A0A087XEE0_POEFO Loading...

6-phosphogluconate dehydrogenase, decarboxylating

Catalyzes the oxidative decarboxylation of 6-phosphogluconate to ribulose 5-phosphate and CO(2), with concomitant reduction of NADP to NADPH.

AlphaFold DB , UniProt , Accession A0A087XEE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 486 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
1M44.1Very low86.5Confident252 Ų25243.6 Ų43.6100%1.24123%0.234SC*.  0112.50-70-178.5-134.500106.8
2A48.3Very low87.1Confident62 Ų6245.1 Ų45.151%0.51226%0.257SS..  cis-134.8139.4-3.400000106.7
3Q74.3Confident87.5Confident132 Ų13247.1 Ų47.162%0.61727%0.27SS*.  76.937.391.1-68.2179.9-20.500115.4D5 K64 K66Q3-D5 PolarHBondContact O-N 3.18Å; Q3-K64 PolarHBondContact N-O 3.33Å; Q3-K66 VanDerWaalsContact CB-CE 3.5Å; Q3-K66 HydrophobicContact CB-CG 4.35Å; Q3-K66 WeakPolarHBondContact O-CE 3.29Å
4A97.3Very high88Confident0 Ų047.6 Ų47.60%027%0.27CS..BIsolated β-bridgetrans-69131.9166.400000110.3V28 C30 K64 L65 K66A4-V28 CarbonylContact C-O 3.5Å; A4-V28 WeakPolarHBondContact CA-O 3.43Å; A4-V28 HydrophobicContact CB-CG1 4.31Å; A4-C30 HydrophobicContact CB-CB 3.89Å; A4-K64 PolarHBondContact N-O 2.76Å; A4-L65 HydrophobicContact CB-CD2 3.9Å; A4-K66 WeakPolarHBondContact O-CG 3.49Å; A4-K66 PolarHBondContact O-N 3.13Å
5D98.4Very high88.5Confident27 Ų2744.4 Ų44.414%0.14425%0.252CS..SBendtrans-70-34.9176.3-66.9-64.4000111.3Q3 F27 V28 K66 R70Q3-D5 PolarHBondContact O-N 3.18Å; D5-F27 HydrophobicContact CB-CB 4.23Å; D5-F27 HydrophobicContact CB-CD1 4.22Å; D5-V28 PolarHBondContact N-O 2.62Å; D5-V28 PolarHBondContact OD2-N 3.07Å; D5-K66 IonicContact OD1-NZ 3.65Å; D5-K66 PolarHBondContact OD1-NZ 2.63Å; D5-K66 IonicContact OD2-NZ 3.88Å; D5-R70 PolarHBondContact O-NE 3.34Å; D5-R70 PolarHBondContact O-NH2 3.31Å
6I98.7Very high89.1Confident0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-157151.3-176.3-167.1159.2000110.5M22 V29 C30 L65 R70 I72 I99 I159I6-M22 HydrophobicContact CD1-SD 4.41Å; I6-M22 HydrophobicContact CG2-CE 4.38Å; I6-M22 HydrophobicContact CG2-SD 3.66Å; I6-V29 HydrophobicContact CG2-CG1 4.18Å; I6-V29 HydrophobicContact CG2-CG2 4.06Å; I6-V29 CarbonylContact O-C 3.6Å; I6-V29 WeakPolarHBondContact O-CA 3.46Å; I6-C30 PolarHBondContact O-N 2.99Å; I6-L65 VanDerWaalsContact C-CD2 3.48Å; I6-R70 HydrophobicContact CB-CB 4.36Å; I6-R70 HydrophobicContact CD1-CB 4.11Å; I6-R70 HydrophobicContact CG1-CB 3.83Å; I6-R70 WeakPolarHBondContact CG1-O 3.33Å; I6-I72 HydrophobicContact CD1-CD1 3.53Å; I6-I72 HydrophobicContact CD1-CG1 3.78Å; I6-I72 HydrophobicContact CG1-CD1 4.26Å; I6-I72 HydrophobicContact CG1-CG1 4.25Å; I6-I99 HydrophobicContact CD1-CD1 4.32Å; I6-I159 HydrophobicContact CB-CD1 4.13Å; I6-I159 HydrophobicContact CD1-CD1 4.02Å; I6-I159 HydrophobicContact CD1-CG2 4.39Å; I6-I159 HydrophobicContact CG2-CD1 4.44Å
7A98.7Very high89.6Confident0 Ų043.4 Ų43.40%024%0.243CC..EExtended strand (participates in β ladder)trans-105.1150.1168.300000111C30 M61 L65 R70 I71 I72A7-C30 CarbonylContact C-O 3.32Å; A7-C30 WeakPolarHBondContact CA-O 3.26Å; A7-C30 HydrophobicContact CB-CB 4.18Å; A7-M61 HydrophobicContact CB-CE 4.37Å; A7-M61 HydrophobicContact CB-CG 3.85Å; A7-M61 HydrophobicContact CB-SD 3.67Å; A7-L65 HydrophobicContact CB-CD1 3.83Å; A7-L65 HydrophobicContact CB-CD2 3.71Å; A7-L65 HydrophobicContact CB-CG 4.28Å; A7-R70 PolarHBondContact N-O 3.21Å; A7-I71 HydrophobicContact CB-CG1 4.33Å; A7-I71 HydrophobicContact CB-CG2 4.35Å; A7-I72 PolarHBondContact O-N 3.24Å
8L98.7Very high90.1Very high0 Ų041.2 Ų41.20%023%0.231CC..EExtended strand (participates in β ladder)trans-128124.6167.2-171.1147.8000110.4G10 L18 I19 M22 C30 Y32 I72 L74L8-G10 WeakPolarHBondContact CD2-O 3.41Å; L8-L18 HydrophobicContact CD1-CB 4.3Å; L8-L18 HydrophobicContact CD1-CD2 4.01Å; L8-L18 HydrophobicContact CD1-CG 4.45Å; L8-I19 HydrophobicContact CB-CD1 4.04Å; L8-I19 HydrophobicContact CB-CG1 3.82Å; L8-I19 HydrophobicContact CD1-CG1 4.1Å; L8-I19 HydrophobicContact CD2-CD1 3.85Å; L8-I19 HydrophobicContact CD2-CG1 4.15Å; L8-I19 HydrophobicContact CG-CD1 4.39Å; L8-I19 HydrophobicContact CG-CG1 4.22Å; L8-M22 HydrophobicContact CD1-CE 4.06Å; L8-C30 PolarHBondContact N-O 2.64Å; L8-Y32 PolarHBondContact O-N 3.33Å; L8-I72 CarbonylContact C-O 3.56Å; L8-I72 WeakPolarHBondContact CA-O 3.13Å; L8-I72 HydrophobicContact CB-CB 4.45Å; L8-I72 HydrophobicContact CD1-CB 4.3Å; L8-I72 HydrophobicContact CD1-CG2 4.07Å; L8-I72 HydrophobicContact CG-CB 4.23Å; L8-I72 HydrophobicContact CG-CG2 4.26Å; L8-L74 HydrophobicContact CD2-CB 4.24Å; L8-L74 HydrophobicContact CG-CB 4.46Å
9I98.5Very high90.6Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-100.1117.9174.8-53-170.5000109.2Y32 L58 M61 I71 I72 L73 L74 V75 F84 L88I9-Y32 WeakPolarHBondContact CA-O 3.43Å; I9-Y32 HydrophobicContact CD1-CD1 4.09Å; I9-Y32 HydrophobicContact CG1-CD1 4.03Å; I9-Y32 HydrophobicContact CG2-CD1 3.99Å; I9-L58 HydrophobicContact CD1-CD2 3.81Å; I9-M61 HydrophobicContact CD1-CE 3.98Å; I9-M61 HydrophobicContact CD1-SD 3.89Å; I9-M61 HydrophobicContact CG1-CE 4.44Å; I9-M61 HydrophobicContact CG1-SD 3.75Å; I9-I71 HydrophobicContact CD1-CG2 3.98Å; I9-I71 HydrophobicContact CG1-CG2 4.08Å; I9-I72 PolarHBondContact N-O 3.43Å; I9-L73 HydrophobicContact CB-CD2 3.95Å; I9-L73 HydrophobicContact CD1-CD2 3.65Å; I9-L73 HydrophobicContact CG1-CD2 4.01Å; I9-L74 CarbonylContact O-C 3.54Å; I9-L74 PolarHBondContact O-N 2.95Å; I9-V75 HydrophobicContact CG2-CG1 4.13Å; I9-F84 HydrophobicContact CD1-CD1 4.09Å; I9-F84 HydrophobicContact CD1-CE1 4.34Å; I9-F84 HydrophobicContact CG2-CD1 4.16Å; I9-F84 HydrophobicContact CG2-CD2 4.28Å; I9-F84 HydrophobicContact CG2-CE1 3.74Å; I9-F84 HydrophobicContact CG2-CE2 3.86Å; I9-F84 HydrophobicContact CG2-CG 4.43Å; I9-F84 HydrophobicContact CG2-CZ 3.56Å; I9-L88 HydrophobicContact CD1-CD1 4.15Å
10G97.1Very high91Very high5 Ų538.1 Ų38.15%0.05221%0.212CC..  trans117.796.3175.700000113.2L8 A12 Y32L8-G10 WeakPolarHBondContact CD2-O 3.41Å; G10-A12 PolarHBondContact O-N 2.86Å; G10-Y32 PolarHBondContact N-O 3.28Å
11L96.9Very high91.3Very high2 Ų236.3 Ų36.31%0.0120%0.203CC..  trans-97.147.6-174.2-61.7177.7000113.1Q16 I19 A31 N33 V39 F42L11-Q16 HydrophobicContact CB-CG 4.22Å; L11-Q16 HydrophobicContact CD2-CG 4.39Å; L11-Q16 PolarHBondContact O-NE2 3.03Å; L11-I19 HydrophobicContact CD2-CD1 3.3Å; L11-A31 HydrophobicContact CD1-CB 4.49Å; L11-A31 HydrophobicContact CD2-CB 4.19Å; L11-N33 HydrophobicContact CB-CB 4.26Å; L11-N33 HydrophobicContact CD1-CB 3.92Å; L11-N33 HydrophobicContact CG-CB 3.96Å; L11-N33 PolarHBondContact N-OD1 3.29Å; L11-V39 HydrophobicContact CD1-CB 4.26Å; L11-V39 HydrophobicContact CD1-CG2 3.84Å; L11-F42 HydrophobicContact CD1-CB 4.3Å; L11-F42 HydrophobicContact CD1-CD1 4.36Å; L11-F42 HydrophobicContact CD2-CD1 4.17Å; L11-F42 HydrophobicContact CD2-CE1 4.39Å
12A94.3Very high93.9Very high61 Ų6124.3 Ų24.350%0.50414%0.143SC..SBendtrans-78.3175.916200000110.2G10 M14 G15 Q16G10-A12 PolarHBondContact O-N 2.86Å; A12-M14 VanDerWaalsContact C-N 3.27Å; A12-M14 PolarHBondContact O-N 2.65Å; A12-M14 VanDerWaalsContact O-N 3.17Å; A12-G15 PolarHBondContact O-N 2.76Å; A12-Q16 PolarHBondContact O-N 2.93Å
13V92.6Very high96.3Very high71 Ų7122.3 Ų22.343%0.4312%0.124SC..Hα-helixtrans-48.1-46.7-179.4175.40000112.5G15 N17 E135V13-G15 PolarHBondContact O-N 3.47Å; V13-N17 WeakPolarHBondContact O-CB 3.46Å; V13-N17 PolarHBondContact O-N 2.94Å; V13-N17 VanDerWaalsContact O-N 3.16Å; V13-N17 PolarHBondContact O-ND2 2.81Å; V13-E135 HydrophobicContact CG1-CB 3.76Å; V13-E135 HydrophobicContact CG1-CG 3.45Å; V13-E135 VanDerWaalsContact CG1-CG 3.45Å; V13-E135 WeakPolarHBondContact CG1-OE1 3.43Å
14M93.6Very high97.4Very high54 Ų5420.1 Ų20.127%0.26612%0.117SC..Hα-helixtrans-61.6-40.8177.7-68.7-64.3-61.900112.9A12 L18 L74 V131 G134 A138A12-M14 VanDerWaalsContact C-N 3.27Å; A12-M14 PolarHBondContact O-N 2.65Å; A12-M14 VanDerWaalsContact O-N 3.17Å; M14-L18 WeakPolarHBondContact O-CB 3.46Å; M14-L18 PolarHBondContact O-N 3.35Å; M14-L74 HydrophobicContact CB-CD2 3.68Å; M14-V131 HydrophobicContact CE-CG1 4.09Å; M14-G134 VanDerWaalsContact SD-C 3.51Å; M14-G134 VanDerWaalsContact SD-O 3.34Å; M14-A138 HydrophobicContact CE-CB 3.83Å; M14-A138 HydrophobicContact SD-CB 4.19Å
15G96.2Very high97.5Very high0 Ų024.2 Ų24.20%014%0.136CC..Hα-helixtrans-74.6-42-174.900000112.1A12 V13 L18 I19 L74A12-G15 PolarHBondContact O-N 2.76Å; V13-G15 PolarHBondContact O-N 3.47Å; G15-L18 PolarHBondContact O-N 2.94Å; G15-I19 WeakPolarHBondContact O-CD1 3.44Å; G15-I19 VanDerWaalsContact O-CG1 3.23Å; G15-I19 WeakPolarHBondContact O-CG1 3.19Å; G15-I19 PolarHBondContact O-N 3.31Å; G15-L74 VanDerWaalsContact CA-CD2 3.43Å
16Q97.9Very high97.4Very high43 Ų4324.9 Ų24.920%0.20115%0.149CC..Hα-helixtrans-60.4-48.7175.2-66.8-177.824.400111.2L11 A12 L18 I19 M20 F42L11-Q16 HydrophobicContact CB-CG 4.22Å; L11-Q16 HydrophobicContact CD2-CG 4.39Å; L11-Q16 PolarHBondContact O-NE2 3.03Å; A12-Q16 PolarHBondContact O-N 2.93Å; Q16-L18 PolarHBondContact O-N 3.43Å; Q16-I19 PolarHBondContact O-N 3.19Å; Q16-M20 WeakPolarHBondContact O-CG 3.42Å; Q16-M20 PolarHBondContact O-N 3.5Å; Q16-F42 HydrophobicContact CB-CD2 4.06Å; Q16-F42 HydrophobicContact CB-CE2 3.66Å; Q16-F42 HydrophobicContact CB-CZ 4.24Å; Q16-F42 HydrophobicContact CG-CD2 3.72Å; Q16-F42 HydrophobicContact CG-CE2 3.84Å; Q16-F42 HydrophobicContact CG-CG 4.29Å; Q16-F42 HydrophobicContact CG-CZ 4.48Å
17N98.1Very high97.4Very high28 Ų2826.5 Ų26.515%0.1516%0.156CC..Hα-helixtrans-64.8-38.8179.8-78.5-65.6000112.6V13 M20 N21 A138 R139V13-N17 WeakPolarHBondContact O-CB 3.46Å; V13-N17 PolarHBondContact O-N 2.94Å; V13-N17 VanDerWaalsContact O-N 3.16Å; V13-N17 PolarHBondContact O-ND2 2.81Å; N17-M20 PolarHBondContact O-N 3.28Å; N17-N21 WeakPolarHBondContact O-CB 3.5Å; N17-N21 PolarHBondContact O-N 2.96Å; N17-A138 HydrophobicContact CB-CB 3.87Å; N17-R139 HydrophobicContact CB-CB 3.96Å; N17-R139 WeakPolarHBondContact OD1-CB 3.44Å; N17-R139 WeakPolarHBondContact OD1-CD 3.2Å
18L98.1Very high97.4Very high4 Ų428.3 Ų28.32%0.02117%0.167CC..Hα-helixtrans-68-36.7176.3-164.665.6000112.2L8 M14 G15 Q16 N21 M22 P142 I163L8-L18 HydrophobicContact CD1-CB 4.3Å; L8-L18 HydrophobicContact CD1-CD2 4.01Å; L8-L18 HydrophobicContact CD1-CG 4.45Å; M14-L18 WeakPolarHBondContact O-CB 3.46Å; M14-L18 PolarHBondContact O-N 3.35Å; G15-L18 PolarHBondContact O-N 2.94Å; Q16-L18 PolarHBondContact O-N 3.43Å; L18-N21 PolarHBondContact O-N 3.34Å; L18-M22 HydrophobicContact CG-CE 4.27Å; L18-M22 WeakPolarHBondContact O-CE 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.36Å; L18-M22 PolarHBondContact O-N 2.89Å; L18-P142 HydrophobicContact CD1-CG 3.88Å; L18-I163 HydrophobicContact CD1-CD1 3.86Å; L18-I163 HydrophobicContact CG-CD1 4.47Å
19I98.6Very high97.3Very high0 Ų028.3 Ų28.30%017%0.167CC..Hα-helixtrans-60.8-48171.8-70.5162.9000110.5L8 L11 G15 Q16 N21 M22 N23 V29 A31 F42 V52L8-I19 HydrophobicContact CB-CD1 4.04Å; L8-I19 HydrophobicContact CB-CG1 3.82Å; L8-I19 HydrophobicContact CD1-CG1 4.1Å; L8-I19 HydrophobicContact CD2-CD1 3.85Å; L8-I19 HydrophobicContact CD2-CG1 4.15Å; L8-I19 HydrophobicContact CG-CD1 4.39Å; L8-I19 HydrophobicContact CG-CG1 4.22Å; L11-I19 HydrophobicContact CD2-CD1 3.3Å; G15-I19 WeakPolarHBondContact O-CD1 3.44Å; G15-I19 VanDerWaalsContact O-CG1 3.23Å; G15-I19 WeakPolarHBondContact O-CG1 3.19Å; G15-I19 PolarHBondContact O-N 3.31Å; Q16-I19 PolarHBondContact O-N 3.19Å; I19-N21 VanDerWaalsContact C-N 3.31Å; I19-N21 PolarHBondContact O-N 3.41Å; I19-M22 HydrophobicContact CG1-CE 4.35Å; I19-M22 PolarHBondContact O-N 3.08Å; I19-N23 WeakPolarHBondContact O-CB 3.23Å; I19-N23 PolarHBondContact O-N 2.95Å; I19-V29 HydrophobicContact CB-CG1 4.37Å; I19-V29 HydrophobicContact CG1-CG1 3.92Å; I19-V29 HydrophobicContact CG2-CB 3.99Å; I19-V29 HydrophobicContact CG2-CG1 3.93Å; I19-V29 HydrophobicContact CG2-CG2 4.44Å; I19-A31 HydrophobicContact CD1-CB 3.96Å; I19-F42 HydrophobicContact CB-CE1 4.27Å; I19-F42 HydrophobicContact CB-CZ 4.1Å; I19-F42 HydrophobicContact CD1-CE1 3.95Å; I19-F42 HydrophobicContact CD1-CZ 4.41Å; I19-F42 HydrophobicContact CG2-CE1 3.82Å; I19-F42 HydrophobicContact CG2-CZ 3.88Å; I19-V52 HydrophobicContact CG2-CB 4.36Å; I19-V52 HydrophobicContact CG2-CG1 3.79Å; I19-V52 HydrophobicContact CG2-CG2 3.54Å
20M98.5Very high97.4Very high20 Ų2028.3 Ų28.310%0.09917%0.167CC..Hα-helixtrans-64.4-37.7179.6-67-50.6-63.900111.9Q16 N17 N23 D24 F42 E46 A47 V52Q16-M20 WeakPolarHBondContact O-CG 3.42Å; Q16-M20 PolarHBondContact O-N 3.5Å; N17-M20 PolarHBondContact O-N 3.28Å; M20-N23 PolarHBondContact O-N 3.44Å; M20-D24 PolarHBondContact O-N 2.7Å; M20-F42 HydrophobicContact CG-CE2 4.18Å; M20-F42 HydrophobicContact CG-CZ 4.05Å; M20-F42 HydrophobicContact SD-CE2 4.23Å; M20-F42 HydrophobicContact SD-CZ 3.86Å; M20-E46 WeakPolarHBondContact CE-O 3.37Å; M20-A47 HydrophobicContact SD-CB 3.85Å; M20-V52 HydrophobicContact SD-CG2 4.43Å
21N98.5Very high97.4Very high1 Ų128.1 Ų28.11%0.00517%0.165CC..Hα-helixtrans-59.8-49.3172.8-171.1-9.4000111.6N17 L18 I19 N23 D24 H25 A138 R139 P142 I163N17-N21 WeakPolarHBondContact O-CB 3.5Å; N17-N21 PolarHBondContact O-N 2.96Å; L18-N21 PolarHBondContact O-N 3.34Å; I19-N21 VanDerWaalsContact C-N 3.31Å; I19-N21 PolarHBondContact O-N 3.41Å; N21-N23 VanDerWaalsContact C-N 3.33Å; N21-N23 PolarHBondContact O-N 2.66Å; N21-D24 PolarHBondContact O-N 3.15Å; N21-H25 PolarHBondContact O-N 3.3Å; N21-H25 PolarHBondContact O-ND1 2.97Å; N21-H25 PolarHBondContact OD1-CE1 3.09Å; N21-H25 PolarHBondContact OD1-ND1 2.84Å; N21-A138 VanDerWaalsContact CB-O 3.31Å; N21-A138 WeakPolarHBondContact CB-O 3.24Å; N21-A138 PolarHBondContact ND2-O 3.31Å; N21-R139 VanDerWaalsContact CB-O 3.27Å; N21-R139 WeakPolarHBondContact CB-O 3.47Å; N21-P142 WeakPolarHBondContact ND2-CD 3.15Å; N21-I163 PolarHBondContact ND2-O 3.11Å
22M98.6Very high97.5Very high0 Ų029.1 Ų29.10%017%0.169CC..Hα-helixtrans-59.7-41.7175.3-74.7-178.1-68.700112.5I6 L8 L18 I19 D24 H25 G26 F27 V29 I72 I159 I163I6-M22 HydrophobicContact CD1-SD 4.41Å; I6-M22 HydrophobicContact CG2-CE 4.38Å; I6-M22 HydrophobicContact CG2-SD 3.66Å; L8-M22 HydrophobicContact CD1-CE 4.06Å; L18-M22 HydrophobicContact CG-CE 4.27Å; L18-M22 WeakPolarHBondContact O-CE 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.36Å; L18-M22 PolarHBondContact O-N 2.89Å; I19-M22 HydrophobicContact CG1-CE 4.35Å; I19-M22 PolarHBondContact O-N 3.08Å; M22-D24 PolarHBondContact O-N 2.92Å; M22-H25 PolarHBondContact O-N 3.43Å; M22-G26 PolarHBondContact O-N 3.07Å; M22-F27 HydrophobicContact CB-CB 4.44Å; M22-F27 WeakPolarHBondContact O-CB 3.29Å; M22-F27 WeakPolarHBondContact O-CD2 3.32Å; M22-F27 PolarHBondContact O-N 3.49Å; M22-F27 VanDerWaalsContact O-N 3.08Å; M22-V29 HydrophobicContact CB-CG2 3.52Å; M22-V29 HydrophobicContact CE-CG1 4.07Å; M22-V29 HydrophobicContact CE-CG2 4.2Å; M22-V29 HydrophobicContact SD-CG2 4.41Å; M22-I72 HydrophobicContact CE-CD1 4.35Å; M22-I72 HydrophobicContact SD-CD1 4.22Å; M22-I159 HydrophobicContact CG-CG2 4.13Å; M22-I159 HydrophobicContact SD-CG2 3.94Å; M22-I163 HydrophobicContact CB-CG2 4.28Å; M22-I163 HydrophobicContact CG-CD1 3.68Å; M22-I163 HydrophobicContact CG-CG2 3.72Å; M22-I163 HydrophobicContact SD-CD1 4.29Å
23N98.1Very high97.7Very high20 Ų2027.2 Ų27.211%0.10715%0.15CC..Hα-helixtrans-60.5-44.6176.5169.285.9000112.4I19 M20 N21 H25 G26 F27 K51 V52I19-N23 WeakPolarHBondContact O-CB 3.23Å; I19-N23 PolarHBondContact O-N 2.95Å; M20-N23 PolarHBondContact O-N 3.44Å; N21-N23 VanDerWaalsContact C-N 3.33Å; N21-N23 PolarHBondContact O-N 2.66Å; N23-H25 PolarHBondContact O-N 3.02Å; N23-G26 WeakPolarHBondContact O-CA 3.44Å; N23-G26 PolarHBondContact O-N 3.04Å; N23-F27 WeakPolarHBondContact CA-O 3.39Å; N23-K51 WeakPolarHBondContact OD1-CB 3.4Å; N23-K51 PolarHBondContact OD1-N 2.73Å; N23-V52 HydrophobicContact CB-CG2 3.95Å
24D98.1Very high97.7Very high86 Ų8633 Ų3346%0.4616%0.164SC..Hα-helixtrans-66.4-28.6-178.8-69.92000112.2M20 N21 M22 G26 R139M20-D24 PolarHBondContact O-N 2.7Å; N21-D24 PolarHBondContact O-N 3.15Å; M22-D24 PolarHBondContact O-N 2.92Å; D24-G26 PolarHBondContact O-N 3.43Å; D24-R139 IonicContact OD1-NH2 3.28Å; D24-R139 IonicContact OD2-CZ 2.82Å; D24-R139 IonicContact OD2-NH1 3.84Å; D24-R139 PolarHBondContact OD2-NH1 2.65Å; D24-R139 IonicContact OD2-NH2 3.82Å; D24-R139 PolarHBondContact OD2-NH2 3.08Å
25H98.3Very high97.8Very high87 Ų8733.6 Ų33.640%0.40317%0.171SC..THydrogen-bonded Turntrans-83.511.7172.3-67.584.6000113.3N21 M22 N23 F27 S162 I163N21-H25 PolarHBondContact O-N 3.3Å; N21-H25 PolarHBondContact O-ND1 2.97Å; N21-H25 PolarHBondContact OD1-CE1 3.09Å; N21-H25 PolarHBondContact OD1-ND1 2.84Å; M22-H25 PolarHBondContact O-N 3.43Å; N23-H25 PolarHBondContact O-N 3.02Å; H25-F27 HydrophobicContact CB-CD2 4.07Å; H25-F27 HydrophobicContact CB-CE2 3.98Å; H25-S162 PolarHBondContact CD2-O 2.83Å; H25-S162 VanDerWaalsContact CD2-O 3.29Å; H25-S162 PolarHBondContact NE2-O 3.34Å; H25-I163 HydrophobicContact CB-CG2 4.18Å
26G97.3Very high97.8Very high41 Ų4135.4 Ų35.442%0.42318%0.182SC..THydrogen-bonded Turntrans88.74.1169.700000115.4M22 N23 D24M22-G26 PolarHBondContact O-N 3.07Å; N23-G26 WeakPolarHBondContact O-CA 3.44Å; N23-G26 PolarHBondContact O-N 3.04Å; D24-G26 PolarHBondContact O-N 3.43Å
27F98.2Very high97.8Very high33 Ų3336.3 Ų36.315%0.14519%0.193CC..  trans-83.8137.8177.6-57.9-70.7000111.6D5 M22 N23 H25 V29 I159D5-F27 HydrophobicContact CB-CB 4.23Å; D5-F27 HydrophobicContact CB-CD1 4.22Å; M22-F27 HydrophobicContact CB-CB 4.44Å; M22-F27 WeakPolarHBondContact O-CB 3.29Å; M22-F27 WeakPolarHBondContact O-CD2 3.32Å; M22-F27 PolarHBondContact O-N 3.49Å; M22-F27 VanDerWaalsContact O-N 3.08Å; N23-F27 WeakPolarHBondContact CA-O 3.39Å; H25-F27 HydrophobicContact CB-CD2 4.07Å; H25-F27 HydrophobicContact CB-CE2 3.98Å; F27-V29 PolarHBondContact O-N 3.16Å; F27-I159 HydrophobicContact CD1-CD1 4.49Å; F27-I159 HydrophobicContact CD1-CG1 3.85Å; F27-I159 HydrophobicContact CD2-CG1 4.49Å; F27-I159 HydrophobicContact CD2-CG2 4.3Å; F27-I159 HydrophobicContact CE1-CB 4.48Å; F27-I159 HydrophobicContact CE1-CG1 3.63Å; F27-I159 HydrophobicContact CE2-CB 4.35Å; F27-I159 HydrophobicContact CE2-CG1 4.31Å; F27-I159 HydrophobicContact CE2-CG2 4.34Å; F27-I159 HydrophobicContact CG-CG1 4.29Å; F27-I159 HydrophobicContact CZ-CB 4.25Å; F27-I159 HydrophobicContact CZ-CG1 3.88Å
28V98.3Very high97.7Very high39 Ų3939.6 Ų39.624%0.23621%0.206CC..  trans-83.6115172-178.20000108.4A4 D5 K51A4-V28 CarbonylContact C-O 3.5Å; A4-V28 WeakPolarHBondContact CA-O 3.43Å; A4-V28 HydrophobicContact CB-CG1 4.31Å; D5-V28 PolarHBondContact N-O 2.62Å; D5-V28 PolarHBondContact OD2-N 3.07Å; V28-K51 HydrophobicContact CG2-CB 4.46Å
29V98.5Very high97.7Very high0 Ų039.4 Ų39.40%021%0.205CC..EExtended strand (participates in β ladder)trans-106.7133.5-176.2-171.20000111.1I6 I19 M22 F27 V52 V53I6-V29 HydrophobicContact CG2-CG1 4.18Å; I6-V29 HydrophobicContact CG2-CG2 4.06Å; I6-V29 CarbonylContact O-C 3.6Å; I6-V29 WeakPolarHBondContact O-CA 3.46Å; I19-V29 HydrophobicContact CB-CG1 4.37Å; I19-V29 HydrophobicContact CG1-CG1 3.92Å; I19-V29 HydrophobicContact CG2-CB 3.99Å; I19-V29 HydrophobicContact CG2-CG1 3.93Å; I19-V29 HydrophobicContact CG2-CG2 4.44Å; M22-V29 HydrophobicContact CB-CG2 3.52Å; M22-V29 HydrophobicContact CE-CG1 4.07Å; M22-V29 HydrophobicContact CE-CG2 4.2Å; M22-V29 HydrophobicContact SD-CG2 4.41Å; F27-V29 PolarHBondContact O-N 3.16Å; V29-V52 WeakPolarHBondContact O-CA 3.36Å; V29-V53 PolarHBondContact O-N 2.95Å
30C98.6Very high97.7Very high0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-93111.2169.7-171.80000110.5A4 I6 A7 L8 V53 L65A4-C30 HydrophobicContact CB-CB 3.89Å; I6-C30 PolarHBondContact O-N 2.99Å; A7-C30 CarbonylContact C-O 3.32Å; A7-C30 WeakPolarHBondContact CA-O 3.26Å; A7-C30 HydrophobicContact CB-CB 4.18Å; L8-C30 PolarHBondContact N-O 2.64Å; C30-V53 CarbonylContact C-O 3.51Å; C30-V53 VanDerWaalsContact CA-O 3.29Å; C30-V53 WeakPolarHBondContact CA-O 3.32Å; C30-V53 HydrophobicContact CB-CG2 3.98Å; C30-L65 HydrophobicContact CB-CD2 4.28Å
31A98.4Very high97.7Very high0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-86129.5177.900000110.8L11 I19 F42 V52 V53 G54 A55L11-A31 HydrophobicContact CD1-CB 4.49Å; L11-A31 HydrophobicContact CD2-CB 4.19Å; I19-A31 HydrophobicContact CD1-CB 3.96Å; A31-F42 HydrophobicContact CB-CD1 4.21Å; A31-F42 HydrophobicContact CB-CE1 4.24Å; A31-V52 HydrophobicContact CB-CG1 3.93Å; A31-V53 PolarHBondContact N-O 3.46Å; A31-G54 WeakPolarHBondContact O-CA 3.38Å; A31-A55 PolarHBondContact O-N 2.77Å
32Y98.6Very high97.7Very high24 Ų2445.9 Ų45.99%0.09424%0.237CC..EExtended strand (participates in β ladder)trans-138.2150.4173.3-179.3-110.3000111.9L8 I9 G10 A55 L58 M61 F84L8-Y32 PolarHBondContact O-N 3.33Å; I9-Y32 WeakPolarHBondContact CA-O 3.43Å; I9-Y32 HydrophobicContact CD1-CD1 4.09Å; I9-Y32 HydrophobicContact CG1-CD1 4.03Å; I9-Y32 HydrophobicContact CG2-CD1 3.99Å; G10-Y32 PolarHBondContact N-O 3.28Å; Y32-A55 HydrophobicContact CD2-CB 4.12Å; Y32-A55 WeakPolarHBondContact CD2-O 3.46Å; Y32-L58 HydrophobicContact CD1-CD2 3.75Å; Y32-L58 HydrophobicContact CE1-CD2 3.34Å; Y32-L58 HydrophobicContact CE1-CG 3.79Å; Y32-M61 HydrophobicContact CD1-SD 4.22Å; Y32-M61 HydrophobicContact CG-SD 4.16Å; Y32-F84 HydrophobicContact CE1-CE1 4.06Å
33N97.8Very high97.6Very high20 Ų2048.2 Ų48.211%0.10725%0.249CC..  trans-151.8145.9174.5-172.473.5000110.5L11 T35 K38 V39L11-N33 HydrophobicContact CB-CB 4.26Å; L11-N33 HydrophobicContact CD1-CB 3.92Å; L11-N33 HydrophobicContact CG-CB 3.96Å; L11-N33 PolarHBondContact N-OD1 3.29Å; N33-T35 PolarHBondContact ND2-N 3.09Å; N33-T35 PolarHBondContact ND2-O 3.31Å; N33-T35 CarbonylContact O-C 3.32Å; N33-T35 PolarHBondContact O-N 2.81Å; N33-T35 VanDerWaalsContact O-N 3.17Å; N33-K38 HydrophobicContact CB-CB 4.42Å; N33-V39 HydrophobicContact CB-CG2 3.98Å
34R93.8Very high97.6Very high194 Ų19453.2 Ų53.273%0.73227%0.272SS*.SBendtrans-52.5-40177.9-174.7-178.468.4-177.11.8112.9F84R34-F84 HydrophobicContact CB-CZ 4.21Å
35T95.8Very high97.5Very high66 Ų6653.9 Ų53.941%0.40528%0.275SS..SBendtrans-92.9101.7171.5-52.90000107.5N33 S37 K38N33-T35 PolarHBondContact ND2-N 3.09Å; N33-T35 PolarHBondContact ND2-O 3.31Å; N33-T35 CarbonylContact O-C 3.32Å; N33-T35 PolarHBondContact O-N 2.81Å; N33-T35 VanDerWaalsContact O-N 3.17Å; T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 WeakPolarHBondContact CG2-OG 3.45Å; T35-S37 PolarHBondContact O-N 2.94Å; T35-K38 WeakPolarHBondContact O-CB 3.25Å; T35-K38 PolarHBondContact O-N 3.4Å; T35-K38 VanDerWaalsContact O-N 3.12Å
36V96.1Very high97.4Very high38 Ų3854.9 Ų54.923%0.2328%0.281CS..THydrogen-bonded Turntrans-62.2-31.1-171.6-179.20000112.5K38 V39 H40 E56V36-K38 PolarHBondContact O-N 3.21Å; V36-K38 VanDerWaalsContact O-N 3.09Å; V36-V39 WeakPolarHBondContact O-CA 3.34Å; V36-V39 VanDerWaalsContact O-CB 3.24Å; V36-V39 WeakPolarHBondContact O-CB 3.14Å; V36-V39 PolarHBondContact O-N 2.77Å; V36-H40 PolarHBondContact O-N 3.33Å; V36-E56 WeakPolarHBondContact CG1-OE2 3.42Å
37S97.1Very high97.4Very high61 Ų6153.1 Ų53.143%0.42726%0.262SS..Hα-helixtrans-54.2-34.117569.90000113.2T35 V39 H40 D41T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 WeakPolarHBondContact CG2-OG 3.45Å; T35-S37 PolarHBondContact O-N 2.94Å; S37-V39 PolarHBondContact O-N 2.74Å; S37-H40 PolarHBondContact O-N 2.74Å; S37-H40 VanDerWaalsContact O-N 3.16Å; S37-D41 PolarHBondContact O-N 2.93Å
38K97.6Very high97.4Very high98 Ų9859.4 Ų59.443%0.42629%0.289SS..Hα-helixtrans-64.7-28.1175.5-64.6-161.4176.6-1700113.4N33 T35 V36 F42N33-K38 HydrophobicContact CB-CB 4.42Å; T35-K38 WeakPolarHBondContact O-CB 3.25Å; T35-K38 PolarHBondContact O-N 3.4Å; T35-K38 VanDerWaalsContact O-N 3.12Å; V36-K38 PolarHBondContact O-N 3.21Å; V36-K38 VanDerWaalsContact O-N 3.09Å; K38-F42 VanDerWaalsContact O-CB 3.29Å; K38-F42 WeakPolarHBondContact O-CB 3.06Å; K38-F42 PolarHBondContact O-N 2.73Å; K38-F42 VanDerWaalsContact O-N 3.12Å
39V98.1Very high97.2Very high0 Ų061.5 Ų61.50%032%0.319CS..Hα-helixtrans-68.6-47.6174.2-176.30000108.9L11 N33 V36 S37 F42 L43L11-V39 HydrophobicContact CD1-CB 4.26Å; L11-V39 HydrophobicContact CD1-CG2 3.84Å; N33-V39 HydrophobicContact CB-CG2 3.98Å; V36-V39 WeakPolarHBondContact O-CA 3.34Å; V36-V39 VanDerWaalsContact O-CB 3.24Å; V36-V39 WeakPolarHBondContact O-CB 3.14Å; V36-V39 PolarHBondContact O-N 2.77Å; S37-V39 PolarHBondContact O-N 2.74Å; V39-F42 PolarHBondContact O-N 3.44Å; V39-L43 HydrophobicContact CG1-CD1 4.13Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.2Å; V39-L43 PolarHBondContact O-N 3.32Å
40H97.6Very high97.1Very high72 Ų7263.1 Ų63.133%0.33333%0.33SS..Hα-helixtrans-61.2-47.1176.7-57-52.4000112.1V36 S37 F42 L43 Q44 E56V36-H40 PolarHBondContact O-N 3.33Å; S37-H40 PolarHBondContact O-N 2.74Å; S37-H40 VanDerWaalsContact O-N 3.16Å; H40-F42 VanDerWaalsContact C-N 3.32Å; H40-F42 PolarHBondContact O-N 2.71Å; H40-L43 PolarHBondContact O-N 3.39Å; H40-Q44 WeakPolarHBondContact O-CB 3.29Å; H40-Q44 VanDerWaalsContact O-CG 3.24Å; H40-Q44 WeakPolarHBondContact O-CG 3.39Å; H40-Q44 PolarHBondContact O-N 2.86Å; H40-E56 IonicContact CE1-OE1 3.62Å; H40-E56 PolarHBondContact CE1-OE1 3.44Å; H40-E56 IonicContact CE1-OE2 2.84Å; H40-E56 IonicContact NE2-OE1 3.5Å; H40-E56 IonicContact NE2-OE2 2.73Å
41D97.8Very high97Very high82 Ų8269.2 Ų69.244%0.43936%0.357SS..Hα-helixtrans-57.4-47.1179-64.1-23.9000110.7S37 Q44 N45S37-D41 PolarHBondContact O-N 2.93Å; D41-Q44 PolarHBondContact O-N 3.44Å; D41-N45 WeakPolarHBondContact O-CB 3.23Å; D41-N45 PolarHBondContact O-N 3.12Å; D41-N45 PolarHBondContact O-ND2 3.49Å
42F98.2Very high96.9Very high2 Ų269.8 Ų69.81%0.00936%0.36CS..Hα-helixtrans-63.3-43.3179177.3-123.5000112.6L11 Q16 I19 M20 A31 K38 V39 H40 Q44 N45 E46 A47 V52L11-F42 HydrophobicContact CD1-CB 4.3Å; L11-F42 HydrophobicContact CD1-CD1 4.36Å; L11-F42 HydrophobicContact CD2-CD1 4.17Å; L11-F42 HydrophobicContact CD2-CE1 4.39Å; Q16-F42 HydrophobicContact CB-CD2 4.06Å; Q16-F42 HydrophobicContact CB-CE2 3.66Å; Q16-F42 HydrophobicContact CB-CZ 4.24Å; Q16-F42 HydrophobicContact CG-CD2 3.72Å; Q16-F42 HydrophobicContact CG-CE2 3.84Å; Q16-F42 HydrophobicContact CG-CG 4.29Å; Q16-F42 HydrophobicContact CG-CZ 4.48Å; I19-F42 HydrophobicContact CB-CE1 4.27Å; I19-F42 HydrophobicContact CB-CZ 4.1Å; I19-F42 HydrophobicContact CD1-CE1 3.95Å; I19-F42 HydrophobicContact CD1-CZ 4.41Å; I19-F42 HydrophobicContact CG2-CE1 3.82Å; I19-F42 HydrophobicContact CG2-CZ 3.88Å; M20-F42 HydrophobicContact CG-CE2 4.18Å; M20-F42 HydrophobicContact CG-CZ 4.05Å; M20-F42 HydrophobicContact SD-CE2 4.23Å; M20-F42 HydrophobicContact SD-CZ 3.86Å; A31-F42 HydrophobicContact CB-CD1 4.21Å; A31-F42 HydrophobicContact CB-CE1 4.24Å; K38-F42 VanDerWaalsContact O-CB 3.29Å; K38-F42 WeakPolarHBondContact O-CB 3.06Å; K38-F42 PolarHBondContact O-N 2.73Å; K38-F42 VanDerWaalsContact O-N 3.12Å; V39-F42 PolarHBondContact O-N 3.44Å; H40-F42 VanDerWaalsContact C-N 3.32Å; H40-F42 PolarHBondContact O-N 2.71Å; F42-Q44 VanDerWaalsContact C-N 3.33Å; F42-Q44 PolarHBondContact O-N 2.64Å; F42-N45 CarbonylContact O-C 3.58Å; F42-N45 PolarHBondContact O-N 3.04Å; F42-E46 HydrophobicContact CD2-CB 3.86Å; F42-E46 HydrophobicContact CE2-CB 3.76Å; F42-E46 PolarHBondContact O-N 3.11Å; F42-A47 HydrophobicContact CD1-CB 4.03Å; F42-A47 HydrophobicContact CD2-CB 4.29Å; F42-A47 HydrophobicContact CE1-CB 3.72Å; F42-A47 HydrophobicContact CE2-CB 3.98Å; F42-A47 HydrophobicContact CG-CB 4.31Å; F42-A47 HydrophobicContact CZ-CB 3.7Å; F42-A47 WeakPolarHBondContact O-CB 3.43Å; F42-A47 PolarHBondContact O-N 3.03Å; F42-V52 HydrophobicContact CE1-CG1 4.07Å
43L97.8Very high96.9Very high50 Ų5071.2 Ų71.226%0.26237%0.371SS..Hα-helixtrans-68.6-30.7178-69.3176.9000113.5V39 H40 A47 K48 V52V39-L43 HydrophobicContact CG1-CD1 4.13Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.2Å; V39-L43 PolarHBondContact O-N 3.32Å; H40-L43 PolarHBondContact O-N 3.39Å; L43-A47 HydrophobicContact CD2-CB 4.3Å; L43-K48 WeakPolarHBondContact O-CA 3.31Å; L43-K48 PolarHBondContact O-N 3.26Å; L43-V52 HydrophobicContact CD2-CB 4.38Å; L43-V52 HydrophobicContact CD2-CG1 4.03Å
44Q97.8Very high96.9Very high124 Ų12471 Ų7158%0.57937%0.373SS*.Hα-helixtrans-81-19.5178.5-71.7176.64.800112.8H40 D41 F42 K48H40-Q44 WeakPolarHBondContact O-CB 3.29Å; H40-Q44 VanDerWaalsContact O-CG 3.24Å; H40-Q44 WeakPolarHBondContact O-CG 3.39Å; H40-Q44 PolarHBondContact O-N 2.86Å; D41-Q44 PolarHBondContact O-N 3.44Å; F42-Q44 VanDerWaalsContact C-N 3.33Å; F42-Q44 PolarHBondContact O-N 2.64Å; Q44-K48 WeakPolarHBondContact O-CD 3.38Å
45N96.9Very high97.1Very high100 Ų10061.7 Ų61.754%0.53534%0.338SS..THydrogen-bonded Turntrans-116.4-99.3-177.3-61.3-62.6000111.3D41 F42 A47 K48D41-N45 WeakPolarHBondContact O-CB 3.23Å; D41-N45 PolarHBondContact O-N 3.12Å; D41-N45 PolarHBondContact O-ND2 3.49Å; F42-N45 CarbonylContact O-C 3.58Å; F42-N45 PolarHBondContact O-N 3.04Å; N45-A47 VanDerWaalsContact C-N 3.29Å; N45-A47 PolarHBondContact O-N 2.98Å; N45-K48 WeakPolarHBondContact O-CB 3.27Å; N45-K48 PolarHBondContact O-N 3.43Å
46E95.9Very high97.1Very high109 Ų10963.6 Ų63.651%0.50934%0.342SS..THydrogen-bonded Turntrans-61.5-34.3-167.6-59.880.3-175.700113.2M20 F42M20-E46 WeakPolarHBondContact CE-O 3.37Å; F42-E46 HydrophobicContact CD2-CB 3.86Å; F42-E46 HydrophobicContact CE2-CB 3.76Å; F42-E46 PolarHBondContact O-N 3.11Å
47A97.1Very high97.2Very high4 Ų463.6 Ų63.63%0.03334%0.344CS..THydrogen-bonded Turntrans-95.28.1178.900000113.8M20 F42 L43 N45 G49 S50 V52M20-A47 HydrophobicContact SD-CB 3.85Å; F42-A47 HydrophobicContact CD1-CB 4.03Å; F42-A47 HydrophobicContact CD2-CB 4.29Å; F42-A47 HydrophobicContact CE1-CB 3.72Å; F42-A47 HydrophobicContact CE2-CB 3.98Å; F42-A47 HydrophobicContact CG-CB 4.31Å; F42-A47 HydrophobicContact CZ-CB 3.7Å; F42-A47 WeakPolarHBondContact O-CB 3.43Å; F42-A47 PolarHBondContact O-N 3.03Å; L43-A47 HydrophobicContact CD2-CB 4.3Å; N45-A47 VanDerWaalsContact C-N 3.29Å; N45-A47 PolarHBondContact O-N 2.98Å; A47-G49 PolarHBondContact O-N 3.16Å; A47-S50 VanDerWaalsContact O-CB 3.24Å; A47-S50 WeakPolarHBondContact O-CB 3.44Å; A47-S50 PolarHBondContact O-N 3.33Å; A47-S50 VanDerWaalsContact O-N 3.08Å; A47-S50 PolarHBondContact O-OG 3.35Å; A47-V52 HydrophobicContact CB-CB 4.16Å; A47-V52 HydrophobicContact CB-CG1 4.45Å; A47-V52 HydrophobicContact CB-CG2 4.34Å
48K97.1Very high97.3Very high164 Ų16461.3 Ų61.371%0.71333%0.327SS*.THydrogen-bonded Turntrans-62.3125.7-179.4-173.3-179.8-175.51720111.1L43 Q44 N45 S50L43-K48 WeakPolarHBondContact O-CA 3.31Å; L43-K48 PolarHBondContact O-N 3.26Å; Q44-K48 WeakPolarHBondContact O-CD 3.38Å; N45-K48 WeakPolarHBondContact O-CB 3.27Å; N45-K48 PolarHBondContact O-N 3.43Å; K48-S50 PolarHBondContact O-N 2.84Å
49G94.9Very high97.3Very high84 Ų8462 Ų6287%0.86633%0.332SS*.THydrogen-bonded Turntrans77.75-178.900000114.6A47A47-G49 PolarHBondContact O-N 3.16Å
