14Å; D344-R507 IonicContact OD2-CZ 3.71Å; D344-R507 IonicContact OD2-NH1 3.89Å; D344-R507 IonicContact OD2-NH2 2.66Å; D344-R507 PolarHBondContact OD2-NH2 3.48Å; L471-R507 VanDerWaalsContact O-CD 3.25Å; L471-R507 WeakPolarHBondContact O-CD 3.48Å; Q472-R507 WeakPolarHBondContact O-CD 3.24Å; Q472-R507 PolarHBondContact O-NH1 3.02Å; R473-R507 PolarHBondContact O-N 3.21Å; T505-R507 PolarHBondContact O-N 3.04Å; R507-G509 PolarHBondContact O-N 2.72Å; R507-W510 WeakPolarHBondContact O-CB 3.33Å; R507-W510 PolarHBondContact O-N 2.9Å
508P86.9Confident71.2Confident112 Ų11299.9 Ų99.973%0.72753%0.533SS*.THydrogen-bonded Turntrans-48.3128.1170.8-29.236.9000112.9E511P508-E511 VanDerWaalsContact CA-OE1 3.27Å; P508-E511 WeakPolarHBondContact CA-OE1 3.5Å
509G83.4Confident70.2Confident62 Ų62101.9 Ų101.964%0.63954%0.542SS*.THydrogen-bonded Turntrans91.3-6.1-175.600000115R507 E511R507-G509 PolarHBondContact O-N 2.72Å; G509-E511 WeakPolarHBondContact CA-OE2 3.43Å; G509-E511 PolarHBondContact N-OE2 3.48Å
510W83.1Confident69.2Low53 Ų5396.4 Ų96.420%0.20152%0.523CS..  trans-117.46.5179.8-6393.6000113.7A349 Q472 R473 R507 R512A349-W510 HydrophobicContact CB-CZ2 4.32Å; Q472-W510 HydrophobicContact CG-CH2 4.48Å; Q472-W510 HydrophobicContact CG-CZ2 3.71Å; Q472-W510 PolarHBondContact O-NE1 2.99Å; R473-W510 HydrophobicContact CB-CD2 4.18Å; R473-W510 HydrophobicContact CB-CE3 4.31Å; R473-W510 HydrophobicContact CB-CG 4.35Å; R473-W510 HydrophobicContact CG-CD2 3.8Å; R473-W510 HydrophobicContact CG-CE3 3.64Å; R473-W510 HydrophobicContact CG-CG 4.47Å; R473-W510 HydrophobicContact CG-CH2 4.06Å; R473-W510 HydrophobicContact CG-CZ2 4.21Å; R473-W510 HydrophobicContact CG-CZ3 3.78Å; R507-W510 WeakPolarHBondContact O-CB 3.33Å; R507-W510 PolarHBondContact O-N 2.9Å; W510-R512 VanDerWaalsContact C-N 3.33Å; W510-R512 PolarHBondContact O-N 3.39Å
511E71.4Confident68.2Low106 Ų10699.9 Ų99.950%0.49555%0.545SS..SBendtrans-73.4-23.4-173.8-54.495.1145.700113.9P506 P508 G509P506-E511 HydrophobicContact CB-CG 4.49Å; P508-E511 VanDerWaalsContact CA-OE1 3.27Å; P508-E511 WeakPolarHBondContact CA-OE1 3.5Å; G509-E511 WeakPolarHBondContact CA-OE2 3.43Å; G509-E511 PolarHBondContact N-OE2 3.48Å
512R57.2Low67.1Low222 Ų22299.6 Ų99.684%0.83855%0.551SS**SBendtrans-118.8109.2168.7-65.1-179.2-169.2177.13.6105.5W510 K514W510-R512 VanDerWaalsContact C-N 3.33Å; W510-R512 PolarHBondContact O-N 3.39Å; R512-K514 VanDerWaalsContact C-N 3.31Å; R512-K514 PolarHBondContact O-N 3.26Å
513A48.4Very low65.8Low82 Ų82105.8 Ų105.868%0.67858%0.584SS**  trans-48.8108.9158.700000105.5S515A513-S515 PolarHBondContact O-N 2.99Å
514K42.9Very low64.3Low176 Ų176107.4 Ų107.477%0.76560%0.6SS**  trans-50.6110.2178.3-81.6179178.51730105.5R512 Q516R512-K514 VanDerWaalsContact C-N 3.31Å; R512-K514 PolarHBondContact O-N 3.26Å; K514-Q516 PolarHBondContact O-N 3.5Å
515S33.7Very low62.4Low121 Ų121114.1 Ų114.185%0.84663%0.634SS**  trans-67.768.4172.549.60000108.2A513A513-S515 PolarHBondContact O-N 2.99Å
516Q29.8Very low60.3Low163 Ų163118.2 Ų118.276%0.76266%0.655SS**  trans-128.473168.8-81.8-174.4-30.200107.2K514K514-Q516 PolarHBondContact O-N 3.5Å
517M31.8Very low57.6Low190 Ų190125.5 Ų125.594%0.93669%0.693SS**  trans-64116135.3-74.9170.267.100106.3
518C29.8Very low54.4Low200 Ų200135.2 Ų135.2100%1.35175%0.749SS**  trans-121.50146.9-980000106.8

Retrieved 518 of 518 residues in 743.6 ms (Link to these results)

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