50S96.6Very high97.3Very high33 Ų3364 Ų6423%0.23134%0.342CS..SBendtrans-83.2-179.817278.10000111.9A47 K48 V52A47-S50 VanDerWaalsContact O-CB 3.24Å; A47-S50 WeakPolarHBondContact O-CB 3.44Å; A47-S50 PolarHBondContact O-N 3.33Å; A47-S50 VanDerWaalsContact O-N 3.08Å; A47-S50 PolarHBondContact O-OG 3.35Å; K48-S50 PolarHBondContact O-N 2.84Å; S50-V52 VanDerWaalsContact C-N 3.3Å; S50-V52 WeakPolarHBondContact OG-CB 3.29Å; S50-V52 VanDerWaalsContact OG-CG2 3.29Å; S50-V52 WeakPolarHBondContact OG-CG2 3.44Å; S50-V52 PolarHBondContact OG-N 3.26Å; S50-V52 VanDerWaalsContact OG-N 3.15Å
51K95.8Very high97.3Very high129 Ų12960.6 Ų60.656%0.56133%0.327SS*.SBendtrans-88.32.5172.5-59.7177.3-175170.80112.7N23 V28N23-K51 WeakPolarHBondContact OD1-CB 3.4Å; N23-K51 PolarHBondContact OD1-N 2.73Å; V28-K51 HydrophobicContact CG2-CB 4.46Å
52V97.6Very high97.3Very high12 Ų1257.1 Ų57.17%0.07331%0.308CS..  trans-67.8136-179.4-178.80000109.8I19 M20 N23 V29 A31 F42 L43 A47 S50I19-V52 HydrophobicContact CG2-CB 4.36Å; I19-V52 HydrophobicContact CG2-CG1 3.79Å; I19-V52 HydrophobicContact CG2-CG2 3.54Å; M20-V52 HydrophobicContact SD-CG2 4.43Å; N23-V52 HydrophobicContact CB-CG2 3.95Å; V29-V52 WeakPolarHBondContact O-CA 3.36Å; A31-V52 HydrophobicContact CB-CG1 3.93Å; F42-V52 HydrophobicContact CE1-CG1 4.07Å; L43-V52 HydrophobicContact CD2-CB 4.38Å; L43-V52 HydrophobicContact CD2-CG1 4.03Å; A47-V52 HydrophobicContact CB-CB 4.16Å; A47-V52 HydrophobicContact CB-CG1 4.45Å; A47-V52 HydrophobicContact CB-CG2 4.34Å; S50-V52 VanDerWaalsContact C-N 3.3Å; S50-V52 WeakPolarHBondContact OG-CB 3.29Å; S50-V52 VanDerWaalsContact OG-CG2 3.29Å; S50-V52 WeakPolarHBondContact OG-CG2 3.44Å; S50-V52 PolarHBondContact OG-N 3.26Å; S50-V52 VanDerWaalsContact OG-N 3.15Å
53V97.4Very high97.2Very high54 Ų5461.2 Ų61.233%0.32734%0.337SS..EExtended strand (participates in β ladder)trans-115.2142175.9-61.20000110.2V29 C30 A31V29-V53 PolarHBondContact O-N 2.95Å; C30-V53 CarbonylContact C-O 3.51Å; C30-V53 VanDerWaalsContact CA-O 3.29Å; C30-V53 WeakPolarHBondContact CA-O 3.32Å; C30-V53 HydrophobicContact CB-CG2 3.98Å; A31-V53 PolarHBondContact N-O 3.46Å
54G97.3Very high97.2Very high14 Ų1461.5 Ų61.514%0.14434%0.336CS..EExtended strand (participates in β ladder)trans-90.4158.117400000112.6A31 K64A31-G54 WeakPolarHBondContact O-CA 3.38Å; G54-K64 PolarHBondContact O-NZ 2.91Å
55A97.8Very high97.3Very high0 Ų056.3 Ų56.30%031%0.313CS..  trans-122.1145.9166.500000112.2A31 Y32 D60 M61A31-A55 PolarHBondContact O-N 2.77Å; Y32-A55 HydrophobicContact CD2-CB 4.12Å; Y32-A55 WeakPolarHBondContact CD2-O 3.46Å; A55-D60 WeakPolarHBondContact CA-OD2 3.39Å; A55-D60 HydrophobicContact CB-CB 4.5Å; A55-M61 HydrophobicContact CB-CB 3.55Å; A55-M61 HydrophobicContact CB-CG 4.21Å
56E97.4Very high97.3Very high106 Ų10655 Ų5550%0.49530%0.302SS..SBendtrans-91.6-24.7-179.5-59.5-64.1153.300112.4V36 H40 D60V36-E56 WeakPolarHBondContact CG1-OE2 3.42Å; H40-E56 IonicContact CE1-OE1 3.62Å; H40-E56 PolarHBondContact CE1-OE1 3.44Å; H40-E56 IonicContact CE1-OE2 2.84Å; H40-E56 IonicContact NE2-OE1 3.5Å; H40-E56 IonicContact NE2-OE2 2.73Å; E56-D60 PolarHBondContact N-OD2 2.75Å
57S98.1Very high97.3Very high38 Ų3856 Ų5627%0.26631%0.305SS..SBendtrans-145.4170.9178.288.90000111.3E59 D60 M61S57-E59 VanDerWaalsContact CB-OE2 3.31Å; S57-E59 WeakPolarHBondContact CB-OE2 3.38Å; S57-E59 PolarHBondContact OG-N 2.97Å; S57-E59 PolarHBondContact OG-OE2 3.33Å; S57-D60 PolarHBondContact O-N 2.88Å; S57-D60 PolarHBondContact OG-N 2.78Å; S57-D60 VanDerWaalsContact OG-N 3.11Å; S57-M61 WeakPolarHBondContact O-CB 3.29Å; S57-M61 PolarHBondContact O-N 2.73Å
58L97.9Very high97.3Very high13 Ų1357.3 Ų57.37%0.06831%0.313CS..Hα-helixtrans-65.6-39.5174.8-74.6174.3000111.6I9 Y32 M61 V62 F84 K87 L88 L91I9-L58 HydrophobicContact CD1-CD2 3.81Å; Y32-L58 HydrophobicContact CD1-CD2 3.75Å; Y32-L58 HydrophobicContact CE1-CD2 3.34Å; Y32-L58 HydrophobicContact CE1-CG 3.79Å; L58-M61 HydrophobicContact CD2-CE 4.18Å; L58-M61 WeakPolarHBondContact O-CB 3.33Å; L58-M61 PolarHBondContact O-N 2.96Å; L58-V62 WeakPolarHBondContact O-CB 3.47Å; L58-V62 VanDerWaalsContact O-CG2 3.24Å; L58-V62 WeakPolarHBondContact O-CG2 3.05Å; L58-V62 PolarHBondContact O-N 3.23Å; L58-F84 HydrophobicContact CD1-CD1 4.42Å; L58-F84 HydrophobicContact CD2-CD1 4.26Å; L58-F84 HydrophobicContact CD2-CE1 4.21Å; L58-K87 HydrophobicContact CD1-CB 3.59Å; L58-K87 HydrophobicContact CD1-CD 4.07Å; L58-K87 HydrophobicContact CD1-CG 4.44Å; L58-L88 HydrophobicContact CD2-CD2 4.02Å; L58-L91 HydrophobicContact CB-CD1 3.85Å
59E97.9Very high97.4Very high112 Ų11251 Ų5152%0.52329%0.285SS..Hα-helixtrans-63-45.1176.2-58.276-168.700110.9S57 V62 S63 L91S57-E59 VanDerWaalsContact CB-OE2 3.31Å; S57-E59 WeakPolarHBondContact CB-OE2 3.38Å; S57-E59 PolarHBondContact OG-N 2.97Å; S57-E59 PolarHBondContact OG-OE2 3.33Å; E59-V62 PolarHBondContact O-N 2.91Å; E59-S63 WeakPolarHBondContact O-CB 3.2Å; E59-S63 PolarHBondContact O-N 3.26Å; E59-L91 HydrophobicContact CG-CD1 4.09Å; E59-L91 HydrophobicContact CG-CD2 3.98Å
60D97.8Very high97.6Very high42 Ų4248.1 Ų48.123%0.22525%0.248CC..Hα-helixtrans-60.4-47.1174.9177.538.2000110.9A55 E56 S57 V62 S63 K64A55-D60 WeakPolarHBondContact CA-OD2 3.39Å; A55-D60 HydrophobicContact CB-CB 4.5Å; E56-D60 PolarHBondContact N-OD2 2.75Å; S57-D60 PolarHBondContact O-N 2.88Å; S57-D60 PolarHBondContact OG-N 2.78Å; S57-D60 VanDerWaalsContact OG-N 3.11Å; D60-V62 PolarHBondContact O-N 2.94Å; D60-S63 PolarHBondContact O-N 3.38Å; D60-S63 PolarHBondContact O-OG 3.48Å; D60-K64 WeakPolarHBondContact O-CG 3.39Å; D60-K64 PolarHBondContact O-N 3.27Å; D60-K64 WeakPolarHBondContact OD1-CE 3.45Å; D60-K64 IonicContact OD1-NZ 3.12Å; D60-K64 PolarHBondContact OD1-NZ 3.4Å; D60-K64 IonicContact OD2-NZ 2.65Å; D60-K64 PolarHBondContact OD2-NZ 2.81Å
61M98.1Very high97.7Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-57.2-50.6175.8-174-160.268.400111.7A7 I9 Y32 A55 S57 L58 S63 K64 I71 L88A7-M61 HydrophobicContact CB-CE 4.37Å; A7-M61 HydrophobicContact CB-CG 3.85Å; A7-M61 HydrophobicContact CB-SD 3.67Å; I9-M61 HydrophobicContact CD1-CE 3.98Å; I9-M61 HydrophobicContact CD1-SD 3.89Å; I9-M61 HydrophobicContact CG1-CE 4.44Å; I9-M61 HydrophobicContact CG1-SD 3.75Å; Y32-M61 HydrophobicContact CD1-SD 4.22Å; Y32-M61 HydrophobicContact CG-SD 4.16Å; A55-M61 HydrophobicContact CB-CB 3.55Å; A55-M61 HydrophobicContact CB-CG 4.21Å; S57-M61 WeakPolarHBondContact O-CB 3.29Å; S57-M61 PolarHBondContact O-N 2.73Å; L58-M61 HydrophobicContact CD2-CE 4.18Å; L58-M61 WeakPolarHBondContact O-CB 3.33Å; L58-M61 PolarHBondContact O-N 2.96Å; M61-S63 VanDerWaalsContact C-N 3.27Å; M61-S63 PolarHBondContact O-N 2.9Å; M61-K64 PolarHBondContact O-N 3.06Å; M61-K64 VanDerWaalsContact O-N 3.16Å; M61-I71 HydrophobicContact CE-CD1 3.82Å; M61-I71 HydrophobicContact CE-CG1 4.34Å; M61-I71 HydrophobicContact CE-CG2 4.09Å; M61-L88 HydrophobicContact CE-CD2 3.79Å
62V97.9Very high97.8Very high9 Ų940.6 Ų40.66%0.05521%0.211CC..Hα-helixtrans-62.2-35-179.3167.40000111.7L58 E59 D60 K64 R69 I71 L88 L91 L92L58-V62 WeakPolarHBondContact O-CB 3.47Å; L58-V62 VanDerWaalsContact O-CG2 3.24Å; L58-V62 WeakPolarHBondContact O-CG2 3.05Å; L58-V62 PolarHBondContact O-N 3.23Å; E59-V62 PolarHBondContact O-N 2.91Å; D60-V62 PolarHBondContact O-N 2.94Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 3.02Å; V62-R69 PolarHBondContact O-NE 3.05Å; V62-I71 HydrophobicContact CG2-CD1 4.35Å; V62-L88 HydrophobicContact CG2-CD2 4.21Å; V62-L91 HydrophobicContact CG1-CB 4.23Å; V62-L91 WeakPolarHBondContact CG1-O 3.26Å; V62-L91 HydrophobicContact CG2-CB 4.12Å; V62-L91 HydrophobicContact CG2-CD1 4.33Å; V62-L92 HydrophobicContact CG1-CD2 4.47Å; V62-L92 HydrophobicContact CG2-CD2 4.33Å
63S97.2Very high97.8Very high88 Ų8840 Ų4062%0.61521%0.208SC*.Hα-helixtrans-68.2-23.4178.382.30000113.9E59 D60 M61E59-S63 WeakPolarHBondContact O-CB 3.2Å; E59-S63 PolarHBondContact O-N 3.26Å; D60-S63 PolarHBondContact O-N 3.38Å; D60-S63 PolarHBondContact O-OG 3.48Å; M61-S63 VanDerWaalsContact C-N 3.27Å; M61-S63 PolarHBondContact O-N 2.9Å
64K97.6Very high97.7Very high57 Ų5738.6 Ų38.625%0.24820%0.198CC..Hα-helixtrans-84.6-14.5-177.4-73.5166.4173.51630113.8Q3 A4 G54 D60 M61 V62Q3-K64 PolarHBondContact N-O 3.33Å; A4-K64 PolarHBondContact N-O 2.76Å; G54-K64 PolarHBondContact O-NZ 2.91Å; D60-K64 WeakPolarHBondContact O-CG 3.39Å; D60-K64 PolarHBondContact O-N 3.27Å; D60-K64 WeakPolarHBondContact OD1-CE 3.45Å; D60-K64 IonicContact OD1-NZ 3.12Å; D60-K64 PolarHBondContact OD1-NZ 3.4Å; D60-K64 IonicContact OD2-NZ 2.65Å; D60-K64 PolarHBondContact OD2-NZ 2.81Å; M61-K64 PolarHBondContact O-N 3.06Å; M61-K64 VanDerWaalsContact O-N 3.16Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 3.02Å
65L98.1Very high97.5Very high15 Ų1539.3 Ų39.38%0.07920%0.199CC..BIsolated β-bridgetrans-86.8141.2-170.9-64.1170.1000114A4 I6 A7 C30 R69 I71A4-L65 HydrophobicContact CB-CD2 3.9Å; I6-L65 VanDerWaalsContact C-CD2 3.48Å; A7-L65 HydrophobicContact CB-CD1 3.83Å; A7-L65 HydrophobicContact CB-CD2 3.71Å; A7-L65 HydrophobicContact CB-CG 4.28Å; C30-L65 HydrophobicContact CB-CD2 4.28Å; L65-R69 HydrophobicContact CB-CB 4.25Å; L65-R69 HydrophobicContact CB-CG 4.03Å; L65-R69 HydrophobicContact CD1-CB 4.17Å; L65-I71 HydrophobicContact CD1-CD1 4.05Å; L65-I71 HydrophobicContact CD1-CG1 3.67Å
66K97.5Very high97Very high73 Ų7347.8 Ų47.832%0.31724%0.236SC..PPolyproline II helixtrans-66.2144.8165.9-66.1174.5-174.7167.40110Q3 A4 D5 P68 R69Q3-K66 VanDerWaalsContact CB-CE 3.5Å; Q3-K66 HydrophobicContact CB-CG 4.35Å; Q3-K66 WeakPolarHBondContact O-CE 3.29Å; A4-K66 WeakPolarHBondContact O-CG 3.49Å; A4-K66 PolarHBondContact O-N 3.13Å; D5-K66 IonicContact OD1-NZ 3.65Å; D5-K66 PolarHBondContact OD1-NZ 2.63Å; D5-K66 IonicContact OD2-NZ 3.88Å; K66-P68 CarbonylContact O-C 3.48Å; K66-P68 VanDerWaalsContact O-C 3.32Å; K66-P68 VanDerWaalsContact O-O 3.06Å; K66-R69 WeakPolarHBondContact O-CA 3.35Å; K66-R69 PolarHBondContact O-N 2.77Å
67K96.7Very high96.5Very high128 Ų12844.5 Ų44.556%0.55723%0.228SC*.SBendtrans-84148.2172.9-66.5179.1173.8-162.30111.9E93K67-E93 WeakPolarHBondContact CD-OE1 3.39Å; K67-E93 VanDerWaalsContact CE-CD 3.45Å; K67-E93 WeakPolarHBondContact CE-OE1 3.35Å; K67-E93 WeakPolarHBondContact CE-OE2 3.46Å; K67-E93 IonicContact NZ-OE1 2.69Å; K67-E93 PolarHBondContact NZ-OE1 2.92Å; K67-E93 IonicContact NZ-OE2 2.78Å; K67-E93 PolarHBondContact NZ-OE2 3.39Å
68P97.4Very high96Very high33 Ų3344.1 Ų44.121%0.21423%0.23CC..SBendcis-60.5138.9-16.327.8-33.6000109.6K66 R70 G95 H155K66-P68 CarbonylContact O-C 3.48Å; K66-P68 VanDerWaalsContact O-C 3.32Å; K66-P68 VanDerWaalsContact O-O 3.06Å; P68-R70 PolarHBondContact O-NH1 2.88Å; P68-G95 VanDerWaalsContact CB-O 3.29Å; P68-G95 WeakPolarHBondContact CB-O 3.38Å; P68-H155 HydrophobicContact CG-CB 4.41Å
69R98.6Very high95.6Very high32 Ų3249.4 Ų49.412%0.12125%0.254CS..PPolyproline II helixtrans-67.1137.7-175.5-59-179.5-179.184.5-6.1109.3V62 L65 K66 L92 E93 D96 I97V62-R69 PolarHBondContact O-NE 3.05Å; L65-R69 HydrophobicContact CB-CB 4.25Å; L65-R69 HydrophobicContact CB-CG 4.03Å; L65-R69 HydrophobicContact CD1-CB 4.17Å; K66-R69 WeakPolarHBondContact O-CA 3.35Å; K66-R69 PolarHBondContact O-N 2.77Å; R69-L92 HydrophobicContact CB-CD2 4.34Å; R69-E93 IonicContact CZ-OE2 2.76Å; R69-E93 VanDerWaalsContact NH1-CD 3.27Å; R69-E93 IonicContact NH1-OE2 2.84Å; R69-E93 PolarHBondContact NH1-OE2 2.88Å; R69-E93 IonicContact NH2-OE2 3.17Å; R69-E93 PolarHBondContact NH2-OE2 2.94Å; R69-D96 HydrophobicContact CB-CB 4.16Å; R69-D96 WeakPolarHBondContact CB-OD1 3.42Å; R69-D96 WeakPolarHBondContact CD-OD2 3.32Å; R69-D96 WeakPolarHBondContact CG-OD1 3.17Å; R69-D96 IonicContact CZ-OD2 3.71Å; R69-D96 PolarHBondContact N-OD1 3.13Å; R69-D96 IonicContact NE-OD2 3.65Å; R69-D96 IonicContact NH1-OD1 3.57Å; R69-D96 IonicContact NH1-OD2 3.53Å; R69-D96 PolarHBondContact NH1-OD2 3.19Å; R69-I97 PolarHBondContact O-N 3.27Å
70R98.7Very high95.2Very high22 Ų2245.6 Ų45.68%0.08324%0.241CC..EExtended strand (participates in β ladder)trans-120.3120.5178.9-67162.6-66.7-81.8-9.7108.6D5 I6 A7 P68 I97 H155 I156D5-R70 PolarHBondContact O-NE 3.34Å; D5-R70 PolarHBondContact O-NH2 3.31Å; I6-R70 HydrophobicContact CB-CB 4.36Å; I6-R70 HydrophobicContact CD1-CB 4.11Å; I6-R70 HydrophobicContact CG1-CB 3.83Å; I6-R70 WeakPolarHBondContact CG1-O 3.33Å; A7-R70 PolarHBondContact N-O 3.21Å; P68-R70 PolarHBondContact O-NH1 2.88Å; R70-I97 HydrophobicContact CG-CB 4.47Å; R70-I97 HydrophobicContact CG-CD1 4.13Å; R70-H155 VanDerWaalsContact CD-O 3.25Å; R70-H155 WeakPolarHBondContact CD-O 3.44Å; R70-I156 HydrophobicContact CG-CG2 4.2Å
71I98.8Very high95Very high0 Ų043.6 Ų43.60%023%0.231CC..EExtended strand (participates in β ladder)trans-131.7116-174.7-54.5175.3000109.3A7 I9 M61 V62 L65 L73 L88 L92 I97 I99A7-I71 HydrophobicContact CB-CG1 4.33Å; A7-I71 HydrophobicContact CB-CG2 4.35Å; I9-I71 HydrophobicContact CD1-CG2 3.98Å; I9-I71 HydrophobicContact CG1-CG2 4.08Å; M61-I71 HydrophobicContact CE-CD1 3.82Å; M61-I71 HydrophobicContact CE-CG1 4.34Å; M61-I71 HydrophobicContact CE-CG2 4.09Å; V62-I71 HydrophobicContact CG2-CD1 4.35Å; L65-I71 HydrophobicContact CD1-CD1 4.05Å; L65-I71 HydrophobicContact CD1-CG1 3.67Å; I71-L73 HydrophobicContact CG2-CD2 4.21Å; I71-L88 HydrophobicContact CD1-CD1 4.48Å; I71-L88 HydrophobicContact CD1-CD2 3.87Å; I71-L88 HydrophobicContact CG2-CD1 4.14Å; I71-L92 HydrophobicContact CD1-CD1 4.49Å; I71-L92 HydrophobicContact CD1-CD2 3.8Å; I71-I97 PolarHBondContact N-O 2.95Å; I71-I99 PolarHBondContact O-N 3.44Å
72I98.6Very high94.7Very high5 Ų544.5 Ų44.53%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-89.9127.7172.8-59.7172.8000109.5I6 A7 L8 I9 M22 I99 F160I6-I72 HydrophobicContact CD1-CD1 3.53Å; I6-I72 HydrophobicContact CD1-CG1 3.78Å; I6-I72 HydrophobicContact CG1-CD1 4.26Å; I6-I72 HydrophobicContact CG1-CG1 4.25Å; A7-I72 PolarHBondContact O-N 3.24Å; L8-I72 CarbonylContact C-O 3.56Å; L8-I72 WeakPolarHBondContact CA-O 3.13Å; L8-I72 HydrophobicContact CB-CB 4.45Å; L8-I72 HydrophobicContact CD1-CB 4.3Å; L8-I72 HydrophobicContact CD1-CG2 4.07Å; L8-I72 HydrophobicContact CG-CB 4.23Å; L8-I72 HydrophobicContact CG-CG2 4.26Å; I9-I72 PolarHBondContact N-O 3.43Å; M22-I72 HydrophobicContact CE-CD1 4.35Å; M22-I72 HydrophobicContact SD-CD1 4.22Å; I72-I99 CarbonylContact C-O 2.9Å; I72-I99 WeakPolarHBondContact CA-O 3.26Å; I72-I99 HydrophobicContact CG1-CB 4.08Å; I72-I99 HydrophobicContact CG1-CD1 3.78Å; I72-I99 HydrophobicContact CG1-CG2 4.24Å; I72-F160 HydrophobicContact CD1-CE2 4.34Å
73L97.7Very high94.5Very high0 Ų047.4 Ų47.40%025%0.251CS..EExtended strand (participates in β ladder)trans-98.2111168.8-53.6-177.2000108.1I9 I71 V81 F84 I85 L88 I98 I99 G101I9-L73 HydrophobicContact CB-CD2 3.95Å; I9-L73 HydrophobicContact CD1-CD2 3.65Å; I9-L73 HydrophobicContact CG1-CD2 4.01Å; I71-L73 HydrophobicContact CG2-CD2 4.21Å; L73-V81 HydrophobicContact CD1-CG1 3.87Å; L73-F84 HydrophobicContact CD1-CB 4.3Å; L73-F84 HydrophobicContact CD2-CB 4.23Å; L73-I85 HydrophobicContact CD1-CG1 3.93Å; L73-L88 HydrophobicContact CD2-CD1 3.96Å; L73-I98 HydrophobicContact CD1-CG2 3.79Å; L73-I98 HydrophobicContact CG-CG2 4.15Å; L73-I99 PolarHBondContact N-O 3.41Å; L73-G101 PolarHBondContact O-N 2.98Å
74L95.5Very high94.4Very high23 Ų2344.2 Ų44.212%0.1223%0.226CC..  trans-118.557.3174.6-152.674.7000110.4L8 I9 M14 G15 G101 V131L8-L74 HydrophobicContact CD2-CB 4.24Å; L8-L74 HydrophobicContact CG-CB 4.46Å; I9-L74 CarbonylContact O-C 3.54Å; I9-L74 PolarHBondContact O-N 2.95Å; M14-L74 HydrophobicContact CB-CD2 3.68Å; G15-L74 VanDerWaalsContact CA-CD2 3.43Å; L74-G101 VanDerWaalsContact CD1-C 3.48Å; L74-G101 WeakPolarHBondContact CD1-O 3.4Å; L74-V131 HydrophobicContact CD1-CG2 4.5Å
75V91.4Very high94.3Very high29 Ų2941.9 Ų41.918%0.17622%0.216CC..SBendtrans-110.6176.4-176.4-59.40000110.9I9 A77 A80 V81 F84I9-V75 HydrophobicContact CG2-CG1 4.13Å; V75-A77 PolarHBondContact O-N 3.03Å; V75-A80 HydrophobicContact CG2-CB 4.48Å; V75-V81 HydrophobicContact CG2-CB 4.42Å; V75-V81 HydrophobicContact CG2-CG2 3.59Å; V75-F84 HydrophobicContact CG1-CD2 4.12Å; V75-F84 HydrophobicContact CG1-CE2 3.87Å; V75-F84 HydrophobicContact CG2-CD2 4.27Å
76K88.3Confident94.2Very high178 Ų17846.1 Ų46.177%0.77424%0.239SC*.  trans-58.3127.6174.4-176.7178.7176.3-1770109.5
77A87.3Confident94.2Very high38 Ų3848.5 Ų48.531%0.31425%0.249SC..SBendtrans-58.5154.9176.300000112.3V75 N103V75-A77 PolarHBondContact O-N 3.03Å; A77-N103 WeakPolarHBondContact CB-O 3.4Å
78G87.2Confident94.2Very high30 Ų3042.4 Ų42.431%0.30922%0.223SC..SBendtrans93.6-140.3-176.300000112.5A80 V81G78-A80 PolarHBondContact O-N 2.81Å; G78-A80 VanDerWaalsContact O-N 3.11Å; G78-V81 PolarHBondContact O-N 3.34Å
79Q88.6Confident94.2Very high123 Ų12342.1 Ų42.158%0.57522%0.22SC*.Hα-helixtrans-53.2-36.6-170.6-170.160.548.900113.9V81 D82 D83Q79-V81 PolarHBondContact O-N 3.24Å; Q79-D82 PolarHBondContact O-N 3.39Å; Q79-D82 VanDerWaalsContact O-N 3.08Å; Q79-D83 PolarHBondContact NE2-OD1 3.16Å; Q79-D83 PolarHBondContact O-N 3.35Å
80A91.3Very high94.2Very high32 Ų3245.4 Ų45.426%0.26425%0.246SC..Hα-helixtrans-63.6-29.8-178.600000113.1V75 G78 F84V75-A80 HydrophobicContact CG2-CB 4.48Å; G78-A80 PolarHBondContact O-N 2.81Å; G78-A80 VanDerWaalsContact O-N 3.11Å; A80-F84 VanDerWaalsContact O-CD2 3.24Å; A80-F84 WeakPolarHBondContact O-CD2 3.33Å; A80-F84 PolarHBondContact O-N 3.39Å
81V92.3Very high94.2Very high0 Ų046.8 Ų46.80%025%0.254CS..Hα-helixtrans-71.9-42.5173.91780000110.2L73 V75 G78 Q79 F84 I85 R115L73-V81 HydrophobicContact CD1-CG1 3.87Å; V75-V81 HydrophobicContact CG2-CB 4.42Å; V75-V81 HydrophobicContact CG2-CG2 3.59Å; G78-V81 PolarHBondContact O-N 3.34Å; Q79-V81 PolarHBondContact O-N 3.24Å; V81-F84 PolarHBondContact O-N 2.96Å; V81-I85 HydrophobicContact CG1-CD1 3.92Å; V81-I85 HydrophobicContact CG1-CG1 4.45Å; V81-I85 WeakPolarHBondContact O-CG1 3.31Å; V81-I85 PolarHBondContact O-N 3.22Å; V81-R115 VanDerWaalsContact CB-NH2 3.31Å; V81-R115 VanDerWaalsContact CG1-NH1 3.27Å
82D91.8Very high94.1Very high20 Ų2047.8 Ų47.811%0.10726%0.26CS..Hα-helixtrans-62.4-45.2177.5-72.6-14000111.7Q79 F84 I85 D86 R114 R115Q79-D82 PolarHBondContact O-N 3.39Å; Q79-D82 VanDerWaalsContact O-N 3.08Å; D82-F84 PolarHBondContact O-N 2.84Å; D82-I85 PolarHBondContact O-N 3Å; D82-D86 PolarHBondContact O-N 2.93Å; D82-R114 IonicContact OD1-CZ 2.66Å; D82-R114 IonicContact OD1-NH2 3.96Å; D82-R114 PolarHBondContact OD1-NH2 2.79Å; D82-R114 IonicContact OD2-CZ 2.71Å; D82-R114 IonicContact OD2-NH1 2.91Å; D82-R114 IonicContact OD2-NH2 3.73Å; D82-R114 PolarHBondContact OD2-NH2 2.88Å; D82-R115 IonicContact OD1-CZ 2.78Å; D82-R115 IonicContact OD1-NE 2.88Å; D82-R115 PolarHBondContact OD1-NE 3.23Å; D82-R115 IonicContact OD1-NH2 3.74Å; D82-R115 PolarHBondContact OD1-NH2 3.16Å; D82-R115 IonicContact OD2-NH2 3.78Å
83D94.1Very high94.1Very high69 Ų6951.2 Ų51.237%0.36928%0.276SS..Hα-helixtrans-58-33.6177.1-64.3-15.2000112.5Q79 K87Q79-D83 PolarHBondContact NE2-OD1 3.16Å; Q79-D83 PolarHBondContact O-N 3.35Å; D83-K87 WeakPolarHBondContact O-CD 3.48Å; D83-K87 VanDerWaalsContact O-CG 3.28Å; D83-K87 WeakPolarHBondContact O-CG 3.24Å; D83-K87 PolarHBondContact O-N 2.91Å
84F95.3Very high94.1Very high22 Ų2254.9 Ų54.910%0.09631%0.306CS..Hα-helixtrans-76.5-42.1175.1-90-62.2000112I9 Y32 R34 L58 L73 V75 A80 V81 D82 D86 K87 L88I9-F84 HydrophobicContact CD1-CD1 4.09Å; I9-F84 HydrophobicContact CD1-CE1 4.34Å; I9-F84 HydrophobicContact CG2-CD1 4.16Å; I9-F84 HydrophobicContact CG2-CD2 4.28Å; I9-F84 HydrophobicContact CG2-CE1 3.74Å; I9-F84 HydrophobicContact CG2-CE2 3.86Å; I9-F84 HydrophobicContact CG2-CG 4.43Å; I9-F84 HydrophobicContact CG2-CZ 3.56Å; Y32-F84 HydrophobicContact CE1-CE1 4.06Å; R34-F84 HydrophobicContact CB-CZ 4.21Å; L58-F84 HydrophobicContact CD1-CD1 4.42Å; L58-F84 HydrophobicContact CD2-CD1 4.26Å; L58-F84 HydrophobicContact CD2-CE1 4.21Å; L73-F84 HydrophobicContact CD1-CB 4.3Å; L73-F84 HydrophobicContact CD2-CB 4.23Å; V75-F84 HydrophobicContact CG1-CD2 4.12Å; V75-F84 HydrophobicContact CG1-CE2 3.87Å; V75-F84 HydrophobicContact CG2-CD2 4.27Å; A80-F84 VanDerWaalsContact O-CD2 3.24Å; A80-F84 WeakPolarHBondContact O-CD2 3.33Å; A80-F84 PolarHBondContact O-N 3.39Å; V81-F84 PolarHBondContact O-N 2.96Å; D82-F84 PolarHBondContact O-N 2.84Å; F84-D86 VanDerWaalsContact C-N 3.32Å; F84-D86 PolarHBondContact O-N 2.81Å; F84-K87 PolarHBondContact O-N 3.01Å; F84-L88 WeakPolarHBondContact O-CB 3.37Å; F84-L88 VanDerWaalsContact O-CG 3.22Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 2.78Å
85I94.9Very high94.1Very high7 Ų755.1 Ų55.14%0.03631%0.314CS..Hα-helixtrans-58.1-47.9176.1-69.8170.6000109.8L73 V81 D82 K87 L88 V89 I98 R115 L119 F126L73-I85 HydrophobicContact CD1-CG1 3.93Å; V81-I85 HydrophobicContact CG1-CD1 3.92Å; V81-I85 HydrophobicContact CG1-CG1 4.45Å; V81-I85 WeakPolarHBondContact O-CG1 3.31Å; V81-I85 PolarHBondContact O-N 3.22Å; D82-I85 PolarHBondContact O-N 3Å; I85-K87 VanDerWaalsContact C-N 3.26Å; I85-K87 PolarHBondContact O-N 2.78Å; I85-L88 PolarHBondContact O-N 2.9Å; I85-L88 VanDerWaalsContact O-N 3.08Å; I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 VanDerWaalsContact O-CG2 3.23Å; I85-V89 WeakPolarHBondContact O-CG2 3.43Å; I85-V89 PolarHBondContact O-N 2.91Å; I85-I98 HydrophobicContact CG1-CD1 4.45Å; I85-I98 HydrophobicContact CG1-CG2 4.32Å; I85-I98 HydrophobicContact CG2-CD1 4.44Å; I85-R115 HydrophobicContact CD1-CG 3.83Å; I85-L119 HydrophobicContact CG2-CD1 4.29Å; I85-L119 HydrophobicContact CG2-CD2 3.99Å; I85-F126 HydrophobicContact CD1-CE2 3.97Å
86D95.9Very high94.5Very high105 Ų10553.8 Ų53.856%0.56131%0.306SS*.Hα-helixtrans-60.6-35.2-179.1-73.1-18.3000112.8D82 F84 P90D82-D86 PolarHBondContact O-N 2.93Å; F84-D86 VanDerWaalsContact C-N 3.32Å; F84-D86 PolarHBondContact O-N 2.81Å; D86-P90 WeakPolarHBondContact O-CD 3.5Å
87K97.3Very high95Very high123 Ų12345.3 Ų45.354%0.53527%0.269SS..Hα-helixtrans-78.1-30175.6-69.8173-176.6175.50113.5L58 D83 F84 I85 P90L58-K87 HydrophobicContact CD1-CB 3.59Å; L58-K87 HydrophobicContact CD1-CD 4.07Å; L58-K87 HydrophobicContact CD1-CG 4.44Å; D83-K87 WeakPolarHBondContact O-CD 3.48Å; D83-K87 VanDerWaalsContact O-CG 3.28Å; D83-K87 WeakPolarHBondContact O-CG 3.24Å; D83-K87 PolarHBondContact O-N 2.91Å; F84-K87 PolarHBondContact O-N 3.01Å; I85-K87 VanDerWaalsContact C-N 3.26Å; I85-K87 PolarHBondContact O-N 2.78Å; K87-P90 WeakPolarHBondContact O-CD 3.27Å; K87-P90 WeakPolarHBondContact O-CG 3.35Å
88L97.8Very high95.5Very high0 Ų043.5 Ų43.50%025%0.254CS..Hα-helixtrans-78.1-43.1-179.7-76.8170.7000111.9I9 L58 M61 V62 I71 L73 F84 I85 P90 L91 L92 I98I9-L88 HydrophobicContact CD1-CD1 4.15Å; L58-L88 HydrophobicContact CD2-CD2 4.02Å; M61-L88 HydrophobicContact CE-CD2 3.79Å; V62-L88 HydrophobicContact CG2-CD2 4.21Å; I71-L88 HydrophobicContact CD1-CD1 4.48Å; I71-L88 HydrophobicContact CD1-CD2 3.87Å; I71-L88 HydrophobicContact CG2-CD1 4.14Å; L73-L88 HydrophobicContact CD2-CD1 3.96Å; F84-L88 WeakPolarHBondContact O-CB 3.37Å; F84-L88 VanDerWaalsContact O-CG 3.22Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 2.78Å; I85-L88 PolarHBondContact O-N 2.9Å; I85-L88 VanDerWaalsContact O-N 3.08Å; L88-P90 VanDerWaalsContact C-CD 3.46Å; L88-L91 WeakPolarHBondContact O-CA 3.29Å; L88-L91 WeakPolarHBondContact O-CB 3.16Å; L88-L91 PolarHBondContact O-N 3.31Å; L88-L92 HydrophobicContact CB-CD1 4.2Å; L88-L92 WeakPolarHBondContact O-CG 3.24Å; L88-L92 PolarHBondContact O-N 3.47Å; L88-I98 HydrophobicContact CB-CD1 4.33Å; L88-I98 HydrophobicContact CD1-CD1 4.49Å
89V97.7Very high96Very high27 Ų2742.1 Ų42.116%0.16424%0.24CC..G310 helixtrans-44.8-48.8-178.3165.60000114.2I85 L91 L92 L119 K122 L124I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 VanDerWaalsContact O-CG2 3.23Å; I85-V89 WeakPolarHBondContact O-CG2 3.43Å; I85-V89 PolarHBondContact O-N 2.91Å; V89-L91 PolarHBondContact O-N 3.21Å; V89-L92 PolarHBondContact O-N 2.94Å; V89-L119 HydrophobicContact CG2-CD2 3.6Å; V89-K122 HydrophobicContact CG1-CD 3.66Å; V89-L124 HydrophobicContact CB-CD1 4.44Å; V89-L124 HydrophobicContact CG1-CD1 4.42Å; V89-L124 HydrophobicContact CG2-CD1 3.94Å
90P98Very high96.4Very high100 Ų10036.3 Ų36.365%0.64921%0.213SC*.G310 helixtrans-69.2-12.5179.927.6-36.3000114.4D86 K87 L88D86-P90 WeakPolarHBondContact O-CD 3.5Å; K87-P90 WeakPolarHBondContact O-CD 3.27Å; K87-P90 WeakPolarHBondContact O-CG 3.35Å; L88-P90 VanDerWaalsContact C-CD 3.46Å
91L98.2Very high96.5Very high51 Ų5135 Ų3527%0.26720%0.202SC..G310 helixtrans-99.8-11.4-179.3-52.5-179.7000112.8L58 E59 V62 L88 V89L58-L91 HydrophobicContact CB-CD1 3.85Å; E59-L91 HydrophobicContact CG-CD1 4.09Å; E59-L91 HydrophobicContact CG-CD2 3.98Å; V62-L91 HydrophobicContact CG1-CB 4.23Å; V62-L91 WeakPolarHBondContact CG1-O 3.26Å; V62-L91 HydrophobicContact CG2-CB 4.12Å; V62-L91 HydrophobicContact CG2-CD1 4.33Å; L88-L91 WeakPolarHBondContact O-CA 3.29Å; L88-L91 WeakPolarHBondContact O-CB 3.16Å; L88-L91 PolarHBondContact O-N 3.31Å; V89-L91 PolarHBondContact O-N 3.21Å
92L98.1Very high96.4Very high22 Ų2235.3 Ų35.312%0.11521%0.206CC..  trans-100.3161.7-175.8-62.8179.6000111.9V62 R69 I71 L88 V89 D96 I98 L124V62-L92 HydrophobicContact CG1-CD2 4.47Å; V62-L92 HydrophobicContact CG2-CD2 4.33Å; R69-L92 HydrophobicContact CB-CD2 4.34Å; I71-L92 HydrophobicContact CD1-CD1 4.49Å; I71-L92 HydrophobicContact CD1-CD2 3.8Å; L88-L92 HydrophobicContact CB-CD1 4.2Å; L88-L92 WeakPolarHBondContact O-CG 3.24Å; L88-L92 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 2.94Å; L92-D96 HydrophobicContact CB-CB 4.09Å; L92-D96 HydrophobicContact CD1-CB 4.4Å; L92-D96 HydrophobicContact CD2-CB 4.16Å; L92-D96 HydrophobicContact CG-CB 4.43Å; L92-I98 HydrophobicContact CD1-CD1 3.81Å; L92-I98 HydrophobicContact CD1-CG1 3.81Å; L92-L124 HydrophobicContact CB-CD1 4.37Å; L92-L124 HydrophobicContact CB-CD2 3.76Å; L92-L124 HydrophobicContact CD1-CD1 4.41Å; L92-L124 HydrophobicContact CD1-CD2 4.43Å
93E97.3Very high96.1Very high76 Ų7637.6 Ų37.636%0.35522%0.218SC..  trans-121164.4174.971.9-162.9-136.700111.5K67 R69 G95 D96 L124K67-E93 WeakPolarHBondContact CD-OE1 3.39Å; K67-E93 VanDerWaalsContact CE-CD 3.45Å; K67-E93 WeakPolarHBondContact CE-OE1 3.35Å; K67-E93 WeakPolarHBondContact CE-OE2 3.46Å; K67-E93 IonicContact NZ-OE1 2.69Å; K67-E93 PolarHBondContact NZ-OE1 2.92Å; K67-E93 IonicContact NZ-OE2 2.78Å; K67-E93 PolarHBondContact NZ-OE2 3.39Å; R69-E93 IonicContact CZ-OE2 2.76Å; R69-E93 VanDerWaalsContact NH1-CD 3.27Å; R69-E93 IonicContact NH1-OE2 2.84Å; R69-E93 PolarHBondContact NH1-OE2 2.88Å; R69-E93 IonicContact NH2-OE2 3.17Å; R69-E93 PolarHBondContact NH2-OE2 2.94Å; E93-G95 PolarHBondContact O-N 3.35Å; E93-D96 PolarHBondContact N-OD2 2.82Å; E93-D96 VanDerWaalsContact O-CB 3.26Å; E93-D96 WeakPolarHBondContact O-CB 3.35Å; E93-D96 PolarHBondContact O-N 3.14Å; E93-L124 WeakPolarHBondContact O-CD2 3.46Å
94A97.6Very high95.8Very high78 Ų7834.7 Ų34.765%0.64520%0.203SC*.THydrogen-bonded Turntrans-54.5132.6-178.800000111.9G123A94-G123 CarbonylContact C-O 3.54Å; A94-G123 VanDerWaalsContact CA-O 3.29Å; A94-G123 WeakPolarHBondContact CA-O 3.46Å
95G97.1Very high95.1Very high28 Ų2836 Ų3629%0.28921%0.21SC..THydrogen-bonded Turntrans93.6-13.4-174.700000114.9P68 E93 G123P68-G95 VanDerWaalsContact CB-O 3.29Å; P68-G95 WeakPolarHBondContact CB-O 3.38Å; E93-G95 PolarHBondContact O-N 3.35Å; G95-G123 PolarHBondContact N-O 3.29Å
96D98.5Very high94.1Very high1 Ų135.8 Ų35.81%0.00521%0.208CC..  trans-66.7153173.6-72.2-18.6000111.8R69 L92 E93 L124 L125R69-D96 HydrophobicContact CB-CB 4.16Å; R69-D96 WeakPolarHBondContact CB-OD1 3.42Å; R69-D96 WeakPolarHBondContact CD-OD2 3.32Å; R69-D96 WeakPolarHBondContact CG-OD1 3.17Å; R69-D96 IonicContact CZ-OD2 3.71Å; R69-D96 PolarHBondContact N-OD1 3.13Å; R69-D96 IonicContact NE-OD2 3.65Å; R69-D96 IonicContact NH1-OD1 3.57Å; R69-D96 IonicContact NH1-OD2 3.53Å; R69-D96 PolarHBondContact NH1-OD2 3.19Å; L92-D96 HydrophobicContact CB-CB 4.09Å; L92-D96 HydrophobicContact CD1-CB 4.4Å; L92-D96 HydrophobicContact CD2-CB 4.16Å; L92-D96 HydrophobicContact CG-CB 4.43Å; E93-D96 PolarHBondContact N-OD2 2.82Å; E93-D96 VanDerWaalsContact O-CB 3.26Å; E93-D96 WeakPolarHBondContact O-CB 3.35Å; E93-D96 PolarHBondContact O-N 3.14Å; D96-L124 HydrophobicContact CB-CD2 4.03Å; D96-L125 PolarHBondContact O-N 2.95Å
97I98.6Very high92.9Very high0 Ų033.1 Ų33.10%019%0.19CC..EExtended strand (participates in β ladder)trans-123.2121-165.5-47175.4000110.6R69 R70 I71 I99 L125 V127 A152 H155 I156R69-I97 PolarHBondContact O-N 3.27Å; R70-I97 HydrophobicContact CG-CB 4.47Å; R70-I97 HydrophobicContact CG-CD1 4.13Å; I71-I97 PolarHBondContact N-O 2.95Å; I97-I99 HydrophobicContact CG2-CG1 4.07Å; I97-L125 WeakPolarHBondContact CA-O 3.31Å; I97-L125 HydrophobicContact CG1-CB 4.11Å; I97-L125 HydrophobicContact CG1-CD1 4.21Å; I97-L125 HydrophobicContact CG2-CB 4.43Å; I97-V127 HydrophobicContact CG2-CG2 4.37Å; I97-A152 HydrophobicContact CD1-CB 4.1Å; I97-A152 HydrophobicContact CG1-CB 4.43Å; I97-A152 HydrophobicContact CG2-CB 3.87Å; I97-H155 HydrophobicContact CD1-CB 3.42Å; I97-H155 VanDerWaalsContact CD1-CB 3.42Å; I97-I156 HydrophobicContact CD1-CG2 4.18Å; I97-I156 HydrophobicContact CG2-CG2 4.45Å
98I98.3Very high90.5Very high0 Ų031.8 Ų31.80%019%0.189CC..EExtended strand (participates in β ladder)trans-102.6128.6168.3-59.6175.6000108.7L73 I85 L88 L92 L119 L125 F126 V127L73-I98 HydrophobicContact CD1-CG2 3.79Å; L73-I98 HydrophobicContact CG-CG2 4.15Å; I85-I98 HydrophobicContact CG1-CD1 4.45Å; I85-I98 HydrophobicContact CG1-CG2 4.32Å; I85-I98 HydrophobicContact CG2-CD1 4.44Å; L88-I98 HydrophobicContact CB-CD1 4.33Å; L88-I98 HydrophobicContact CD1-CD1 4.49Å; L92-I98 HydrophobicContact CD1-CD1 3.81Å; L92-I98 HydrophobicContact CD1-CG1 3.81Å; I98-L119 HydrophobicContact CD1-CD1 4.32Å; I98-L119 HydrophobicContact CD1-CD2 4.34Å; I98-L125 PolarHBondContact N-O 3.43Å; I98-F126 HydrophobicContact CB-CD2 4.11Å; I98-F126 HydrophobicContact CG2-CD2 4.07Å; I98-F126 HydrophobicContact CG2-CE2 4.08Å; I98-F126 CarbonylContact O-C 3.56Å; I98-F126 VanDerWaalsContact O-CA 3.32Å; I98-F126 WeakPolarHBondContact O-CA 3.48Å; I98-V127 PolarHBondContact O-N 3.06Å
99I98.2Very high87.8Confident1 Ų137.8 Ų37.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-115.4116.4178.5-57.4154.8000107.8I6 I71 I72 L73 I97 V127 I156 F160I6-I99 HydrophobicContact CD1-CD1 4.32Å; I71-I99 PolarHBondContact O-N 3.44Å; I72-I99 CarbonylContact C-O 2.9Å; I72-I99 WeakPolarHBondContact CA-O 3.26Å; I72-I99 HydrophobicContact CG1-CB 4.08Å; I72-I99 HydrophobicContact CG1-CD1 3.78Å; I72-I99 HydrophobicContact CG1-CG2 4.24Å; L73-I99 PolarHBondContact N-O 3.41Å; I97-I99 HydrophobicContact CG2-CG1 4.07Å; I99-V127 CarbonylContact C-O 3.51Å; I99-V127 VanDerWaalsContact CA-O 3.25Å; I99-V127 WeakPolarHBondContact CA-O 3.46Å; I99-V127 HydrophobicContact CG1-CB 4.24Å; I99-I156 HydrophobicContact CD1-CG2 3.96Å; I99-F160 HydrophobicContact CD1-CE2 4.14Å; I99-F160 HydrophobicContact CD1-CZ 4.3Å; I99-F160 HydrophobicContact CG2-CZ 3.95Å
100D96.4Very high85.6Confident0 Ų039.7 Ų39.70%024%0.237CC..EExtended strand (participates in β ladder)trans-87.1109.5167.7-177.97.6000108.8G102 S104 R115 F126 V127 S129 H184D100-G102 PolarHBondContact OD1-N 2.99Å; D100-S104 WeakPolarHBondContact OD2-CB 3.46Å; D100-S104 PolarHBondContact OD2-OG 3.06Å; D100-R115 IonicContact OD2-NH1 3.53Å; D100-R115 PolarHBondContact OD2-NH1 3.16Å; D100-F126 HydrophobicContact CB-CE2 4.11Å; D100-F126 HydrophobicContact CB-CZ 3.62Å; D100-V127 PolarHBondContact N-O 3.39Å; D100-S129 PolarHBondContact O-N 3.19Å; D100-H184 PolarHBondContact O-NE2 2.84Å; D100-H184 VanDerWaalsContact O-NE2 3.14Å; D100-H184 IonicContact OD2-CE1 2.71Å; D100-H184 PolarHBondContact OD2-CE1 3.07Å
101G94.2Very high84.1Confident5 Ų535.6 Ų35.65%0.05221%0.211CC..  trans-92.9-0.2176.600000113.5L73 L74 S129L73-G101 PolarHBondContact O-N 2.98Å; L74-G101 VanDerWaalsContact CD1-C 3.48Å; L74-G101 WeakPolarHBondContact CD1-O 3.4Å; G101-S129 CarbonylContact C-O 3.59Å; G101-S129 WeakPolarHBondContact CA-O 3.24Å
102G89.5Confident82.9Confident7 Ų733.2 Ų33.27%0.07220%0.198CC..SBendtrans-71.4172.3-177.600000113.1D100 S104 H184D100-G102 PolarHBondContact OD1-N 2.99Å; G102-S104 PolarHBondContact O-N 3.04Å; G102-H184 PolarHBondContact O-NE2 2.8Å
103N86.2Confident81.8Confident68 Ų6832.3 Ų32.336%0.36419%0.194SC..  trans-8362.2166.9-67.2-33.8000109.6A77 K187 T266A77-N103 WeakPolarHBondContact CB-O 3.4Å; N103-K187 PolarHBondContact OD1-NZ 3.42Å; N103-T266 HydrophobicContact CB-CG2 3.92Å
104S86.4Confident81Confident8 Ų833.3 Ų33.36%0.05619%0.194CC..  trans-79.7152.1-179.7-72.50000112D100 G102D100-S104 WeakPolarHBondContact OD2-CB 3.46Å; D100-S104 PolarHBondContact OD2-OG 3.06Å; G102-S104 PolarHBondContact O-N 3.04Å
105E80.9Confident80.3Confident50 Ų5029.8 Ų29.823%0.23416%0.164CC..  trans-72.7142176.7-169.6166.1-137.500110.9V111 T112 W269E105-V111 HydrophobicContact CB-CG2 4.42Å; E105-T112 PolarHBondContact O-OG1 3.31Å; E105-W269 HydrophobicContact CB-CH2 4.4Å; E105-W269 HydrophobicContact CB-CZ2 4.5Å
106Y75.1Confident79.7Confident2 Ų228.5 Ų28.51%0.00815%0.15CC..  trans-82.9-24.6-171.568.1-89.4000114.2F185 M188 S273 Y277 F352Y106-F185 AromaticContact CD1-CD2 3.63Å; Y106-F185 HydrophobicContact CD1-CD2 3.63Å; Y106-F185 HydrophobicContact CD1-CE2 4.24Å; Y106-F185 AromaticContact CD2-CD2 3.5Å; Y106-F185 HydrophobicContact CD2-CD2 3.5Å; Y106-F185 HydrophobicContact CD2-CE2 4.17Å; Y106-F185 AromaticContact CE1-CD2 3.67Å; Y106-F185 HydrophobicContact CE1-CD2 3.67Å; Y106-F185 AromaticContact CE1-CE2 3.8Å; Y106-F185 HydrophobicContact CE1-CE2 3.8Å; Y106-F185 AromaticContact CE2-CD2 3.52Å; Y106-F185 HydrophobicContact CE2-CD2 3.52Å; Y106-F185 AromaticContact CE2-CE2 3.69Å; Y106-F185 HydrophobicContact CE2-CE2 3.69Å; Y106-F185 HydrophobicContact CG-CB 4.23Å; Y106-F185 AromaticContact CG-CD2 3.56Å; Y106-F185 HydrophobicContact CG-CD2 3.56Å; Y106-F185 HydrophobicContact CG-CE2 4.43Å; Y106-F185 HydrophobicContact CG-CG 4.38Å; Y106-F185 AromaticContact CZ-CD2 3.61Å; Y106-F185 AromaticContact CZ-CE2 3.49Å; Y106-F185 VanDerWaalsContact CZ-CE2 3.49Å; Y106-M188 HydrophobicContact CD1-CE 4.09Å; Y106-M188 HydrophobicContact CD1-SD 3.72Å; Y106-M188 HydrophobicContact CE1-CE 3.67Å; Y106-M188 HydrophobicContact CE1-SD 3.46Å; Y106-M188 WeakPolarHBondContact CE1-SD 3.35Å; Y106-S273 WeakPolarHBondContact CE1-OG 3.15Å; Y106-S273 VanDerWaalsContact OH-CB 3.29Å; Y106-S273 WeakPolarHBondContact OH-CB 3.22Å; Y106-S273 PolarHBondContact OH-OG 3.47Å; Y106-Y277 WeakPolarHBondContact OH-CE2 3.43Å; Y106-Y277 PolarHBondContact OH-OH 3.11Å; Y106-F352 HydrophobicContact CD2-CE2 4.39Å; Y106-F352 HydrophobicContact CD2-CZ 4.34Å; Y106-F352 AromaticContact CE2-CE2 3.94Å; Y106-F352 HydrophobicContact CE2-CE2 3.94Å; Y106-F352 AromaticContact CE2-CZ 3.8Å; Y106-F352 HydrophobicContact CE2-CZ 3.8Å
107R68.9Low79.2Confident49 Ų4935.2 Ų35.219%0.18518%0.18CC..  trans-63.9154.6-160.6-71.8-173.2-179172.69.6117.3T109 V111 E276R107-T109 PolarHBondContact O-N 3.41Å; R107-V111 PolarHBondContact O-N 2.73Å; R107-E276 IonicContact CZ-OE1 2.83Å; R107-E276 IonicContact CZ-OE2 3.13Å; R107-E276 IonicContact NE-OE2 2.67Å; R107-E276 PolarHBondContact NE-OE2 3.14Å; R107-E276 VanDerWaalsContact NH1-CD 3.29Å; R107-E276 IonicContact NH1-OE1 3.09Å; R107-E276 PolarHBondContact NH1-OE1 3.17Å; R107-E276 IonicContact NH1-OE2 3.28Å; R107-E276 PolarHBondContact NH1-OE2 2.59Å; R107-E276 VanDerWaalsContact NH1-OE2 3.09Å; R107-E276 IonicContact NH2-OE1 3.49Å; R107-E276 PolarHBondContact NH2-OE1 2.96Å; R107-E276 IonicContact NH2-OE2 3.28Å; R107-E276 PolarHBondContact NH2-OE2 2.89Å
108D48.2Very low78.8Confident95 Ų9537 Ų3751%0.50819%0.192SC..THydrogen-bonded Turntrans-64-35.7-168.9-135.6-26.7000115.1Q113D108-Q113 PolarHBondContact OD1-OE1 3.12Å
109T39.5Very low78.6Confident125 Ų12537 Ų3777%0.76719%0.192SC*.THydrogen-bonded Turntrans-92.3-13.8-174.341.60000114.8R107R107-T109 PolarHBondContact O-N 3.41Å
110T52.5Low78.3Confident67 Ų6742.8 Ų42.841%0.41122%0.217SC..THydrogen-bonded Turntrans-127.7-38.3-167.2500000116.2R114T110-R114 VanDerWaalsContact O-CZ 3.29Å; T110-R114 PolarHBondContact O-NE 3.13Å; T110-R114 PolarHBondContact O-NH2 3.16Å
111V67.6Low78.1Confident15 Ų1549.8 Ų49.89%0.09125%0.25CC..SBendtrans-136-85.8-165.4-1680000115.3E105 R107 R115E105-V111 HydrophobicContact CB-CG2 4.42Å; R107-V111 PolarHBondContact O-N 2.73Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 VanDerWaalsContact O-CD 3.3Å; V111-R115 WeakPolarHBondContact O-CD 3.41Å; V111-R115 WeakPolarHBondContact O-CG 3.32Å; V111-R115 PolarHBondContact O-N 3.19Å
112T73Confident78.2Confident0 Ų055 Ų550%027%0.271CS..Hα-helixtrans-76.1-47.9-164.2-56.40000113E105 R115 C116 F126 H184E105-T112 PolarHBondContact O-OG1 3.31Å; T112-R115 PolarHBondContact O-N 2.83Å; T112-C116 PolarHBondContact O-N 2.81Å; T112-C116 PolarHBondContact O-SG 3.12Å; T112-F126 HydrophobicContact CG2-CE1 3.92Å; T112-H184 PolarHBondContact OG1-ND1 3.49Å
113Q72.9Confident78.6Confident4 Ų456.2 Ų56.22%0.01928%0.284CS..Hα-helixtrans-61.2-47.2174.3-87.9172.4-44.700112.2D108 R115 C116 K117 E180D108-Q113 PolarHBondContact OD1-OE1 3.12Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 2.72Å; Q113-C116 WeakPolarHBondContact O-CB 3.2Å; Q113-C116 PolarHBondContact O-N 3.25Å; Q113-C116 VanDerWaalsContact O-N 3.14Å; Q113-K117 PolarHBondContact O-N 3.26Å; Q113-E180 HydrophobicContact CG-CB 3.74Å; Q113-E180 HydrophobicContact CG-CG 4.44Å; Q113-E180 WeakPolarHBondContact CG-OE2 3.3Å; Q113-E180 PolarHBondContact NE2-OE2 3.11Å
114R81.6Confident79.1Confident97 Ų9753.2 Ų53.237%0.36627%0.268SS..Hα-helixtrans-54.3-44.9172.5-177-153.761.1163.1-7.9112.2D82 T110 K117 S118D82-R114 IonicContact OD1-CZ 2.66Å; D82-R114 IonicContact OD1-NH2 3.96Å; D82-R114 PolarHBondContact OD1-NH2 2.79Å; D82-R114 IonicContact OD2-CZ 2.71Å; D82-R114 IonicContact OD2-NH1 2.91Å; D82-R114 IonicContact OD2-NH2 3.73Å; D82-R114 PolarHBondContact OD2-NH2 2.88Å; T110-R114 VanDerWaalsContact O-CZ 3.29Å; T110-R114 PolarHBondContact O-NE 3.13Å; T110-R114 PolarHBondContact O-NH2 3.16Å; R114-K117 PolarHBondContact O-N 3.2Å; R114-S118 WeakPolarHBondContact O-CB 3.49Å; R114-S118 PolarHBondContact O-N 3.09Å; R114-S118 PolarHBondContact O-OG 3.35Å
115R83.8Confident79.7Confident3 Ų354 Ų541%0.01127%0.272CS..Hα-helixtrans-63.7-43.4177-76.6164.7-175.7166.44.6111.8V81 D82 I85 D100 V111 T112 Q113 S118 L119 F126V81-R115 VanDerWaalsContact CB-NH2 3.31Å; V81-R115 VanDerWaalsContact CG1-NH1 3.27Å; D82-R115 IonicContact OD1-CZ 2.78Å; D82-R115 IonicContact OD1-NE 2.88Å; D82-R115 PolarHBondContact OD1-NE 3.23Å; D82-R115 IonicContact OD1-NH2 3.74Å; D82-R115 PolarHBondContact OD1-NH2 3.16Å; D82-R115 IonicContact OD2-NH2 3.78Å; I85-R115 HydrophobicContact CD1-CG 3.83Å; D100-R115 IonicContact OD2-NH1 3.53Å; D100-R115 PolarHBondContact OD2-NH1 3.16Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 VanDerWaalsContact O-CD 3.3Å; V111-R115 WeakPolarHBondContact O-CD 3.41Å; V111-R115 WeakPolarHBondContact O-CG 3.32Å; V111-R115 PolarHBondContact O-N 3.19Å; T112-R115 PolarHBondContact O-N 2.83Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 2.72Å; R115-S118 PolarHBondContact O-OG 3.29Å; R115-L119 WeakPolarHBondContact O-CB 3.19Å; R115-L119 WeakPolarHBondContact O-CD1 3.35Å; R115-L119 VanDerWaalsContact O-CG 3.25Å; R115-L119 WeakPolarHBondContact O-CG 3.32Å; R115-L119 PolarHBondContact O-N 2.98Å; R115-F126 HydrophobicContact CB-CD1 4.24Å; R115-F126 HydrophobicContact CB-CD2 4.31Å; R115-F126 HydrophobicContact CB-CE1 4.04Å; R115-F126 HydrophobicContact CB-CE2 4.12Å; R115-F126 HydrophobicContact CB-CG 4.35Å; R115-F126 HydrophobicContact CB-CZ 3.97Å; R115-F126 HydrophobicContact CG-CZ 4.45Å
116C84.5Confident80.4Confident1 Ų151.6 Ų51.61%0.00726%0.261CS..Hα-helixtrans-55.1-55.9174-66.20000110.1T112 Q113 S118 L119 K120 F126 H149T112-C116 PolarHBondContact O-N 2.81Å; T112-C116 PolarHBondContact O-SG 3.12Å; Q113-C116 WeakPolarHBondContact O-CB 3.2Å; Q113-C116 PolarHBondContact O-N 3.25Å; Q113-C116 VanDerWaalsContact O-N 3.14Å; C116-S118 PolarHBondContact O-N 3.09Å; C116-L119 PolarHBondContact O-N 3.19Å; C116-K120 WeakPolarHBondContact O-CB 3.48Å; C116-K120 PolarHBondContact O-N 3.17Å; C116-F126 VanDerWaalsContact SG-CD1 3.51Å; C116-H149 PolarHBondContact O-CE1 3Å; C116-H149 PolarHBondContact O-NE2 2.86Å; C116-H149 VanDerWaalsContact O-NE2 3.14Å
117K87.8Confident81.5Confident143 Ų14351.5 Ų51.562%0.62226%0.26SS*.Hα-helixtrans-57.1-52.3-178.6-172.8178.2178.7179.10113Q113 R114 L119 K120 E121Q113-K117 PolarHBondContact O-N 3.26Å; R114-K117 PolarHBondContact O-N 3.2Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.01Å; K117-K120 PolarHBondContact O-N 3.48Å; K117-E121 PolarHBondContact O-N 3.41Å
118S89.8Confident82.7Confident38 Ų3849.2 Ų49.227%0.26625%0.251SS..Hα-helixtrans-69.3-30.1-174.770.70000113.6R114 R115 C116R114-S118 WeakPolarHBondContact O-CB 3.49Å; R114-S118 PolarHBondContact O-N 3.09Å; R114-S118 PolarHBondContact O-OG 3.35Å; R115-S118 PolarHBondContact O-OG 3.29Å; C116-S118 PolarHBondContact O-N 3.09Å
119L92.9Very high85Confident0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-77.8-35.6175.1-70.6170.9000111.4I85 V89 I98 R115 C116 K117 E121 K122 G123 L124 F126I85-L119 HydrophobicContact CG2-CD1 4.29Å; I85-L119 HydrophobicContact CG2-CD2 3.99Å; V89-L119 HydrophobicContact CG2-CD2 3.6Å; I98-L119 HydrophobicContact CD1-CD1 4.32Å; I98-L119 HydrophobicContact CD1-CD2 4.34Å; R115-L119 WeakPolarHBondContact O-CB 3.19Å; R115-L119 WeakPolarHBondContact O-CD1 3.35Å; R115-L119 VanDerWaalsContact O-CG 3.25Å; R115-L119 WeakPolarHBondContact O-CG 3.32Å; R115-L119 PolarHBondContact O-N 2.98Å; C116-L119 PolarHBondContact O-N 3.19Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.01Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.91Å; L119-K122 CarbonylContact O-C 3.58Å; L119-K122 WeakPolarHBondContact O-CA 3.42Å; L119-K122 PolarHBondContact O-N 3.45Å; L119-G123 PolarHBondContact O-N 3.38Å; L119-L124 CarbonylContact C-O 3.48Å; L119-L124 VanDerWaalsContact C-O 3.3Å; L119-L124 HydrophobicContact CB-CB 4.07Å; L119-L124 HydrophobicContact CD2-CB 4.19Å; L119-L124 HydrophobicContact CD2-CD1 3.78Å; L119-L124 PolarHBondContact O-N 2.9Å; L119-F126 HydrophobicContact CB-CB 4.44Å; L119-F126 HydrophobicContact CD1-CB 3.72Å; L119-F126 HydrophobicContact CD1-CD2 3.36Å; L119-F126 HydrophobicContact CD1-CE2 4.27Å; L119-F126 HydrophobicContact CD1-CG 3.81Å
120K92.3Very high87.6Confident122 Ų12238.8 Ų38.853%0.5319%0.191SC..Hα-helixtrans-60.5-41.6174.9-166.7167.6-175.7166.70112.2C116 K117 K122 G123C116-K120 WeakPolarHBondContact O-CB 3.48Å; C116-K120 PolarHBondContact O-N 3.17Å; K117-K120 PolarHBondContact O-N 3.48Å; K120-K122 PolarHBondContact O-N 2.92Å; K120-G123 PolarHBondContact O-N 3.11Å
121E93.8Very high89.7Confident146 Ų14636.1 Ų36.168%0.68218%0.175SC*.THydrogen-bonded Turntrans-59.6-24.2174.8-71.8170.9-173.900113K117 L119K117-E121 PolarHBondContact O-N 3.41Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.91Å
122K95.3Very high91.1Very high114 Ų11435.7 Ų35.750%0.49617%0.173SC..THydrogen-bonded Turntrans-96.76.1176.7-60.2175.3-173.9172.40113.1V89 L119 K120 L124V89-K122 HydrophobicContact CG1-CD 3.66Å; L119-K122 CarbonylContact O-C 3.58Å; L119-K122 WeakPolarHBondContact O-CA 3.42Å; L119-K122 PolarHBondContact O-N 3.45Å; K120-K122 PolarHBondContact O-N 2.92Å; K122-L124 VanDerWaalsContact C-N 3.26Å; K122-L124 HydrophobicContact CB-CD1 4.47Å; K122-L124 HydrophobicContact CB-CG 4.43Å; K122-L124 PolarHBondContact O-N 3.22Å
123G96.9Very high91.9Very high34 Ų3436.1 Ų36.135%0.35118%0.177SC..THydrogen-bonded Turntrans7313.5-176.400000114.5A94 G95 L119 K120A94-G123 CarbonylContact C-O 3.54Å; A94-G123 VanDerWaalsContact CA-O 3.29Å; A94-G123 WeakPolarHBondContact CA-O 3.46Å; G95-G123 PolarHBondContact N-O 3.29Å; L119-G123 PolarHBondContact O-N 3.38Å; K120-G123 PolarHBondContact O-N 3.11Å
124L98Very high92.7Very high5 Ų537.4 Ų37.43%0.02619%0.191CC..  trans-97.4145.3180-62.1175.8000111.1V89 L92 E93 D96 L119 K122V89-L124 HydrophobicContact CB-CD1 4.44Å; V89-L124 HydrophobicContact CG1-CD1 4.42Å; V89-L124 HydrophobicContact CG2-CD1 3.94Å; L92-L124 HydrophobicContact CB-CD1 4.37Å; L92-L124 HydrophobicContact CB-CD2 3.76Å; L92-L124 HydrophobicContact CD1-CD1 4.41Å; L92-L124 HydrophobicContact CD1-CD2 4.43Å; E93-L124 WeakPolarHBondContact O-CD2 3.46Å; D96-L124 HydrophobicContact CB-CD2 4.03Å; L119-L124 CarbonylContact C-O 3.48Å; L119-L124 VanDerWaalsContact C-O 3.3Å; L119-L124 HydrophobicContact CB-CB 4.07Å; L119-L124 HydrophobicContact CD2-CB 4.19Å; L119-L124 HydrophobicContact CD2-CD1 3.78Å; L119-L124 PolarHBondContact O-N 2.9Å; K122-L124 VanDerWaalsContact C-N 3.26Å; K122-L124 HydrophobicContact CB-CD1 4.47Å; K122-L124 HydrophobicContact CB-CG 4.43Å; K122-L124 PolarHBondContact O-N 3.22Å
125L97.9Very high93Very high24 Ų2438.5 Ų38.513%0.12620%0.2CC..EExtended strand (participates in β ladder)trans-96.3140.5177.9-57177.8000110.3D96 I97 I98 H149 E151 A152D96-L125 PolarHBondContact O-N 2.95Å; I97-L125 WeakPolarHBondContact CA-O 3.31Å; I97-L125 HydrophobicContact CG1-CB 4.11Å; I97-L125 HydrophobicContact CG1-CD1 4.21Å; I97-L125 HydrophobicContact CG2-CB 4.43Å; I98-L125 PolarHBondContact N-O 3.43Å; L125-H149 HydrophobicContact CB-CB 4.43Å; L125-H149 HydrophobicContact CD2-CB 3.96Å; L125-E151 HydrophobicContact CD1-CB 4.1Å; L125-E151 HydrophobicContact CD2-CB 4.07Å; L125-A152 HydrophobicContact CB-CB 4.11Å; L125-A152 HydrophobicContact CD1-CB 4.2Å
126F96.7Very high93.4Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-130.2137.1-178.5-174.7-93000110I85 I98 D100 T112 R115 C116 L119 H149I85-F126 HydrophobicContact CD1-CE2 3.97Å; I98-F126 HydrophobicContact CB-CD2 4.11Å; I98-F126 HydrophobicContact CG2-CD2 4.07Å; I98-F126 HydrophobicContact CG2-CE2 4.08Å; I98-F126 CarbonylContact O-C 3.56Å; I98-F126 VanDerWaalsContact O-CA 3.32Å; I98-F126 WeakPolarHBondContact O-CA 3.48Å; D100-F126 HydrophobicContact CB-CE2 4.11Å; D100-F126 HydrophobicContact CB-CZ 3.62Å; T112-F126 HydrophobicContact CG2-CE1 3.92Å; R115-F126 HydrophobicContact CB-CD1 4.24Å; R115-F126 HydrophobicContact CB-CD2 4.31Å; R115-F126 HydrophobicContact CB-CE1 4.04Å; R115-F126 HydrophobicContact CB-CE2 4.12Å; R115-F126 HydrophobicContact CB-CG 4.35Å; R115-F126 HydrophobicContact CB-CZ 3.97Å; R115-F126 HydrophobicContact CG-CZ 4.45Å; C116-F126 VanDerWaalsContact SG-CD1 3.51Å; L119-F126 HydrophobicContact CB-CB 4.44Å; L119-F126 HydrophobicContact CD1-CB 3.72Å; L119-F126 HydrophobicContact CD1-CD2 3.36Å; L119-F126 HydrophobicContact CD1-CE2 4.27Å; L119-F126 HydrophobicContact CD1-CG 3.81Å; F126-H149 PolarHBondContact N-ND1 2.79Å; F126-H149 PolarHBondContact O-N 2.91Å
127V97.2Very high93.7Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-130.2119.6175.9178.90000108.6I97 I98 I99 D100 P146 G147 A152 I156 W176I97-V127 HydrophobicContact CG2-CG2 4.37Å; I98-V127 PolarHBondContact O-N 3.06Å; I99-V127 CarbonylContact C-O 3.51Å; I99-V127 VanDerWaalsContact CA-O 3.25Å; I99-V127 WeakPolarHBondContact CA-O 3.46Å; I99-V127 HydrophobicContact CG1-CB 4.24Å; D100-V127 PolarHBondContact N-O 3.39Å; V127-P146 HydrophobicContact CG1-CB 3.74Å; V127-G147 CarbonylContact C-O 3.57Å; V127-G147 VanDerWaalsContact CA-O 3.3Å; V127-G147 WeakPolarHBondContact CA-O 3.46Å; V127-G147 WeakPolarHBondContact CG1-O 3.38Å; V127-A152 HydrophobicContact CG2-CB 3.5Å; V127-A152 VanDerWaalsContact CG2-CB 3.5Å; V127-I156 HydrophobicContact CB-CD1 4.46Å; V127-I156 HydrophobicContact CG1-CD1 4.08Å; V127-I156 HydrophobicContact CG2-CD1 4.07Å; V127-W176 HydrophobicContact CG1-CZ3 4.21Å; V127-W176 HydrophobicContact CG2-CH2 4.28Å; V127-W176 HydrophobicContact CG2-CZ3 4.23Å
128G95.4Very high94.1Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-88.5117.4164.200000109.2G147 H184G128-G147 PolarHBondContact N-O 2.84Å; G128-G147 PolarHBondContact O-N 3.1Å; G128-G147 VanDerWaalsContact O-O 3.07Å; G128-H184 WeakPolarHBondContact CA-CE1 3.37Å
129S96.3Very high94.5Very high1 Ų138.5 Ų38.51%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-124.7119.3-176.5-176.80000112.2D100 G101 V131 M145 F160 H184D100-S129 PolarHBondContact O-N 3.19Å; G101-S129 CarbonylContact C-O 3.59Å; G101-S129 WeakPolarHBondContact CA-O 3.24Å; S129-V131 PolarHBondContact O-N 3.01Å; S129-M145 WeakPolarHBondContact CA-O 3.29Å; S129-F160 WeakPolarHBondContact OG-CE1 3.42Å; S129-H184 PolarHBondContact N-NE2 2.79Å
130G94.6Very high94.6Very high0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-64.813216600000112.3L144 M145G130-L144 WeakPolarHBondContact O-CA 3.39Å; G130-M145 PolarHBondContact N-O 2.85Å; G130-M145 PolarHBondContact O-N 3.23Å
131V95.9Very high94.8Very high12 Ų1240.8 Ų40.87%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-117.2118.7170.1-174.20000110.1M14 L74 S129 P142 L144 K187M14-V131 HydrophobicContact CE-CG1 4.09Å; L74-V131 HydrophobicContact CD1-CG2 4.5Å; S129-V131 PolarHBondContact O-N 3.01Å; V131-P142 HydrophobicContact CG1-CB 4.05Å; V131-P142 HydrophobicContact CG1-CG 4.48Å; V131-L144 HydrophobicContact CB-CD2 4.18Å; V131-L144 HydrophobicContact CG1-CD2 3.93Å; V131-L144 HydrophobicContact CG2-CD2 3.72Å; V131-K187 PolarHBondContact O-NZ 2.9Å
132S96.6Very high95Very high6 Ų633.9 Ų33.94%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-126.2149.1-179.6-166.30000112P142 S143 H190 C369S132-P142 VanDerWaalsContact O-CA 3.31Å; S132-P142 WeakPolarHBondContact O-CA 3.28Å; S132-P142 VanDerWaalsContact O-CB 3.26Å; S132-P142 WeakPolarHBondContact O-CB 3.49Å; S132-S143 PolarHBondContact N-O 3.37Å; S132-S143 PolarHBondContact O-N 3.31Å; S132-H190 PolarHBondContact OG-CE1 3.27Å; S132-H190 PolarHBondContact OG-NE2 2.8Å; S132-H190 VanDerWaalsContact OG-NE2 3.14Å; S132-C369 WeakPolarHBondContact OG-CB 3.46Å
133G90.4Very high95.2Very high9 Ų928.4 Ų28.49%0.09315%0.152CC..SBendtrans137.5-5.8178.200000116.3G137 G368G133-G137 VanDerWaalsContact O-CA 3.32Å; G133-G137 WeakPolarHBondContact O-CA 3.23Å; G133-G137 PolarHBondContact O-N 3.38Å; G133-G137 VanDerWaalsContact O-N 3.07Å; G133-G368 WeakPolarHBondContact CA-O 3.43Å
134G88.5Confident95.3Very high31 Ų3127 Ų2732%0.3214%0.136SC..Hα-helixtrans67.1-162.5-175.600000112M14 A138M14-G134 VanDerWaalsContact SD-C 3.51Å; M14-G134 VanDerWaalsContact SD-O 3.34Å; G134-A138 WeakPolarHBondContact O-CB 3.24Å; G134-A138 PolarHBondContact O-N 3.06Å
135E89.7Confident95.3Very high119 Ų11926.7 Ų26.756%0.55614%0.135SC*.Hα-helixtrans-60.5-53.7-177.8173.6166.5-165.100112.3V13 A138 R139V13-E135 HydrophobicContact CG1-CB 3.76Å; V13-E135 HydrophobicContact CG1-CG 3.45Å; V13-E135 VanDerWaalsContact CG1-CG 3.45Å; V13-E135 WeakPolarHBondContact CG1-OE1 3.43Å; E135-A138 PolarHBondContact O-N 3.39Å; E135-R139 PolarHBondContact O-N 2.91Å
136E90.3Very high95.3Very high129 Ų12925.6 Ų25.660%0.60313%0.129SC*.Hα-helixtrans-65-42.5-179.2-173.2177.6-160.900111.9A138 R139 Y140E136-A138 PolarHBondContact O-N 3.03Å; E136-R139 WeakPolarHBondContact O-CB 3.47Å; E136-R139 PolarHBondContact O-N 3.27Å; E136-R139 VanDerWaalsContact O-N 3.14Å; E136-Y140 HydrophobicContact CG-CD2 3.81Å; E136-Y140 HydrophobicContact CG-CE2 4.06Å; E136-Y140 WeakPolarHBondContact O-CD2 3.39Å; E136-Y140 PolarHBondContact O-N 3.41Å; E136-Y140 VanDerWaalsContact O-N 3.12Å
137G92.6Very high95.2Very high11 Ų1125.6 Ų25.611%0.11313%0.129CC..Hα-helixtrans-61.5-44.1175.300000111.8G133 R139 Y140 G141 P142G133-G137 VanDerWaalsContact O-CA 3.32Å; G133-G137 WeakPolarHBondContact O-CA 3.23Å; G133-G137 PolarHBondContact O-N 3.38Å; G133-G137 VanDerWaalsContact O-N 3.07Å; G137-R139 PolarHBondContact O-N 3.48Å; G137-Y140 PolarHBondContact O-N 3.27Å; G137-G141 CarbonylContact O-C 3.59Å; G137-G141 WeakPolarHBondContact O-CA 3.46Å; G137-G141 PolarHBondContact O-N 3.1Å; G137-P142 WeakPolarHBondContact O-CD 3.29Å
138A95.1Very high95.1Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-57.8-35.7175.700000112.6M14 N17 N21 G134 E135 E136M14-A138 HydrophobicContact CE-CB 3.83Å; M14-A138 HydrophobicContact SD-CB 4.19Å; N17-A138 HydrophobicContact CB-CB 3.87Å; N21-A138 VanDerWaalsContact CB-O 3.31Å; N21-A138 WeakPolarHBondContact CB-O 3.24Å; N21-A138 PolarHBondContact ND2-O 3.31Å; G134-A138 WeakPolarHBondContact O-CB 3.24Å; G134-A138 PolarHBondContact O-N 3.06Å; E135-A138 PolarHBondContact O-N 3.39Å; E136-A138 PolarHBondContact O-N 3.03Å
139R97.4Very high95.1Very high46 Ų4626.3 Ų26.317%0.17413%0.133CC..Hα-helixtrans-74.6-39.3-176.1-177.158.3-171.990.9-5.3114.1N17 N21 D24 E135 E136 G137N17-R139 HydrophobicContact CB-CB 3.96Å; N17-R139 WeakPolarHBondContact OD1-CB 3.44Å; N17-R139 WeakPolarHBondContact OD1-CD 3.2Å; N21-R139 VanDerWaalsContact CB-O 3.27Å; N21-R139 WeakPolarHBondContact CB-O 3.47Å; D24-R139 IonicContact OD1-NH2 3.28Å; D24-R139 IonicContact OD2-CZ 2.82Å; D24-R139 IonicContact OD2-NH1 3.84Å; D24-R139 PolarHBondContact OD2-NH1 2.65Å; D24-R139 IonicContact OD2-NH2 3.82Å; D24-R139 PolarHBondContact OD2-NH2 3.08Å; E135-R139 PolarHBondContact O-N 2.91Å; E136-R139 WeakPolarHBondContact O-CB 3.47Å; E136-R139 PolarHBondContact O-N 3.27Å; E136-R139 VanDerWaalsContact O-N 3.14Å; G137-R139 PolarHBondContact O-N 3.48Å
140Y96.4Very high95.1Very high163 Ų16332.5 Ų32.564%0.63916%0.16SC*.Hα-helixtrans-118.2-14.9-169.1-57.9-61.2000114.5E136 G137E136-Y140 HydrophobicContact CG-CD2 3.81Å; E136-Y140 HydrophobicContact CG-CE2 4.06Å; E136-Y140 WeakPolarHBondContact O-CD2 3.39Å; E136-Y140 PolarHBondContact O-N 3.41Å; E136-Y140 VanDerWaalsContact O-N 3.12Å; G137-Y140 PolarHBondContact O-N 3.27Å
141G97.1Very high95.2Very high7 Ų737.4 Ų37.47%0.07218%0.182CC..  trans159.389.8-177.700000112.5G137 I163 A165 G368G137-G141 CarbonylContact O-C 3.59Å; G137-G141 WeakPolarHBondContact O-CA 3.46Å; G137-G141 PolarHBondContact O-N 3.1Å; G141-I163 WeakPolarHBondContact CA-O 3.32Å; G141-A165 WeakPolarHBondContact O-CB 3.29Å; G141-G368 WeakPolarHBondContact O-CA 3.37Å
142P97.9Very high95.3Very high0 Ų036.8 Ų36.80%018%0.179CC..  trans-80.7167174.331.3-32.1000110.4L18 N21 V131 S132 G137 L144 I163 A164 A165L18-P142 HydrophobicContact CD1-CG 3.88Å; N21-P142 WeakPolarHBondContact ND2-CD 3.15Å; V131-P142 HydrophobicContact CG1-CB 4.05Å; V131-P142 HydrophobicContact CG1-CG 4.48Å; S132-P142 VanDerWaalsContact O-CA 3.31Å; S132-P142 WeakPolarHBondContact O-CA 3.28Å; S132-P142 VanDerWaalsContact O-CB 3.26Å; S132-P142 WeakPolarHBondContact O-CB 3.49Å; G137-P142 WeakPolarHBondContact O-CD 3.29Å; P142-L144 HydrophobicContact CB-CD2 4.46Å; P142-L144 HydrophobicContact CG-CD1 4.49Å; P142-L144 HydrophobicContact CG-CD2 4.03Å; P142-L144 HydrophobicContact CG-CG 4.1Å; P142-I163 VanDerWaalsContact CD-O 3.23Å; P142-I163 WeakPolarHBondContact CD-O 3.2Å; P142-A164 CarbonylContact O-C 3.5Å; P142-A164 VanDerWaalsContact O-CA 3.29Å; P142-A164 WeakPolarHBondContact O-CA 3.48Å; P142-A165 PolarHBondContact O-N 2.98Å
143S98.4Very high95.4Very high0 Ų037.7 Ų37.70%018%0.182CC..EExtended strand (participates in β ladder)trans-84.2131.2157.6174.80000109S132 M145 M364S132-S143 PolarHBondContact N-O 3.37Å; S132-S143 PolarHBondContact O-N 3.31Å; S143-M145 VanDerWaalsContact OG-CE 3.23Å; S143-M145 WeakPolarHBondContact OG-CE 3.48Å; S143-M364 VanDerWaalsContact CB-O 3.29Å; S143-M364 WeakPolarHBondContact CB-O 3.3Å; S143-M364 PolarHBondContact OG-O 2.8Å
144L98.5Very high95.8Very high3 Ų341.6 Ų41.62%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-122.7126.7-178.4-64.1175.3000110.3G130 V131 P142 P146 F160 I163 A164 C173 C174G130-L144 WeakPolarHBondContact O-CA 3.39Å; V131-L144 HydrophobicContact CB-CD2 4.18Å; V131-L144 HydrophobicContact CG1-CD2 3.93Å; V131-L144 HydrophobicContact CG2-CD2 3.72Å; P142-L144 HydrophobicContact CB-CD2 4.46Å; P142-L144 HydrophobicContact CG-CD1 4.49Å; P142-L144 HydrophobicContact CG-CD2 4.03Å; P142-L144 HydrophobicContact CG-CG 4.1Å; L144-P146 VanDerWaalsContact C-CD 3.41Å; L144-P146 VanDerWaalsContact O-CD 3.27Å; L144-P146 WeakPolarHBondContact O-CD 3.41Å; L144-F160 HydrophobicContact CB-CD1 4.07Å; L144-F160 HydrophobicContact CD1-CB 4.09Å; L144-F160 HydrophobicContact CD1-CD1 3.87Å; L144-F160 HydrophobicContact CD1-CE1 4.41Å; L144-F160 HydrophobicContact CD1-CG 3.98Å; L144-F160 WeakPolarHBondContact CD1-O 3.41Å; L144-I163 HydrophobicContact CD1-CD1 3.95Å; L144-I163 HydrophobicContact CD1-CG1 3.77Å; L144-A164 HydrophobicContact CD1-CB 4.38Å; L144-C173 PolarHBondContact N-O 2.97Å; L144-C173 VanDerWaalsContact N-O 3.16Å; L144-C174 HydrophobicContact CB-CB 3.96Å; L144-C174 WeakPolarHBondContact O-CA 3.25Å; L144-C174 PolarHBondContact O-SG 2.88Å; L144-C174 VanDerWaalsContact O-SG 3.39Å
145M97.9Very high96.2Very high0 Ų044.1 Ų44.10%021%0.208CC..EExtended strand (participates in β ladder)trans-123.468.3-170.7-54.6167.2-155.900110.6S129 G130 S143 V177 G183 V186 K187 H190 M364 W365S129-M145 WeakPolarHBondContact CA-O 3.29Å; G130-M145 PolarHBondContact N-O 2.85Å; G130-M145 PolarHBondContact O-N 3.23Å; S143-M145 VanDerWaalsContact OG-CE 3.23Å; S143-M145 WeakPolarHBondContact OG-CE 3.48Å; M145-V177 HydrophobicContact CB-CG2 3.93Å; M145-G183 CarbonylContact O-C 3.57Å; M145-G183 WeakPolarHBondContact O-CA 3.38Å; M145-V186 HydrophobicContact CG-CG1 4.39Å; M145-V186 HydrophobicContact SD-CG1 3.83Å; M145-K187 HydrophobicContact CE-CD 4.21Å; M145-K187 HydrophobicContact SD-CB 3.98Å; M145-K187 HydrophobicContact SD-CD 4.13Å; M145-H190 HydrophobicContact CE-CB 4.43Å; M145-M364 HydrophobicContact CB-SD 4.46Å; M145-M364 HydrophobicContact CG-SD 4.26Å; M145-W365 VanDerWaalsContact CE-CD1 3.43Å; M145-W365 VanDerWaalsContact CE-NE1 3.35Å
146P97.6Very high96.6Very high0 Ų038.5 Ų38.50%018%0.182CC..EExtended strand (participates in β ladder)trans-74.1132.9-177.329.9-35.4000112.8V127 L144 W153 F160 D175 W176 V177V127-P146 HydrophobicContact CG1-CB 3.74Å; L144-P146 VanDerWaalsContact C-CD 3.41Å; L144-P146 VanDerWaalsContact O-CD 3.27Å; L144-P146 WeakPolarHBondContact O-CD 3.41Å; P146-W153 HydrophobicContact CB-CZ3 4.45Å; P146-W153 HydrophobicContact CG-CE3 4.18Å; P146-W153 HydrophobicContact CG-CH2 4.17Å; P146-W153 HydrophobicContact CG-CZ3 3.63Å; P146-F160 HydrophobicContact CB-CD1 4.22Å; P146-F160 HydrophobicContact CB-CE1 4.07Å; P146-F160 HydrophobicContact CG-CD1 4.07Å; P146-F160 HydrophobicContact CG-CE1 4.39Å; P146-D175 WeakPolarHBondContact CD-O 3.46Å; P146-D175 WeakPolarHBondContact CG-O 3.48Å; P146-W176 HydrophobicContact CB-CE3 4.19Å; P146-W176 HydrophobicContact CB-CZ3 4.19Å; P146-W176 HydrophobicContact CG-CE3 4.39Å; P146-V177 WeakPolarHBondContact O-CB 3.41Å; P146-V177 WeakPolarHBondContact O-CG2 3.48Å; P146-V177 PolarHBondContact O-N 2.84Å
147G95.6Very high97Very high0 Ų036 Ų360%017%0.169CC..EExtended strand (participates in β ladder)trans-143.8163.6165.200000111.3V127 G128 G178 E180V127-G147 CarbonylContact C-O 3.57Å; V127-G147 VanDerWaalsContact CA-O 3.3Å; V127-G147 WeakPolarHBondContact CA-O 3.46Å; V127-G147 WeakPolarHBondContact CG1-O 3.38Å; G128-G147 PolarHBondContact N-O 2.84Å; G128-G147 PolarHBondContact O-N 3.1Å; G128-G147 VanDerWaalsContact O-O 3.07Å; G147-G178 CarbonylContact C-O 3.58Å; G147-G178 WeakPolarHBondContact CA-O 3.45Å; G147-E180 CarbonylContact C-O 3.54Å
148G94.4Very high97.3Very high2 Ų240.8 Ų40.82%0.02119%0.192CC..EExtended strand (participates in β ladder)trans142.2-132.4-174.800000113.1K150 W176 G178 D179 E180G148-K150 PolarHBondContact O-N 2.9Å; G148-W176 WeakPolarHBondContact O-CZ2 3.39Å; G148-G178 PolarHBondContact N-O 3.09Å; G148-D179 WeakPolarHBondContact O-CA 3.45Å; G148-E180 VanDerWaalsContact CA-N 3.35Å; G148-E180 WeakPolarHBondContact CA-O 3.46Å; G148-E180 PolarHBondContact N-O 3.35Å; G148-E180 PolarHBondContact O-N 2.94Å
149H95.7Very high97.5Very high14 Ų1441.2 Ų41.27%0.06519%0.194CC..  trans-78111172.3-60.7147.4000110.6C116 L125 F126 E151 A152 W176C116-H149 PolarHBondContact O-CE1 3Å; C116-H149 PolarHBondContact O-NE2 2.86Å; C116-H149 VanDerWaalsContact O-NE2 3.14Å; L125-H149 HydrophobicContact CB-CB 4.43Å; L125-H149 HydrophobicContact CD2-CB 3.96Å; F126-H149 PolarHBondContact N-ND1 2.79Å; F126-H149 PolarHBondContact O-N 2.91Å; H149-E151 PolarHBondContact O-N 2.71Å; H149-E151 VanDerWaalsContact O-N 3.13Å; H149-A152 VanDerWaalsContact O-CB 3.27Å; H149-A152 WeakPolarHBondContact O-CB 3.07Å; H149-A152 PolarHBondContact O-N 3.16Å; H149-W176 WeakPolarHBondContact O-CH2 3.46Å
150K95.9Very high97.5Very high130 Ų13039.3 Ų39.357%0.56519%0.187SC*.G310 helixtrans-59.4-26.1-176.2-170.8169.4-177.1174.10113.5G148 A152 W153 W176G148-K150 PolarHBondContact O-N 2.9Å; K150-A152 PolarHBondContact O-N 3.43Å; K150-W153 WeakPolarHBondContact O-CB 3.36Å; K150-W153 PolarHBondContact O-N 3.27Å; K150-W176 VanDerWaalsContact CA-CZ2 3.42Å; K150-W176 HydrophobicContact CB-CZ2 3.98Å
151E97.4Very high97.6Very high103 Ų10333.4 Ų33.448%0.48117%0.165SC..G310 helixtrans-60.8-23.2174.5-55.990.8156.300112.7L125 H149 H155L125-E151 HydrophobicContact CD1-CB 4.1Å; L125-E151 HydrophobicContact CD2-CB 4.07Å; H149-E151 PolarHBondContact O-N 2.71Å; H149-E151 VanDerWaalsContact O-N 3.13Å; E151-H155 PolarHBondContact O-CD2 3.12Å
152A97.8Very high97.7Very high0 Ų035.2 Ų35.20%018%0.177CC..G310 helixtrans-74.5-26.4175.300000113I97 L125 V127 H149 K150 H155 I156I97-A152 HydrophobicContact CD1-CB 4.1Å; I97-A152 HydrophobicContact CG1-CB 4.43Å; I97-A152 HydrophobicContact CG2-CB 3.87Å; L125-A152 HydrophobicContact CB-CB 4.11Å; L125-A152 HydrophobicContact CD1-CB 4.2Å; V127-A152 HydrophobicContact CG2-CB 3.5Å; V127-A152 VanDerWaalsContact CG2-CB 3.5Å; H149-A152 VanDerWaalsContact O-CB 3.27Å; H149-A152 WeakPolarHBondContact O-CB 3.07Å; H149-A152 PolarHBondContact O-N 3.16Å; K150-A152 PolarHBondContact O-N 3.43Å; A152-H155 WeakPolarHBondContact O-CB 3.44Å; A152-H155 PolarHBondContact O-N 3.24Å; A152-I156 PolarHBondContact O-N 3.27Å
153W98.4Very high97.7Very high25 Ų2535.2 Ų35.210%0.09518%0.177CC..Hα-helixtrans-57.1-48.7-169.5179.9-132000113.5P146 K150 H155 I156 K157 F160 Q161 W176P146-W153 HydrophobicContact CB-CZ3 4.45Å; P146-W153 HydrophobicContact CG-CE3 4.18Å; P146-W153 HydrophobicContact CG-CH2 4.17Å; P146-W153 HydrophobicContact CG-CZ3 3.63Å; K150-W153 WeakPolarHBondContact O-CB 3.36Å; K150-W153 PolarHBondContact O-N 3.27Å; W153-H155 PolarHBondContact O-N 3.16Å; W153-H155 VanDerWaalsContact O-N 3.07Å; W153-I156 HydrophobicContact CE3-CD1 4.11Å; W153-I156 HydrophobicContact CE3-CG1 3.74Å; W153-I156 HydrophobicContact CZ3-CD1 4.47Å; W153-I156 HydrophobicContact CZ3-CG1 4.17Å; W153-I156 PolarHBondContact O-N 2.97Å; W153-I156 VanDerWaalsContact O-N 3.09Å; W153-K157 HydrophobicContact CD2-CB 4.02Å; W153-K157 HydrophobicContact CD2-CG 4.45Å; W153-K157 HydrophobicContact CE3-CB 4.17Å; W153-K157 HydrophobicContact CH2-CB 4.16Å; W153-K157 HydrophobicContact CH2-CG 4.03Å; W153-K157 HydrophobicContact CZ2-CB 4.02Å; W153-K157 HydrophobicContact CZ2-CD 4.05Å; W153-K157 HydrophobicContact CZ2-CG 3.63Å; W153-K157 HydrophobicContact CZ3-CB 4.22Å; W153-K157 VanDerWaalsContact O-CB 3.23Å; W153-K157 WeakPolarHBondContact O-CB 3.42Å; W153-K157 PolarHBondContact O-N 2.61Å; W153-F160 HydrophobicContact CZ3-CB 4.24Å; W153-Q161 HydrophobicContact CH2-CG 4.18Å; W153-Q161 HydrophobicContact CZ2-CG 4.48Å; W153-W176 HydrophobicContact CB-CD2 4.12Å; W153-W176 HydrophobicContact CB-CE3 3.7Å; W153-W176 HydrophobicContact CB-CZ3 4.08Å; W153-W176 HydrophobicContact CD2-CB 4.13Å; W153-W176 AromaticContact CD2-CE3 3.95Å; W153-W176 HydrophobicContact CD2-CE3 3.95Å; W153-W176 AromaticContact CE3-CE3 3.92Å; W153-W176 HydrophobicContact CE3-CE3 3.92Å; W153-W176 HydrophobicContact CG-CB 4.13Å; W153-W176 HydrophobicContact CG-CD2 4.24Å; W153-W176 AromaticContact CG-CE3 3.89Å; W153-W176 HydrophobicContact CG-CE3 3.89Å; W153-W176 HydrophobicContact CG-CG 4.37Å
154P98.5Very high97.7Very high90 Ų9035.4 Ų35.458%0.58418%0.179SC*.Hα-helixtrans-58.6-25.7178.5-2435.5000114
155H98.4Very high97.6Very high85 Ų8536 Ų3639%0.39418%0.184SC..Hα-helixtrans-84.7-20.4-178.8-60.1-64.1000113.7P68 R70 I97 E151 A152 W153P68-H155 HydrophobicContact CG-CB 4.41Å; R70-H155 VanDerWaalsContact CD-O 3.25Å; R70-H155 WeakPolarHBondContact CD-O 3.44Å; I97-H155 HydrophobicContact CD1-CB 3.42Å; I97-H155 VanDerWaalsContact CD1-CB 3.42Å; E151-H155 PolarHBondContact O-CD2 3.12Å; A152-H155 WeakPolarHBondContact O-CB 3.44Å; A152-H155 PolarHBondContact O-N 3.24Å; W153-H155 PolarHBondContact O-N 3.16Å; W153-H155 VanDerWaalsContact O-N 3.07Å
156I98.4Very high97.5Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-114.3-16.4-177.168.2171.6000112.9R70 I97 I99 V127 A152 W153 D158 I159 F160R70-I156 HydrophobicContact CG-CG2 4.2Å; I97-I156 HydrophobicContact CD1-CG2 4.18Å; I97-I156 HydrophobicContact CG2-CG2 4.45Å; I99-I156 HydrophobicContact CD1-CG2 3.96Å; V127-I156 HydrophobicContact CB-CD1 4.46Å; V127-I156 HydrophobicContact CG1-CD1 4.08Å; V127-I156 HydrophobicContact CG2-CD1 4.07Å; A152-I156 PolarHBondContact O-N 3.27Å; W153-I156 HydrophobicContact CE3-CD1 4.11Å; W153-I156 HydrophobicContact CE3-CG1 3.74Å; W153-I156 HydrophobicContact CZ3-CD1 4.47Å; W153-I156 HydrophobicContact CZ3-CG1 4.17Å; W153-I156 PolarHBondContact O-N 2.97Å; W153-I156 VanDerWaalsContact O-N 3.09Å; I156-D158 PolarHBondContact O-N 3.22Å; I156-I159 PolarHBondContact O-N 2.84Å; I156-F160 HydrophobicContact CB-CD2 4.18Å; I156-F160 HydrophobicContact CB-CE2 4.38Å; I156-F160 HydrophobicContact CD1-CE1 4.4Å; I156-F160 HydrophobicContact CD1-CE2 4.44Å; I156-F160 HydrophobicContact CD1-CZ 4.36Å; I156-F160 WeakPolarHBondContact O-CB 3.46Å; I156-F160 PolarHBondContact O-N 2.94Å
157K98.5Very high97.2Very high78 Ų7841.7 Ų41.734%0.33921%0.21SC..Hα-helixtrans-51.6-51-174.8179.1175.7-176.4-177.80112.6W153 I159 F160 Q161W153-K157 HydrophobicContact CD2-CB 4.02Å; W153-K157 HydrophobicContact CD2-CG 4.45Å; W153-K157 HydrophobicContact CE3-CB 4.17Å; W153-K157 HydrophobicContact CH2-CB 4.16Å; W153-K157 HydrophobicContact CH2-CG 4.03Å; W153-K157 HydrophobicContact CZ2-CB 4.02Å; W153-K157 HydrophobicContact CZ2-CD 4.05Å; W153-K157 HydrophobicContact CZ2-CG 3.63Å; W153-K157 HydrophobicContact CZ3-CB 4.22Å; W153-K157 VanDerWaalsContact O-CB 3.23Å; W153-K157 WeakPolarHBondContact O-CB 3.42Å; W153-K157 PolarHBondContact O-N 2.61Å; K157-I159 VanDerWaalsContact C-N 3.33Å; K157-I159 PolarHBondContact O-N 2.93Å; K157-F160 PolarHBondContact O-N 2.79Å; K157-Q161 HydrophobicContact CG-CG 4.2Å; K157-Q161 WeakPolarHBondContact O-CB 3.43Å; K157-Q161 WeakPolarHBondContact O-CG 3.3Å; K157-Q161 PolarHBondContact O-N 3.21Å
158D98.3Very high96.5Very high111 Ų11145.1 Ų45.159%0.59425%0.246SC*.Hα-helixtrans-63.9-40.2-175.6-67.6-12.1000111.7I156 S162I156-D158 PolarHBondContact O-N 3.22Å; D158-S162 WeakPolarHBondContact O-CB 3.41Å; D158-S162 PolarHBondContact O-N 2.92Å; D158-S162 VanDerWaalsContact O-N 3.07Å; D158-S162 PolarHBondContact O-OG 2.67Å
159I98.4Very high95.6Very high8 Ų851.4 Ų51.44%0.04128%0.284CS..Hα-helixtrans-64.4-53.7176-59.5174.3000109.5I6 M22 F27 I156 K157 S162 I163I6-I159 HydrophobicContact CB-CD1 4.13Å; I6-I159 HydrophobicContact CD1-CD1 4.02Å; I6-I159 HydrophobicContact CD1-CG2 4.39Å; I6-I159 HydrophobicContact CG2-CD1 4.44Å; M22-I159 HydrophobicContact CG-CG2 4.13Å; M22-I159 HydrophobicContact SD-CG2 3.94Å; F27-I159 HydrophobicContact CD1-CD1 4.49Å; F27-I159 HydrophobicContact CD1-CG1 3.85Å; F27-I159 HydrophobicContact CD2-CG1 4.49Å; F27-I159 HydrophobicContact CD2-CG2 4.3Å; F27-I159 HydrophobicContact CE1-CB 4.48Å; F27-I159 HydrophobicContact CE1-CG1 3.63Å; F27-I159 HydrophobicContact CE2-CB 4.35Å; F27-I159 HydrophobicContact CE2-CG1 4.31Å; F27-I159 HydrophobicContact CE2-CG2 4.34Å; F27-I159 HydrophobicContact CG-CG1 4.29Å; F27-I159 HydrophobicContact CZ-CB 4.25Å; F27-I159 HydrophobicContact CZ-CG1 3.88Å; I156-I159 PolarHBondContact O-N 2.84Å; K157-I159 VanDerWaalsContact C-N 3.33Å; K157-I159 PolarHBondContact O-N 2.93Å; I159-S162 PolarHBondContact O-N 3.09Å; I159-I163 WeakPolarHBondContact O-CG1 2.94Å; I159-I163 PolarHBondContact O-N 3.35Å; I159-I163 VanDerWaalsContact O-N 3.11Å
160F98.6Very high95.4Very high6 Ų652.7 Ų52.73%0.02630%0.301CS..Hα-helixtrans-63.4-47.5-174.1-89.7-130.8000112.2I72 I99 S129 L144 P146 W153 I156 K157 S162 A164I72-F160 HydrophobicContact CD1-CE2 4.34Å; I99-F160 HydrophobicContact CD1-CE2 4.14Å; I99-F160 HydrophobicContact CD1-CZ 4.3Å; I99-F160 HydrophobicContact CG2-CZ 3.95Å; S129-F160 WeakPolarHBondContact OG-CE1 3.42Å; L144-F160 HydrophobicContact CB-CD1 4.07Å; L144-F160 HydrophobicContact CD1-CB 4.09Å; L144-F160 HydrophobicContact CD1-CD1 3.87Å; L144-F160 HydrophobicContact CD1-CE1 4.41Å; L144-F160 HydrophobicContact CD1-CG 3.98Å; L144-F160 WeakPolarHBondContact CD1-O 3.41Å; P146-F160 HydrophobicContact CB-CD1 4.22Å; P146-F160 HydrophobicContact CB-CE1 4.07Å; P146-F160 HydrophobicContact CG-CD1 4.07Å; P146-F160 HydrophobicContact CG-CE1 4.39Å; W153-F160 HydrophobicContact CZ3-CB 4.24Å; I156-F160 HydrophobicContact CB-CD2 4.18Å; I156-F160 HydrophobicContact CB-CE2 4.38Å; I156-F160 HydrophobicContact CD1-CE1 4.4Å; I156-F160 HydrophobicContact CD1-CE2 4.44Å; I156-F160 HydrophobicContact CD1-CZ 4.36Å; I156-F160 WeakPolarHBondContact O-CB 3.46Å; I156-F160 PolarHBondContact O-N 2.94Å; K157-F160 PolarHBondContact O-N 2.79Å; F160-S162 VanDerWaalsContact C-N 3.35Å; F160-A164 VanDerWaalsContact O-CB 3.26Å; F160-A164 WeakPolarHBondContact O-CB 3.33Å; F160-A164 PolarHBondContact O-N 3.34Å; F160-A164 VanDerWaalsContact O-N 3.09Å
161Q98.6Very high95.3Very high39 Ų3950 Ų5018%0.18229%0.29CS..Hα-helixtrans-70.2-32.8179.7-69.3-165.4-37.400111.8W153 K157 K166 P172 C174W153-Q161 HydrophobicContact CH2-CG 4.18Å; W153-Q161 HydrophobicContact CZ2-CG 4.48Å; K157-Q161 HydrophobicContact CG-CG 4.2Å; K157-Q161 WeakPolarHBondContact O-CB 3.43Å; K157-Q161 WeakPolarHBondContact O-CG 3.3Å; K157-Q161 PolarHBondContact O-N 3.21Å; Q161-K166 WeakPolarHBondContact O-CE 3.27Å; Q161-K166 PolarHBondContact O-NZ 2.65Å; Q161-P172 HydrophobicContact CB-CB 3.98Å; Q161-P172 HydrophobicContact CB-CG 3.97Å; Q161-P172 HydrophobicContact CG-CB 4.09Å; Q161-P172 HydrophobicContact CG-CG 3.85Å; Q161-C174 HydrophobicContact CG-CB 4.4Å; Q161-C174 PolarHBondContact NE2-O 3.38Å
162S98.3Very high95.3Very high45 Ų4546.3 Ų46.332%0.31528%0.275SS..Hα-helixtrans-66.1-45.5177.5-63.80000112H25 D158 I159 F160H25-S162 PolarHBondContact CD2-O 2.83Å; H25-S162 VanDerWaalsContact CD2-O 3.29Å; H25-S162 PolarHBondContact NE2-O 3.34Å; D158-S162 WeakPolarHBondContact O-CB 3.41Å; D158-S162 PolarHBondContact O-N 2.92Å; D158-S162 VanDerWaalsContact O-N 3.07Å; D158-S162 PolarHBondContact O-OG 2.67Å; I159-S162 PolarHBondContact O-N 3.09Å; F160-S162 VanDerWaalsContact C-N 3.35Å
163I98.2Very high95.3Very high1 Ų146.3 Ų46.31%0.00528%0.275CS..Hα-helixtrans-81.5-18.4-176.170.6-177.2000113.8L18 N21 M22 H25 G141 P142 L144 I159L18-I163 HydrophobicContact CD1-CD1 3.86Å; L18-I163 HydrophobicContact CG-CD1 4.47Å; N21-I163 PolarHBondContact ND2-O 3.11Å; M22-I163 HydrophobicContact CB-CG2 4.28Å; M22-I163 HydrophobicContact CG-CD1 3.68Å; M22-I163 HydrophobicContact CG-CG2 3.72Å; M22-I163 HydrophobicContact SD-CD1 4.29Å; H25-I163 HydrophobicContact CB-CG2 4.18Å; G141-I163 WeakPolarHBondContact CA-O 3.32Å; P142-I163 VanDerWaalsContact CD-O 3.23Å; P142-I163 WeakPolarHBondContact CD-O 3.2Å; L144-I163 HydrophobicContact CD1-CD1 3.95Å; L144-I163 HydrophobicContact CD1-CG1 3.77Å; I159-I163 WeakPolarHBondContact O-CG1 2.94Å; I159-I163 PolarHBondContact O-N 3.35Å; I159-I163 VanDerWaalsContact O-N 3.11Å
164A98.3Very high95.3Very high4 Ų445.1 Ų45.13%0.03327%0.271CS..SBendtrans-67.1152.8-179.500000112P142 L144 F160 P172 C174P142-A164 CarbonylContact O-C 3.5Å; P142-A164 VanDerWaalsContact O-CA 3.29Å; P142-A164 WeakPolarHBondContact O-CA 3.48Å; L144-A164 HydrophobicContact CD1-CB 4.38Å; F160-A164 VanDerWaalsContact O-CB 3.26Å; F160-A164 WeakPolarHBondContact O-CB 3.33Å; F160-A164 PolarHBondContact O-N 3.34Å; F160-A164 VanDerWaalsContact O-N 3.09Å; A164-P172 HydrophobicContact CB-CB 4.44Å; A164-C174 HydrophobicContact CB-CB 3.68Å
165A97.5Very high95.3Very high14 Ų1443.8 Ų43.812%0.11626%0.259CS..  trans-52.7147.916900000110.9G141 P142 P172 C173 G368G141-A165 WeakPolarHBondContact O-CB 3.29Å; P142-A165 PolarHBondContact O-N 2.98Å; A165-P172 CarbonylContact O-C 3.5Å; A165-C173 HydrophobicContact CB-CB 4.14Å; A165-C173 WeakPolarHBondContact O-CB 3.23Å; A165-C173 PolarHBondContact O-N 3.08Å; A165-G368 VanDerWaalsContact CB-CA 3.42Å
166K95.8Very high95.2Very high100 Ų10041.2 Ų41.244%0.43525%0.246SC..EExtended strand (participates in β ladder)trans-111.9143.3174.4-53.1-54.8-164.1165.90110Q161 E171 P172Q161-K166 WeakPolarHBondContact O-CE 3.27Å; Q161-K166 PolarHBondContact O-NZ 2.65Å; K166-E171 WeakPolarHBondContact CA-O 3.45Å; K166-P172 HydrophobicContact CD-CB 4.14Å
167V90.4Very high95.1Very high21 Ų2141.4 Ų41.413%0.12725%0.247CC..EExtended strand (participates in β ladder)trans-128.8157176.4-69.70000110.3T169 G170 E171 L363 R366V167-T169 PolarHBondContact O-N 3.04Å; V167-G170 PolarHBondContact O-N 3.39Å; V167-G170 VanDerWaalsContact O-N 3.13Å; V167-E171 PolarHBondContact N-O 2.93Å; V167-E171 PolarHBondContact O-N 3.15Å; V167-E171 VanDerWaalsContact O-N 3.16Å; V167-L363 HydrophobicContact CG2-CD1 3.61Å; V167-R366 HydrophobicContact CB-CG 4.4Å; V167-R366 HydrophobicContact CG1-CB 4.25Å; V167-R366 HydrophobicContact CG1-CG 4.12Å; V167-R366 HydrophobicContact CG2-CB 4.37Å; V167-R366 HydrophobicContact CG2-CG 4.42Å
168G80.1Confident94.8Very high72 Ų7238 Ų3874%0.74223%0.233SC*.THydrogen-bonded Turntrans60.6-117.217500000113G170G168-G170 VanDerWaalsContact C-N 3.31Å
169T76.5Confident94.3Very high134 Ų13436.1 Ų36.182%0.82222%0.223SC*.THydrogen-bonded Turntrans-89.67.5-176.856.90000113.7V167 E171V167-T169 PolarHBondContact O-N 3.04Å; T169-E171 WeakPolarHBondContact CA-OE2 3.4Å; T169-E171 PolarHBondContact N-OE2 3.15Å; T169-E171 VanDerWaalsContact OG1-CD 3.29Å; T169-E171 PolarHBondContact OG1-OE2 2.87Å
170G90.8Very high93.9Very high41 Ų4139.2 Ų39.242%0.42324%0.238SC..THydrogen-bonded Turntrans117.410178.800000113.8V167 G168V167-G170 PolarHBondContact O-N 3.39Å; V167-G170 VanDerWaalsContact O-N 3.13Å; G168-G170 VanDerWaalsContact C-N 3.31Å
171E94.3Very high93.5Very high73 Ų7339 Ų3934%0.34124%0.236SC..EExtended strand (participates in β ladder)trans-62.9128.6177.3-62.6100.1124.800111.2K166 V167 T169 L363K166-E171 WeakPolarHBondContact CA-O 3.45Å; V167-E171 PolarHBondContact N-O 2.93Å; V167-E171 PolarHBondContact O-N 3.15Å; V167-E171 VanDerWaalsContact O-N 3.16Å; T169-E171 WeakPolarHBondContact CA-OE2 3.4Å; T169-E171 PolarHBondContact N-OE2 3.15Å; T169-E171 VanDerWaalsContact OG1-CD 3.29Å; T169-E171 PolarHBondContact OG1-OE2 2.87Å; E171-L363 HydrophobicContact CB-CD1 4.33Å; E171-L363 HydrophobicContact CB-CD2 4.43Å
172P97.5Very high93.3Very high25 Ų2537.1 Ų37.116%0.16223%0.228CC..EExtended strand (participates in β ladder)trans-67.5138174.623.7-28.5000111.8Q161 A164 A165 K166 C174Q161-P172 HydrophobicContact CB-CB 3.98Å; Q161-P172 HydrophobicContact CB-CG 3.97Å; Q161-P172 HydrophobicContact CG-CB 4.09Å; Q161-P172 HydrophobicContact CG-CG 3.85Å; A164-P172 HydrophobicContact CB-CB 4.44Å; A165-P172 CarbonylContact O-C 3.5Å; K166-P172 HydrophobicContact CD-CB 4.14Å; P172-C174 HydrophobicContact CB-CB 4.44Å; P172-C174 PolarHBondContact O-N 3.44Å
173C97.9Very high93.1Very high0 Ų035 Ų350%021%0.213CC..SBendtrans-73.848163.3-66.20000111.2L144 A165 G367L144-C173 PolarHBondContact N-O 2.97Å; L144-C173 VanDerWaalsContact N-O 3.16Å; A165-C173 HydrophobicContact CB-CB 4.14Å; A165-C173 WeakPolarHBondContact O-CB 3.23Å; A165-C173 PolarHBondContact O-N 3.08Å; C173-G367 VanDerWaalsContact SG-CA 3.51Å; C173-G367 PolarHBondContact SG-N 2.75Å; C173-G367 VanDerWaalsContact SG-N 3.35Å; C173-G367 PolarHBondContact SG-O 2.97Å; C173-G367 VanDerWaalsContact SG-O 3.39Å
174C98.3Very high93Very high1 Ų135.1 Ų35.11%0.00721%0.213CC..BIsolated β-bridgetrans-157.8123.6178.7-178.70000110.6L144 Q161 A164 P172L144-C174 HydrophobicContact CB-CB 3.96Å; L144-C174 WeakPolarHBondContact O-CA 3.25Å; L144-C174 PolarHBondContact O-SG 2.88Å; L144-C174 VanDerWaalsContact O-SG 3.39Å; Q161-C174 HydrophobicContact CG-CB 4.4Å; Q161-C174 PolarHBondContact NE2-O 3.38Å; A164-C174 HydrophobicContact CB-CB 3.68Å; P172-C174 HydrophobicContact CB-CB 4.44Å; P172-C174 PolarHBondContact O-N 3.44Å
175D97.6Very high92.9Very high61 Ų6134.9 Ų34.933%0.32621%0.212SC..  trans-148169.3167.5-155-2.3000110.4P146 V177 M364P146-D175 WeakPolarHBondContact CD-O 3.46Å; P146-D175 WeakPolarHBondContact CG-O 3.48Å; D175-V177 PolarHBondContact O-N 3.26Å; D175-M364 PolarHBondContact N-SD 2.74Å; D175-M364 VanDerWaalsContact N-SD 3.43Å
176W97.9Very high92.9Very high32 Ų3234.2 Ų34.212%0.12121%0.206CC..  trans-66.3117.6175.7-172.4-103.6000110.8V127 P146 G148 H149 K150 W153 G178V127-W176 HydrophobicContact CG1-CZ3 4.21Å; V127-W176 HydrophobicContact CG2-CH2 4.28Å; V127-W176 HydrophobicContact CG2-CZ3 4.23Å; P146-W176 HydrophobicContact CB-CE3 4.19Å; P146-W176 HydrophobicContact CB-CZ3 4.19Å; P146-W176 HydrophobicContact CG-CE3 4.39Å; G148-W176 WeakPolarHBondContact O-CZ2 3.39Å; H149-W176 WeakPolarHBondContact O-CH2 3.46Å; K150-W176 VanDerWaalsContact CA-CZ2 3.42Å; K150-W176 HydrophobicContact CB-CZ2 3.98Å; W153-W176 HydrophobicContact CB-CD2 4.12Å; W153-W176 HydrophobicContact CB-CE3 3.7Å; W153-W176 HydrophobicContact CB-CZ3 4.08Å; W153-W176 HydrophobicContact CD2-CB 4.13Å; W153-W176 AromaticContact CD2-CE3 3.95Å; W153-W176 HydrophobicContact CD2-CE3 3.95Å; W153-W176 AromaticContact CE3-CE3 3.92Å; W153-W176 HydrophobicContact CE3-CE3 3.92Å; W153-W176 HydrophobicContact CG-CB 4.13Å; W153-W176 HydrophobicContact CG-CD2 4.24Å; W153-W176 AromaticContact CG-CE3 3.89Å; W153-W176 HydrophobicContact CG-CE3 3.89Å; W153-W176 HydrophobicContact CG-CG 4.37Å; W176-G178 WeakPolarHBondContact CZ2-O 3.45Å; W176-G178 PolarHBondContact NE1-O 3.38Å
177V96.2Very high92.9Very high4 Ų430 Ų302%0.02419%0.188CC..  trans-76.4-45.2-175.3177.10000111.6M145 P146 D175 A182 V186 L356 M364M145-V177 HydrophobicContact CB-CG2 3.93Å; P146-V177 WeakPolarHBondContact O-CB 3.41Å; P146-V177 WeakPolarHBondContact O-CG2 3.48Å; P146-V177 PolarHBondContact O-N 2.84Å; D175-V177 PolarHBondContact O-N 3.26Å; V177-A182 HydrophobicContact CG1-CB 3.9Å; V177-V186 HydrophobicContact CG1-CB 4.14Å; V177-V186 HydrophobicContact CG1-CG2 3.46Å; V177-V186 VanDerWaalsContact CG1-CG2 3.46Å; V177-L356 HydrophobicContact CG1-CD2 4.15Å; V177-L356 WeakPolarHBondContact O-CD2 3.32Å; V177-M364 HydrophobicContact CG2-CE 3.65Å; V177-M364 HydrophobicContact CG2-SD 4.03Å
178G91.2Very high93.2Very high5 Ų529.3 Ų29.35%0.05218%0.183CC..EExtended strand (participates in β ladder)trans157.9-173.5-171.300000112.3G147 G148 W176G147-G178 CarbonylContact C-O 3.58Å; G147-G178 WeakPolarHBondContact CA-O 3.45Å; G148-G178 PolarHBondContact N-O 3.09Å; W176-G178 WeakPolarHBondContact CZ2-O 3.45Å; W176-G178 PolarHBondContact NE1-O 3.38Å
179D88.8Confident94Very high72 Ų7225.9 Ų25.939%0.38515%0.148SC..EExtended strand (participates in β ladder)trans-79160.3-174.8-57.4-41.4000112G148 G181 A182 W354G148-D179 WeakPolarHBondContact O-CA 3.45Å; D179-G181 PolarHBondContact O-N 2.87Å; D179-G181 VanDerWaalsContact O-N 3.16Å; D179-A182 WeakPolarHBondContact O-CB 3.28Å; D179-A182 PolarHBondContact O-N 3.24Å; D179-W354 PolarHBondContact O-NE1 2.86Å
180E88.1Confident95.1Very high74 Ų7419.5 Ų19.535%0.34611%0.109SC..THydrogen-bonded Turntrans49.8-114.6171.1-53-179.8157.100115.2Q113 G147 G148 A182Q113-E180 HydrophobicContact CG-CB 3.74Å; Q113-E180 HydrophobicContact CG-CG 4.44Å; Q113-E180 WeakPolarHBondContact CG-OE2 3.3Å; Q113-E180 PolarHBondContact NE2-OE2 3.11Å; G147-E180 CarbonylContact C-O 3.54Å; G148-E180 VanDerWaalsContact CA-N 3.35Å; G148-E180 WeakPolarHBondContact CA-O 3.46Å; G148-E180 PolarHBondContact N-O 3.35Å; G148-E180 PolarHBondContact O-N 2.94Å; E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 3.34Å
181G91.2Very high95.4Very high0 Ų018.1 Ų18.10%09%0.092CC..THydrogen-bonded Turntrans-82.1-0.9-17600000115.2D179 G183 H184 F185D179-G181 PolarHBondContact O-N 2.87Å; D179-G181 VanDerWaalsContact O-N 3.16Å; G181-G183 VanDerWaalsContact C-N 3.33Å; G181-G183 PolarHBondContact O-N 2.95Å; G181-H184 PolarHBondContact O-N 3.04Å; G181-F185 PolarHBondContact O-N 3.07Å
182A93.9Very high95.6Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-57.3-42.4-168.800000113.3V177 D179 E180 H184 F185 V186 W354 L356V177-A182 HydrophobicContact CG1-CB 3.9Å; D179-A182 WeakPolarHBondContact O-CB 3.28Å; D179-A182 PolarHBondContact O-N 3.24Å; E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 3.34Å; A182-H184 PolarHBondContact O-N 3.08Å; A182-F185 PolarHBondContact O-N 3.22Å; A182-V186 WeakPolarHBondContact O-CG2 3.36Å; A182-V186 PolarHBondContact O-N 3.28Å; A182-W354 HydrophobicContact CB-CD2 3.84Å; A182-W354 HydrophobicContact CB-CE3 3.88Å; A182-W354 HydrophobicContact CB-CG 4.33Å; A182-W354 HydrophobicContact CB-CZ2 4.49Å; A182-W354 HydrophobicContact CB-CZ3 4.24Å; A182-L356 HydrophobicContact CB-CD2 4.04Å
183G95.3Very high95.6Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-60.9-45.4179.100000113.7M145 G181 K187M145-G183 CarbonylContact O-C 3.57Å; M145-G183 WeakPolarHBondContact O-CA 3.38Å; G181-G183 VanDerWaalsContact C-N 3.33Å; G181-G183 PolarHBondContact O-N 2.95Å; G183-K187 PolarHBondContact O-N 3.24Å; G183-K187 VanDerWaalsContact O-N 3.1Å
184H95.5Very high95.6Very high4 Ų414.9 Ų14.92%0.0197%0.074CC..Hα-helixtrans-69.5-35.1174.6-73.4160.5000112.6D100 G102 T112 G128 S129 G181 A182 K187 M188D100-H184 PolarHBondContact O-NE2 2.84Å; D100-H184 VanDerWaalsContact O-NE2 3.14Å; D100-H184 IonicContact OD2-CE1 2.71Å; D100-H184 PolarHBondContact OD2-CE1 3.07Å; G102-H184 PolarHBondContact O-NE2 2.8Å; T112-H184 PolarHBondContact OG1-ND1 3.49Å; G128-H184 WeakPolarHBondContact CA-CE1 3.37Å; S129-H184 PolarHBondContact N-NE2 2.79Å; G181-H184 PolarHBondContact O-N 3.04Å; A182-H184 PolarHBondContact O-N 3.08Å; H184-K187 PolarHBondContact O-N 3.36Å; H184-M188 WeakPolarHBondContact O-CB 3.37Å; H184-M188 PolarHBondContact O-N 3.17Å
185F95.6Very high95.7Very high0 Ų015.3 Ų15.30%08%0.076CC..Hα-helixtrans-63.5-47.9175.5-168.9-85.1000111.4Y106 G181 A182 K187 M188 V189 Y277 L344 L345 A348 W354Y106-F185 AromaticContact CD1-CD2 3.63Å; Y106-F185 HydrophobicContact CD1-CD2 3.63Å; Y106-F185 HydrophobicContact CD1-CE2 4.24Å; Y106-F185 AromaticContact CD2-CD2 3.5Å; Y106-F185 HydrophobicContact CD2-CD2 3.5Å; Y106-F185 HydrophobicContact CD2-CE2 4.17Å; Y106-F185 AromaticContact CE1-CD2 3.67Å; Y106-F185 HydrophobicContact CE1-CD2 3.67Å; Y106-F185 AromaticContact CE1-CE2 3.8Å; Y106-F185 HydrophobicContact CE1-CE2 3.8Å; Y106-F185 AromaticContact CE2-CD2 3.52Å; Y106-F185 HydrophobicContact CE2-CD2 3.52Å; Y106-F185 AromaticContact CE2-CE2 3.69Å; Y106-F185 HydrophobicContact CE2-CE2 3.69Å; Y106-F185 HydrophobicContact CG-CB 4.23Å; Y106-F185 AromaticContact CG-CD2 3.56Å; Y106-F185 HydrophobicContact CG-CD2 3.56Å; Y106-F185 HydrophobicContact CG-CE2 4.43Å; Y106-F185 HydrophobicContact CG-CG 4.38Å; Y106-F185 AromaticContact CZ-CD2 3.61Å; Y106-F185 AromaticContact CZ-CE2 3.49Å; Y106-F185 VanDerWaalsContact CZ-CE2 3.49Å; G181-F185 PolarHBondContact O-N 3.07Å; A182-F185 PolarHBondContact O-N 3.22Å; F185-K187 VanDerWaalsContact C-N 3.27Å; F185-K187 PolarHBondContact O-N 3.11Å; F185-M188 HydrophobicContact CD2-CE 3.82Å; F185-M188 HydrophobicContact CE1-CE 4.39Å; F185-M188 HydrophobicContact CE2-CE 3.58Å; F185-M188 HydrophobicContact CG-CE 4.33Å; F185-M188 HydrophobicContact CZ-CE 3.87Å; F185-M188 WeakPolarHBondContact O-CB 3.22Å; F185-M188 PolarHBondContact O-N 3.29Å; F185-M188 VanDerWaalsContact O-N 3.11Å; F185-V189 HydrophobicContact CD1-CG2 3.88Å; F185-V189 HydrophobicContact CE1-CG2 3.52Å; F185-V189 HydrophobicContact CZ-CG2 4.21Å; F185-V189 WeakPolarHBondContact O-CG2 3.44Å; F185-V189 PolarHBondContact O-N 2.94Å; F185-Y277 HydrophobicContact CE2-CE2 4.29Å; F185-L344 HydrophobicContact CE1-CG 4.33Å; F185-L344 HydrophobicContact CZ-CD1 4.32Å; F185-L344 HydrophobicContact CZ-CD2 4.46Å; F185-L344 HydrophobicContact CZ-CG 4.06Å; F185-L345 HydrophobicContact CD1-CD2 3.85Å; F185-L345 HydrophobicContact CE1-CD2 3.98Å; F185-A348 HydrophobicContact CD1-CB 4.08Å; F185-A348 HydrophobicContact CE1-CB 3.42Å; F185-A348 VanDerWaalsContact CE1-CB 3.42Å; F185-A348 HydrophobicContact CE2-CB 3.94Å; F185-A348 HydrophobicContact CZ-CB 3.35Å; F185-W354 HydrophobicContact CB-CH2 3.93Å; F185-W354 HydrophobicContact CB-CZ3 3.71Å; F185-W354 HydrophobicContact CD1-CZ3 4.32Å; F185-W354 HydrophobicContact CD2-CH2 4.42Å; F185-W354 HydrophobicContact CD2-CZ3 4.27Å; F185-W354 HydrophobicContact CG-CH2 4.28Å; F185-W354 AromaticContact CG-CZ3 3.85Å; F185-W354 HydrophobicContact CG-CZ3 3.85Å
186V97Very high95.7Very high0 Ų012.4 Ų12.40%06%0.061CC..Hα-helixtrans-57.8-42.5175.3170.10000110.7M145 V177 A182 M188 V189 H190 L345 I361 W365M145-V186 HydrophobicContact CG-CG1 4.39Å; M145-V186 HydrophobicContact SD-CG1 3.83Å; V177-V186 HydrophobicContact CG1-CB 4.14Å; V177-V186 HydrophobicContact CG1-CG2 3.46Å; V177-V186 VanDerWaalsContact CG1-CG2 3.46Å; A182-V186 WeakPolarHBondContact O-CG2 3.36Å; A182-V186 PolarHBondContact O-N 3.28Å; V186-M188 PolarHBondContact O-N 2.66Å; V186-V189 PolarHBondContact O-N 2.91Å; V186-H190 WeakPolarHBondContact O-CB 3.4Å; V186-H190 PolarHBondContact O-N 2.88Å; V186-L345 HydrophobicContact CG2-CD2 3.86Å; V186-I361 HydrophobicContact CG1-CG1 4.24Å; V186-I361 HydrophobicContact CG1-CG2 3.84Å; V186-I361 HydrophobicContact CG2-CD1 3.75Å; V186-I361 HydrophobicContact CG2-CG1 4.17Å; V186-W365 HydrophobicContact CG1-CZ2 3.56Å; V186-W365 WeakPolarHBondContact O-CZ2 3.49Å
187K96.5Very high95.8Very high10 Ų1011.2 Ų11.24%0.0436%0.057CC..Hα-helixtrans-63.5-40175.717956.9-171.4-58.30113.6N103 V131 M145 G183 H184 F185 H190 N191N103-K187 PolarHBondContact OD1-NZ 3.42Å; V131-K187 PolarHBondContact O-NZ 2.9Å; M145-K187 HydrophobicContact CE-CD 4.21Å; M145-K187 HydrophobicContact SD-CB 3.98Å; M145-K187 HydrophobicContact SD-CD 4.13Å; G183-K187 PolarHBondContact O-N 3.24Å; G183-K187 VanDerWaalsContact O-N 3.1Å; H184-K187 PolarHBondContact O-N 3.36Å; F185-K187 VanDerWaalsContact C-N 3.27Å; F185-K187 PolarHBondContact O-N 3.11Å; K187-H190 WeakPolarHBondContact O-CB 3.44Å; K187-H190 PolarHBondContact O-N 3.06Å; K187-N191 PolarHBondContact O-N 3.49Å; K187-N191 VanDerWaalsContact O-N 3.08Å
188M96.3Very high95.9Very high7 Ų714.4 Ų14.43%0.0347%0.072CC..Hα-helixtrans-60.2-50.9175.7179.6-16368.900110Y106 H184 F185 V186 H190 N191 G192 W269 T270Y106-M188 HydrophobicContact CD1-CE 4.09Å; Y106-M188 HydrophobicContact CD1-SD 3.72Å; Y106-M188 HydrophobicContact CE1-CE 3.67Å; Y106-M188 HydrophobicContact CE1-SD 3.46Å; Y106-M188 WeakPolarHBondContact CE1-SD 3.35Å; H184-M188 WeakPolarHBondContact O-CB 3.37Å; H184-M188 PolarHBondContact O-N 3.17Å; F185-M188 HydrophobicContact CD2-CE 3.82Å; F185-M188 HydrophobicContact CE1-CE 4.39Å; F185-M188 HydrophobicContact CE2-CE 3.58Å; F185-M188 HydrophobicContact CG-CE 4.33Å; F185-M188 HydrophobicContact CZ-CE 3.87Å; F185-M188 WeakPolarHBondContact O-CB 3.22Å; F185-M188 PolarHBondContact O-N 3.29Å; F185-M188 VanDerWaalsContact O-N 3.11Å; V186-M188 PolarHBondContact O-N 2.66Å; M188-H190 VanDerWaalsContact C-N 3.33Å; M188-H190 PolarHBondContact O-N 3.17Å; M188-N191 PolarHBondContact O-N 3.3Å; M188-G192 PolarHBondContact O-N 3.02Å; M188-W269 HydrophobicContact CG-CB 3.91Å; M188-W269 VanDerWaalsContact SD-C 3.51Å; M188-W269 HydrophobicContact SD-CB 3.43Å; M188-W269 WeakPolarHBondContact SD-CB 3.48Å; M188-T270 WeakPolarHBondContact CG-OG1 3.37Å; M188-T270 PolarHBondContact O-OG1 2.99Å
189V98Very high96.3Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-60.3-41.6177.9178.30000111.5F185 V186 N191 G192 I193 L344 L345 W365F185-V189 HydrophobicContact CD1-CG2 3.88Å; F185-V189 HydrophobicContact CE1-CG2 3.52Å; F185-V189 HydrophobicContact CZ-CG2 4.21Å; F185-V189 WeakPolarHBondContact O-CG2 3.44Å; F185-V189 PolarHBondContact O-N 2.94Å; V186-V189 PolarHBondContact O-N 2.91Å; V189-N191 VanDerWaalsContact C-N 3.28Å; V189-N191 PolarHBondContact O-N 3.12Å; V189-G192 WeakPolarHBondContact O-CA 3.4Å; V189-G192 PolarHBondContact O-N 3.3Å; V189-I193 HydrophobicContact CG1-CD1 4.12Å; V189-I193 HydrophobicContact CG1-CG1 4.46Å; V189-I193 WeakPolarHBondContact O-CG1 3.49Å; V189-I193 PolarHBondContact O-N 3.33Å; V189-L344 HydrophobicContact CG2-CD2 3.97Å; V189-L344 HydrophobicContact CG2-CG 4.41Å; V189-L345 HydrophobicContact CB-CD2 4.17Å; V189-L345 HydrophobicContact CB-CG 4.49Å; V189-L345 HydrophobicContact CG1-CD2 4.41Å; V189-L345 HydrophobicContact CG1-CG 4.19Å; V189-L345 HydrophobicContact CG2-CD2 3.9Å; V189-L345 HydrophobicContact CG2-CG 4.37Å; V189-W365 HydrophobicContact CG1-CH2 4.21Å
190H98.3Very high96.7Very high0 Ų012.5 Ų12.50%06%0.059CC..Hα-helixtrans-51.7-47.4171.2159.3-69.3000111.4S132 M145 V186 K187 M188 G192 I193 E194 W365 C369S132-H190 PolarHBondContact OG-CE1 3.27Å; S132-H190 PolarHBondContact OG-NE2 2.8Å; S132-H190 VanDerWaalsContact OG-NE2 3.14Å; M145-H190 HydrophobicContact CE-CB 4.43Å; V186-H190 WeakPolarHBondContact O-CB 3.4Å; V186-H190 PolarHBondContact O-N 2.88Å; K187-H190 WeakPolarHBondContact O-CB 3.44Å; K187-H190 PolarHBondContact O-N 3.06Å; M188-H190 VanDerWaalsContact C-N 3.33Å; M188-H190 PolarHBondContact O-N 3.17Å; H190-G192 VanDerWaalsContact C-N 3.34Å; H190-I193 PolarHBondContact O-N 3.22Å; H190-E194 IonicContact CE1-OE2 2.96Å; H190-E194 PolarHBondContact CE1-OE2 3.02Å; H190-E194 VanDerWaalsContact CE1-OE2 3.3Å; H190-E194 IonicContact ND1-OE2 2.81Å; H190-E194 WeakPolarHBondContact O-CB 3.47Å; H190-E194 PolarHBondContact O-N 3.13Å; H190-W365 HydrophobicContact CB-CZ2 3.83Å; H190-W365 AromaticContact CD2-CD1 3.95Å; H190-C369 VanDerWaalsContact NE2-CB 3.3Å; H190-C369 WeakPolarHBondContact NE2-CB 3.41Å
191N97.4Very high97.3Very high12 Ų129.6 Ų9.66%0.0645%0.046CC..Hα-helixtrans-70.6-29.2178.7-72.5150.3000113K187 M188 V189 E194 Y195 T266K187-N191 PolarHBondContact O-N 3.49Å; K187-N191 VanDerWaalsContact O-N 3.08Å; M188-N191 PolarHBondContact O-N 3.3Å; V189-N191 VanDerWaalsContact C-N 3.28Å; V189-N191 PolarHBondContact O-N 3.12Å; N191-E194 PolarHBondContact ND2-OE2 3.1Å; N191-E194 WeakPolarHBondContact O-CB 2.87Å; N191-E194 PolarHBondContact O-N 3.5Å; N191-Y195 WeakPolarHBondContact O-CD1 3.47Å; N191-Y195 PolarHBondContact O-N 2.89Å; N191-Y195 VanDerWaalsContact O-N 3.09Å; N191-T266 WeakPolarHBondContact CB-OG1 3.39Å; N191-T266 PolarHBondContact OD1-OG1 3.41Å
192G98.3Very high97.6Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-61.3-48.816900000111.7M188 V189 H190 E194 Y195 G196 I284M188-G192 PolarHBondContact O-N 3.02Å; V189-G192 WeakPolarHBondContact O-CA 3.4Å; V189-G192 PolarHBondContact O-N 3.3Å; H190-G192 VanDerWaalsContact C-N 3.34Å; G192-E194 VanDerWaalsContact C-N 3.32Å; G192-E194 PolarHBondContact O-N 3.06Å; G192-Y195 WeakPolarHBondContact O-CB 3.23Å; G192-Y195 PolarHBondContact O-N 3.32Å; G192-Y195 VanDerWaalsContact O-N 3.14Å; G192-G196 PolarHBondContact O-N 3.29Å; G192-G196 VanDerWaalsContact O-N 3.12Å; G192-I284 VanDerWaalsContact C-CD1 3.42Å; G192-I284 WeakPolarHBondContact O-CG1 3.41Å
193I98.7Very high97.9Very high0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-61.1-42176.3-67.4171000110.8V189 H190 Y195 G196 D197 I284 Y338 W365 I371V189-I193 HydrophobicContact CG1-CD1 4.12Å; V189-I193 HydrophobicContact CG1-CG1 4.46Å; V189-I193 WeakPolarHBondContact O-CG1 3.49Å; V189-I193 PolarHBondContact O-N 3.33Å; H190-I193 PolarHBondContact O-N 3.22Å; I193-Y195 VanDerWaalsContact C-N 3.27Å; I193-Y195 PolarHBondContact O-N 3.22Å; I193-G196 WeakPolarHBondContact O-CA 3.49Å; I193-G196 PolarHBondContact O-N 2.8Å; I193-G196 VanDerWaalsContact O-N 3.07Å; I193-D197 PolarHBondContact O-N 3.46Å; I193-I284 HydrophobicContact CG1-CD1 4.03Å; I193-Y338 HydrophobicContact CD1-CD1 4.24Å; I193-Y338 HydrophobicContact CD1-CE1 4.48Å; I193-Y338 HydrophobicContact CG2-CD1 4.16Å; I193-Y338 HydrophobicContact CG2-CD2 3.92Å; I193-Y338 HydrophobicContact CG2-CE1 3.68Å; I193-Y338 HydrophobicContact CG2-CE2 3.42Å; I193-Y338 VanDerWaalsContact CG2-CE2 3.42Å; I193-Y338 HydrophobicContact CG2-CG 4.29Å; I193-W365 HydrophobicContact CD1-CH2 3.98Å; I193-W365 HydrophobicContact CD1-CZ3 3.68Å; I193-I371 HydrophobicContact CB-CD1 4.33Å; I193-I371 HydrophobicContact CG2-CD1 3.95Å; I193-I371 HydrophobicContact CG2-CG2 4.39Å
194E98.6Very high98Very high30 Ų3012.9 Ų12.914%0.147%0.068CC..Hα-helixtrans-55.1-42.3174.1-173.9-169.9122.200111.9H190 N191 G192 M198 I370 I371H190-E194 IonicContact CE1-OE2 2.96Å; H190-E194 PolarHBondContact CE1-OE2 3.02Å; H190-E194 VanDerWaalsContact CE1-OE2 3.3Å; H190-E194 IonicContact ND1-OE2 2.81Å; H190-E194 WeakPolarHBondContact O-CB 3.47Å; H190-E194 PolarHBondContact O-N 3.13Å; N191-E194 PolarHBondContact ND2-OE2 3.1Å; N191-E194 WeakPolarHBondContact O-CB 2.87Å; N191-E194 PolarHBondContact O-N 3.5Å; G192-E194 VanDerWaalsContact C-N 3.32Å; G192-E194 PolarHBondContact O-N 3.06Å; E194-M198 HydrophobicContact CG-SD 4.22Å; E194-M198 WeakPolarHBondContact O-CB 3.39Å; E194-M198 WeakPolarHBondContact O-CG 3.35Å; E194-M198 PolarHBondContact O-N 3.12Å; E194-I370 HydrophobicContact CG-CB 4.23Å; E194-I370 HydrophobicContact CG-CG2 3.84Å; E194-I371 HydrophobicContact CB-CG2 3.63Å; E194-I371 HydrophobicContact CG-CG2 4.16Å
195Y98.7Very high98.2Very high11 Ų1115.1 Ų15.14%0.0438%0.077CC..Hα-helixtrans-65-41.5176.8-81.936.4000111.5N191 G192 I193 Q199 Q263 V288 R291N191-Y195 WeakPolarHBondContact O-CD1 3.47Å; N191-Y195 PolarHBondContact O-N 2.89Å; N191-Y195 VanDerWaalsContact O-N 3.09Å; G192-Y195 WeakPolarHBondContact O-CB 3.23Å; G192-Y195 PolarHBondContact O-N 3.32Å; G192-Y195 VanDerWaalsContact O-N 3.14Å; I193-Y195 VanDerWaalsContact C-N 3.27Å; I193-Y195 PolarHBondContact O-N 3.22Å; Y195-Q199 WeakPolarHBondContact O-CB 3.26Å; Y195-Q199 PolarHBondContact O-N 2.93Å; Y195-Q263 HydrophobicContact CE2-CB 4.06Å; Y195-Q263 VanDerWaalsContact OH-CB 3.26Å; Y195-Q263 WeakPolarHBondContact OH-CB 3.41Å; Y195-V288 HydrophobicContact CD2-CG2 4.09Å; Y195-R291 VanDerWaalsContact CD2-NE 3.27Å; Y195-R291 VanDerWaalsContact CE2-CZ 3.43Å; Y195-R291 VanDerWaalsContact CG-NH2 3.33Å; Y195-R291 VanDerWaalsContact CZ-CZ 3.45Å
196G98.8Very high98.4Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-59.8-53174.700000112.2G192 I193 M198 Q199 L200G192-G196 PolarHBondContact O-N 3.29Å; G192-G196 VanDerWaalsContact O-N 3.12Å; I193-G196 WeakPolarHBondContact O-CA 3.49Å; I193-G196 PolarHBondContact O-N 2.8Å; I193-G196 VanDerWaalsContact O-N 3.07Å; G196-M198 PolarHBondContact O-N 3Å; G196-Q199 PolarHBondContact O-N 2.95Å; G196-Q199 VanDerWaalsContact O-N 3.16Å; G196-L200 VanDerWaalsContact O-CG 3.27Å; G196-L200 WeakPolarHBondContact O-CG 3.34Å; G196-L200 PolarHBondContact O-N 3.27Å
197D98.8Very high98.4Very high7 Ų717.7 Ų17.74%0.0379%0.089CC..Hα-helixtrans-57.9-46.2179.9-81.7-11.1000111.7I193 Q199 L200 I201 L235 K334 Y338I193-D197 PolarHBondContact O-N 3.46Å; D197-Q199 PolarHBondContact O-N 3.16Å; D197-L200 PolarHBondContact O-N 3.06Å; D197-I201 WeakPolarHBondContact O-CD1 3.47Å; D197-I201 VanDerWaalsContact O-CG1 3.28Å; D197-I201 WeakPolarHBondContact O-CG1 3.44Å; D197-I201 PolarHBondContact O-N 3.17Å; D197-I201 VanDerWaalsContact O-N 3.08Å; D197-L235 HydrophobicContact CB-CD1 3.63Å; D197-K334 WeakPolarHBondContact OD1-CG 3.5Å; D197-K334 IonicContact OD2-NZ 2.73Å; D197-Y338 WeakPolarHBondContact OD1-CE2 3.48Å; D197-Y338 WeakPolarHBondContact OD2-CE2 3.34Å; D197-Y338 PolarHBondContact OD2-OH 3.02Å
198M98.9Very high98.5Very high71 Ų7117.2 Ų17.235%0.359%0.087SC..Hα-helixtrans-60.6-44.4176.8-70.2172.470.100112.1E194 G196 I201 C202 L235 R291E194-M198 HydrophobicContact CG-SD 4.22Å; E194-M198 WeakPolarHBondContact O-CB 3.39Å; E194-M198 WeakPolarHBondContact O-CG 3.35Å; E194-M198 PolarHBondContact O-N 3.12Å; G196-M198 PolarHBondContact O-N 3Å; M198-I201 PolarHBondContact O-N 2.95Å; M198-C202 PolarHBondContact O-N 3.14Å; M198-C202 PolarHBondContact O-SG 3.18Å; M198-L235 HydrophobicContact CG-CD1 4.23Å; M198-L235 HydrophobicContact CG-CD2 4.3Å; M198-R291 PolarHBondContact SD-NH2 3.42Å; M198-R291 VanDerWaalsContact SD-NH2 3.42Å
199Q98.9Very high98.6Very high36 Ų3620.5 Ų20.517%0.16810%0.101CC..Hα-helixtrans-68.3-39.5-178.1-178.45742.500111.7Y195 G196 D197 I201 C202 E203 A287 A290 C425Y195-Q199 WeakPolarHBondContact O-CB 3.26Å; Y195-Q199 PolarHBondContact O-N 2.93Å; G196-Q199 PolarHBondContact O-N 2.95Å; G196-Q199 VanDerWaalsContact O-N 3.16Å; D197-Q199 PolarHBondContact O-N 3.16Å; Q199-I201 VanDerWaalsContact C-N 3.33Å; Q199-I201 PolarHBondContact O-N 2.91Å; Q199-C202 WeakPolarHBondContact O-CB 3.45Å; Q199-C202 PolarHBondContact O-N 3.48Å; Q199-E203 PolarHBondContact NE2-OE1 3.41Å; Q199-E203 WeakPolarHBondContact O-CG 3.31Å; Q199-E203 PolarHBondContact O-N 3.3Å; Q199-A287 HydrophobicContact CB-CB 3.9Å; Q199-A287 HydrophobicContact CG-CB 4.32Å; Q199-A290 HydrophobicContact CG-CB 4.2Å; Q199-C425 HydrophobicContact CG-CB 4.16Å; Q199-C425 WeakPolarHBondContact CG-SG 3.48Å
200L98.9Very high98.6Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-61-41.2174.2-69.4172.4000112.2G196 D197 E203 A204 L283 L330 S333 K334 C425 F426G196-L200 VanDerWaalsContact O-CG 3.27Å; G196-L200 WeakPolarHBondContact O-CG 3.34Å; G196-L200 PolarHBondContact O-N 3.27Å; D197-L200 PolarHBondContact O-N 3.06Å; L200-E203 PolarHBondContact O-N 3.27Å; L200-A204 PolarHBondContact O-N 3.14Å; L200-L283 HydrophobicContact CD1-CD1 4.23Å; L200-L283 HydrophobicContact CD1-CD2 4.27Å; L200-L283 HydrophobicContact CD2-CD1 4.33Å; L200-L283 HydrophobicContact CG-CD2 4.32Å; L200-L330 HydrophobicContact CB-CD1 3.49Å; L200-L330 VanDerWaalsContact CB-CD1 3.49Å; L200-S333 VanDerWaalsContact CD2-CB 3.45Å; L200-K334 HydrophobicContact CD1-CB 4.27Å; L200-C425 HydrophobicContact CD2-CB 3.47Å; L200-C425 VanDerWaalsContact CD2-CB 3.47Å; L200-C425 HydrophobicContact CG-CB 4.04Å; L200-F426 HydrophobicContact CB-CE1 4.2Å; L200-F426 HydrophobicContact CD2-CD1 3.37Å; L200-F426 HydrophobicContact CD2-CE1 3.52Å; L200-F426 HydrophobicContact CG-CE1 4.48Å
201I98.9Very high98.5Very high14 Ų1424.6 Ų24.67%0.07212%0.123CC..Hα-helixtrans-64.4-41.5175.2-69.2166.9000111D197 M198 Q199 E203 A204 Y205 F223 L235 I236 T239 L330D197-I201 WeakPolarHBondContact O-CD1 3.47Å; D197-I201 VanDerWaalsContact O-CG1 3.28Å; D197-I201 WeakPolarHBondContact O-CG1 3.44Å; D197-I201 PolarHBondContact O-N 3.17Å; D197-I201 VanDerWaalsContact O-N 3.08Å; M198-I201 PolarHBondContact O-N 2.95Å; Q199-I201 VanDerWaalsContact C-N 3.33Å; Q199-I201 PolarHBondContact O-N 2.91Å; I201-E203 VanDerWaalsContact C-N 3.31Å; I201-E203 PolarHBondContact O-N 3.24Å; I201-A204 PolarHBondContact O-N 3.49Å; I201-Y205 WeakPolarHBondContact O-CB 3.48Å; I201-Y205 PolarHBondContact O-N 3.25Å; I201-F223 HydrophobicContact CG2-CE1 3.82Å; I201-F223 HydrophobicContact CG2-CZ 3.85Å; I201-L235 HydrophobicContact CD1-CB 3.67Å; I201-I236 HydrophobicContact CD1-CD1 3.81Å; I201-I236 HydrophobicContact CD1-CG1 4.32Å; I201-I236 HydrophobicContact CG1-CD1 3.8Å; I201-T239 HydrophobicContact CG2-CG2 3.77Å; I201-T239 WeakPolarHBondContact CG2-OG1 3.48Å; I201-L330 HydrophobicContact CG1-CD1 4.39Å
202C98.9Very high98.5Very high67 Ų6724.2 Ų24.245%0.45312%0.121SC..Hα-helixtrans-60.7-38.8174.5-70.80000112.5M198 Q199 Y205 H206M198-C202 PolarHBondContact O-N 3.14Å; M198-C202 PolarHBondContact O-SG 3.18Å; Q199-C202 WeakPolarHBondContact O-CB 3.45Å; Q199-C202 PolarHBondContact O-N 3.48Å; C202-Y205 WeakPolarHBondContact O-CB 3.5Å; C202-Y205 PolarHBondContact O-N 3.01Å; C202-H206 WeakPolarHBondContact O-CB 3.3Å; C202-H206 PolarHBondContact O-N 2.76Å
203E98.9Very high98.4Very high2 Ų226.8 Ų26.81%0.00915%0.148CC..Hα-helixtrans-67.6-42.4177-73.1174-151.700111.9Q199 L200 I201 Y205 H206 L207 M423 P424 C425 F426Q199-E203 PolarHBondContact NE2-OE1 3.41Å; Q199-E203 WeakPolarHBondContact O-CG 3.31Å; Q199-E203 PolarHBondContact O-N 3.3Å; L200-E203 PolarHBondContact O-N 3.27Å; I201-E203 VanDerWaalsContact C-N 3.31Å; I201-E203 PolarHBondContact O-N 3.24Å; E203-Y205 VanDerWaalsContact C-N 3.35Å; E203-Y205 PolarHBondContact O-N 2.99Å; E203-H206 PolarHBondContact O-N 3.43Å; E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 2.94Å; E203-M423 VanDerWaalsContact CD-CA 3.47Å; E203-M423 WeakPolarHBondContact OE2-CA 3.47Å; E203-M423 WeakPolarHBondContact OE2-CB 3.42Å; E203-P424 WeakPolarHBondContact OE1-CD 3.48Å; E203-P424 WeakPolarHBondContact OE1-CG 3.43Å; E203-C425 VanDerWaalsContact OE1-CB 3.29Å; E203-C425 WeakPolarHBondContact OE1-CB 3.48Å; E203-C425 PolarHBondContact OE1-N 3.49Å; E203-C425 PolarHBondContact OE2-N 2.81Å; E203-F426 HydrophobicContact CB-CD2 4.16Å; E203-F426 HydrophobicContact CB-CE2 3.93Å; E203-F426 HydrophobicContact CB-CZ 4.15Å; E203-F426 WeakPolarHBondContact OE2-CG 3.34Å; E203-F426 PolarHBondContact OE2-N 3.18Å
204A98.9Very high98.4Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-58.8-46.3172.200000111.6L200 I201 H206 L207 M208 W226 I326 L330 F426L200-A204 PolarHBondContact O-N 3.14Å; I201-A204 PolarHBondContact O-N 3.49Å; A204-H206 PolarHBondContact O-N 2.97Å; A204-L207 PolarHBondContact O-N 3.43Å; A204-M208 WeakPolarHBondContact O-CG 3.49Å; A204-M208 PolarHBondContact O-N 3.03Å; A204-W226 HydrophobicContact CB-CH2 4.24Å; A204-W226 HydrophobicContact CB-CZ3 4.04Å; A204-I326 HydrophobicContact CB-CG2 3.61Å; A204-L330 HydrophobicContact CB-CD2 4.24Å; A204-F426 HydrophobicContact CB-CZ 4.29Å
205Y98.9Very high98.4Very high51 Ų5130.5 Ų30.520%0.217%0.168CC..Hα-helixtrans-56.8-46.2173.8159.4-98.6000112.1I201 C202 E203 L207 M208 K209 M219 L243 L254I201-Y205 WeakPolarHBondContact O-CB 3.48Å; I201-Y205 PolarHBondContact O-N 3.25Å; C202-Y205 WeakPolarHBondContact O-CB 3.5Å; C202-Y205 PolarHBondContact O-N 3.01Å; E203-Y205 VanDerWaalsContact C-N 3.35Å; E203-Y205 PolarHBondContact O-N 2.99Å; Y205-L207 VanDerWaalsContact C-N 3.34Å; Y205-L207 PolarHBondContact O-N 3.36Å; Y205-M208 PolarHBondContact O-N 3.1Å; Y205-K209 HydrophobicContact CE1-CD 4.31Å; Y205-K209 HydrophobicContact CE2-CD 4.41Å; Y205-K209 WeakPolarHBondContact O-CB 3.3Å; Y205-K209 PolarHBondContact O-N 3.24Å; Y205-K209 WeakPolarHBondContact OH-CD 3.31Å; Y205-M219 HydrophobicContact CD2-CE 3.96Å; Y205-M219 HydrophobicContact CD2-SD 3.52Å; Y205-M219 VanDerWaalsContact CD2-SD 3.52Å; Y205-M219 HydrophobicContact CE2-CE 3.57Å; Y205-M219 HydrophobicContact CE2-SD 3.78Å; Y205-L243 HydrophobicContact CD2-CD2 4Å; Y205-L243 HydrophobicContact CE2-CD2 3.91Å; Y205-L254 HydrophobicContact CE2-CD2 4.06Å
206H98.8Very high98.4Very high53 Ų5331.2 Ų31.225%0.24517%0.172CC..Hα-helixtrans-64.1-40.1-177.5-160.9178.9000112C202 E203 A204 K209 D210 I421C202-H206 WeakPolarHBondContact O-CB 3.3Å; C202-H206 PolarHBondContact O-N 2.76Å; E203-H206 PolarHBondContact O-N 3.43Å; A204-H206 PolarHBondContact O-N 2.97Å; H206-K209 PolarHBondContact O-N 3.47Å; H206-D210 IonicContact CD2-OD2 3.86Å; H206-D210 PolarHBondContact CD2-OD2 2.74Å; H206-D210 VanDerWaalsContact CD2-OD2 3.28Å; H206-D210 IonicContact NE2-OD2 3.22Å; H206-D210 PolarHBondContact NE2-OD2 2.9Å; H206-D210 VanDerWaalsContact NE2-OD2 3.13Å; H206-D210 PolarHBondContact O-N 3.49Å; H206-I421 HydrophobicContact CB-CG2 4.21Å
207L98.8Very high98.3Very high0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-65.3-44.4174.9-71.4161000112.1E203 A204 Y205 K209 V211 L212 I326 T412 I421 M423 F426E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 2.94Å; A204-L207 PolarHBondContact O-N 3.43Å; Y205-L207 VanDerWaalsContact C-N 3.34Å; Y205-L207 PolarHBondContact O-N 3.36Å; L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 PolarHBondContact O-N 3.14Å; L207-V211 HydrophobicContact CD2-CG2 3.87Å; L207-V211 WeakPolarHBondContact O-CA 3.29Å; L207-V211 WeakPolarHBondContact O-CB 3.38Å; L207-V211 PolarHBondContact O-N 3.47Å; L207-L212 PolarHBondContact O-N 2.98Å; L207-I326 HydrophobicContact CB-CD1 3.78Å; L207-I326 HydrophobicContact CB-CG1 4.28Å; L207-I326 HydrophobicContact CD1-CG1 4.28Å; L207-T412 HydrophobicContact CD1-CG2 3.56Å; L207-I421 HydrophobicContact CD2-CB 4.14Å; L207-I421 HydrophobicContact CD2-CG1 4.31Å; L207-I421 HydrophobicContact CD2-CG2 3.96Å; L207-I421 HydrophobicContact CG-CG2 4.19Å; L207-M423 HydrophobicContact CD1-CG 4.49Å; L207-M423 HydrophobicContact CD1-SD 3.83Å; L207-M423 HydrophobicContact CD2-SD 3.85Å; L207-M423 HydrophobicContact CG-SD 4.21Å; L207-F426 HydrophobicContact CD1-CD2 4.09Å; L207-F426 HydrophobicContact CD1-CE2 3.68Å
208M98.7Very high98.3Very high0 Ų038.6 Ų38.60%021%0.208CC..Hα-helixtrans-61.2-42176-71.2-174.2-73.500111.8A204 Y205 L212 G213 M214 M219 A222 F223 W226 L323 I326A204-M208 WeakPolarHBondContact O-CG 3.49Å; A204-M208 PolarHBondContact O-N 3.03Å; Y205-M208 PolarHBondContact O-N 3.1Å; M208-L212 HydrophobicContact CG-CD1 4.45Å; M208-L212 CarbonylContact O-C 3.48Å; M208-L212 WeakPolarHBondContact O-CB 3.43Å; M208-L212 PolarHBondContact O-N 2.83Å; M208-G213 PolarHBondContact O-N 3.34Å; M208-M214 HydrophobicContact CB-SD 3.93Å; M208-M214 HydrophobicContact CG-SD 4.02Å; M208-M214 PolarHBondContact O-N 3.33Å; M208-M214 VanDerWaalsContact O-N 3.08Å; M208-M214 HydrophobicContact SD-CE 4.44Å; M208-M214 HydrophobicContact SD-SD 4.29Å; M208-M219 HydrophobicContact CB-CG 3.85Å; M208-M219 HydrophobicContact CB-SD 3.79Å; M208-M219 HydrophobicContact CE-CG 4.39Å; M208-M219 HydrophobicContact SD-CG 4.25Å; M208-A222 HydrophobicContact SD-CB 4.13Å; M208-F223 HydrophobicContact CE-CD2 3.98Å; M208-F223 HydrophobicContact CE-CE2 3.25Å; M208-F223 HydrophobicContact CE-CZ 3.58Å; M208-W226 HydrophobicContact CE-CH2 3.81Å; M208-W226 HydrophobicContact CE-CZ3 4.05Å; M208-W226 HydrophobicContact SD-CH2 3.77Å; M208-W226 HydrophobicContact SD-CZ2 4.19Å; M208-L323 HydrophobicContact CG-CD1 3.73Å; M208-L323 HydrophobicContact SD-CD1 3.38Å; M208-L323 WeakPolarHBondContact SD-CD1 3.36Å; M208-I326 HydrophobicContact CG-CD1 4.01Å
209K98.1Very high98.3Very high76 Ų7635.2 Ų35.233%0.3319%0.192SC..Hα-helixtrans-67.7-53.3-180-174.1-177.4154-73.60112.2Y205 H206 L207 G213 M219Y205-K209 HydrophobicContact CE1-CD 4.31Å; Y205-K209 HydrophobicContact CE2-CD 4.41Å; Y205-K209 WeakPolarHBondContact O-CB 3.3Å; Y205-K209 PolarHBondContact O-N 3.24Å; Y205-K209 WeakPolarHBondContact OH-CD 3.31Å; H206-K209 PolarHBondContact O-N 3.47Å; L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 PolarHBondContact O-N 3.14Å; K209-G213 WeakPolarHBondContact O-CA 3.19Å; K209-G213 PolarHBondContact O-N 3.22Å; K209-M219 HydrophobicContact CB-CE 4.32Å; K209-M219 HydrophobicContact CB-SD 4.13Å
210D96.9Very high98.3Very high76 Ų7633.6 Ų33.641%0.40618%0.184SC..Hα-helixtrans-99.3-24.1-166.3-71.9-6.8000114.1H206 I421H206-D210 IonicContact CD2-OD2 3.86Å; H206-D210 PolarHBondContact CD2-OD2 2.74Å; H206-D210 VanDerWaalsContact CD2-OD2 3.28Å; H206-D210 IonicContact NE2-OD2 3.22Å; H206-D210 PolarHBondContact NE2-OD2 2.9Å; H206-D210 VanDerWaalsContact NE2-OD2 3.13Å; H206-D210 PolarHBondContact O-N 3.49Å; D210-I421 HydrophobicContact CB-CD1 3.71Å
211V97.3Very high98.3Very high10 Ų1039.9 Ų39.96%0.06121%0.214CC..THydrogen-bonded Turntrans-91.5-48.8173.5-174.80000110.7L207 F315 F322 H419 I421L207-V211 HydrophobicContact CD2-CG2 3.87Å; L207-V211 WeakPolarHBondContact O-CA 3.29Å; L207-V211 WeakPolarHBondContact O-CB 3.38Å; L207-V211 PolarHBondContact O-N 3.47Å; V211-F315 HydrophobicContact CG1-CB 3.94Å; V211-F315 HydrophobicContact CG1-CD2 3.79Å; V211-F315 HydrophobicContact CG1-CG 4.04Å; V211-F315 WeakPolarHBondContact O-CB 3.1Å; V211-F322 HydrophobicContact CB-CE1 4.27Å; V211-F322 HydrophobicContact CG1-CD1 4.42Å; V211-F322 HydrophobicContact CG1-CE1 3.8Å; V211-F322 HydrophobicContact CG1-CZ 4.43Å; V211-H419 HydrophobicContact CG2-CB 4.13Å; V211-I421 HydrophobicContact CG2-CD1 4.45Å; V211-I421 HydrophobicContact CG2-CG1 3.75Å
212L97.3Very high98.3Very high4 Ų439.5 Ų39.52%0.02121%0.213CC..SBendtrans-86-15.7-178.4-64.1179.3000113.8L207 M208 M214 F315 K319 F322 L323 I326L207-L212 PolarHBondContact O-N 2.98Å; M208-L212 HydrophobicContact CG-CD1 4.45Å; M208-L212 CarbonylContact O-C 3.48Å; M208-L212 WeakPolarHBondContact O-CB 3.43Å; M208-L212 PolarHBondContact O-N 2.83Å; L212-M214 VanDerWaalsContact C-N 3.25Å; L212-M214 HydrophobicContact CB-CG 3.84Å; L212-M214 HydrophobicContact CB-SD 4.04Å; L212-M214 HydrophobicContact CD1-SD 3.79Å; L212-M214 PolarHBondContact O-N 2.8Å; L212-F315 HydrophobicContact CD2-CD1 3.66Å; L212-F315 HydrophobicContact CD2-CE1 3.6Å; L212-F315 HydrophobicContact CD2-CG 4.25Å; L212-F315 HydrophobicContact CD2-CZ 4.18Å; L212-K319 HydrophobicContact CD2-CB 3.98Å; L212-K319 HydrophobicContact CD2-CD 4.5Å; L212-K319 HydrophobicContact CD2-CG 3.95Å; L212-K319 VanDerWaalsContact O-CE 3.28Å; L212-K319 WeakPolarHBondContact O-CE 3.46Å; L212-K319 PolarHBondContact O-NZ 3.45Å; L212-F322 HydrophobicContact CD1-CD1 4.19Å; L212-F322 HydrophobicContact CD2-CB 4.26Å; L212-F322 HydrophobicContact CD2-CD1 3.73Å; L212-F322 HydrophobicContact CD2-CG 4.44Å; L212-F322 HydrophobicContact CG-CD1 3.94Å; L212-L323 HydrophobicContact CD1-CB 4.2Å; L212-L323 HydrophobicContact CD1-CD1 4.24Å; L212-I326 HydrophobicContact CD1-CD1 4.08Å
213G96.4Very high98.3Very high55 Ų5536.3 Ų36.357%0.56719%0.191SC*.  trans64.430.7-178.400000113M208 K209M208-G213 PolarHBondContact O-N 3.34Å; K209-G213 WeakPolarHBondContact O-CA 3.19Å; K209-G213 PolarHBondContact O-N 3.22Å
214M98Very high98.3Very high24 Ų2438.7 Ų38.712%0.11820%0.204CC..  trans-76.4142.9-179.1-68.1172.469.100111.2M208 L212 E218 M219 A222 L323M208-M214 HydrophobicContact CB-SD 3.93Å; M208-M214 HydrophobicContact CG-SD 4.02Å; M208-M214 PolarHBondContact O-N 3.33Å; M208-M214 VanDerWaalsContact O-N 3.08Å; M208-M214 HydrophobicContact SD-CE 4.44Å; M208-M214 HydrophobicContact SD-SD 4.29Å; L212-M214 VanDerWaalsContact C-N 3.25Å; L212-M214 HydrophobicContact CB-CG 3.84Å; L212-M214 HydrophobicContact CB-SD 4.04Å; L212-M214 HydrophobicContact CD1-SD 3.79Å; L212-M214 PolarHBondContact O-N 2.8Å; M214-E218 VanDerWaalsContact CA-OE2 3.27Å; M214-E218 WeakPolarHBondContact CA-OE2 3.48Å; M214-E218 HydrophobicContact CB-CB 4.21Å; M214-E218 HydrophobicContact CE-CB 3.8Å; M214-M219 HydrophobicContact CB-CG 3.77Å; M214-M219 HydrophobicContact CE-CG 4.31Å; M214-A222 HydrophobicContact CE-CB 4.23Å; M214-L323 HydrophobicContact CE-CD1 4.39Å; M214-L323 HydrophobicContact CE-CD2 4.42Å; M214-L323 HydrophobicContact SD-CD1 4.11Å
215D98.1Very high98.3Very high84 Ų8441.6 Ų41.645%0.44922%0.224SC..  trans-79.5176.7169.875.139.1000112.4D217 E218 M219D215-D217 WeakPolarHBondContact OD1-CA 3.39Å; D215-D217 PolarHBondContact OD1-N 3.14Å; D215-E218 PolarHBondContact N-OE2 2.97Å; D215-E218 PolarHBondContact OD1-N 2.63Å; D215-M219 WeakPolarHBondContact O-CB 3.34Å; D215-M219 WeakPolarHBondContact O-CE 3.41Å; D215-M219 VanDerWaalsContact O-CG 3.29Å; D215-M219 WeakPolarHBondContact O-CG 3.33Å; D215-M219 PolarHBondContact O-N 2.82Å
216H98.4Very high98.3Very high26 Ų2639.6 Ų39.612%0.1222%0.216CC..Hα-helixtrans-70.2-32.5-175-71.866.9000113A220 P255H216-A220 VanDerWaalsContact O-CB 3.29Å; H216-A220 WeakPolarHBondContact O-CB 3.25Å; H216-A220 PolarHBondContact O-N 3.23Å; H216-P255 VanDerWaalsContact CE1-CG 3.45Å; H216-P255 WeakPolarHBondContact CE1-CG 3.06Å; H216-P255 VanDerWaalsContact NE2-CG 3.35Å; H216-P255 WeakPolarHBondContact NE2-CG 3.35Å
217D98.2Very high98.2Very high75 Ų7538.5 Ų38.540%0.40121%0.212SC..Hα-helixtrans-73.5-41.3179.1-73.9-33.9000109.9D215 A220 Q221 H252D215-D217 WeakPolarHBondContact OD1-CA 3.39Å; D215-D217 PolarHBondContact OD1-N 3.14Å; D217-A220 PolarHBondContact O-N 3.06Å; D217-Q221 PolarHBondContact O-N 3.3Å; D217-H252 IonicContact OD1-CE1 2.77Å; D217-H252 PolarHBondContact OD1-CE1 3.43Å; D217-H252 VanDerWaalsContact OD1-CE1 3.28Å; D217-H252 IonicContact OD1-NE2 2.63Å; D217-H252 IonicContact OD2-NE2 3.38Å
218E98.5Very high98.2Very high87 Ų8746.9 Ų46.941%0.40725%0.248SC..Hα-helixtrans-61-46.1172.5-68.7179.9125.600111.8M214 D215 A220 Q221 A222M214-E218 VanDerWaalsContact CA-OE2 3.27Å; M214-E218 WeakPolarHBondContact CA-OE2 3.48Å; M214-E218 HydrophobicContact CB-CB 4.21Å; M214-E218 HydrophobicContact CE-CB 3.8Å; D215-E218 PolarHBondContact N-OE2 2.97Å; D215-E218 PolarHBondContact OD1-N 2.63Å; E218-A220 VanDerWaalsContact C-N 3.33Å; E218-A220 PolarHBondContact O-N 2.75Å; E218-Q221 PolarHBondContact O-N 3.03Å; E218-A222 PolarHBondContact O-N 2.97Å
219M98.8Very high98.2Very high0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-63.6-40176.5-73.9-172.7-73.800111.5Y205 M208 K209 M214 D215 Q221 A222 F223 L243Y205-M219 HydrophobicContact CD2-CE 3.96Å; Y205-M219 HydrophobicContact CD2-SD 3.52Å; Y205-M219 VanDerWaalsContact CD2-SD 3.52Å; Y205-M219 HydrophobicContact CE2-CE 3.57Å; Y205-M219 HydrophobicContact CE2-SD 3.78Å; M208-M219 HydrophobicContact CB-CG 3.85Å; M208-M219 HydrophobicContact CB-SD 3.79Å; M208-M219 HydrophobicContact CE-CG 4.39Å; M208-M219 HydrophobicContact SD-CG 4.25Å; K209-M219 HydrophobicContact CB-CE 4.32Å; K209-M219 HydrophobicContact CB-SD 4.13Å; M214-M219 HydrophobicContact CB-CG 3.77Å; M214-M219 HydrophobicContact CE-CG 4.31Å; D215-M219 WeakPolarHBondContact O-CB 3.34Å; D215-M219 WeakPolarHBondContact O-CE 3.41Å; D215-M219 VanDerWaalsContact O-CG 3.29Å; D215-M219 WeakPolarHBondContact O-CG 3.33Å; D215-M219 PolarHBondContact O-N 2.82Å; M219-Q221 VanDerWaalsContact C-N 3.33Å; M219-Q221 PolarHBondContact O-N 2.57Å; M219-A222 WeakPolarHBondContact O-CB 3.22Å; M219-A222 PolarHBondContact O-N 3.47Å; M219-F223 VanDerWaalsContact O-CD2 3.29Å; M219-F223 WeakPolarHBondContact O-CD2 3.32Å; M219-F223 PolarHBondContact O-N 3.08Å; M219-L243 HydrophobicContact CB-CD1 3.95Å; M219-L243 HydrophobicContact CB-CD2 4.45Å; M219-L243 HydrophobicContact CE-CD2 4.41Å
220A98.8Very high98.1Very high1 Ų149.6 Ų49.61%0.00827%0.266CS..Hα-helixtrans-62-41.8176.100000111.9H216 D217 E218 A222 F223 D224 L243 K244H216-A220 VanDerWaalsContact O-CB 3.29Å; H216-A220 WeakPolarHBondContact O-CB 3.25Å; H216-A220 PolarHBondContact O-N 3.23Å; D217-A220 PolarHBondContact O-N 3.06Å; E218-A220 VanDerWaalsContact C-N 3.33Å; E218-A220 PolarHBondContact O-N 2.75Å; A220-A222 VanDerWaalsContact C-N 3.32Å; A220-A222 PolarHBondContact O-N 2.88Å; A220-F223 PolarHBondContact O-N 3.27Å; A220-D224 PolarHBondContact O-N 3.07Å; A220-L243 HydrophobicContact CB-CB 3.75Å; A220-K244 HydrophobicContact CB-CD 4.35Å; A220-K244 HydrophobicContact CB-CG 3.6Å
221Q98.8Very high98.2Very high132 Ų13246.1 Ų46.162%0.61725%0.247SC*.Hα-helixtrans-64.7-35.8176.1-172.7175.211.700112.2D217 E218 M219 S225D217-Q221 PolarHBondContact O-N 3.3Å; E218-Q221 PolarHBondContact O-N 3.03Å; M219-Q221 VanDerWaalsContact C-N 3.33Å; M219-Q221 PolarHBondContact O-N 2.57Å; Q221-S225 WeakPolarHBondContact O-CB 3.43Å; Q221-S225 PolarHBondContact O-N 3.45Å; Q221-S225 PolarHBondContact O-OG 3.38Å
222A98.8Very high98.2Very high6 Ų648.8 Ų48.85%0.0526%0.261CS..Hα-helixtrans-63.3-49.1173.100000111.4M208 M214 E218 M219 A220 D224 S225 W226 L323M208-A222 HydrophobicContact SD-CB 4.13Å; M214-A222 HydrophobicContact CE-CB 4.23Å; E218-A222 PolarHBondContact O-N 2.97Å; M219-A222 WeakPolarHBondContact O-CB 3.22Å; M219-A222 PolarHBondContact O-N 3.47Å; A220-A222 VanDerWaalsContact C-N 3.32Å; A220-A222 PolarHBondContact O-N 2.88Å; A222-D224 PolarHBondContact O-N 2.91Å; A222-S225 WeakPolarHBondContact O-CB 3.49Å; A222-S225 PolarHBondContact O-N 3.48Å; A222-S225 VanDerWaalsContact O-N 3.11Å; A222-W226 VanDerWaalsContact O-CD1 3.26Å; A222-W226 VanDerWaalsContact O-CG 3.24Å; A222-W226 PolarHBondContact O-N 3.01Å; A222-L323 HydrophobicContact CB-CD1 4.12Å; A222-L323 HydrophobicContact CB-CD2 3.97Å
223F98.8Very high98.2Very high0 Ų048.9 Ų48.90%026%0.262CS..Hα-helixtrans-63.9-38.9176.8-80.4-71.7000112.9I201 M208 M219 A220 S225 W226 N227 I236 T239 A240 L243I201-F223 HydrophobicContact CG2-CE1 3.82Å; I201-F223 HydrophobicContact CG2-CZ 3.85Å; M208-F223 HydrophobicContact CE-CD2 3.98Å; M208-F223 HydrophobicContact CE-CE2 3.25Å; M208-F223 HydrophobicContact CE-CZ 3.58Å; M219-F223 VanDerWaalsContact O-CD2 3.29Å; M219-F223 WeakPolarHBondContact O-CD2 3.32Å; M219-F223 PolarHBondContact O-N 3.08Å; A220-F223 PolarHBondContact O-N 3.27Å; F223-S225 PolarHBondContact O-N 2.91Å; F223-W226 AromaticContact CD1-CE3 3.57Å; F223-W226 HydrophobicContact CD1-CE3 3.57Å; F223-W226 AromaticContact CD1-CZ3 3.91Å; F223-W226 HydrophobicContact CD1-CZ3 3.91Å; F223-W226 AromaticContact CE1-CE3 3.64Å; F223-W226 HydrophobicContact CE1-CE3 3.64Å; F223-W226 AromaticContact CE1-CZ3 3.53Å; F223-W226 HydrophobicContact CE1-CZ3 3.53Å; F223-W226 HydrophobicContact CG-CE3 4.31Å; F223-W226 HydrophobicContact CZ-CE3 4.44Å; F223-W226 AromaticContact CZ-CZ3 3.94Å; F223-W226 HydrophobicContact CZ-CZ3 3.94Å; F223-W226 PolarHBondContact O-N 3.47Å; F223-N227 PolarHBondContact O-N 3.33Å; F223-I236 HydrophobicContact CD1-CD1 3.83Å; F223-I236 HydrophobicContact CD1-CG2 4.18Å; F223-I236 HydrophobicContact CE1-CD1 3.88Å; F223-I236 WeakPolarHBondContact O-CG2 3.46Å; F223-T239 HydrophobicContact CD1-CG2 4.07Å; F223-T239 HydrophobicContact CD2-CG2 3.75Å; F223-T239 HydrophobicContact CE1-CG2 3.98Å; F223-T239 HydrophobicContact CE2-CG2 3.62Å; F223-T239 HydrophobicContact CG-CG2 3.97Å; F223-T239 HydrophobicContact CZ-CG2 3.76Å; F223-A240 HydrophobicContact CB-CB 3.87Å; F223-L243 HydrophobicContact CD2-CD1 3.42Å; F223-L243 VanDerWaalsContact CD2-CD1 3.42Å; F223-L243 HydrophobicContact CE2-CD1 3.74Å
224D98.7Very high98.2Very high53 Ų5348 Ų4828%0.28324%0.242SC..Hα-helixtrans-57.7-39.3171.6-81.7-21.5000111.8A220 A222 A240 K244A220-D224 PolarHBondContact O-N 3.07Å; A222-D224 PolarHBondContact O-N 2.91Å; D224-A240 VanDerWaalsContact OD1-CB 3.26Å; D224-A240 WeakPolarHBondContact OD1-CB 3.46Å; D224-K244 IonicContact OD1-NZ 3.61Å; D224-K244 PolarHBondContact OD1-NZ 2.9Å; D224-K244 VanDerWaalsContact OD2-CE 3.23Å; D224-K244 WeakPolarHBondContact OD2-CE 3.5Å; D224-K244 IonicContact OD2-NZ 2.75Å; D224-K244 PolarHBondContact OD2-NZ 3.28Å
225S98.6Very high98.2Very high60 Ų6047.3 Ų47.342%0.4224%0.239SC..Hα-helixtrans-71.2-42.5178.5-57.40000110.6Q221 A222 F223 N227 K228Q221-S225 WeakPolarHBondContact O-CB 3.43Å; Q221-S225 PolarHBondContact O-N 3.45Å; Q221-S225 PolarHBondContact O-OG 3.38Å; A222-S225 WeakPolarHBondContact O-CB 3.49Å; A222-S225 PolarHBondContact O-N 3.48Å; A222-S225 VanDerWaalsContact O-N 3.11Å; F223-S225 PolarHBondContact O-N 2.91Å; S225-N227 VanDerWaalsContact C-N 3.27Å; S225-N227 PolarHBondContact O-N 3.05Å; S225-K228 WeakPolarHBondContact O-CB 3.41Å; S225-K228 PolarHBondContact O-N 3.27Å; S225-K228 VanDerWaalsContact O-N 3.09Å
226W98.7Very high98.2Very high10 Ų1043.5 Ų43.54%0.03822%0.219CC..Hα-helixtrans-63.2-32.8175.4-64.1-5.1000112.4A204 M208 A222 F223 K228 T229 L231 I236 L323 I326 R327 L330A204-W226 HydrophobicContact CB-CH2 4.24Å; A204-W226 HydrophobicContact CB-CZ3 4.04Å; M208-W226 HydrophobicContact CE-CH2 3.81Å; M208-W226 HydrophobicContact CE-CZ3 4.05Å; M208-W226 HydrophobicContact SD-CH2 3.77Å; M208-W226 HydrophobicContact SD-CZ2 4.19Å; A222-W226 VanDerWaalsContact O-CD1 3.26Å; A222-W226 VanDerWaalsContact O-CG 3.24Å; A222-W226 PolarHBondContact O-N 3.01Å; F223-W226 AromaticContact CD1-CE3 3.57Å; F223-W226 HydrophobicContact CD1-CE3 3.57Å; F223-W226 AromaticContact CD1-CZ3 3.91Å; F223-W226 HydrophobicContact CD1-CZ3 3.91Å; F223-W226 AromaticContact CE1-CE3 3.64Å; F223-W226 HydrophobicContact CE1-CE3 3.64Å; F223-W226 AromaticContact CE1-CZ3 3.53Å; F223-W226 HydrophobicContact CE1-CZ3 3.53Å; F223-W226 HydrophobicContact CG-CE3 4.31Å; F223-W226 HydrophobicContact CZ-CE3 4.44Å; F223-W226 AromaticContact CZ-CZ3 3.94Å; F223-W226 HydrophobicContact CZ-CZ3 3.94Å; F223-W226 PolarHBondContact O-N 3.47Å; W226-K228 PolarHBondContact O-N 3.24Å; W226-K228 VanDerWaalsContact O-N 3.08Å; W226-T229 WeakPolarHBondContact O-CB 3.38Å; W226-T229 PolarHBondContact O-N 3Å; W226-T229 PolarHBondContact O-OG1 3.08Å; W226-L231 HydrophobicContact CB-CB 4.49Å; W226-L231 HydrophobicContact CB-CD1 4.16Å; W226-L231 HydrophobicContact CD2-CD1 4.47Å; W226-L231 HydrophobicContact CE3-CD1 4.39Å; W226-L231 HydrophobicContact CG-CD1 4.4Å; W226-I236 HydrophobicContact CB-CG2 4.42Å; W226-L323 HydrophobicContact CH2-CD1 4.29Å; W226-L323 HydrophobicContact CZ2-CD1 3.62Å; W226-L323 HydrophobicContact CZ2-CG 4.07Å; W226-I326 HydrophobicContact CH2-CB 4.4Å; W226-I326 HydrophobicContact CH2-CG2 3.74Å; W226-I326 HydrophobicContact CZ2-CG2 4.39Å; W226-R327 HydrophobicContact CB-CG 4.5Å; W226-R327 HydrophobicContact CD2-CB 4.21Å; W226-R327 HydrophobicContact CD2-CG 3.84Å; W226-R327 HydrophobicContact CG-CG 3.75Å; W226-R327 HydrophobicContact CZ2-CB 3.9Å; W226-R327 HydrophobicContact CZ2-CG 4.45Å; W226-L330 HydrophobicContact CE3-CD2 4.11Å; W226-L330 HydrophobicContact CZ3-CD2 3.98Å
227N98.4Very high98.2Very high29 Ų2946.6 Ų46.616%0.15523%0.233CC..THydrogen-bonded Turntrans-67.2-6.1175.6-149.644.1000113.9F223 S225 D232 S233 I236F223-N227 PolarHBondContact O-N 3.33Å; S225-N227 VanDerWaalsContact C-N 3.27Å; S225-N227 PolarHBondContact O-N 3.05Å; N227-D232 VanDerWaalsContact O-CB 3.32Å; N227-D232 WeakPolarHBondContact O-CB 3.15Å; N227-D232 WeakPolarHBondContact OD1-CA 3.19Å; N227-S233 PolarHBondContact OD1-N 3.29Å; N227-S233 PolarHBondContact OD1-O 3.3Å; N227-S233 VanDerWaalsContact OD1-O 3.08Å; N227-I236 HydrophobicContact CB-CG2 3.72Å
228K98.1Very high98.2Very high176 Ų17645.2 Ų45.277%0.76523%0.225SC*.THydrogen-bonded Turntrans-104.29.8173.5-58.7171.6-174.1173.20112.4S225 W226S225-K228 WeakPolarHBondContact O-CB 3.41Å; S225-K228 PolarHBondContact O-N 3.27Å; S225-K228 VanDerWaalsContact O-N 3.09Å; W226-K228 PolarHBondContact O-N 3.24Å; W226-K228 VanDerWaalsContact O-N 3.08Å
229T98.2Very high98.2Very high44 Ų4442.3 Ų42.327%0.2721%0.214SC..THydrogen-bonded Turntrans-114.3-161.5179.773.20000110.3W226 L231 D232 R327W226-T229 WeakPolarHBondContact O-CB 3.38Å; W226-T229 PolarHBondContact O-N 3Å; W226-T229 PolarHBondContact O-OG1 3.08Å; T229-L231 PolarHBondContact O-N 3.45Å; T229-L231 VanDerWaalsContact O-N 3.09Å; T229-L231 PolarHBondContact OG1-N 3.3Å; T229-D232 WeakPolarHBondContact O-CB 3.23Å; T229-D232 PolarHBondContact O-N 3.47Å; T229-D232 VanDerWaalsContact O-N 3.11Å; T229-R327 PolarHBondContact OG1-NH1 3.02Å
230E97.5Very high98.2Very high90 Ų9042.3 Ų42.342%0.42121%0.214SC..THydrogen-bonded Turntrans-62.5-14.3174.4-50.977.2-165.900113.2D232 R327 Y331E230-D232 VanDerWaalsContact C-N 3.34Å; E230-R327 IonicContact OE2-CZ 2.79Å; E230-R327 IonicContact OE2-NH1 3.64Å; E230-R327 PolarHBondContact OE2-NH1 3.34Å; E230-R327 IonicContact OE2-NH2 2.8Å; E230-Y331 HydrophobicContact CB-CD2 4.27Å; E230-Y331 HydrophobicContact CB-CE1 4.14Å; E230-Y331 HydrophobicContact CB-CE2 3.78Å; E230-Y331 HydrophobicContact CG-CE1 4.35Å
231L98.3Very high98.2Very high2 Ų246.1 Ų46.11%0.0123%0.234CC..THydrogen-bonded Turntrans-84.70.7176-69.3175.9000114.4W226 T229 S233 I236 R327 L330 Y331W226-L231 HydrophobicContact CB-CB 4.49Å; W226-L231 HydrophobicContact CB-CD1 4.16Å; W226-L231 HydrophobicContact CD2-CD1 4.47Å; W226-L231 HydrophobicContact CE3-CD1 4.39Å; W226-L231 HydrophobicContact CG-CD1 4.4Å; T229-L231 PolarHBondContact O-N 3.45Å; T229-L231 VanDerWaalsContact O-N 3.09Å; T229-L231 PolarHBondContact OG1-N 3.3Å; L231-S233 WeakPolarHBondContact O-CB 3.48Å; L231-S233 PolarHBondContact O-N 2.99Å; L231-S233 PolarHBondContact O-OG 2.82Å; L231-I236 HydrophobicContact CB-CG1 4.4Å; L231-I236 WeakPolarHBondContact O-CG1 3.21Å; L231-R327 HydrophobicContact CD1-CG 3.54Å; L231-L330 HydrophobicContact CD1-CD2 3.81Å; L231-L330 HydrophobicContact CD1-CG 4.18Å; L231-L330 HydrophobicContact CD2-CD2 4.43Å; L231-L330 HydrophobicContact CD2-CG 4.15Å; L231-Y331 HydrophobicContact CD2-CD2 3.96Å; L231-Y331 HydrophobicContact CD2-CG 4.44Å
232D97.8Very high98.2Very high66 Ų6643.7 Ų43.735%0.35322%0.224SC..  trans-47109.9174.7-179.8-32.5000110.6N227 T229 E230 S373 V374N227-D232 VanDerWaalsContact O-CB 3.32Å; N227-D232 WeakPolarHBondContact O-CB 3.15Å; N227-D232 WeakPolarHBondContact OD1-CA 3.19Å; T229-D232 WeakPolarHBondContact O-CB 3.23Å; T229-D232 PolarHBondContact O-N 3.47Å; T229-D232 VanDerWaalsContact O-N 3.11Å; E230-D232 VanDerWaalsContact C-N 3.34Å; D232-S373 WeakPolarHBondContact O-CA 3.37Å; D232-S373 WeakPolarHBondContact O-CB 3.47Å; D232-S373 PolarHBondContact O-OG 3.38Å; D232-V374 HydrophobicContact CB-CG1 3.99Å; D232-V374 HydrophobicContact CB-CG2 3.81Å; D232-V374 PolarHBondContact O-N 3.5Å
233S96.9Very high98.2Very high6 Ų643.5 Ų43.54%0.04222%0.223CC..BIsolated β-bridgetrans-164.7155.1-175.859.40000111.7N227 L231 L235 I236 E237 R372N227-S233 PolarHBondContact OD1-N 3.29Å; N227-S233 PolarHBondContact OD1-O 3.3Å; N227-S233 VanDerWaalsContact OD1-O 3.08Å; L231-S233 WeakPolarHBondContact O-CB 3.48Å; L231-S233 PolarHBondContact O-N 2.99Å; L231-S233 PolarHBondContact O-OG 2.82Å; S233-L235 VanDerWaalsContact C-N 3.27Å; S233-L235 PolarHBondContact O-N 3.49Å; S233-I236 PolarHBondContact O-N 2.86Å; S233-I236 WeakPolarHBondContact OG-CG1 3.45Å; S233-E237 PolarHBondContact O-N 3.37Å; S233-R372 WeakPolarHBondContact CA-O 3.14Å
234F96.3Very high98.2Very high36 Ų3647.2 Ų47.216%0.15824%0.239CC..Hα-helixtrans-57.8-39.9177.6174.3-119.5000113I236 E237 I238 I370 R372F234-I236 PolarHBondContact O-N 2.97Å; F234-E237 WeakPolarHBondContact O-CB 3.37Å; F234-E237 PolarHBondContact O-N 3.22Å; F234-I238 HydrophobicContact CD1-CD1 4.49Å; F234-I238 HydrophobicContact CD2-CG2 3.72Å; F234-I238 HydrophobicContact CE1-CD1 4.06Å; F234-I238 HydrophobicContact CE1-CG2 4.22Å; F234-I238 HydrophobicContact CE2-CG2 3.25Å; F234-I238 HydrophobicContact CG-CG2 4.42Å; F234-I238 HydrophobicContact CZ-CD1 4.31Å; F234-I238 HydrophobicContact CZ-CG2 3.55Å; F234-I238 WeakPolarHBondContact O-CG1 3.38Å; F234-I238 WeakPolarHBondContact O-CG2 3.24Å; F234-I238 PolarHBondContact O-N 3.31Å; F234-I370 HydrophobicContact CD1-CG2 4.36Å; F234-I370 WeakPolarHBondContact CD1-O 3.42Å; F234-I370 HydrophobicContact CE1-CD1 4.23Å; F234-I370 HydrophobicContact CE1-CG2 4.47Å; F234-R372 HydrophobicContact CB-CG 3.65Å; F234-R372 VanDerWaalsContact CD1-NH1 3.33Å; F234-R372 VanDerWaalsContact CG-NH1 3.3Å; F234-R372 VanDerWaalsContact CG-NH2 3.33Å; F234-R372 PolarHBondContact N-O 3.49Å; F234-R372 VanDerWaalsContact N-O 3.15Å
235L97.9Very high98.2Very high11 Ų1151.3 Ų51.36%0.05825%0.251CS..Hα-helixtrans-65.8-38.7-178.8-71.8176.5000112.1D197 M198 I201 S233 I238 T239 I370D197-L235 HydrophobicContact CB-CD1 3.63Å; M198-L235 HydrophobicContact CG-CD1 4.23Å; M198-L235 HydrophobicContact CG-CD2 4.3Å; I201-L235 HydrophobicContact CD1-CB 3.67Å; S233-L235 VanDerWaalsContact C-N 3.27Å; S233-L235 PolarHBondContact O-N 3.49Å; L235-I238 HydrophobicContact CD2-CD1 3.88Å; L235-I238 WeakPolarHBondContact O-CG1 3.28Å; L235-T239 WeakPolarHBondContact O-CB 3.45Å; L235-T239 PolarHBondContact O-N 2.92Å; L235-T239 PolarHBondContact O-OG1 3.46Å; L235-I370 HydrophobicContact CD2-CG2 3.76Å; L235-I370 HydrophobicContact CG-CG2 4.29Å
236I98.6Very high98.1Very high3 Ų353.5 Ų53.52%0.01525%0.253CS..Hα-helixtrans-67.3-42.6175.7-66.2-68.5000110.8I201 F223 W226 N227 L231 S233 F234 T239 A240 L330I201-I236 HydrophobicContact CD1-CD1 3.81Å; I201-I236 HydrophobicContact CD1-CG1 4.32Å; I201-I236 HydrophobicContact CG1-CD1 3.8Å; F223-I236 HydrophobicContact CD1-CD1 3.83Å; F223-I236 HydrophobicContact CD1-CG2 4.18Å; F223-I236 HydrophobicContact CE1-CD1 3.88Å; F223-I236 WeakPolarHBondContact O-CG2 3.46Å; W226-I236 HydrophobicContact CB-CG2 4.42Å; N227-I236 HydrophobicContact CB-CG2 3.72Å; L231-I236 HydrophobicContact CB-CG1 4.4Å; L231-I236 WeakPolarHBondContact O-CG1 3.21Å; S233-I236 PolarHBondContact O-N 2.86Å; S233-I236 WeakPolarHBondContact OG-CG1 3.45Å; F234-I236 PolarHBondContact O-N 2.97Å; I236-T239 PolarHBondContact O-N 2.9Å; I236-A240 PolarHBondContact O-N 2.83Å; I236-A240 VanDerWaalsContact O-N 3.08Å; I236-L330 HydrophobicContact CD1-CD2 4.13Å
237E98.1Very high98.1Very high91 Ų9155.3 Ų55.343%0.42526%0.264SS..Hα-helixtrans-58.1-52.6176.2-171.8-169.2148.900112.2S233 F234 T239 A240 N241S233-E237 PolarHBondContact O-N 3.37Å; F234-E237 WeakPolarHBondContact O-CB 3.37Å; F234-E237 PolarHBondContact O-N 3.22Å; E237-T239 VanDerWaalsContact C-N 3.27Å; E237-T239 PolarHBondContact O-N 3.43Å; E237-A240 PolarHBondContact O-N 3.25Å; E237-N241 PolarHBondContact O-N 3.15Å; E237-N241 VanDerWaalsContact O-N 3.11Å; E237-N241 PolarHBondContact O-ND2 3.28Å
238I97.7Very high98Very high46 Ų4660.7 Ų60.724%0.23630%0.298CS..Hα-helixtrans-67.5-30.3-179.767.9177.2000111.8F234 L235 N241 I242F234-I238 HydrophobicContact CD1-CD1 4.49Å; F234-I238 HydrophobicContact CD2-CG2 3.72Å; F234-I238 HydrophobicContact CE1-CD1 4.06Å; F234-I238 HydrophobicContact CE1-CG2 4.22Å; F234-I238 HydrophobicContact CE2-CG2 3.25Å; F234-I238 HydrophobicContact CG-CG2 4.42Å; F234-I238 HydrophobicContact CZ-CD1 4.31Å; F234-I238 HydrophobicContact CZ-CG2 3.55Å; F234-I238 WeakPolarHBondContact O-CG1 3.38Å; F234-I238 WeakPolarHBondContact O-CG2 3.24Å; F234-I238 PolarHBondContact O-N 3.31Å; L235-I238 HydrophobicContact CD2-CD1 3.88Å; L235-I238 WeakPolarHBondContact O-CG1 3.28Å; I238-N241 PolarHBondContact O-N 3.45Å; I238-I242 HydrophobicContact CG1-CD1 4.47Å; I238-I242 WeakPolarHBondContact O-CB 3.29Å; I238-I242 WeakPolarHBondContact O-CD1 3.36Å; I238-I242 WeakPolarHBondContact O-CG1 3.34Å; I238-I242 PolarHBondContact O-N 2.83Å
239T98.8Very high97.9Very high27 Ų2756.9 Ų56.917%0.16629%0.286CS..Hα-helixtrans-63.4-43.5174.6-67.80000111.3I201 F223 L235 I236 E237 N241 I242 L243I201-T239 HydrophobicContact CG2-CG2 3.77Å; I201-T239 WeakPolarHBondContact CG2-OG1 3.48Å; F223-T239 HydrophobicContact CD1-CG2 4.07Å; F223-T239 HydrophobicContact CD2-CG2 3.75Å; F223-T239 HydrophobicContact CE1-CG2 3.98Å; F223-T239 HydrophobicContact CE2-CG2 3.62Å; F223-T239 HydrophobicContact CG-CG2 3.97Å; F223-T239 HydrophobicContact CZ-CG2 3.76Å; L235-T239 WeakPolarHBondContact O-CB 3.45Å; L235-T239 PolarHBondContact O-N 2.92Å; L235-T239 PolarHBondContact O-OG1 3.46Å; I236-T239 PolarHBondContact O-N 2.9Å; E237-T239 VanDerWaalsContact C-N 3.27Å; E237-T239 PolarHBondContact O-N 3.43Å; T239-N241 VanDerWaalsContact C-N 3.33Å; T239-N241 PolarHBondContact O-N 3.08Å; T239-I242 PolarHBondContact O-N 3.5Å; T239-L243 HydrophobicContact CG2-CD1 4Å; T239-L243 WeakPolarHBondContact O-CG 3.15Å; T239-L243 PolarHBondContact O-N 3.25Å
240A98.7Very high97.8Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-60.4-43173.900000111.7F223 D224 I236 E237 L243 K244F223-A240 HydrophobicContact CB-CB 3.87Å; D224-A240 VanDerWaalsContact OD1-CB 3.26Å; D224-A240 WeakPolarHBondContact OD1-CB 3.46Å; I236-A240 PolarHBondContact O-N 2.83Å; I236-A240 VanDerWaalsContact O-N 3.08Å; E237-A240 PolarHBondContact O-N 3.25Å; A240-L243 PolarHBondContact O-N 2.89Å; A240-K244 WeakPolarHBondContact O-CG 3.37Å; A240-K244 PolarHBondContact O-N 3.08Å
241N98.6Very high97.8Very high81 Ų8156 Ų5643%0.43330%0.296SS..Hα-helixtrans-65.1-41177.6-67.8-24000112.7E237 I238 T239 K244 Y245E237-N241 PolarHBondContact O-N 3.15Å; E237-N241 VanDerWaalsContact O-N 3.11Å; E237-N241 PolarHBondContact O-ND2 3.28Å; I238-N241 PolarHBondContact O-N 3.45Å; T239-N241 VanDerWaalsContact C-N 3.33Å; T239-N241 PolarHBondContact O-N 3.08Å; N241-K244 PolarHBondContact O-N 3.16Å; N241-Y245 PolarHBondContact O-N 3.44Å; N241-Y245 VanDerWaalsContact O-N 3.15Å
242I98.7Very high97.8Very high81 Ų8157.6 Ų57.642%0.41530%0.303SS..Hα-helixtrans-63.4-42.5177.6-73.1161.2000110.7I238 T239 K244 Y245 L254I238-I242 HydrophobicContact CG1-CD1 4.47Å; I238-I242 WeakPolarHBondContact O-CB 3.29Å; I238-I242 WeakPolarHBondContact O-CD1 3.36Å; I238-I242 WeakPolarHBondContact O-CG1 3.34Å; I238-I242 PolarHBondContact O-N 2.83Å; T239-I242 PolarHBondContact O-N 3.5Å; I242-K244 VanDerWaalsContact C-N 3.33Å; I242-K244 PolarHBondContact O-N 2.99Å; I242-Y245 PolarHBondContact O-N 2.99Å; I242-L254 HydrophobicContact CG2-CB 4.49Å; I242-L254 HydrophobicContact CG2-CD1 4.16Å; I242-L254 HydrophobicContact CG2-CD2 4.49Å
243L98.8Very high97.9Very high2 Ų257.2 Ų57.21%0.0130%0.301CS..Hα-helixtrans-64.1-37.5179-73.9164.6000112Y205 M219 A220 F223 T239 A240 Y245 H252 L254Y205-L243 HydrophobicContact CD2-CD2 4Å; Y205-L243 HydrophobicContact CE2-CD2 3.91Å; M219-L243 HydrophobicContact CB-CD1 3.95Å; M219-L243 HydrophobicContact CB-CD2 4.45Å; M219-L243 HydrophobicContact CE-CD2 4.41Å; A220-L243 HydrophobicContact CB-CB 3.75Å; F223-L243 HydrophobicContact CD2-CD1 3.42Å; F223-L243 VanDerWaalsContact CD2-CD1 3.42Å; F223-L243 HydrophobicContact CE2-CD1 3.74Å; T239-L243 HydrophobicContact CG2-CD1 4Å; T239-L243 WeakPolarHBondContact O-CG 3.15Å; T239-L243 PolarHBondContact O-N 3.25Å; A240-L243 PolarHBondContact O-N 2.89Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3.48Å; L243-H252 PolarHBondContact O-CE1 2.96Å; L243-H252 PolarHBondContact O-ND1 2.98Å; L243-L254 HydrophobicContact CD2-CD2 3.56Å; L243-L254 HydrophobicContact CG-CD2 4.44Å
244K98.4Very high97.9Very high78 Ų7859.1 Ų59.134%0.33931%0.31SS..Hα-helixtrans-72.2-23.4176.3-66.8167.5-168.7164.90113.8A220 D224 A240 N241 I242 K246A220-K244 HydrophobicContact CB-CD 4.35Å; A220-K244 HydrophobicContact CB-CG 3.6Å; D224-K244 IonicContact OD1-NZ 3.61Å; D224-K244 PolarHBondContact OD1-NZ 2.9Å; D224-K244 VanDerWaalsContact OD2-CE 3.23Å; D224-K244 WeakPolarHBondContact OD2-CE 3.5Å; D224-K244 IonicContact OD2-NZ 2.75Å; D224-K244 PolarHBondContact OD2-NZ 3.28Å; A240-K244 WeakPolarHBondContact O-CG 3.37Å; A240-K244 PolarHBondContact O-N 3.08Å; N241-K244 PolarHBondContact O-N 3.16Å; I242-K244 VanDerWaalsContact C-N 3.33Å; I242-K244 PolarHBondContact O-N 2.99Å; K244-K246 PolarHBondContact O-N 3.15Å
245Y98.5Very high98Very high138 Ų13861.3 Ų61.354%0.54133%0.328SS..  trans-66123.6-169-170.6-84.5000111.7N241 I242 L243 H252 L253N241-Y245 PolarHBondContact O-N 3.44Å; N241-Y245 VanDerWaalsContact O-N 3.15Å; I242-Y245 PolarHBondContact O-N 2.99Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3.48Å; Y245-H252 WeakPolarHBondContact O-CA 3.29Å; Y245-L253 HydrophobicContact CD1-CB 3.76Å; Y245-L253 HydrophobicContact CD1-CD2 3.83Å; Y245-L253 HydrophobicContact CD1-CG 4.46Å; Y245-L253 HydrophobicContact CE1-CB 4.27Å; Y245-L253 HydrophobicContact CE1-CD2 3.79Å; Y245-L253 PolarHBondContact O-N 2.77Å; Y245-L253 VanDerWaalsContact O-N 3.08Å
246K98Very high98Very high106 Ų10665 Ų6546%0.46134%0.344SS..BIsolated β-bridgetrans-103.1136.1175.6-66.7179.1178.9-173.70110.2K244 G250 T251K244-K246 PolarHBondContact O-N 3.15Å; K246-G250 WeakPolarHBondContact CD-O 3.49Å; K246-T251 CarbonylContact C-O 3.34Å; K246-T251 WeakPolarHBondContact CA-O 3.47Å
247D97.2Very high98Very high49 Ų4969.6 Ų69.626%0.26237%0.367SS..  trans-74.5175.2174.3-168.610.8000110.9D249 G250 T251 L253 K256D247-D249 PolarHBondContact O-N 3.42Å; D247-D249 VanDerWaalsContact O-N 3.08Å; D247-G250 PolarHBondContact O-N 3.24Å; D247-T251 PolarHBondContact N-O 2.99Å; D247-L253 HydrophobicContact CB-CB 4.28Å; D247-L253 HydrophobicContact CB-CD1 4.18Å; D247-K256 IonicContact OD2-NZ 3.67Å; D247-K256 PolarHBondContact OD2-NZ 2.95Å
248T96.4Very high98.1Very high142 Ų14273 Ų7387%0.87138%0.376SS*.THydrogen-bonded Turntrans-56.6-22.1179.854.30000114.5
249D96.6Very high98.1Very high96 Ų9674.2 Ų74.251%0.51338%0.383SS..THydrogen-bonded Turntrans-893.5175.169.93.7000114.3D247 T251 K256D247-D249 PolarHBondContact O-N 3.42Å; D247-D249 VanDerWaalsContact O-N 3.08Å; D249-T251 VanDerWaalsContact C-N 3.3Å; D249-T251 PolarHBondContact O-N 2.99Å; D249-T251 PolarHBondContact OD1-N 3.34Å; D249-T251 PolarHBondContact OD1-OG1 3.02Å; D249-T251 PolarHBondContact OD2-OG1 3.26Å; D249-K256 IonicContact OD1-NZ 3.13Å; D249-K256 PolarHBondContact OD1-NZ 3.31Å; D249-K256 IonicContact OD2-NZ 3.99Å; D249-K256 PolarHBondContact OD2-NZ 3.45Å
250G96.8Very high98Very high47 Ų4775.3 Ų75.349%0.48539%0.392SS..SBendtrans80.52178.300000115.2K246 D247K246-G250 WeakPolarHBondContact CD-O 3.49Å; D247-G250 PolarHBondContact O-N 3.24Å
251T97.4Very high98Very high69 Ų6977.1 Ų77.142%0.42341%0.407SS..SBendtrans-99159.1175.3670000111.6K246 D247 D249 L253 K256K246-T251 CarbonylContact C-O 3.34Å; K246-T251 WeakPolarHBondContact CA-O 3.47Å; D247-T251 PolarHBondContact N-O 2.99Å; D249-T251 VanDerWaalsContact C-N 3.3Å; D249-T251 PolarHBondContact O-N 2.99Å; D249-T251 PolarHBondContact OD1-N 3.34Å; D249-T251 PolarHBondContact OD1-OG1 3.02Å; D249-T251 PolarHBondContact OD2-OG1 3.26Å; T251-L253 PolarHBondContact O-N 3.38Å; T251-K256 WeakPolarHBondContact OG1-CE 3.45Å; T251-K256 PolarHBondContact OG1-NZ 3.47Å
252H98.3Very high97.9Very high35 Ų3576 Ų7616%0.16242%0.415CS..BIsolated β-bridgetrans-59.6134.7178.5-66.1-84000111.2D217 L243 Y245 P255D217-H252 IonicContact OD1-CE1 2.77Å; D217-H252 PolarHBondContact OD1-CE1 3.43Å; D217-H252 VanDerWaalsContact OD1-CE1 3.28Å; D217-H252 IonicContact OD1-NE2 2.63Å; D217-H252 IonicContact OD2-NE2 3.38Å; L243-H252 PolarHBondContact O-CE1 2.96Å; L243-H252 PolarHBondContact O-ND1 2.98Å; Y245-H252 WeakPolarHBondContact O-CA 3.29Å; H252-P255 HydrophobicContact CB-CG 4.35Å; H252-P255 WeakPolarHBondContact O-CD 3.33Å
253L98.6Very high97.5Very high58 Ų5875.3 Ų75.330%0.30441%0.41SS..SBendtrans-73.4-37.6-180179.661.4000112Y245 D247 T251 K256 I257Y245-L253 HydrophobicContact CD1-CB 3.76Å; Y245-L253 HydrophobicContact CD1-CD2 3.83Å; Y245-L253 HydrophobicContact CD1-CG 4.46Å; Y245-L253 HydrophobicContact CE1-CB 4.27Å; Y245-L253 HydrophobicContact CE1-CD2 3.79Å; Y245-L253 PolarHBondContact O-N 2.77Å; Y245-L253 VanDerWaalsContact O-N 3.08Å; D247-L253 HydrophobicContact CB-CB 4.28Å; D247-L253 HydrophobicContact CB-CD1 4.18Å; T251-L253 PolarHBondContact O-N 3.38Å; L253-K256 WeakPolarHBondContact O-CB 3.47Å; L253-K256 PolarHBondContact O-N 2.89Å; L253-I257 HydrophobicContact CG-CD1 4.42Å; L253-I257 HydrophobicContact CG-CG1 4.41Å
254L98.4Very high96.9Very high46 Ų4684.5 Ų84.524%0.24145%0.45CS..G310 helixtrans-52.5-46.7-172.1178.566.4000113.9Y205 I242 L243 K256 I257Y205-L254 HydrophobicContact CE2-CD2 4.06Å; I242-L254 HydrophobicContact CG2-CB 4.49Å; I242-L254 HydrophobicContact CG2-CD1 4.16Å; I242-L254 HydrophobicContact CG2-CD2 4.49Å; L243-L254 HydrophobicContact CD2-CD2 3.56Å; L243-L254 HydrophobicContact CG-CD2 4.44Å; L254-K256 PolarHBondContact O-N 3.42Å; L254-K256 VanDerWaalsContact O-N 3.08Å; L254-I257 HydrophobicContact CD1-CD1 4.3Å; L254-I257 PolarHBondContact O-N 2.95Å; L254-I257 VanDerWaalsContact O-N 3.11Å
255P98.3Very high96.3Very high82 Ų8281.4 Ų81.453%0.53244%0.44SS..G310 helixtrans-59.1-20176.4-2837000115.6H216 H252H216-P255 VanDerWaalsContact CE1-CG 3.45Å; H216-P255 WeakPolarHBondContact CE1-CG 3.06Å; H216-P255 VanDerWaalsContact NE2-CG 3.35Å; H216-P255 WeakPolarHBondContact NE2-CG 3.35Å; H252-P255 HydrophobicContact CB-CG 4.35Å; H252-P255 WeakPolarHBondContact O-CD 3.33Å
256K98.2Very high95.8Very high89 Ų8975.5 Ų75.539%0.38742%0.418SS..G310 helixtrans-89.4-13.5-178.6-49.5-177-165.1175.30112.7D247 D249 T251 L253 L254D247-K256 IonicContact OD2-NZ 3.67Å; D247-K256 PolarHBondContact OD2-NZ 2.95Å; D249-K256 IonicContact OD1-NZ 3.13Å; D249-K256 PolarHBondContact OD1-NZ 3.31Å; D249-K256 IonicContact OD2-NZ 3.99Å; D249-K256 PolarHBondContact OD2-NZ 3.45Å; T251-K256 WeakPolarHBondContact OG1-CE 3.45Å; T251-K256 PolarHBondContact OG1-NZ 3.47Å; L253-K256 WeakPolarHBondContact O-CB 3.47Å; L253-K256 PolarHBondContact O-N 2.89Å; L254-K256 PolarHBondContact O-N 3.42Å; L254-K256 VanDerWaalsContact O-N 3.08Å
257I98.6Very high95.4Very high99 Ų9970.4 Ų70.451%0.50840%0.396SS..SBendtrans-75.1130.4-178.1-59.9177.9000109L253 L254 D259L253-I257 HydrophobicContact CG-CD1 4.42Å; L253-I257 HydrophobicContact CG-CG1 4.41Å; L254-I257 HydrophobicContact CD1-CD1 4.3Å; L254-I257 PolarHBondContact O-N 2.95Å; L254-I257 VanDerWaalsContact O-N 3.11Å; I257-D259 PolarHBondContact O-N 3.37Å
258R98.4Very high95.3Very high161 Ų16172.9 Ų72.961%0.60840%0.404SS*.  trans-62.9126.3175.3-170.7178.8-171.3-168.65110.1S260 E298R258-S260 PolarHBondContact O-N 3.37Å; R258-E298 IonicContact NH2-OE1 3.31Å; R258-E298 PolarHBondContact NH2-OE1 2.88Å
259D98.1Very high95.1Very high73 Ų7368.8 Ų68.839%0.3937%0.373SS..SBendtrans-77.256.4-179.561.8-48.8000112.6I257 K297 R300I257-D259 PolarHBondContact O-N 3.37Å; D259-K297 VanDerWaalsContact CG-NZ 3.3Å; D259-K297 VanDerWaalsContact OD1-CD 3.3Å; D259-K297 WeakPolarHBondContact OD1-CD 3.34Å; D259-K297 WeakPolarHBondContact OD1-CE 3.3Å; D259-K297 IonicContact OD1-NZ 2.86Å; D259-K297 PolarHBondContact OD1-NZ 2.94Å; D259-K297 IonicContact OD2-NZ 2.73Å; D259-K297 PolarHBondContact OD2-NZ 3.05Å; D259-R300 PolarHBondContact O-NH2 3.29Å; D259-R300 IonicContact OD2-CZ 2.8Å; D259-R300 VanDerWaalsContact OD2-CZ 3.28Å; D259-R300 IonicContact OD2-NH1 3.06Å; D259-R300 PolarHBondContact OD2-NH1 3.32Å; D259-R300 IonicContact OD2-NH2 2.81Å; D259-R300 PolarHBondContact OD2-NH2 2.82Å
260S98.3Very high95.2Very high49 Ų4964.2 Ų64.234%0.34335%0.349SS..  trans-129.399.8174.7-177.90000109.4R258 G262R258-S260 PolarHBondContact O-N 3.37Å; S260-G262 PolarHBondContact O-N 3.28Å
261A97.9Very high95.2Very high38 Ų3862.7 Ų62.731%0.31433%0.331SS..  trans-79.7118.1-173.100000111.5R291 S294A261-R291 HydrophobicContact CB-CB 4.21Å; A261-R291 HydrophobicContact CB-CG 3.92Å; A261-S294 WeakPolarHBondContact CB-OG 3.33Å; A261-S294 PolarHBondContact N-OG 3.39Å
262G95.4Very high95.2Very high59 Ų5962.2 Ų62.261%0.60833%0.326SS*.  trans-68.5160.1170.900000113.1S260 R291S260-G262 PolarHBondContact O-N 3.28Å; G262-R291 PolarHBondContact O-NH1 3.25Å
263Q92Very high95.1Very high66 Ų6660.5 Ų60.531%0.30832%0.318SS..  trans-149.4145.8171.452.6173.2-45.200111.2Y195Y195-Q263 HydrophobicContact CE2-CB 4.06Å; Y195-Q263 VanDerWaalsContact OH-CB 3.26Å; Y195-Q263 WeakPolarHBondContact OH-CB 3.41Å
264K85.4Confident95Very high195 Ų19558 Ų5885%0.84831%0.305SS*.  trans-1037.8-179.2-64-175.4-178.8175.60114
265G85.6Confident95Very high13 Ų1362.6 Ų62.613%0.13433%0.329CS..SBendtrans101.3-25.3172.200000116.4G267 K268 W269G265-G267 PolarHBondContact O-N 3.35Å; G265-K268 WeakPolarHBondContact O-CB 3.24Å; G265-K268 PolarHBondContact O-N 3.24Å; G265-K268 VanDerWaalsContact O-N 3.09Å; G265-W269 PolarHBondContact O-N 3.42Å
266T87.1Confident94.9Very high13 Ų1363.4 Ų63.48%0.0833%0.326CS..Hα-helixtrans-63.5-40.6-174.749.50000114.1N103 N191 K268 W269 T270N103-T266 HydrophobicContact CB-CG2 3.92Å; N191-T266 WeakPolarHBondContact CB-OG1 3.39Å; N191-T266 PolarHBondContact OD1-OG1 3.41Å; T266-K268 VanDerWaalsContact C-N 3.32Å; T266-K268 PolarHBondContact O-N 3.04Å; T266-W269 HydrophobicContact CG2-CE3 3.9Å; T266-W269 HydrophobicContact CG2-CZ3 3.77Å; T266-W269 PolarHBondContact O-N 2.89Å; T266-T270 PolarHBondContact O-N 3.12Å; T266-T270 PolarHBondContact O-OG1 2.9Å
267G90.3Very high94.7Very high0 Ų061.1 Ų61.10%032%0.315CS..Hα-helixtrans-61.3-40.417300000112.5G265 W269 T270 A271G265-G267 PolarHBondContact O-N 3.35Å; G267-W269 PolarHBondContact O-N 3.14Å; G267-T270 WeakPolarHBondContact O-CB 3.44Å; G267-T270 PolarHBondContact O-N 3.28Å; G267-A271 PolarHBondContact O-N 3.14Å
268K94.3Very high94.6Very high100 Ų10059.7 Ų59.744%0.43533%0.325SS..Hα-helixtrans-62-42.8175.8-176.1-175.567.9174.40111.6G265 T266 T270 A271 I272 V288G265-K268 WeakPolarHBondContact O-CB 3.24Å; G265-K268 PolarHBondContact O-N 3.24Å; G265-K268 VanDerWaalsContact O-N 3.09Å; T266-K268 VanDerWaalsContact C-N 3.32Å; T266-K268 PolarHBondContact O-N 3.04Å; K268-T270 VanDerWaalsContact C-N 3.26Å; K268-T270 PolarHBondContact O-N 2.91Å; K268-A271 PolarHBondContact O-N 3.34Å; K268-I272 HydrophobicContact CD-CD1 4.16Å; K268-I272 HydrophobicContact CG-CD1 3.76Å; K268-I272 HydrophobicContact CG-CG1 4.27Å; K268-I272 WeakPolarHBondContact O-CG1 3.41Å; K268-I272 PolarHBondContact O-N 3.32Å; K268-V288 HydrophobicContact CB-CG1 4.31Å
269W94.3Very high94.6Very high56 Ų5652.7 Ų52.721%0.21230%0.3CS..Hα-helixtrans-61.5-34.2177.4-63-36.5000112.8E105 M188 G265 T266 G267 I272 S273E105-W269 HydrophobicContact CB-CH2 4.4Å; E105-W269 HydrophobicContact CB-CZ2 4.5Å; M188-W269 HydrophobicContact CG-CB 3.91Å; M188-W269 VanDerWaalsContact SD-C 3.51Å; M188-W269 HydrophobicContact SD-CB 3.43Å; M188-W269 WeakPolarHBondContact SD-CB 3.48Å; G265-W269 PolarHBondContact O-N 3.42Å; T266-W269 HydrophobicContact CG2-CE3 3.9Å; T266-W269 HydrophobicContact CG2-CZ3 3.77Å; T266-W269 PolarHBondContact O-N 2.89Å; G267-W269 PolarHBondContact O-N 3.14Å; W269-I272 PolarHBondContact O-N 3.11Å; W269-S273 VanDerWaalsContact O-CB 3.3Å; W269-S273 WeakPolarHBondContact O-CB 3.42Å; W269-S273 PolarHBondContact O-N 3.24Å; W269-S273 PolarHBondContact O-OG 3.13Å
270T97.1Very high94.6Very high0 Ų052 Ų520%030%0.3CS..Hα-helixtrans-61.5-49.5173.7-53.90000111M188 T266 G267 K268 I272 S273 A274 I284 L344M188-T270 WeakPolarHBondContact CG-OG1 3.37Å; M188-T270 PolarHBondContact O-OG1 2.99Å; T266-T270 PolarHBondContact O-N 3.12Å; T266-T270 PolarHBondContact O-OG1 2.9Å; G267-T270 WeakPolarHBondContact O-CB 3.44Å; G267-T270 PolarHBondContact O-N 3.28Å; K268-T270 VanDerWaalsContact C-N 3.26Å; K268-T270 PolarHBondContact O-N 2.91Å; T270-I272 PolarHBondContact O-N 3.27Å; T270-S273 PolarHBondContact O-N 3.35Å; T270-A274 WeakPolarHBondContact O-CB 3.48Å; T270-A274 PolarHBondContact O-N 2.95Å; T270-I284 HydrophobicContact CG2-CD1 4.09Å; T270-I284 HydrophobicContact CG2-CG2 4.06Å; T270-L344 HydrophobicContact CG2-CD2 3.67Å
271A97.5Very high94.6Very high15 Ų1550 Ų5012%0.12429%0.286CS..Hα-helixtrans-63.7-41178.900000112.5G267 K268 A274 L275 V288G267-A271 PolarHBondContact O-N 3.14Å; K268-A271 PolarHBondContact O-N 3.34Å; A271-A274 WeakPolarHBondContact O-CB 3.35Å; A271-A274 PolarHBondContact O-N 3.2Å; A271-L275 WeakPolarHBondContact O-CG 3.43Å; A271-L275 PolarHBondContact O-N 3.28Å; A271-L275 VanDerWaalsContact O-N 3.11Å; A271-V288 HydrophobicContact CB-CG2 4.5Å
272I96.6Very high94.7Very high59 Ų5950.5 Ų50.530%0.30329%0.285SS..Hα-helixtrans-64.2-44.2176-65.8170.7000110.7K268 W269 T270 A274 L275 E276K268-I272 HydrophobicContact CD-CD1 4.16Å; K268-I272 HydrophobicContact CG-CD1 3.76Å; K268-I272 HydrophobicContact CG-CG1 4.27Å; K268-I272 WeakPolarHBondContact O-CG1 3.41Å; K268-I272 PolarHBondContact O-N 3.32Å; W269-I272 PolarHBondContact O-N 3.11Å; T270-I272 PolarHBondContact O-N 3.27Å; I272-A274 VanDerWaalsContact C-N 3.3Å; I272-A274 PolarHBondContact O-N 2.94Å; I272-L275 WeakPolarHBondContact O-CB 3.45Å; I272-L275 PolarHBondContact O-N 3.44Å; I272-E276 HydrophobicContact CG2-CG 4.49Å; I272-E276 WeakPolarHBondContact CG2-OE1 3.46Å; I272-E276 PolarHBondContact O-N 3.34Å
273S95.8Very high94.8Very high0 Ų047.7 Ų47.70%026%0.256CS..Hα-helixtrans-63-38.9178.4-55.30000111.6Y106 W269 T270 L275 E276 Y277Y106-S273 WeakPolarHBondContact CE1-OG 3.15Å; Y106-S273 VanDerWaalsContact OH-CB 3.29Å; Y106-S273 WeakPolarHBondContact OH-CB 3.22Å; Y106-S273 PolarHBondContact OH-OG 3.47Å; W269-S273 VanDerWaalsContact O-CB 3.3Å; W269-S273 WeakPolarHBondContact O-CB 3.42Å; W269-S273 PolarHBondContact O-N 3.24Å; W269-S273 PolarHBondContact O-OG 3.13Å; T270-S273 PolarHBondContact O-N 3.35Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 2.96Å; S273-E276 PolarHBondContact O-N 2.99Å; S273-Y277 WeakPolarHBondContact O-CD2 3.42Å; S273-Y277 PolarHBondContact O-N 3.32Å
274A97.7Very high95.1Very high4 Ų444.6 Ų44.63%0.03324%0.241CC..Hα-helixtrans-60.2-43.3174.100000112.4T270 A271 I272 G278 T279 V281 L344T270-A274 WeakPolarHBondContact O-CB 3.48Å; T270-A274 PolarHBondContact O-N 2.95Å; A271-A274 WeakPolarHBondContact O-CB 3.35Å; A271-A274 PolarHBondContact O-N 3.2Å; I272-A274 VanDerWaalsContact C-N 3.3Å; I272-A274 PolarHBondContact O-N 2.94Å; A274-G278 PolarHBondContact O-N 3.14Å; A274-G278 VanDerWaalsContact O-N 3.15Å; A274-T279 PolarHBondContact O-N 3.41Å; A274-V281 HydrophobicContact CB-CB 3.58Å; A274-V281 HydrophobicContact CB-CG2 3.45Å; A274-V281 VanDerWaalsContact CB-CG2 3.45Å; A274-L344 HydrophobicContact CB-CD1 4.28Å; A274-L344 HydrophobicContact CB-CD2 4.38Å
275L97.4Very high95.8Very high143 Ų14335.9 Ų35.975%0.74921%0.207SC*.Hα-helixtrans-64.1-45175.8-70.9168.7000112A271 I272 S273 G278A271-L275 WeakPolarHBondContact O-CG 3.43Å; A271-L275 PolarHBondContact O-N 3.28Å; A271-L275 VanDerWaalsContact O-N 3.11Å; I272-L275 WeakPolarHBondContact O-CB 3.45Å; I272-L275 PolarHBondContact O-N 3.44Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 2.96Å; L275-G278 PolarHBondContact O-N 3.03Å
276E95.9Very high96.4Very high100 Ų10038.5 Ų38.547%0.46722%0.215SC..Hα-helixtrans-64.7-39.4-179.7-76.2179.4-160.500113.3R107 I272 S273 G278R107-E276 IonicContact CZ-OE1 2.83Å; R107-E276 IonicContact CZ-OE2 3.13Å; R107-E276 IonicContact NE-OE2 2.67Å; R107-E276 PolarHBondContact NE-OE2 3.14Å; R107-E276 VanDerWaalsContact NH1-CD 3.29Å; R107-E276 IonicContact NH1-OE1 3.09Å; R107-E276 PolarHBondContact NH1-OE1 3.17Å; R107-E276 IonicContact NH1-OE2 3.28Å; R107-E276 PolarHBondContact NH1-OE2 2.59Å; R107-E276 VanDerWaalsContact NH1-OE2 3.09Å; R107-E276 IonicContact NH2-OE1 3.49Å; R107-E276 PolarHBondContact NH2-OE1 2.96Å; R107-E276 IonicContact NH2-OE2 3.28Å; R107-E276 PolarHBondContact NH2-OE2 2.89Å; I272-E276 HydrophobicContact CG2-CG 4.49Å; I272-E276 WeakPolarHBondContact CG2-OE1 3.46Å; I272-E276 PolarHBondContact O-N 3.34Å; S273-E276 PolarHBondContact O-N 2.99Å; E276-G278 VanDerWaalsContact C-N 3.31Å
277Y95.1Very high97Very high40 Ų4037.9 Ų37.916%0.15721%0.212CC..THydrogen-bonded Turntrans-92.915.5178.8-51.9-49.3000113.2Y106 F185 S273 T279 L344 E351 F352Y106-Y277 WeakPolarHBondContact OH-CE2 3.43Å; Y106-Y277 PolarHBondContact OH-OH 3.11Å; F185-Y277 HydrophobicContact CE2-CE2 4.29Å; S273-Y277 WeakPolarHBondContact O-CD2 3.42Å; S273-Y277 PolarHBondContact O-N 3.32Å; Y277-T279 VanDerWaalsContact C-N 3.26Å; Y277-T279 PolarHBondContact O-N 3.27Å; Y277-T279 VanDerWaalsContact O-N 3.16Å; Y277-T279 PolarHBondContact O-OG1 2.92Å; Y277-L344 HydrophobicContact CD2-CD1 4.37Å; Y277-E351 HydrophobicContact CD1-CG 3.81Å; Y277-E351 HydrophobicContact CE1-CG 4.34Å; Y277-E351 HydrophobicContact CG-CG 4.23Å; Y277-F352 HydrophobicContact CE1-CZ 4.35Å; Y277-F352 HydrophobicContact CE2-CE2 4.27Å; Y277-F352 HydrophobicContact CE2-CZ 4.4Å; Y277-F352 AromaticContact CZ-CZ 3.75Å; Y277-F352 VanDerWaalsContact OH-CZ 3.22Å; Y277-F352 WeakPolarHBondContact OH-CZ 3.29Å
278G96.4Very high97.4Very high69 Ų6938.3 Ų38.371%0.71121%0.214SC*.THydrogen-bonded Turntrans58.531.6175.400000114.8A274 L275 E276A274-G278 PolarHBondContact O-N 3.14Å; A274-G278 VanDerWaalsContact O-N 3.15Å; L275-G278 PolarHBondContact O-N 3.03Å; E276-G278 VanDerWaalsContact C-N 3.31Å
279T98.1Very high97.6Very high15 Ų1539.9 Ų39.99%0.09222%0.221CC..  trans-103.5129.4-178.3-55.90000111.1A274 Y277 V281 M343 L344 Q347A274-T279 PolarHBondContact O-N 3.41Å; Y277-T279 VanDerWaalsContact C-N 3.26Å; Y277-T279 PolarHBondContact O-N 3.27Å; Y277-T279 VanDerWaalsContact O-N 3.16Å; Y277-T279 PolarHBondContact O-OG1 2.92Å; T279-V281 VanDerWaalsContact C-N 3.29Å; T279-V281 HydrophobicContact CG2-CG2 3.78Å; T279-V281 PolarHBondContact O-N 3.45Å; T279-M343 HydrophobicContact CG2-CB 4.03Å; T279-L344 HydrophobicContact CG2-CB 4.29Å; T279-Q347 WeakPolarHBondContact OG1-CB 3.47Å
280P98.1Very high97.8Very high58 Ų5838 Ų3838%0.37722%0.218SC..  trans-78.667.3-174.633.3-38.6000113.3T282 Q340 M343 F432P280-T282 HydrophobicContact CB-CG2 4.48Å; P280-T282 PolarHBondContact O-N 3.47Å; P280-Q340 PolarHBondContact O-NE2 3.26Å; P280-M343 HydrophobicContact CG-CE 3.92Å; P280-F432 HydrophobicContact CB-CD2 4.41Å; P280-F432 HydrophobicContact CB-CE2 4.21Å; P280-F432 HydrophobicContact CG-CE2 3.85Å
281V98.7Very high97.9Very high8 Ų839.4 Ų39.45%0.04822%0.223CC..  trans-87.460.7177.5-165.80000110.8A274 T279 L283 I284 G285 Q340 L344A274-V281 HydrophobicContact CB-CB 3.58Å; A274-V281 HydrophobicContact CB-CG2 3.45Å; A274-V281 VanDerWaalsContact CB-CG2 3.45Å; T279-V281 VanDerWaalsContact C-N 3.29Å; T279-V281 HydrophobicContact CG2-CG2 3.78Å; T279-V281 PolarHBondContact O-N 3.45Å; V281-L283 PolarHBondContact O-N 2.9Å; V281-I284 HydrophobicContact CG1-CB 3.87Å; V281-I284 HydrophobicContact CG1-CD1 3.62Å; V281-I284 HydrophobicContact CG1-CG1 3.9Å; V281-G285 PolarHBondContact O-N 3.05Å; V281-Q340 HydrophobicContact CB-CB 4.47Å; V281-Q340 HydrophobicContact CG1-CB 4.08Å; V281-L344 HydrophobicContact CG2-CB 3.82Å; V281-L344 HydrophobicContact CG2-CD2 4.17Å; V281-L344 HydrophobicContact CG2-CG 4.4Å
282T98.8Very high97.9Very high48 Ų4841.2 Ų41.229%0.29423%0.234SC..Hα-helixtrans-68-37.7-167.364.90000113.1P280 G285 E286 Q340 T428P280-T282 HydrophobicContact CB-CG2 4.48Å; P280-T282 PolarHBondContact O-N 3.47Å; T282-G285 PolarHBondContact O-N 2.98Å; T282-E286 PolarHBondContact O-N 3.09Å; T282-Q340 VanDerWaalsContact N-OE1 3.15Å; T282-Q340 PolarHBondContact OG1-NE2 2.67Å; T282-T428 WeakPolarHBondContact CB-OG1 3.05Å; T282-T428 PolarHBondContact OG1-OG1 3.32Å
283L98.9Very high98Very high0 Ų043.1 Ų43.10%024%0.244CC..Hα-helixtrans-66.9-43.4-174.7-163.9156.4000112.1L200 V281 G285 E286 A287 S333 C425 T428 A429L200-L283 HydrophobicContact CD1-CD1 4.23Å; L200-L283 HydrophobicContact CD1-CD2 4.27Å; L200-L283 HydrophobicContact CD2-CD1 4.33Å; L200-L283 HydrophobicContact CG-CD2 4.32Å; V281-L283 PolarHBondContact O-N 2.9Å; L283-G285 VanDerWaalsContact C-N 3.31Å; L283-E286 PolarHBondContact O-N 3.4Å; L283-A287 WeakPolarHBondContact O-CB 3.43Å; L283-A287 PolarHBondContact O-N 3.42Å; L283-S333 VanDerWaalsContact CD1-O 3.31Å; L283-S333 WeakPolarHBondContact CD1-O 3.38Å; L283-C425 HydrophobicContact CD2-CB 4.07Å; L283-C425 HydrophobicContact CG-CB 4.01Å; L283-C425 PolarHBondContact O-SG 3.17Å; L283-T428 HydrophobicContact CB-CG2 4.08Å; L283-T428 HydrophobicContact CG-CG2 4.29Å; L283-A429 HydrophobicContact CD1-CB 3.78Å
284I98.8Very high98.2Very high0 Ų044.1 Ų44.10%025%0.252CS..Hα-helixtrans-66.9-37.4176-60.5177.5000110.2G192 I193 T270 V281 A287 V288G192-I284 VanDerWaalsContact C-CD1 3.42Å; G192-I284 WeakPolarHBondContact O-CG1 3.41Å; I193-I284 HydrophobicContact CG1-CD1 4.03Å; T270-I284 HydrophobicContact CG2-CD1 4.09Å; T270-I284 HydrophobicContact CG2-CG2 4.06Å; V281-I284 HydrophobicContact CG1-CB 3.87Å; V281-I284 HydrophobicContact CG1-CD1 3.62Å; V281-I284 HydrophobicContact CG1-CG1 3.9Å; I284-A287 PolarHBondContact O-N 2.96Å; I284-V288 WeakPolarHBondContact O-CG2 3.41Å; I284-V288 PolarHBondContact O-N 3.08Å
285G98.7Very high98.2Very high12 Ų1246.9 Ų46.912%0.12427%0.271CS..Hα-helixtrans-56.9-51.9172.300000112.1V281 T282 L283 A287 V288 F289V281-G285 PolarHBondContact O-N 3.05Å; T282-G285 PolarHBondContact O-N 2.98Å; L283-G285 VanDerWaalsContact C-N 3.31Å; G285-A287 VanDerWaalsContact C-N 3.34Å; G285-A287 PolarHBondContact O-N 3.01Å; G285-V288 WeakPolarHBondContact O-CB 3.37Å; G285-V288 PolarHBondContact O-N 3.11Å; G285-V288 VanDerWaalsContact O-N 3.15Å; G285-F289 VanDerWaalsContact O-CD2 3.22Å; G285-F289 WeakPolarHBondContact O-CD2 3.46Å; G285-F289 PolarHBondContact O-N 2.74Å
286E98.9Very high98.3Very high68 Ų6844 Ų4432%0.31826%0.255SS..Hα-helixtrans-61.6-38.8175.9-75.8-51.6139.600112.7T282 L283 V288 F289 A290 P424 T428T282-E286 PolarHBondContact O-N 3.09Å; L283-E286 PolarHBondContact O-N 3.4Å; E286-V288 VanDerWaalsContact C-N 3.29Å; E286-V288 PolarHBondContact O-N 3.33Å; E286-F289 PolarHBondContact O-N 2.96Å; E286-A290 WeakPolarHBondContact O-CB 3.47Å; E286-A290 PolarHBondContact O-N 2.92Å; E286-P424 HydrophobicContact CB-CB 4.15Å; E286-P424 HydrophobicContact CG-CB 4.39Å; E286-P424 WeakPolarHBondContact OE2-CB 3.36Å; E286-T428 HydrophobicContact CB-CG2 4.12Å; E286-T428 HydrophobicContact CG-CG2 3.78Å
287A98.8Very high98.4Very high0 Ų041.5 Ų41.50%024%0.243CC..Hα-helixtrans-63.3-35.1175.500000112.5Q199 L283 I284 G285 R291Q199-A287 HydrophobicContact CB-CB 3.9Å; Q199-A287 HydrophobicContact CG-CB 4.32Å; L283-A287 WeakPolarHBondContact O-CB 3.43Å; L283-A287 PolarHBondContact O-N 3.42Å; I284-A287 PolarHBondContact O-N 2.96Å; G285-A287 VanDerWaalsContact C-N 3.34Å; G285-A287 PolarHBondContact O-N 3.01Å; A287-R291 PolarHBondContact O-N 2.98Å
288V98.7Very high98.5Very high9 Ų944.9 Ų44.96%0.05526%0.26CS..Hα-helixtrans-68.6-46.2172.5172.10000110.6Y195 K268 A271 I284 G285 E286 A290 R291 C292Y195-V288 HydrophobicContact CD2-CG2 4.09Å; K268-V288 HydrophobicContact CB-CG1 4.31Å; A271-V288 HydrophobicContact CB-CG2 4.5Å; I284-V288 WeakPolarHBondContact O-CG2 3.41Å; I284-V288 PolarHBondContact O-N 3.08Å; G285-V288 WeakPolarHBondContact O-CB 3.37Å; G285-V288 PolarHBondContact O-N 3.11Å; G285-V288 VanDerWaalsContact O-N 3.15Å; E286-V288 VanDerWaalsContact C-N 3.29Å; E286-V288 PolarHBondContact O-N 3.33Å; V288-A290 PolarHBondContact O-N 3.46Å; V288-R291 WeakPolarHBondContact O-CB 3.18Å; V288-R291 PolarHBondContact O-N 3.17Å; V288-C292 PolarHBondContact O-N 3.05Å; V288-C292 PolarHBondContact O-SG 2.89Å
289F98.8Very high98.6Very high134 Ų13447.4 Ų47.459%0.58825%0.254SS*.Hα-helixtrans-65.8-35.2179.3-71-52.7000113G285 E286 R291 C292 L293G285-F289 VanDerWaalsContact O-CD2 3.22Å; G285-F289 WeakPolarHBondContact O-CD2 3.46Å; G285-F289 PolarHBondContact O-N 2.74Å; E286-F289 PolarHBondContact O-N 2.96Å; F289-R291 VanDerWaalsContact C-N 3.28Å; F289-R291 PolarHBondContact O-N 3.31Å; F289-C292 CarbonylContact O-C 3.59Å; F289-C292 WeakPolarHBondContact O-CA 3.42Å; F289-C292 WeakPolarHBondContact O-CB 3.49Å; F289-C292 PolarHBondContact O-N 3.48Å; F289-C292 VanDerWaalsContact O-N 3.09Å; F289-L293 WeakPolarHBondContact O-CB 3.45Å; F289-L293 PolarHBondContact O-N 2.78Å
290A98.8Very high98.7Very high16 Ų1650.1 Ų50.113%0.13226%0.262CS..Hα-helixtrans-59.6-38.517400000111.9Q199 E286 V288 L293 S294 P424Q199-A290 HydrophobicContact CG-CB 4.2Å; E286-A290 WeakPolarHBondContact O-CB 3.47Å; E286-A290 PolarHBondContact O-N 2.92Å; V288-A290 PolarHBondContact O-N 3.46Å; A290-L293 PolarHBondContact O-N 2.84Å; A290-S294 PolarHBondContact O-N 2.76Å; A290-P424 HydrophobicContact CB-CG 4.28Å
291R98.8Very high98.7Very high29 Ų2949.4 Ų49.411%0.10926%0.257CS..Hα-helixtrans-65.6-43.5172.5-64.8-174.4-173.7-141.24.6111.9Y195 M198 A261 G262 A287 V288 F289 L293 S294 S295Y195-R291 VanDerWaalsContact CD2-NE 3.27Å; Y195-R291 VanDerWaalsContact CE2-CZ 3.43Å; Y195-R291 VanDerWaalsContact CG-NH2 3.33Å; Y195-R291 VanDerWaalsContact CZ-CZ 3.45Å; M198-R291 PolarHBondContact SD-NH2 3.42Å; M198-R291 VanDerWaalsContact SD-NH2 3.42Å; A261-R291 HydrophobicContact CB-CB 4.21Å; A261-R291 HydrophobicContact CB-CG 3.92Å; G262-R291 PolarHBondContact O-NH1 3.25Å; A287-R291 PolarHBondContact O-N 2.98Å; V288-R291 WeakPolarHBondContact O-CB 3.18Å; V288-R291 PolarHBondContact O-N 3.17Å; F289-R291 VanDerWaalsContact C-N 3.28Å; F289-R291 PolarHBondContact O-N 3.31Å; R291-L293 VanDerWaalsContact C-N 3.33Å; R291-L293 PolarHBondContact O-N 3.32Å; R291-S294 PolarHBondContact O-N 2.98Å; R291-S294 PolarHBondContact O-OG 3.21Å; R291-S295 PolarHBondContact O-N 3.46Å; R291-S295 VanDerWaalsContact O-N 3.15Å; R291-S295 PolarHBondContact O-OG 3.44Å
292C98.6Very high98.7Very high53 Ų5355.1 Ų55.136%0.35828%0.283SS..Hα-helixtrans-58.6-45.7174.5-630000111.3V288 F289 S294 S295 L296V288-C292 PolarHBondContact O-N 3.05Å; V288-C292 PolarHBondContact O-SG 2.89Å; F289-C292 CarbonylContact O-C 3.59Å; F289-C292 WeakPolarHBondContact O-CA 3.42Å; F289-C292 WeakPolarHBondContact O-CB 3.49Å; F289-C292 PolarHBondContact O-N 3.48Å; F289-C292 VanDerWaalsContact O-N 3.09Å; C292-S294 VanDerWaalsContact C-N 3.35Å; C292-S294 PolarHBondContact O-N 2.9Å; C292-S295 WeakPolarHBondContact O-CB 3.44Å; C292-S295 PolarHBondContact O-N 2.85Å; C292-S295 VanDerWaalsContact O-N 3.12Å; C292-L296 PolarHBondContact O-N 3.39Å
293L98.8Very high98.7Very high99 Ų9954.5 Ų54.552%0.51828%0.282SS..Hα-helixtrans-60.7-42176.9-178.463.8000112F289 A290 R291 S295 L296 R300F289-L293 WeakPolarHBondContact O-CB 3.45Å; F289-L293 PolarHBondContact O-N 2.78Å; A290-L293 PolarHBondContact O-N 2.84Å; R291-L293 VanDerWaalsContact C-N 3.33Å; R291-L293 PolarHBondContact O-N 3.32Å; L293-S295 PolarHBondContact O-N 2.98Å; L293-L296 PolarHBondContact O-N 2.89Å; L293-R300 WeakPolarHBondContact O-CD 3.46Å; L293-R300 PolarHBondContact O-NE 3.46Å; L293-R300 VanDerWaalsContact O-NE 3.16Å
294S98.8Very high98.6Very high22 Ų2258.5 Ų58.515%0.15431%0.31CS..Hα-helixtrans-61.5-33.3176.878.90000112.4A261 A290 R291 C292 L296 R300A261-S294 WeakPolarHBondContact CB-OG 3.33Å; A261-S294 PolarHBondContact N-OG 3.39Å; A290-S294 PolarHBondContact O-N 2.76Å; R291-S294 PolarHBondContact O-N 2.98Å; R291-S294 PolarHBondContact O-OG 3.21Å; C292-S294 VanDerWaalsContact C-N 3.35Å; C292-S294 PolarHBondContact O-N 2.9Å; S294-L296 VanDerWaalsContact C-N 3.26Å; S294-L296 PolarHBondContact O-N 3.32Å; S294-R300 PolarHBondContact O-NH2 2.69Å
295S98.5Very high98.6Very high62 Ų6268.1 Ų68.143%0.43435%0.347SS..Hα-helixtrans-67.8-24.7179.3-62.10000113R291 C292 L293 K297R291-S295 PolarHBondContact O-N 3.46Å; R291-S295 VanDerWaalsContact O-N 3.15Å; R291-S295 PolarHBondContact O-OG 3.44Å; C292-S295 WeakPolarHBondContact O-CB 3.44Å; C292-S295 PolarHBondContact O-N 2.85Å; C292-S295 VanDerWaalsContact O-N 3.12Å; L293-S295 PolarHBondContact O-N 2.98Å; S295-K297 PolarHBondContact O-N 2.87Å
296L98.6Very high98.6Very high81 Ų8172.4 Ų72.442%0.42438%0.375SS..  trans-76.243.1173.6-56.1178.8000111.8C292 L293 S294 E298 E299 R300C292-L296 PolarHBondContact O-N 3.39Å; L293-L296 PolarHBondContact O-N 2.89Å; S294-L296 VanDerWaalsContact C-N 3.26Å; S294-L296 PolarHBondContact O-N 3.32Å; L296-E298 PolarHBondContact O-N 3.05Å; L296-E299 HydrophobicContact CB-CB 4.26Å; L296-E299 PolarHBondContact O-N 3.45Å; L296-R300 WeakPolarHBondContact O-CG 3.49Å; L296-R300 PolarHBondContact O-N 2.94Å
297K98.6Very high98.5Very high49 Ų4975.5 Ų75.521%0.21339%0.393CS..Hα-helixtrans-58.2-49.4-170.3175.959.3-175.6-174.60112.8D259 S295 E299 R300 V301D259-K297 VanDerWaalsContact CG-NZ 3.3Å; D259-K297 VanDerWaalsContact OD1-CD 3.3Å; D259-K297 WeakPolarHBondContact OD1-CD 3.34Å; D259-K297 WeakPolarHBondContact OD1-CE 3.3Å; D259-K297 IonicContact OD1-NZ 2.86Å; D259-K297 PolarHBondContact OD1-NZ 2.94Å; D259-K297 IonicContact OD2-NZ 2.73Å; D259-K297 PolarHBondContact OD2-NZ 3.05Å; S295-K297 PolarHBondContact O-N 2.87Å; K297-E299 VanDerWaalsContact C-N 3.33Å; K297-E299 PolarHBondContact O-N 3.32Å; K297-R300 VanDerWaalsContact CD-NH2 3.33Å; K297-R300 PolarHBondContact O-N 3.14Å; K297-V301 HydrophobicContact CD-CG2 4.29Å; K297-V301 WeakPolarHBondContact O-CG2 3.33Å; K297-V301 PolarHBondContact O-N 3.09Å
298E98.5Very high98.4Very high111 Ų11180.7 Ų80.752%0.51943%0.429SS..Hα-helixtrans-66.9-38.1-177.5-53.8-48.6147.800111.5R258 L296 V301 Q302R258-E298 IonicContact NH2-OE1 3.31Å; R258-E298 PolarHBondContact NH2-OE1 2.88Å; L296-E298 PolarHBondContact O-N 3.05Å; E298-V301 PolarHBondContact O-N 3.08Å; E298-Q302 WeakPolarHBondContact O-CG 3.27Å; E298-Q302 PolarHBondContact O-N 3.11Å
299E98.7Very high98.2Very high122 Ų12282.6 Ų82.657%0.5745%0.451SS*.Hα-helixtrans-65.4-42.7175.9-168.3176.3165.100111.4L296 K297 V301 Q302 A303L296-E299 HydrophobicContact CB-CB 4.26Å; L296-E299 PolarHBondContact O-N 3.45Å; K297-E299 VanDerWaalsContact C-N 3.33Å; K297-E299 PolarHBondContact O-N 3.32Å; E299-V301 VanDerWaalsContact C-N 3.34Å; E299-V301 PolarHBondContact O-N 3.01Å; E299-Q302 PolarHBondContact O-N 3.5Å; E299-A303 WeakPolarHBondContact O-CB 3.45Å; E299-A303 PolarHBondContact O-N 3.07Å
300R98.6Very high98Very high71 Ų7179.8 Ų79.827%0.26845%0.446SS..Hα-helixtrans-61.6-39.6174-72.9-173.2-63.6111.2-4.5112.5D259 L293 S294 L296 K297 Q302 A303 S304D259-R300 PolarHBondContact O-NH2 3.29Å; D259-R300 IonicContact OD2-CZ 2.8Å; D259-R300 VanDerWaalsContact OD2-CZ 3.28Å; D259-R300 IonicContact OD2-NH1 3.06Å; D259-R300 PolarHBondContact OD2-NH1 3.32Å; D259-R300 IonicContact OD2-NH2 2.81Å; D259-R300 PolarHBondContact OD2-NH2 2.82Å; L293-R300 WeakPolarHBondContact O-CD 3.46Å; L293-R300 PolarHBondContact O-NE 3.46Å; L293-R300 VanDerWaalsContact O-NE 3.16Å; S294-R300 PolarHBondContact O-NH2 2.69Å; L296-R300 WeakPolarHBondContact O-CG 3.49Å; L296-R300 PolarHBondContact O-N 2.94Å; K297-R300 VanDerWaalsContact CD-NH2 3.33Å; K297-R300 PolarHBondContact O-N 3.14Å; R300-Q302 VanDerWaalsContact C-N 3.34Å; R300-A303 PolarHBondContact O-N 3.31Å; R300-S304 WeakPolarHBondContact O-CB 3.37Å; R300-S304 PolarHBondContact O-N 3.17Å
301V98.6Very high97.4Very high44 Ų4487 Ų8727%0.26748%0.477SS..Hα-helixtrans-62.9-42.8175.6170.10000110.6K297 E298 E299 S304K297-V301 HydrophobicContact CD-CG2 4.29Å; K297-V301 WeakPolarHBondContact O-CG2 3.33Å; K297-V301 PolarHBondContact O-N 3.09Å; E298-V301 PolarHBondContact O-N 3.08Å; E299-V301 VanDerWaalsContact C-N 3.34Å; E299-V301 PolarHBondContact O-N 3.01Å; V301-S304 PolarHBondContact O-OG 2.96Å
302Q98.6Very high96.3Very high127 Ų12789.5 Ų89.559%0.59351%0.512SS*.Hα-helixtrans-64.5-47.9174.7-68177.415.400111.6E298 E299 R300 S304 R305E298-Q302 WeakPolarHBondContact O-CG 3.27Å; E298-Q302 PolarHBondContact O-N 3.11Å; E299-Q302 PolarHBondContact O-N 3.5Å; R300-Q302 VanDerWaalsContact C-N 3.34Å; Q302-S304 VanDerWaalsContact C-N 3.28Å; Q302-S304 PolarHBondContact O-N 3.22Å; Q302-R305 WeakPolarHBondContact O-CB 3.45Å; Q302-R305 PolarHBondContact O-N 3.13Å; Q302-R305 VanDerWaalsContact O-N 3.12Å
303A98.6Very high95.6Very high35 Ų3591.5 Ų91.529%0.28952%0.518SS..Hα-helixtrans-58.4-38.4179.200000112.4E299 R300 R305 S306 L307E299-A303 WeakPolarHBondContact O-CB 3.45Å; E299-A303 PolarHBondContact O-N 3.07Å; R300-A303 PolarHBondContact O-N 3.31Å; A303-R305 PolarHBondContact O-N 3.19Å; A303-R305 VanDerWaalsContact O-N 3.07Å; A303-S306 PolarHBondContact O-N 3.42Å; A303-L307 HydrophobicContact CB-CD1 4.07Å; A303-L307 HydrophobicContact CB-CG 4.5Å; A303-L307 WeakPolarHBondContact O-CB 3.3Å; A303-L307 PolarHBondContact O-N 2.86Å
304S97.9Very high95Very high84 Ų8495.6 Ų95.659%0.58753%0.532SS*.Hα-helixtrans-61.2-18.117973.70000114.7R300 V301 Q302R300-S304 WeakPolarHBondContact O-CB 3.37Å; R300-S304 PolarHBondContact O-N 3.17Å; V301-S304 PolarHBondContact O-OG 2.96Å; Q302-S304 VanDerWaalsContact C-N 3.28Å; Q302-S304 PolarHBondContact O-N 3.22Å
305R98.1Very high94.7Very high203 Ų20397 Ų9777%0.76654%0.535SS*.Hα-helixtrans-88.7-18.7176.9-59.8173.7-176.1176.10.4112.8Q302 A303Q302-R305 WeakPolarHBondContact O-CB 3.45Å; Q302-R305 PolarHBondContact O-N 3.13Å; Q302-R305 VanDerWaalsContact O-N 3.12Å; A303-R305 PolarHBondContact O-N 3.19Å; A303-R305 VanDerWaalsContact O-N 3.07Å
306S98Very high94.2Very high102 Ų102101.6 Ų101.671%0.71356%0.555SS**Hα-helixtrans-113.4-31.5-172.1-57.60000113A303A303-S306 PolarHBondContact O-N 3.42Å
307L97.9Very high93.9Very high132 Ų13299.7 Ų99.769%0.69156%0.555SS**  trans-96.3126.3-179.6-56.6-178.3000109.6A303A303-L307 HydrophobicContact CB-CD1 4.07Å; A303-L307 HydrophobicContact CB-CG 4.5Å; A303-L307 WeakPolarHBondContact O-CB 3.3Å; A303-L307 PolarHBondContact O-N 2.86Å
308S96.6Very high93.8Very high109 Ų109102.4 Ų102.476%0.76257%0.572SS**  trans-91.7145.5173.854.70000110.8
309G95.1Very high93.7Very high49 Ų49102.4 Ų102.451%0.50557%0.57SS.*  trans-109.6-178.4169.100000111.5Q311G309-Q311 PolarHBondContact O-N 3.38Å
310P94.3Very high93.7Very high76 Ų7699.8 Ų99.849%0.49457%0.569SS.*  trans-52.5135.9170.4-23.934.6000111.3L313 Q418P310-L313 HydrophobicContact CB-CD1 3.77Å; P310-Q418 WeakPolarHBondContact CB-O 3.3Å; P310-Q418 WeakPolarHBondContact CG-O 3.38Å
311Q85Confident93.6Very high168 Ų16898.8 Ų98.879%0.78558%0.576SS**  trans-115.5147.6-176.1-65.9-170.3-3.900112.2G309 L313G309-Q311 PolarHBondContact O-N 3.38Å; Q311-L313 PolarHBondContact O-N 3.02Å
312G75.8Confident93.6Very high81 Ų8197.2 Ų97.284%0.83557%0.566SS**SBendtrans72.15.3168.400000115.8K314G312-K314 PolarHBondContact O-N 3.34Å
313L84.8Confident93.6Very high94 Ų9492.8 Ų92.849%0.49255%0.546SS..  trans-74.1114.5176.1-64.8173.7000109.5P310 Q311 Q418P310-L313 HydrophobicContact CB-CD1 3.77Å; Q311-L313 PolarHBondContact O-N 3.02Å; L313-Q418 WeakPolarHBondContact CD1-O 3.44Å
314K86.1Confident93.7Very high185 Ų18594.5 Ų94.580%0.80455%0.548SS*.  trans-106.6136.3167.6-67.7-174.8178.6-177.90107.5G312 D316G312-K314 PolarHBondContact O-N 3.34Å; K314-D316 PolarHBondContact O-N 3.44Å
315F91.2Very high93.7Very high51 Ų5191.2 Ų91.222%0.22452%0.524CS..  trans-66.9116.2169.4-176.1-100000109.4V211 L212 G317 K319 F322V211-F315 HydrophobicContact CG1-CB 3.94Å; V211-F315 HydrophobicContact CG1-CD2 3.79Å; V211-F315 HydrophobicContact CG1-CG 4.04Å; V211-F315 WeakPolarHBondContact O-CB 3.1Å; L212-F315 HydrophobicContact CD2-CD1 3.66Å; L212-F315 HydrophobicContact CD2-CE1 3.6Å; L212-F315 HydrophobicContact CD2-CG 4.25Å; L212-F315 HydrophobicContact CD2-CZ 4.18Å; F315-G317 WeakPolarHBondContact CE1-O 3.35Å; F315-K319 HydrophobicContact CD1-CG 4.35Å; F315-K319 HydrophobicContact CE1-CG 4.24Å; F315-F322 HydrophobicContact CE1-CB 4.25Å; F315-F322 HydrophobicContact CE2-CB 4.01Å; F315-F322 HydrophobicContact CE2-CD1 4.06Å; F315-F322 HydrophobicContact CE2-CD2 4.15Å; F315-F322 AromaticContact CE2-CG 3.8Å; F315-F322 HydrophobicContact CE2-CG 3.8Å; F315-F322 HydrophobicContact CZ-CB 3.48Å; F315-F322 VanDerWaalsContact CZ-CB 3.48Å; F315-F322 HydrophobicContact CZ-CD1 4.22Å; F315-F322 HydrophobicContact CZ-CD2 4.44Å; F315-F322 AromaticContact CZ-CG 3.81Å; F315-F322 HydrophobicContact CZ-CG 3.81Å
316D89Confident93.7Very high160 Ų16081.6 Ų81.686%0.85649%0.487SS*.  trans-107.52.5-178.963.2-9000113K314K314-D316 PolarHBondContact O-N 3.44Å
317G92.3Very high93.8Very high40 Ų4077.6 Ų77.641%0.41246%0.457SS..SBendtrans-82.9-177.317900000114.7F315 K319F315-G317 WeakPolarHBondContact CE1-O 3.35Å; G317-K319 PolarHBondContact O-N 2.95Å
318N96.5Very high93.8Very high107 Ų10773.8 Ų73.857%0.57243%0.434SS*.  trans-74.9111.2173.6-179.9-25.9000110.2A320 A321 F322N318-A320 VanDerWaalsContact C-N 3.32Å; N318-A320 PolarHBondContact O-N 3.37Å; N318-A320 WeakPolarHBondContact OD1-CB 3.33Å; N318-A320 PolarHBondContact OD1-N 3.34Å; N318-A321 HydrophobicContact CB-CB 3.92Å; N318-A321 PolarHBondContact O-N 3.08Å; N318-A321 PolarHBondContact OD1-N 3.26Å; N318-F322 PolarHBondContact O-N 3.44Å
319K96.4Very high93.9Very high111 Ų11168.6 Ų68.648%0.48340%0.398SS..Hα-helixtrans-56.7-42.1-179-64.1-162.1-179.4-169.50113.1L212 F315 G317 F322 L323L212-K319 HydrophobicContact CD2-CB 3.98Å; L212-K319 HydrophobicContact CD2-CD 4.5Å; L212-K319 HydrophobicContact CD2-CG 3.95Å; L212-K319 VanDerWaalsContact O-CE 3.28Å; L212-K319 WeakPolarHBondContact O-CE 3.46Å; L212-K319 PolarHBondContact O-NZ 3.45Å; F315-K319 HydrophobicContact CD1-CG 4.35Å; F315-K319 HydrophobicContact CE1-CG 4.24Å; G317-K319 PolarHBondContact O-N 2.95Å; K319-F322 PolarHBondContact O-N 3.46Å; K319-L323 VanDerWaalsContact O-CB 3.32Å; K319-L323 WeakPolarHBondContact O-CB 3.45Å; K319-L323 PolarHBondContact O-N 3.42Å
320A97.6Very high94.1Very high67 Ų6766.4 Ų66.455%0.55438%0.375SS*.Hα-helixtrans-67.5-39.5-179.100000111.7N318 L323 E324N318-A320 VanDerWaalsContact C-N 3.32Å; N318-A320 PolarHBondContact O-N 3.37Å; N318-A320 WeakPolarHBondContact OD1-CB 3.33Å; N318-A320 PolarHBondContact OD1-N 3.34Å; A320-L323 PolarHBondContact O-N 3.24Å; A320-E324 PolarHBondContact O-N 2.87Å; A320-E324 VanDerWaalsContact O-N 3.13Å
321A98.3Very high94.3Very high50 Ų5063.3 Ų63.341%0.41335%0.353SS..Hα-helixtrans-65-42.4175.500000111.6N318 E324 D325N318-A321 HydrophobicContact CB-CB 3.92Å; N318-A321 PolarHBondContact O-N 3.08Å; N318-A321 PolarHBondContact OD1-N 3.26Å; A321-E324 PolarHBondContact O-N 3.01Å; A321-D325 PolarHBondContact O-N 2.8Å
322F98.5Very high95Very high11 Ų1155.3 Ų55.35%0.04832%0.316CS..Hα-helixtrans-72.2-29.9178.1-168.8-111.1000112.9V211 L212 F315 N318 K319 E324 D325 I326 A415V211-F322 HydrophobicContact CB-CE1 4.27Å; V211-F322 HydrophobicContact CG1-CD1 4.42Å; V211-F322 HydrophobicContact CG1-CE1 3.8Å; V211-F322 HydrophobicContact CG1-CZ 4.43Å; L212-F322 HydrophobicContact CD1-CD1 4.19Å; L212-F322 HydrophobicContact CD2-CB 4.26Å; L212-F322 HydrophobicContact CD2-CD1 3.73Å; L212-F322 HydrophobicContact CD2-CG 4.44Å; L212-F322 HydrophobicContact CG-CD1 3.94Å; F315-F322 HydrophobicContact CE1-CB 4.25Å; F315-F322 HydrophobicContact CE2-CB 4.01Å; F315-F322 HydrophobicContact CE2-CD1 4.06Å; F315-F322 HydrophobicContact CE2-CD2 4.15Å; F315-F322 AromaticContact CE2-CG 3.8Å; F315-F322 HydrophobicContact CE2-CG 3.8Å; F315-F322 HydrophobicContact CZ-CB 3.48Å; F315-F322 VanDerWaalsContact CZ-CB 3.48Å; F315-F322 HydrophobicContact CZ-CD1 4.22Å; F315-F322 HydrophobicContact CZ-CD2 4.44Å; F315-F322 AromaticContact CZ-CG 3.81Å; F315-F322 HydrophobicContact CZ-CG 3.81Å; N318-F322 PolarHBondContact O-N 3.44Å; K319-F322 PolarHBondContact O-N 3.46Å; F322-E324 VanDerWaalsContact C-N 3.33Å; F322-D325 HydrophobicContact CD2-CB 4.22Å; F322-D325 WeakPolarHBondContact O-CB 3.49Å; F322-D325 PolarHBondContact O-N 2.9Å; F322-D325 VanDerWaalsContact O-N 3.17Å; F322-I326 HydrophobicContact CD1-CD1 3.89Å; F322-I326 HydrophobicContact CD1-CG1 4.27Å; F322-I326 HydrophobicContact CE1-CD1 3.81Å; F322-I326 HydrophobicContact CE1-CG1 4.07Å; F322-I326 HydrophobicContact CZ-CG1 4.46Å; F322-I326 WeakPolarHBondContact O-CG1 3.45Å; F322-I326 PolarHBondContact O-N 3.36Å; F322-A415 HydrophobicContact CE2-CB 3.53Å; F322-A415 HydrophobicContact CZ-CB 3.47Å; F322-A415 VanDerWaalsContact CZ-CB 3.47Å
323L98.7Very high96.1Very high34 Ų3451.4 Ų51.418%0.17828%0.276CS..Hα-helixtrans-62.5-40.9171.2-174.166000111.5M208 L212 M214 A222 W226 K319 A320 D325 I326 R327M208-L323 HydrophobicContact CG-CD1 3.73Å; M208-L323 HydrophobicContact SD-CD1 3.38Å; M208-L323 WeakPolarHBondContact SD-CD1 3.36Å; L212-L323 HydrophobicContact CD1-CB 4.2Å; L212-L323 HydrophobicContact CD1-CD1 4.24Å; M214-L323 HydrophobicContact CE-CD1 4.39Å; M214-L323 HydrophobicContact CE-CD2 4.42Å; M214-L323 HydrophobicContact SD-CD1 4.11Å; A222-L323 HydrophobicContact CB-CD1 4.12Å; A222-L323 HydrophobicContact CB-CD2 3.97Å; W226-L323 HydrophobicContact CH2-CD1 4.29Å; W226-L323 HydrophobicContact CZ2-CD1 3.62Å; W226-L323 HydrophobicContact CZ2-CG 4.07Å; K319-L323 VanDerWaalsContact O-CB 3.32Å; K319-L323 WeakPolarHBondContact O-CB 3.45Å; K319-L323 PolarHBondContact O-N 3.42Å; A320-L323 PolarHBondContact O-N 3.24Å; L323-D325 VanDerWaalsContact C-N 3.33Å; L323-I326 PolarHBondContact O-N 2.66Å; L323-R327 PolarHBondContact O-N 2.63Å
324E98.8Very high96.8Very high70 Ų7047.4 Ų47.433%0.32726%0.255SS..Hα-helixtrans-66.4-36.3171.7177.857.8-166.400111.8A320 A321 F322 I326 R327 K328A320-E324 PolarHBondContact O-N 2.87Å; A320-E324 VanDerWaalsContact O-N 3.13Å; A321-E324 PolarHBondContact O-N 3.01Å; F322-E324 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.02Å; E324-R327 WeakPolarHBondContact O-CB 3.47Å; E324-R327 PolarHBondContact O-N 2.78Å; E324-R327 IonicContact OE1-CZ 3.69Å; E324-R327 IonicContact OE1-NE 2.64Å; E324-R327 PolarHBondContact OE1-NE 2.95Å; E324-R327 IonicContact OE1-NH2 3.88Å; E324-R327 PolarHBondContact OE1-NH2 3.4Å; E324-R327 WeakPolarHBondContact OE2-CD 3.47Å; E324-R327 IonicContact OE2-CZ 2.93Å; E324-R327 IonicContact OE2-NE 3.49Å; E324-R327 PolarHBondContact OE2-NE 3.31Å; E324-R327 IonicContact OE2-NH2 2.7Å; E324-K328 PolarHBondContact O-N 2.97Å; E324-K328 VanDerWaalsContact OE1-CE 3.32Å; E324-K328 WeakPolarHBondContact OE1-CE 3.13Å
325D98.9Very high97.4Very high16 Ų1638.6 Ų38.69%0.08622%0.217CC..Hα-helixtrans-60.4-45.5173.9-74-21.5000111.6A321 F322 L323 R327 K328 A329 S408 R411 T412A321-D325 PolarHBondContact O-N 2.8Å; F322-D325 HydrophobicContact CD2-CB 4.22Å; F322-D325 WeakPolarHBondContact O-CB 3.49Å; F322-D325 PolarHBondContact O-N 2.9Å; F322-D325 VanDerWaalsContact O-N 3.17Å; L323-D325 VanDerWaalsContact C-N 3.33Å; D325-R327 VanDerWaalsContact C-N 3.33Å; D325-R327 PolarHBondContact O-N 3.4Å; D325-K328 PolarHBondContact O-N 3.31Å; D325-A329 WeakPolarHBondContact O-CB 3.21Å; D325-A329 PolarHBondContact O-N 3.4Å; D325-S408 WeakPolarHBondContact OD1-CA 3.28Å; D325-S408 WeakPolarHBondContact OD1-CB 3.18Å; D325-S408 PolarHBondContact OD1-OG 3.18Å; D325-R411 IonicContact OD1-CZ 3.19Å; D325-R411 IonicContact OD1-NE 3.64Å; D325-R411 PolarHBondContact OD1-NE 3.15Å; D325-R411 IonicContact OD1-NH2 3.09Å; D325-R411 PolarHBondContact OD1-NH2 3.47Å; D325-R411 IonicContact OD2-CZ 3.37Å; D325-R411 IonicContact OD2-NE 3.79Å; D325-R411 PolarHBondContact OD2-NE 3.27Å; D325-R411 IonicContact OD2-NH2 2.72Å; D325-T412 VanDerWaalsContact C-OG1 3.22Å; D325-T412 PolarHBondContact O-OG1 2.92Å
326I98.9Very high97.7Very high0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-59.6-44.1175.3-65165.5000110.7A204 L207 M208 L212 W226 F322 L323 E324 K328 A329 L330 T412A204-I326 HydrophobicContact CB-CG2 3.61Å; L207-I326 HydrophobicContact CB-CD1 3.78Å; L207-I326 HydrophobicContact CB-CG1 4.28Å; L207-I326 HydrophobicContact CD1-CG1 4.28Å; M208-I326 HydrophobicContact CG-CD1 4.01Å; L212-I326 HydrophobicContact CD1-CD1 4.08Å; W226-I326 HydrophobicContact CH2-CB 4.4Å; W226-I326 HydrophobicContact CH2-CG2 3.74Å; W226-I326 HydrophobicContact CZ2-CG2 4.39Å; F322-I326 HydrophobicContact CD1-CD1 3.89Å; F322-I326 HydrophobicContact CD1-CG1 4.27Å; F322-I326 HydrophobicContact CE1-CD1 3.81Å; F322-I326 HydrophobicContact CE1-CG1 4.07Å; F322-I326 HydrophobicContact CZ-CG1 4.46Å; F322-I326 WeakPolarHBondContact O-CG1 3.45Å; F322-I326 PolarHBondContact O-N 3.36Å; L323-I326 PolarHBondContact O-N 2.66Å; E324-I326 PolarHBondContact O-N 3.02Å; I326-K328 PolarHBondContact O-N 3.18Å; I326-A329 WeakPolarHBondContact O-CB 3.48Å; I326-A329 PolarHBondContact O-N 3.27Å; I326-L330 WeakPolarHBondContact O-CB 3.33Å; I326-L330 PolarHBondContact O-N 2.9Å; I326-T412 HydrophobicContact CG1-CG2 4.13Å; I326-T412 PolarHBondContact N-OG1 2.84Å
327R98.9Very high98.2Very high19 Ų1928.6 Ų28.67%0.07217%0.165CC..Hα-helixtrans-59.1-47.1178.5-167.7-165.37082.82.6111.7W226 T229 E230 L231 L323 E324 D325 L330 Y331W226-R327 HydrophobicContact CB-CG 4.5Å; W226-R327 HydrophobicContact CD2-CB 4.21Å; W226-R327 HydrophobicContact CD2-CG 3.84Å; W226-R327 HydrophobicContact CG-CG 3.75Å; W226-R327 HydrophobicContact CZ2-CB 3.9Å; W226-R327 HydrophobicContact CZ2-CG 4.45Å; T229-R327 PolarHBondContact OG1-NH1 3.02Å; E230-R327 IonicContact OE2-CZ 2.79Å; E230-R327 IonicContact OE2-NH1 3.64Å; E230-R327 PolarHBondContact OE2-NH1 3.34Å; E230-R327 IonicContact OE2-NH2 2.8Å; L231-R327 HydrophobicContact CD1-CG 3.54Å; L323-R327 PolarHBondContact O-N 2.63Å; E324-R327 WeakPolarHBondContact O-CB 3.47Å; E324-R327 PolarHBondContact O-N 2.78Å; E324-R327 IonicContact OE1-CZ 3.69Å; E324-R327 IonicContact OE1-NE 2.64Å; E324-R327 PolarHBondContact OE1-NE 2.95Å; E324-R327 IonicContact OE1-NH2 3.88Å; E324-R327 PolarHBondContact OE1-NH2 3.4Å; E324-R327 WeakPolarHBondContact OE2-CD 3.47Å; E324-R327 IonicContact OE2-CZ 2.93Å; E324-R327 IonicContact OE2-NE 3.49Å; E324-R327 PolarHBondContact OE2-NE 3.31Å; E324-R327 IonicContact OE2-NH2 2.7Å; D325-R327 VanDerWaalsContact C-N 3.33Å; D325-R327 PolarHBondContact O-N 3.4Å; R327-L330 WeakPolarHBondContact O-CB 3.47Å; R327-L330 PolarHBondContact O-N 2.9Å; R327-Y331 PolarHBondContact O-N 3.5Å
328K98.9Very high98.5Very high51 Ų5126.7 Ų26.722%0.22215%0.146CC..Hα-helixtrans-67.8-38177.9-76.4-176.9165.4-158.70112.5E324 D325 I326 L330 Y331 A332 D404 C405 S408E324-K328 PolarHBondContact O-N 2.97Å; E324-K328 VanDerWaalsContact OE1-CE 3.32Å; E324-K328 WeakPolarHBondContact OE1-CE 3.13Å; D325-K328 PolarHBondContact O-N 3.31Å; I326-K328 PolarHBondContact O-N 3.18Å; K328-L330 VanDerWaalsContact C-N 3.34Å; K328-Y331 PolarHBondContact O-N 3.04Å; K328-A332 WeakPolarHBondContact O-CB 3.32Å; K328-A332 PolarHBondContact O-N 3.17Å; K328-D404 PolarHBondContact NZ-O 2.66Å; K328-C405 HydrophobicContact CB-CB 4.05Å; K328-S408 WeakPolarHBondContact CD-OG 3.5Å
329A98.9Very high98.6Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-60.5-44.3173.400000111.8D325 I326 S333 W409 T412D325-A329 WeakPolarHBondContact O-CB 3.21Å; D325-A329 PolarHBondContact O-N 3.4Å; I326-A329 WeakPolarHBondContact O-CB 3.48Å; I326-A329 PolarHBondContact O-N 3.27Å; A329-S333 VanDerWaalsContact O-CB 3.26Å; A329-S333 WeakPolarHBondContact O-CB 3.48Å; A329-S333 PolarHBondContact O-N 2.99Å; A329-S333 PolarHBondContact O-OG 3.28Å; A329-W409 HydrophobicContact CB-CB 4.34Å; A329-W409 HydrophobicContact CB-CG 4.35Å; A329-T412 HydrophobicContact CB-CG2 3.83Å
330L98.9Very high98.7Very high4 Ų416.3 Ų16.32%0.02110%0.095CC..Hα-helixtrans-59.8-48.1174.3173.458.3000111.1L200 I201 A204 W226 L231 I236 I326 R327 K328 S333 K334 F426L200-L330 HydrophobicContact CB-CD1 3.49Å; L200-L330 VanDerWaalsContact CB-CD1 3.49Å; I201-L330 HydrophobicContact CG1-CD1 4.39Å; A204-L330 HydrophobicContact CB-CD2 4.24Å; W226-L330 HydrophobicContact CE3-CD2 4.11Å; W226-L330 HydrophobicContact CZ3-CD2 3.98Å; L231-L330 HydrophobicContact CD1-CD2 3.81Å; L231-L330 HydrophobicContact CD1-CG 4.18Å; L231-L330 HydrophobicContact CD2-CD2 4.43Å; L231-L330 HydrophobicContact CD2-CG 4.15Å; I236-L330 HydrophobicContact CD1-CD2 4.13Å; I326-L330 WeakPolarHBondContact O-CB 3.33Å; I326-L330 PolarHBondContact O-N 2.9Å; R327-L330 WeakPolarHBondContact O-CB 3.47Å; R327-L330 PolarHBondContact O-N 2.9Å; K328-L330 VanDerWaalsContact C-N 3.34Å; L330-S333 PolarHBondContact O-N 2.94Å; L330-K334 WeakPolarHBondContact O-CB 3.48Å; L330-K334 PolarHBondContact O-N 3.49Å; L330-F426 HydrophobicContact CB-CE1 4.24Å; L330-F426 HydrophobicContact CB-CZ 4.15Å; L330-F426 HydrophobicContact CD1-CE1 4.29Å
331Y98.9Very high98.8Very high10 Ų1013.1 Ų13.14%0.0397%0.069CC..Hα-helixtrans-64.2-47.8179.9-175.3-129.1000113E230 L231 R327 K328 S333 K334 I335 F375 F397 A401E230-Y331 HydrophobicContact CB-CD2 4.27Å; E230-Y331 HydrophobicContact CB-CE1 4.14Å; E230-Y331 HydrophobicContact CB-CE2 3.78Å; E230-Y331 HydrophobicContact CG-CE1 4.35Å; L231-Y331 HydrophobicContact CD2-CD2 3.96Å; L231-Y331 HydrophobicContact CD2-CG 4.44Å; R327-Y331 PolarHBondContact O-N 3.5Å; K328-Y331 PolarHBondContact O-N 3.04Å; Y331-S333 PolarHBondContact O-N 2.67Å; Y331-K334 WeakPolarHBondContact O-CB 3.28Å; Y331-K334 PolarHBondContact O-N 3.42Å; Y331-I335 HydrophobicContact CD1-CD1 4.25Å; Y331-I335 HydrophobicContact CE1-CD1 3.93Å; Y331-I335 HydrophobicContact CE2-CD1 4.29Å; Y331-I335 HydrophobicContact CE2-CG1 4.42Å; Y331-I335 WeakPolarHBondContact O-CG1 3.37Å; Y331-I335 PolarHBondContact O-N 3.5Å; Y331-F375 AromaticContact CE2-CD2 3.78Å; Y331-F375 HydrophobicContact CE2-CD2 3.78Å; Y331-F375 AromaticContact CE2-CE2 3.85Å; Y331-F375 HydrophobicContact CE2-CE2 3.85Å; Y331-F397 WeakPolarHBondContact OH-CZ 3.48Å; Y331-A401 HydrophobicContact CE1-CB 3.85Å
332A98.9Very high98.8Very high0 Ų011.1 Ų11.10%05%0.051CC..Hα-helixtrans-60-46.1176.900000111.6K328 K334 I335 I336 C405 W409K328-A332 WeakPolarHBondContact O-CB 3.32Å; K328-A332 PolarHBondContact O-N 3.17Å; A332-K334 VanDerWaalsContact C-N 3.31Å; A332-K334 PolarHBondContact O-N 2.73Å; A332-I335 WeakPolarHBondContact O-CB 3.27Å; A332-I335 PolarHBondContact O-N 3.22Å; A332-I335 VanDerWaalsContact O-N 3.14Å; A332-I336 WeakPolarHBondContact O-CG1 3.44Å; A332-I336 PolarHBondContact O-N 2.94Å; A332-I336 VanDerWaalsContact O-N 3.12Å; A332-C405 HydrophobicContact CB-CB 3.81Å; A332-W409 HydrophobicContact CB-CD2 3.89Å; A332-W409 HydrophobicContact CB-CE3 3.83Å; A332-W409 HydrophobicContact CB-CG 4.26Å; A332-W409 HydrophobicContact CB-CZ3 4.25Å
333S98.9Very high98.8Very high0 Ų011.8 Ų11.80%06%0.055CC..Hα-helixtrans-65.5-35.6179.6-560000112.2L200 L283 A329 L330 Y331 I336 S337 W409 F426L200-S333 VanDerWaalsContact CD2-CB 3.45Å; L283-S333 VanDerWaalsContact CD1-O 3.31Å; L283-S333 WeakPolarHBondContact CD1-O 3.38Å; A329-S333 VanDerWaalsContact O-CB 3.26Å; A329-S333 WeakPolarHBondContact O-CB 3.48Å; A329-S333 PolarHBondContact O-N 2.99Å; A329-S333 PolarHBondContact O-OG 3.28Å; L330-S333 PolarHBondContact O-N 2.94Å; Y331-S333 PolarHBondContact O-N 2.67Å; S333-I336 WeakPolarHBondContact O-CB 3.29Å; S333-I336 PolarHBondContact O-N 3.29Å; S333-S337 PolarHBondContact O-N 3.14Å; S333-W409 PolarHBondContact OG-NE1 3.47Å; S333-W409 VanDerWaalsContact OG-NE1 3.09Å; S333-F426 VanDerWaalsContact OG-CD1 3.3Å; S333-F426 WeakPolarHBondContact OG-CD1 3.5Å
334K98.8Very high98.8Very high9 Ų910.2 Ų10.24%0.0395%0.046CC..Hα-helixtrans-59.9-46.9171.4180169.6-173.2174.60110.9D197 L200 L330 Y331 A332 I336 S337 Y338 F375D197-K334 WeakPolarHBondContact OD1-CG 3.5Å; D197-K334 IonicContact OD2-NZ 2.73Å; L200-K334 HydrophobicContact CD1-CB 4.27Å; L330-K334 WeakPolarHBondContact O-CB 3.48Å; L330-K334 PolarHBondContact O-N 3.49Å; Y331-K334 WeakPolarHBondContact O-CB 3.28Å; Y331-K334 PolarHBondContact O-N 3.42Å; A332-K334 VanDerWaalsContact C-N 3.31Å; A332-K334 PolarHBondContact O-N 2.73Å; K334-I336 VanDerWaalsContact C-N 3.25Å; K334-I336 PolarHBondContact O-N 3.43Å; K334-S337 WeakPolarHBondContact O-CB 3.35Å; K334-S337 PolarHBondContact O-N 2.84Å; K334-S337 VanDerWaalsContact O-N 3.09Å; K334-Y338 HydrophobicContact CD-CE2 4.31Å; K334-Y338 HydrophobicContact CG-CD2 3.96Å; K334-Y338 HydrophobicContact CG-CE2 3.72Å; K334-Y338 VanDerWaalsContact O-CD2 3.27Å; K334-Y338 WeakPolarHBondContact O-CD2 3.45Å; K334-Y338 PolarHBondContact O-N 2.87Å; K334-Y338 VanDerWaalsContact O-N 3.13Å; K334-F375 HydrophobicContact CG-CE1 4.43Å
335I98.9Very high98.7Very high1 Ų16.9 Ų6.91%0.0053%0.031CC..Hα-helixtrans-54.8-43.8175.6-65.2164.8000111Y331 A332 Y338 A339 F375 L393 F398 A401 V402Y331-I335 HydrophobicContact CD1-CD1 4.25Å; Y331-I335 HydrophobicContact CE1-CD1 3.93Å; Y331-I335 HydrophobicContact CE2-CD1 4.29Å; Y331-I335 HydrophobicContact CE2-CG1 4.42Å; Y331-I335 WeakPolarHBondContact O-CG1 3.37Å; Y331-I335 PolarHBondContact O-N 3.5Å; A332-I335 WeakPolarHBondContact O-CB 3.27Å; A332-I335 PolarHBondContact O-N 3.22Å; A332-I335 VanDerWaalsContact O-N 3.14Å; I335-Y338 PolarHBondContact O-N 3.21Å; I335-A339 WeakPolarHBondContact O-CB 3Å; I335-A339 PolarHBondContact O-N 3.37Å; I335-F375 HydrophobicContact CB-CZ 4.36Å; I335-F375 HydrophobicContact CG1-CE2 3.61Å; I335-F375 HydrophobicContact CG1-CZ 3.72Å; I335-L393 HydrophobicContact CG2-CD2 3.7Å; I335-F398 HydrophobicContact CD1-CD1 4.36Å; I335-F398 HydrophobicContact CG1-CD1 4.13Å; I335-F398 HydrophobicContact CG2-CB 4.15Å; I335-F398 HydrophobicContact CG2-CD1 3.92Å; I335-F398 HydrophobicContact CG2-CG 4.34Å; I335-A401 HydrophobicContact CD1-CB 3.81Å; I335-V402 HydrophobicContact CB-CG2 4.18Å; I335-V402 HydrophobicContact CD1-CG2 3.87Å; I335-V402 HydrophobicContact CG2-CG2 3.87Å
336I98.9Very high98.7Very high0 Ų08.6 Ų8.60%04%0.036CC..Hα-helixtrans-60.8-45.9176.5-58.1-54.9000112.1A332 S333 K334 Y338 A339 Q340 L393 W409 A429 F432 Y433A332-I336 WeakPolarHBondContact O-CG1 3.44Å; A332-I336 PolarHBondContact O-N 2.94Å; A332-I336 VanDerWaalsContact O-N 3.12Å; S333-I336 WeakPolarHBondContact O-CB 3.29Å; S333-I336 PolarHBondContact O-N 3.29Å; K334-I336 VanDerWaalsContact C-N 3.25Å; K334-I336 PolarHBondContact O-N 3.43Å; I336-Y338 VanDerWaalsContact C-N 3.28Å; I336-Y338 PolarHBondContact O-N 2.89Å; I336-A339 PolarHBondContact O-N 3.5Å; I336-Q340 HydrophobicContact CG2-CG 4.27Å; I336-Q340 WeakPolarHBondContact O-CB 3.48Å; I336-Q340 VanDerWaalsContact O-CG 3.31Å; I336-Q340 WeakPolarHBondContact O-CG 3.43Å; I336-Q340 PolarHBondContact O-N 3.23Å; I336-L393 HydrophobicContact CD1-CD1 3.87Å; I336-L393 HydrophobicContact CD1-CD2 4Å; I336-W409 HydrophobicContact CD1-CH2 4.31Å; I336-W409 HydrophobicContact CG1-CH2 3.77Å; I336-W409 HydrophobicContact CG1-CZ2 4.35Å; I336-A429 HydrophobicContact CB-CB 4.04Å; I336-A429 HydrophobicContact CG1-CB 4.18Å; I336-A429 HydrophobicContact CG2-CB 4.13Å; I336-F432 HydrophobicContact CD1-CD1 4.29Å; I336-F432 HydrophobicContact CG2-CB 4.24Å; I336-F432 HydrophobicContact CG2-CD1 3.44Å; I336-F432 VanDerWaalsContact CG2-CD1 3.44Å; I336-F432 HydrophobicContact CG2-CE1 4.12Å; I336-F432 HydrophobicContact CG2-CG 4.09Å; I336-Y433 HydrophobicContact CD1-CD2 4.28Å; I336-Y433 HydrophobicContact CD1-CG 4.48Å
337S98.4Very high98.6Very high0 Ų010.8 Ų10.80%05%0.046CC..Hα-helixtrans-56.3-44.3178.5-167.10000112S333 K334 G341S333-S337 PolarHBondContact O-N 3.14Å; K334-S337 WeakPolarHBondContact O-CB 3.35Å; K334-S337 PolarHBondContact O-N 2.84Å; K334-S337 VanDerWaalsContact O-N 3.09Å; S337-G341 PolarHBondContact O-N 3.43Å
338Y98.8Very high98.4Very high0 Ų09.9 Ų9.90%04%0.043CC..Hα-helixtrans-73.1-40.9-179-78.1-108.7000111I193 D197 K334 I335 I336 Q340 G341 F342 I371 F375 L376 I379I193-Y338 HydrophobicContact CD1-CD1 4.24Å; I193-Y338 HydrophobicContact CD1-CE1 4.48Å; I193-Y338 HydrophobicContact CG2-CD1 4.16Å; I193-Y338 HydrophobicContact CG2-CD2 3.92Å; I193-Y338 HydrophobicContact CG2-CE1 3.68Å; I193-Y338 HydrophobicContact CG2-CE2 3.42Å; I193-Y338 VanDerWaalsContact CG2-CE2 3.42Å; I193-Y338 HydrophobicContact CG2-CG 4.29Å; D197-Y338 WeakPolarHBondContact OD1-CE2 3.48Å; D197-Y338 WeakPolarHBondContact OD2-CE2 3.34Å; D197-Y338 PolarHBondContact OD2-OH 3.02Å; K334-Y338 HydrophobicContact CD-CE2 4.31Å; K334-Y338 HydrophobicContact CG-CD2 3.96Å; K334-Y338 HydrophobicContact CG-CE2 3.72Å; K334-Y338 VanDerWaalsContact O-CD2 3.27Å; K334-Y338 WeakPolarHBondContact O-CD2 3.45Å; K334-Y338 PolarHBondContact O-N 2.87Å; K334-Y338 VanDerWaalsContact O-N 3.13Å; I335-Y338 PolarHBondContact O-N 3.21Å; I336-Y338 VanDerWaalsContact C-N 3.28Å; I336-Y338 PolarHBondContact O-N 2.89Å; Y338-Q340 VanDerWaalsContact C-N 3.29Å; Y338-Q340 PolarHBondContact O-N 3.08Å; Y338-G341 PolarHBondContact O-N 3.09Å; Y338-G341 VanDerWaalsContact O-N 3.14Å; Y338-F342 HydrophobicContact CD1-CE2 4.44Å; Y338-F342 WeakPolarHBondContact O-CD2 3.43Å; Y338-F342 PolarHBondContact O-N 2.75Å; Y338-I371 HydrophobicContact CE1-CD1 4.27Å; Y338-F375 HydrophobicContact CD1-CD1 4.25Å; Y338-F375 AromaticContact CD1-CE1 3.87Å; Y338-F375 HydrophobicContact CD1-CE1 3.87Å; Y338-F375 HydrophobicContact CD2-CD1 4.33Å; Y338-F375 AromaticContact CD2-CE1 3.7Å; Y338-F375 HydrophobicContact CD2-CE1 3.7Å; Y338-F375 HydrophobicContact CE1-CD1 4.18Å; Y338-F375 HydrophobicContact CE1-CE1 4.24Å; Y338-F375 HydrophobicContact CE2-CD1 4.27Å; Y338-F375 HydrophobicContact CE2-CE1 4.09Å; Y338-F375 HydrophobicContact CG-CD1 4.31Å; Y338-F375 AromaticContact CG-CE1 3.57Å; Y338-F375 HydrophobicContact CG-CE1 3.57Å; Y338-L376 HydrophobicContact CD1-CD2 3.96Å; Y338-L376 HydrophobicContact CE1-CD2 3.5Å; Y338-L376 HydrophobicContact CE1-CG 4.27Å; Y338-I379 HydrophobicContact CD1-CD1 3.46Å; Y338-I379 VanDerWaalsContact CD1-CD1 3.46Å; Y338-I379 HydrophobicContact CE1-CD1 4.29Å; Y338-I379 HydrophobicContact CG-CD1 4.03Å
339A98.8Very high98.2Very high0 Ų07.9 Ų7.90%04%0.036CC..Hα-helixtrans-53.9-48173.100000111.2I335 I336 F342 M343 L392 L393I335-A339 WeakPolarHBondContact O-CB 3Å; I335-A339 PolarHBondContact O-N 3.37Å; I336-A339 PolarHBondContact O-N 3.5Å; A339-F342 PolarHBondContact O-N 3.32Å; A339-M343 VanDerWaalsContact O-CG 3.22Å; A339-M343 WeakPolarHBondContact O-CG 3.39Å; A339-M343 PolarHBondContact O-N 3.35Å; A339-L392 HydrophobicContact CB-CB 4.16Å; A339-L393 HydrophobicContact CB-CD1 4.48Å; A339-L393 HydrophobicContact CB-CG 4.03Å
340Q98.8Very high98.1Very high0 Ų013.9 Ų13.90%06%0.062CC..Hα-helixtrans-62.6-42.7175.7-70.4178.4-4.700113P280 V281 T282 I336 Y338 M343 L344 F432P280-Q340 PolarHBondContact O-NE2 3.26Å; V281-Q340 HydrophobicContact CB-CB 4.47Å; V281-Q340 HydrophobicContact CG1-CB 4.08Å; T282-Q340 VanDerWaalsContact N-OE1 3.15Å; T282-Q340 PolarHBondContact OG1-NE2 2.67Å; I336-Q340 HydrophobicContact CG2-CG 4.27Å; I336-Q340 WeakPolarHBondContact O-CB 3.48Å; I336-Q340 VanDerWaalsContact O-CG 3.31Å; I336-Q340 WeakPolarHBondContact O-CG 3.43Å; I336-Q340 PolarHBondContact O-N 3.23Å; Y338-Q340 VanDerWaalsContact C-N 3.29Å; Y338-Q340 PolarHBondContact O-N 3.08Å; Q340-M343 WeakPolarHBondContact O-CB 3.22Å; Q340-M343 PolarHBondContact O-N 2.92Å; Q340-L344 PolarHBondContact O-N 3.16Å; Q340-F432 HydrophobicContact CG-CD1 4.41Å; Q340-F432 HydrophobicContact CG-CD2 4.41Å; Q340-F432 HydrophobicContact CG-CE1 4.17Å; Q340-F432 HydrophobicContact CG-CE2 4.18Å; Q340-F432 HydrophobicContact CG-CZ 4.05Å
341G98.5Very high97.8Very high0 Ų018.6 Ų18.60%08%0.084CC..Hα-helixtrans-61.8-42.8177.200000113S337 Y338 L344 L345S337-G341 PolarHBondContact O-N 3.43Å; Y338-G341 PolarHBondContact O-N 3.09Å; Y338-G341 VanDerWaalsContact O-N 3.14Å; G341-L344 WeakPolarHBondContact O-CB 3.45Å; G341-L344 PolarHBondContact O-N 3.39Å; G341-L345 PolarHBondContact O-N 3.05Å
342F98.6Very high97.5Very high9 Ų920 Ų204%0.0399%0.091CC..Hα-helixtrans-71.6-31.9176-83-93.5000112.6Y338 A339 L344 L345 R346 Y358 I361 A362 W365 I379 F383 L392Y338-F342 HydrophobicContact CD1-CE2 4.44Å; Y338-F342 WeakPolarHBondContact O-CD2 3.43Å; Y338-F342 PolarHBondContact O-N 2.75Å; A339-F342 PolarHBondContact O-N 3.32Å; F342-L344 VanDerWaalsContact C-N 3.29Å; F342-L344 PolarHBondContact O-N 2.89Å; F342-L345 HydrophobicContact CD1-CD1 4.14Å; F342-L345 HydrophobicContact CE1-CD1 4.3Å; F342-L345 HydrophobicContact CG-CD1 4.47Å; F342-L345 PolarHBondContact O-N 3.48Å; F342-R346 WeakPolarHBondContact O-CB 3.39Å; F342-R346 PolarHBondContact O-N 3.29Å; F342-Y358 HydrophobicContact CD1-CD1 4.14Å; F342-Y358 HydrophobicContact CD1-CG 4.32Å; F342-I361 HydrophobicContact CE1-CG2 4.48Å; F342-I361 HydrophobicContact CZ-CG2 4.46Å; F342-A362 HydrophobicContact CZ-CB 4.21Å; F342-W365 HydrophobicContact CE2-CE3 4.28Å; F342-W365 AromaticContact CE2-CZ3 3.69Å; F342-W365 HydrophobicContact CE2-CZ3 3.69Å; F342-W365 HydrophobicContact CZ-CE3 4.21Å; F342-W365 AromaticContact CZ-CZ3 3.8Å; F342-W365 HydrophobicContact CZ-CZ3 3.8Å; F342-I379 HydrophobicContact CE1-CG2 4.15Å; F342-I379 HydrophobicContact CE2-CD1 3.91Å; F342-I379 HydrophobicContact CE2-CG2 3.86Å; F342-I379 HydrophobicContact CZ-CG2 3.65Å; F342-F383 HydrophobicContact CB-CZ 4.47Å; F342-F383 HydrophobicContact CD1-CD2 4.5Å; F342-F383 AromaticContact CD1-CE2 3.41Å; F342-F383 HydrophobicContact CD1-CE2 3.41Å; F342-F383 VanDerWaalsContact CD1-CE2 3.41Å; F342-F383 AromaticContact CD1-CZ 3.67Å; F342-F383 HydrophobicContact CD1-CZ 3.67Å; F342-F383 HydrophobicContact CE1-CD2 4.28Å; F342-F383 AromaticContact CE1-CE2 3.55Å; F342-F383 HydrophobicContact CE1-CE2 3.55Å; F342-F383 HydrophobicContact CE1-CZ 4.26Å; F342-F383 HydrophobicContact CG-CE2 4.11Å; F342-F383 HydrophobicContact CG-CZ 4.28Å; F342-F383 HydrophobicContact CZ-CE2 4.36Å; F342-L392 HydrophobicContact CB-CD1 4.33Å; F342-L392 HydrophobicContact CD2-CD1 3.81Å; F342-L392 HydrophobicContact CE2-CD1 4.43Å; F342-L392 HydrophobicContact CG-CD1 4.18Å
343M98.3Very high97.2Very high25 Ų2522.9 Ų22.912%0.12312%0.12CC..Hα-helixtrans-59.1-42168.7-71.3168.470.300111.5T279 P280 A339 Q340 R346 Q347 N391 F432T279-M343 HydrophobicContact CG2-CB 4.03Å; P280-M343 HydrophobicContact CG-CE 3.92Å; A339-M343 VanDerWaalsContact O-CG 3.22Å; A339-M343 WeakPolarHBondContact O-CG 3.39Å; A339-M343 PolarHBondContact O-N 3.35Å; Q340-M343 WeakPolarHBondContact O-CB 3.22Å; Q340-M343 PolarHBondContact O-N 2.92Å; M343-R346 PolarHBondContact O-N 3.09Å; M343-Q347 PolarHBondContact O-N 3.01Å; M343-N391 PolarHBondContact SD-ND2 3.02Å; M343-F432 HydrophobicContact CE-CZ 4.39Å; M343-F432 HydrophobicContact SD-CE2 4.49Å; M343-F432 HydrophobicContact SD-CZ 3.87Å
344L98.5Very high96.9Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-66-43.7177.4179.560.5000112.2F185 V189 T270 A274 Y277 T279 V281 Q340 G341 F342 R346 Q347 A348F185-L344 HydrophobicContact CE1-CG 4.33Å; F185-L344 HydrophobicContact CZ-CD1 4.32Å; F185-L344 HydrophobicContact CZ-CD2 4.46Å; F185-L344 HydrophobicContact CZ-CG 4.06Å; V189-L344 HydrophobicContact CG2-CD2 3.97Å; V189-L344 HydrophobicContact CG2-CG 4.41Å; T270-L344 HydrophobicContact CG2-CD2 3.67Å; A274-L344 HydrophobicContact CB-CD1 4.28Å; A274-L344 HydrophobicContact CB-CD2 4.38Å; Y277-L344 HydrophobicContact CD2-CD1 4.37Å; T279-L344 HydrophobicContact CG2-CB 4.29Å; V281-L344 HydrophobicContact CG2-CB 3.82Å; V281-L344 HydrophobicContact CG2-CD2 4.17Å; V281-L344 HydrophobicContact CG2-CG 4.4Å; Q340-L344 PolarHBondContact O-N 3.16Å; G341-L344 WeakPolarHBondContact O-CB 3.45Å; G341-L344 PolarHBondContact O-N 3.39Å; F342-L344 VanDerWaalsContact C-N 3.29Å; F342-L344 PolarHBondContact O-N 2.89Å; L344-R346 PolarHBondContact O-N 3.48Å; L344-Q347 PolarHBondContact O-N 3.28Å; L344-A348 WeakPolarHBondContact O-CB 3.21Å; L344-A348 PolarHBondContact O-N 3.12Å
345L98.1Very high96.6Very high0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-57.5-41.3173.3-71.6173.9000111.5F185 V186 V189 G341 F342 A349 L356 Y358 I361 W365F185-L345 HydrophobicContact CD1-CD2 3.85Å; F185-L345 HydrophobicContact CE1-CD2 3.98Å; V186-L345 HydrophobicContact CG2-CD2 3.86Å; V189-L345 HydrophobicContact CB-CD2 4.17Å; V189-L345 HydrophobicContact CB-CG 4.49Å; V189-L345 HydrophobicContact CG1-CD2 4.41Å; V189-L345 HydrophobicContact CG1-CG 4.19Å; V189-L345 HydrophobicContact CG2-CD2 3.9Å; V189-L345 HydrophobicContact CG2-CG 4.37Å; G341-L345 PolarHBondContact O-N 3.05Å; F342-L345 HydrophobicContact CD1-CD1 4.14Å; F342-L345 HydrophobicContact CE1-CD1 4.3Å; F342-L345 HydrophobicContact CG-CD1 4.47Å; F342-L345 PolarHBondContact O-N 3.48Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 3.45Å; L345-L356 HydrophobicContact CB-CD1 4.42Å; L345-L356 HydrophobicContact CD2-CD1 4.47Å; L345-Y358 HydrophobicContact CB-CD1 4.43Å; L345-Y358 HydrophobicContact CB-CE1 4.06Å; L345-I361 HydrophobicContact CD1-CD1 4.24Å; L345-I361 HydrophobicContact CD1-CG2 4.08Å; L345-W365 HydrophobicContact CD1-CH2 3.85Å
346R97.8Very high96.4Very high52 Ų5229.9 Ų29.920%0.19616%0.162CC..Hα-helixtrans-66.9-42177.6-169-169.575.116413.4112.9F342 M343 L344 A349 K350 Y358 Q390F342-R346 WeakPolarHBondContact O-CB 3.39Å; F342-R346 PolarHBondContact O-N 3.29Å; M343-R346 PolarHBondContact O-N 3.09Å; L344-R346 PolarHBondContact O-N 3.48Å; R346-A349 PolarHBondContact O-N 3.41Å; R346-K350 PolarHBondContact O-N 3.3Å; R346-Y358 VanDerWaalsContact CA-OH 3.3Å; R346-Y358 WeakPolarHBondContact CA-OH 3.39Å; R346-Q390 VanDerWaalsContact NH1-C 3.33Å; R346-Q390 VanDerWaalsContact NH1-CB 3.26Å; R346-Q390 PolarHBondContact NH1-O 2.85Å
347Q97.6Very high96.3Very high46 Ų4634.7 Ų34.722%0.21519%0.187CC..Hα-helixtrans-65-46176-17160.825.300110.8T279 M343 L344 A349 K350 E351T279-Q347 WeakPolarHBondContact OG1-CB 3.47Å; M343-Q347 PolarHBondContact O-N 3.01Å; L344-Q347 PolarHBondContact O-N 3.28Å; Q347-A349 VanDerWaalsContact C-N 3.29Å; Q347-A349 PolarHBondContact O-N 3.46Å; Q347-K350 WeakPolarHBondContact O-CA 3.48Å; Q347-K350 WeakPolarHBondContact O-CB 3.4Å; Q347-K350 PolarHBondContact O-N 3.04Å; Q347-E351 HydrophobicContact CG-CG 4.35Å; Q347-E351 PolarHBondContact NE2-OE1 3.4Å; Q347-E351 WeakPolarHBondContact O-CG 3.03Å; Q347-E351 PolarHBondContact O-N 3.3Å
348A94.9Very high96.3Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-59.2-39.4176.300000112.5F185 L344 K350 E351 F352F185-A348 HydrophobicContact CD1-CB 4.08Å; F185-A348 HydrophobicContact CE1-CB 3.42Å; F185-A348 VanDerWaalsContact CE1-CB 3.42Å; F185-A348 HydrophobicContact CE2-CB 3.94Å; F185-A348 HydrophobicContact CZ-CB 3.35Å; L344-A348 WeakPolarHBondContact O-CB 3.21Å; L344-A348 PolarHBondContact O-N 3.12Å; A348-K350 VanDerWaalsContact C-N 3.26Å; A348-K350 PolarHBondContact O-N 3.23Å; A348-E351 PolarHBondContact O-N 2.98Å; A348-F352 HydrophobicContact CB-CD2 4.15Å; A348-F352 HydrophobicContact CB-CE2 4.25Å; A348-F352 WeakPolarHBondContact O-CB 3.4Å; A348-F352 WeakPolarHBondContact O-CD2 3.47Å; A348-F352 PolarHBondContact O-N 3.21Å
349A94.9Very high96.2Very high9 Ų936.4 Ų36.47%0.07419%0.194CC..Hα-helixtrans-57.6-39.5173.700000112.3L345 R346 Q347 G353 W354 L356L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 3.45Å; R346-A349 PolarHBondContact O-N 3.41Å; Q347-A349 VanDerWaalsContact C-N 3.29Å; Q347-A349 PolarHBondContact O-N 3.46Å; A349-G353 CarbonylContact O-C 3.53Å; A349-G353 WeakPolarHBondContact O-CA 3.31Å; A349-G353 PolarHBondContact O-N 3.05Å; A349-W354 WeakPolarHBondContact CB-O 3.3Å; A349-W354 PolarHBondContact O-N 3.04Å; A349-L356 HydrophobicContact CB-CD1 4.01Å; A349-L356 HydrophobicContact CB-CG 4.04Å
350K95.2Very high96Very high126 Ų12636.9 Ų36.955%0.54820%0.199SC..Hα-helixtrans-69.5-48175.5-65.9177.7-178.7-174.50112.2R346 Q347 A348 F352 G353R346-K350 PolarHBondContact O-N 3.3Å; Q347-K350 WeakPolarHBondContact O-CA 3.48Å; Q347-K350 WeakPolarHBondContact O-CB 3.4Å; Q347-K350 PolarHBondContact O-N 3.04Å; A348-K350 VanDerWaalsContact C-N 3.26Å; A348-K350 PolarHBondContact O-N 3.23Å; K350-F352 VanDerWaalsContact C-N 3.31Å; K350-F352 PolarHBondContact O-N 3.48Å; K350-G353 PolarHBondContact O-N 3.05Å
351E93.8Very high96Very high103 Ų10337 Ų3748%0.48120%0.199SC..Hα-helixtrans-60.6-40.3-178.4-65.5-58.3152.200112.3Y277 Q347 A348Y277-E351 HydrophobicContact CD1-CG 3.81Å; Y277-E351 HydrophobicContact CE1-CG 4.34Å; Y277-E351 HydrophobicContact CG-CG 4.23Å; Q347-E351 HydrophobicContact CG-CG 4.35Å; Q347-E351 PolarHBondContact NE2-OE1 3.4Å; Q347-E351 WeakPolarHBondContact O-CG 3.03Å; Q347-E351 PolarHBondContact O-N 3.3Å; A348-E351 PolarHBondContact O-N 2.98Å
352F91.3Very high95.9Very high41 Ų4137 Ų3718%0.1820%0.199CC..Hα-helixtrans-100.4-0.1-175.4-59.6-59.7000114.4Y106 Y277 A348 K350 W354Y106-F352 HydrophobicContact CD2-CE2 4.39Å; Y106-F352 HydrophobicContact CD2-CZ 4.34Å; Y106-F352 AromaticContact CE2-CE2 3.94Å; Y106-F352 HydrophobicContact CE2-CE2 3.94Å; Y106-F352 AromaticContact CE2-CZ 3.8Å; Y106-F352 HydrophobicContact CE2-CZ 3.8Å; Y277-F352 HydrophobicContact CE1-CZ 4.35Å; Y277-F352 HydrophobicContact CE2-CE2 4.27Å; Y277-F352 HydrophobicContact CE2-CZ 4.4Å; Y277-F352 AromaticContact CZ-CZ 3.75Å; Y277-F352 VanDerWaalsContact OH-CZ 3.22Å; Y277-F352 WeakPolarHBondContact OH-CZ 3.29Å; A348-F352 HydrophobicContact CB-CD2 4.15Å; A348-F352 HydrophobicContact CB-CE2 4.25Å; A348-F352 WeakPolarHBondContact O-CB 3.4Å; A348-F352 WeakPolarHBondContact O-CD2 3.47Å; A348-F352 PolarHBondContact O-N 3.21Å; K350-F352 VanDerWaalsContact C-N 3.31Å; K350-F352 PolarHBondContact O-N 3.48Å; F352-W354 HydrophobicContact CB-CD2 3.66Å; F352-W354 VanDerWaalsContact CB-CE2 3.47Å; F352-W354 HydrophobicContact CB-CE3 4.19Å; F352-W354 HydrophobicContact CB-CG 3.94Å; F352-W354 HydrophobicContact CB-CH2 4.37Å; F352-W354 HydrophobicContact CB-CZ2 3.87Å; F352-W354 HydrophobicContact CD2-CD2 4.31Å; F352-W354 HydrophobicContact CD2-CE3 4.03Å; F352-W354 AromaticContact CD2-CH2 3.53Å; F352-W354 HydrophobicContact CD2-CH2 3.53Å; F352-W354 AromaticContact CD2-CZ2 3.84Å; F352-W354 HydrophobicContact CD2-CZ2 3.84Å; F352-W354 AromaticContact CD2-CZ3 3.63Å; F352-W354 HydrophobicContact CD2-CZ3 3.63Å; F352-W354 HydrophobicContact CE2-CH2 4.01Å; F352-W354 HydrophobicContact CE2-CZ3 4.27Å; F352-W354 HydrophobicContact CG-CD2 4.34Å; F352-W354 AromaticContact CG-CE2 3.98Å; F352-W354 HydrophobicContact CG-CH2 4.04Å; F352-W354 AromaticContact CG-CZ2 3.84Å; F352-W354 HydrophobicContact CG-CZ2 3.84Å; F352-W354 HydrophobicContact CG-CZ3 4.37Å; F352-W354 PolarHBondContact O-N 3.44Å
353G93Very high95.7Very high60 Ų6037.7 Ų37.762%0.61920%0.203SC*.THydrogen-bonded Turntrans62.623.2-17500000114A349 K350A349-G353 CarbonylContact O-C 3.53Å; A349-G353 WeakPolarHBondContact O-CA 3.31Å; A349-G353 PolarHBondContact O-N 3.05Å; K350-G353 PolarHBondContact O-N 3.05Å
354W93.2Very high95.7Very high13 Ų1336.6 Ų36.65%0.04920%0.198CC..  trans-76.7140.3177.8-61.8-23.5000111.2D179 A182 F185 A349 F352 L356D179-W354 PolarHBondContact O-NE1 2.86Å; A182-W354 HydrophobicContact CB-CD2 3.84Å; A182-W354 HydrophobicContact CB-CE3 3.88Å; A182-W354 HydrophobicContact CB-CG 4.33Å; A182-W354 HydrophobicContact CB-CZ2 4.49Å; A182-W354 HydrophobicContact CB-CZ3 4.24Å; F185-W354 HydrophobicContact CB-CH2 3.93Å; F185-W354 HydrophobicContact CB-CZ3 3.71Å; F185-W354 HydrophobicContact CD1-CZ3 4.32Å; F185-W354 HydrophobicContact CD2-CH2 4.42Å; F185-W354 HydrophobicContact CD2-CZ3 4.27Å; F185-W354 HydrophobicContact CG-CH2 4.28Å; F185-W354 AromaticContact CG-CZ3 3.85Å; F185-W354 HydrophobicContact CG-CZ3 3.85Å; A349-W354 WeakPolarHBondContact CB-O 3.3Å; A349-W354 PolarHBondContact O-N 3.04Å; F352-W354 HydrophobicContact CB-CD2 3.66Å; F352-W354 VanDerWaalsContact CB-CE2 3.47Å; F352-W354 HydrophobicContact CB-CE3 4.19Å; F352-W354 HydrophobicContact CB-CG 3.94Å; F352-W354 HydrophobicContact CB-CH2 4.37Å; F352-W354 HydrophobicContact CB-CZ2 3.87Å; F352-W354 HydrophobicContact CD2-CD2 4.31Å; F352-W354 HydrophobicContact CD2-CE3 4.03Å; F352-W354 AromaticContact CD2-CH2 3.53Å; F352-W354 HydrophobicContact CD2-CH2 3.53Å; F352-W354 AromaticContact CD2-CZ2 3.84Å; F352-W354 HydrophobicContact CD2-CZ2 3.84Å; F352-W354 AromaticContact CD2-CZ3 3.63Å; F352-W354 HydrophobicContact CD2-CZ3 3.63Å; F352-W354 HydrophobicContact CE2-CH2 4.01Å; F352-W354 HydrophobicContact CE2-CZ3 4.27Å; F352-W354 HydrophobicContact CG-CD2 4.34Å; F352-W354 AromaticContact CG-CE2 3.98Å; F352-W354 HydrophobicContact CG-CH2 4.04Å; F352-W354 AromaticContact CG-CZ2 3.84Å; F352-W354 HydrophobicContact CG-CZ2 3.84Å; F352-W354 HydrophobicContact CG-CZ3 4.37Å; F352-W354 PolarHBondContact O-N 3.44Å; W354-L356 HydrophobicContact CB-CD2 4.04Å; W354-L356 HydrophobicContact CB-CG 4.18Å; W354-L356 HydrophobicContact CE3-CD2 4.44Å; W354-L356 PolarHBondContact O-N 3.22Å
355T92.9Very high95.7Very high128 Ų12836.6 Ų36.679%0.78520%0.198SC*.  trans-9495.5167.3-55.20000109.1
356L95.1Very high95.5Very high16 Ų1640.6 Ų40.68%0.08421%0.213CC..  trans-93.7134.3179.2-60.2-173.9000111.2V177 A182 L345 A349 W354 Y358 I361V177-L356 HydrophobicContact CG1-CD2 4.15Å; V177-L356 WeakPolarHBondContact O-CD2 3.32Å; A182-L356 HydrophobicContact CB-CD2 4.04Å; L345-L356 HydrophobicContact CB-CD1 4.42Å; L345-L356 HydrophobicContact CD2-CD1 4.47Å; A349-L356 HydrophobicContact CB-CD1 4.01Å; A349-L356 HydrophobicContact CB-CG 4.04Å; W354-L356 HydrophobicContact CB-CD2 4.04Å; W354-L356 HydrophobicContact CB-CG 4.18Å; W354-L356 HydrophobicContact CE3-CD2 4.44Å; W354-L356 PolarHBondContact O-N 3.22Å; L356-Y358 HydrophobicContact CB-CD1 4.42Å; L356-Y358 HydrophobicContact CB-CE1 3.91Å; L356-Y358 HydrophobicContact CD1-CE1 4.37Å; L356-I361 HydrophobicContact CB-CD1 4.18Å; L356-I361 HydrophobicContact CD1-CD1 4.41Å
357N96.4Very high95.3Very high101 Ų10138.5 Ų38.554%0.5421%0.207SC..  trans-94.9101.4169.9-176.9-28.6000109.9G359 A360 I361N357-G359 VanDerWaalsContact C-N 3.33Å; N357-G359 PolarHBondContact O-N 3.08Å; N357-G359 PolarHBondContact OD1-N 3.17Å; N357-G359 VanDerWaalsContact OD1-N 3.11Å; N357-A360 HydrophobicContact CB-CB 3.85Å; N357-A360 PolarHBondContact O-N 3.28Å; N357-A360 PolarHBondContact OD1-N 2.93Å; N357-I361 WeakPolarHBondContact O-CG1 3.47Å; N357-I361 PolarHBondContact O-N 3.45Å
358Y97.6Very high95.1Very high33 Ų3336.8 Ų36.813%0.12920%0.202CC..Hα-helixtrans-65.5-33.4-176.9-54.1-57.4000113.3F342 L345 R346 L356 I361 A362 F383F342-Y358 HydrophobicContact CD1-CD1 4.14Å; F342-Y358 HydrophobicContact CD1-CG 4.32Å; L345-Y358 HydrophobicContact CB-CD1 4.43Å; L345-Y358 HydrophobicContact CB-CE1 4.06Å; R346-Y358 VanDerWaalsContact CA-OH 3.3Å; R346-Y358 WeakPolarHBondContact CA-OH 3.39Å; L356-Y358 HydrophobicContact CB-CD1 4.42Å; L356-Y358 HydrophobicContact CB-CE1 3.91Å; L356-Y358 HydrophobicContact CD1-CE1 4.37Å; Y358-I361 HydrophobicContact CD1-CD1 4.39Å; Y358-I361 PolarHBondContact O-N 3.44Å; Y358-A362 WeakPolarHBondContact O-CB 3.31Å; Y358-A362 PolarHBondContact O-N 2.91Å; Y358-F383 HydrophobicContact CD2-CD1 4.08Å; Y358-F383 AromaticContact CD2-CE1 3.74Å; Y358-F383 HydrophobicContact CD2-CE1 3.74Å; Y358-F383 HydrophobicContact CD2-CZ 4.24Å; Y358-F383 HydrophobicContact CG-CD1 4.33Å; Y358-F383 AromaticContact CG-CE1 3.97Å; Y358-F383 HydrophobicContact CG-CE1 3.97Å; Y358-F383 HydrophobicContact CG-CE2 4.45Å; Y358-F383 HydrophobicContact CG-CZ 4.04Å
359G96.3Very high95.2Very high2 Ų236.8 Ų36.82%0.02120%0.202CC..Hα-helixtrans-64.4-42.217300000112.2N357 A362 L363N357-G359 VanDerWaalsContact C-N 3.33Å; N357-G359 PolarHBondContact O-N 3.08Å; N357-G359 PolarHBondContact OD1-N 3.17Å; N357-G359 VanDerWaalsContact OD1-N 3.11Å; G359-A362 PolarHBondContact O-N 2.92Å; G359-L363 WeakPolarHBondContact O-CB 3.26Å; G359-L363 PolarHBondContact O-N 2.76Å
360A95.5Very high95.2Very high11 Ų1137.8 Ų37.89%0.09121%0.206CC..Hα-helixtrans-66.8-38.3174.600000112N357 L363 M364N357-A360 HydrophobicContact CB-CB 3.85Å; N357-A360 PolarHBondContact O-N 3.28Å; N357-A360 PolarHBondContact OD1-N 2.93Å; A360-L363 WeakPolarHBondContact O-CB 3.13Å; A360-L363 PolarHBondContact O-N 3.41Å; A360-M364 WeakPolarHBondContact O-CG 3.31Å; A360-M364 PolarHBondContact O-N 3.08Å
361I97.9Very high95.3Very high1 Ų131.9 Ų31.91%0.00518%0.18CC..Hα-helixtrans-61.4-46.4173.2-68.6166.3000110.7V186 F342 L345 L356 N357 Y358 L363 M364 W365V186-I361 HydrophobicContact CG1-CG1 4.24Å; V186-I361 HydrophobicContact CG1-CG2 3.84Å; V186-I361 HydrophobicContact CG2-CD1 3.75Å; V186-I361 HydrophobicContact CG2-CG1 4.17Å; F342-I361 HydrophobicContact CE1-CG2 4.48Å; F342-I361 HydrophobicContact CZ-CG2 4.46Å; L345-I361 HydrophobicContact CD1-CD1 4.24Å; L345-I361 HydrophobicContact CD1-CG2 4.08Å; L356-I361 HydrophobicContact CB-CD1 4.18Å; L356-I361 HydrophobicContact CD1-CD1 4.41Å; N357-I361 WeakPolarHBondContact O-CG1 3.47Å; N357-I361 PolarHBondContact O-N 3.45Å; Y358-I361 HydrophobicContact CD1-CD1 4.39Å; Y358-I361 PolarHBondContact O-N 3.44Å; I361-L363 VanDerWaalsContact C-N 3.31Å; I361-L363 PolarHBondContact O-N 3.22Å; I361-M364 HydrophobicContact CB-CE 4.43Å; I361-M364 HydrophobicContact CG1-CE 3.97Å; I361-M364 PolarHBondContact O-N 2.74Å; I361-W365 HydrophobicContact CG2-CD2 3.94Å; I361-W365 HydrophobicContact CG2-CE3 4.03Å; I361-W365 HydrophobicContact CG2-CH2 3.67Å; I361-W365 HydrophobicContact CG2-CZ2 3.52Å; I361-W365 HydrophobicContact CG2-CZ3 3.9Å; I361-W365 PolarHBondContact O-N 3.43Å; I361-W365 VanDerWaalsContact O-N 3.1Å
362A97.1Very high95.4Very high0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-60.8-39.8175.200000112.1F342 Y358 G359 W365 R366 I379 K380F342-A362 HydrophobicContact CZ-CB 4.21Å; Y358-A362 WeakPolarHBondContact O-CB 3.31Å; Y358-A362 PolarHBondContact O-N 2.91Å; G359-A362 PolarHBondContact O-N 2.92Å; A362-W365 PolarHBondContact O-N 3.43Å; A362-R366 PolarHBondContact O-N 3.44Å; A362-R366 VanDerWaalsContact O-N 3.1Å; A362-I379 HydrophobicContact CB-CB 4.07Å; A362-I379 HydrophobicContact CB-CG2 3.73Å; A362-K380 HydrophobicContact CB-CB 4.09Å
363L95.3Very high95.5Very high25 Ų2528.5 Ų28.513%0.13116%0.163CC..Hα-helixtrans-61.6-47.5173.7178.366.6000111.8V167 E171 G359 A360 I361 W365 R366 K380V167-L363 HydrophobicContact CG2-CD1 3.61Å; E171-L363 HydrophobicContact CB-CD1 4.33Å; E171-L363 HydrophobicContact CB-CD2 4.43Å; G359-L363 WeakPolarHBondContact O-CB 3.26Å; G359-L363 PolarHBondContact O-N 2.76Å; A360-L363 WeakPolarHBondContact O-CB 3.13Å; A360-L363 PolarHBondContact O-N 3.41Å; I361-L363 VanDerWaalsContact C-N 3.31Å; I361-L363 PolarHBondContact O-N 3.22Å; L363-W365 PolarHBondContact O-N 2.86Å; L363-R366 VanDerWaalsContact O-CB 3.24Å; L363-R366 WeakPolarHBondContact O-CB 3.42Å; L363-R366 PolarHBondContact O-N 3.11Å; L363-K380 HydrophobicContact CB-CD 4.2Å; L363-K380 HydrophobicContact CD1-CD 4.28Å
364M97.2Very high95.4Very high2 Ų228.9 Ų28.91%0.0115%0.153CC..Hα-helixtrans-58.7-31.8177.8-76.8-174.7-76.200112.2S143 M145 D175 V177 A360 I361S143-M364 VanDerWaalsContact CB-O 3.29Å; S143-M364 WeakPolarHBondContact CB-O 3.3Å; S143-M364 PolarHBondContact OG-O 2.8Å; M145-M364 HydrophobicContact CB-SD 4.46Å; M145-M364 HydrophobicContact CG-SD 4.26Å; D175-M364 PolarHBondContact N-SD 2.74Å; D175-M364 VanDerWaalsContact N-SD 3.43Å; V177-M364 HydrophobicContact CG2-CE 3.65Å; V177-M364 HydrophobicContact CG2-SD 4.03Å; A360-M364 WeakPolarHBondContact O-CG 3.31Å; A360-M364 PolarHBondContact O-N 3.08Å; I361-M364 HydrophobicContact CB-CE 4.43Å; I361-M364 HydrophobicContact CG1-CE 3.97Å; I361-M364 PolarHBondContact O-N 2.74Å
365W98Very high95.4Very high0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-85.6-11.2176.9-61.1-14.5000113.3M145 V186 V189 H190 I193 F342 L345 I361 A362 L363 G367 C369 I371 R372 L376M145-W365 VanDerWaalsContact CE-CD1 3.43Å; M145-W365 VanDerWaalsContact CE-NE1 3.35Å; V186-W365 HydrophobicContact CG1-CZ2 3.56Å; V186-W365 WeakPolarHBondContact O-CZ2 3.49Å; V189-W365 HydrophobicContact CG1-CH2 4.21Å; H190-W365 HydrophobicContact CB-CZ2 3.83Å; H190-W365 AromaticContact CD2-CD1 3.95Å; I193-W365 HydrophobicContact CD1-CH2 3.98Å; I193-W365 HydrophobicContact CD1-CZ3 3.68Å; F342-W365 HydrophobicContact CE2-CE3 4.28Å; F342-W365 AromaticContact CE2-CZ3 3.69Å; F342-W365 HydrophobicContact CE2-CZ3 3.69Å; F342-W365 HydrophobicContact CZ-CE3 4.21Å; F342-W365 AromaticContact CZ-CZ3 3.8Å; F342-W365 HydrophobicContact CZ-CZ3 3.8Å; L345-W365 HydrophobicContact CD1-CH2 3.85Å; I361-W365 HydrophobicContact CG2-CD2 3.94Å; I361-W365 HydrophobicContact CG2-CE3 4.03Å; I361-W365 HydrophobicContact CG2-CH2 3.67Å; I361-W365 HydrophobicContact CG2-CZ2 3.52Å; I361-W365 HydrophobicContact CG2-CZ3 3.9Å; I361-W365 PolarHBondContact O-N 3.43Å; I361-W365 VanDerWaalsContact O-N 3.1Å; A362-W365 PolarHBondContact O-N 3.43Å; L363-W365 PolarHBondContact O-N 2.86Å; W365-G367 PolarHBondContact O-N 2.66Å; W365-C369 VanDerWaalsContact CA-SG 3.56Å; W365-C369 PolarHBondContact O-SG 2.79Å; W365-I371 HydrophobicContact CB-CD1 4.25Å; W365-I371 HydrophobicContact CB-CG1 4.35Å; W365-I371 HydrophobicContact CD2-CD1 4.08Å; W365-I371 HydrophobicContact CE3-CD1 4.07Å; W365-I371 HydrophobicContact CG-CD1 4.19Å; W365-R372 WeakPolarHBondContact O-CA 3.43Å; W365-L376 HydrophobicContact CB-CD1 3.41Å; W365-L376 VanDerWaalsContact CB-CD1 3.41Å; W365-L376 HydrophobicContact CB-CD2 4.39Å; W365-L376 HydrophobicContact CB-CG 4.49Å; W365-L376 HydrophobicContact CE3-CD2 4.44Å; W365-L376 WeakPolarHBondContact O-CD1 3.37Å
366R94.8Very high95.5Very high84 Ų8422.3 Ų22.332%0.31711%0.114SC..SBendtrans-67.2-24.7-173.5-169.1174.4177.3172.61.7113.5V167 A362 L363 L376V167-R366 HydrophobicContact CB-CG 4.4Å; V167-R366 HydrophobicContact CG1-CB 4.25Å; V167-R366 HydrophobicContact CG1-CG 4.12Å; V167-R366 HydrophobicContact CG2-CB 4.37Å; V167-R366 HydrophobicContact CG2-CG 4.42Å; A362-R366 PolarHBondContact O-N 3.44Å; A362-R366 VanDerWaalsContact O-N 3.1Å; L363-R366 VanDerWaalsContact O-CB 3.24Å; L363-R366 WeakPolarHBondContact O-CB 3.42Å; L363-R366 PolarHBondContact O-N 3.11Å; R366-L376 HydrophobicContact CB-CB 4.29Å; R366-L376 HydrophobicContact CG-CB 4.46Å
367G93.8Very high95.5Very high7 Ų721.6 Ų21.67%0.07211%0.111CC..SBendtrans-149162.8-179.800000111.7C173 W365 C369C173-G367 VanDerWaalsContact SG-CA 3.51Å; C173-G367 PolarHBondContact SG-N 2.75Å; C173-G367 VanDerWaalsContact SG-N 3.35Å; C173-G367 PolarHBondContact SG-O 2.97Å; C173-G367 VanDerWaalsContact SG-O 3.39Å; W365-G367 PolarHBondContact O-N 2.66Å; G367-C369 PolarHBondContact O-N 3.49Å
368G93.8Very high95.5Very high10 Ų1020 Ų2010%0.10310%0.099CC..SBendtrans74.4-35.7178.200000115.3G133 G141 A165G133-G368 WeakPolarHBondContact CA-O 3.43Å; G141-G368 WeakPolarHBondContact O-CA 3.37Å; A165-G368 VanDerWaalsContact CB-CA 3.42Å
369C96Very high95.5Very high0 Ų018.5 Ų18.50%09%0.093CC..SBendtrans-82.4174.5178.575.60000113.7S132 H190 W365 G367 R372S132-C369 WeakPolarHBondContact OG-CB 3.46Å; H190-C369 VanDerWaalsContact NE2-CB 3.3Å; H190-C369 WeakPolarHBondContact NE2-CB 3.41Å; W365-C369 VanDerWaalsContact CA-SG 3.56Å; W365-C369 PolarHBondContact O-SG 2.79Å; G367-C369 PolarHBondContact O-N 3.49Å; C369-R372 WeakPolarHBondContact O-CB 3.47Å; C369-R372 WeakPolarHBondContact O-CD 3.27Å; C369-R372 VanDerWaalsContact O-CG 3.28Å; C369-R372 WeakPolarHBondContact O-CG 3.29Å; C369-R372 PolarHBondContact O-NH1 3.4Å
370I96Very high95.5Very high30 Ų3020.4 Ų20.415%0.15410%0.101CC..THydrogen-bonded Turntrans-70.6-40.3-179.4-55.4-55.6000111.6E194 F234 L235 R372E194-I370 HydrophobicContact CG-CB 4.23Å; E194-I370 HydrophobicContact CG-CG2 3.84Å; F234-I370 HydrophobicContact CD1-CG2 4.36Å; F234-I370 WeakPolarHBondContact CD1-O 3.42Å; F234-I370 HydrophobicContact CE1-CD1 4.23Å; F234-I370 HydrophobicContact CE1-CG2 4.47Å; L235-I370 HydrophobicContact CD2-CG2 3.76Å; L235-I370 HydrophobicContact CG-CG2 4.29Å; I370-R372 PolarHBondContact O-N 2.88Å; I370-R372 VanDerWaalsContact O-N 3.15Å
371I97.1Very high95.6Very high2 Ų223.1 Ų23.11%0.0111%0.111CC..THydrogen-bonded Turntrans-80.513.3-178.869.1176.3000114.2I193 E194 Y338 W365 S373 L376I193-I371 HydrophobicContact CB-CD1 4.33Å; I193-I371 HydrophobicContact CG2-CD1 3.95Å; I193-I371 HydrophobicContact CG2-CG2 4.39Å; E194-I371 HydrophobicContact CB-CG2 3.63Å; E194-I371 HydrophobicContact CG-CG2 4.16Å; Y338-I371 HydrophobicContact CE1-CD1 4.27Å; W365-I371 HydrophobicContact CB-CD1 4.25Å; W365-I371 HydrophobicContact CB-CG1 4.35Å; W365-I371 HydrophobicContact CD2-CD1 4.08Å; W365-I371 HydrophobicContact CE3-CD1 4.07Å; W365-I371 HydrophobicContact CG-CD1 4.19Å; I371-S373 PolarHBondContact O-N 3.19Å; I371-L376 HydrophobicContact CG1-CD1 4.34Å
372R94.6Very high95.6Very high66 Ų6623 Ų2325%0.24911%0.111CC..  trans-59.3133-176.567.7-177.3-179.1-85.57.5111.2S233 F234 W365 C369 I370S233-R372 WeakPolarHBondContact CA-O 3.14Å; F234-R372 HydrophobicContact CB-CG 3.65Å; F234-R372 VanDerWaalsContact CD1-NH1 3.33Å; F234-R372 VanDerWaalsContact CG-NH1 3.3Å; F234-R372 VanDerWaalsContact CG-NH2 3.33Å; F234-R372 PolarHBondContact N-O 3.49Å; F234-R372 VanDerWaalsContact N-O 3.15Å; W365-R372 WeakPolarHBondContact O-CA 3.43Å; C369-R372 WeakPolarHBondContact O-CB 3.47Å; C369-R372 WeakPolarHBondContact O-CD 3.27Å; C369-R372 VanDerWaalsContact O-CG 3.28Å; C369-R372 WeakPolarHBondContact O-CG 3.29Å; C369-R372 PolarHBondContact O-NH1 3.4Å; I370-R372 PolarHBondContact O-N 2.88Å; I370-R372 VanDerWaalsContact O-N 3.15Å
373S93.7Very high95.6Very high7 Ų723.7 Ų23.75%0.04911%0.114CC..BIsolated β-bridgetrans-165.6152.9-172.8177.30000111.1D232 I371 F375 L376D232-S373 WeakPolarHBondContact O-CA 3.37Å; D232-S373 WeakPolarHBondContact O-CB 3.47Å; D232-S373 PolarHBondContact O-OG 3.38Å; I371-S373 PolarHBondContact O-N 3.19Å; S373-F375 PolarHBondContact O-N 3.23Å; S373-F375 VanDerWaalsContact O-N 3.16Å; S373-F375 WeakPolarHBondContact OG-CB 3.44Å; S373-F375 PolarHBondContact OG-N 2.82Å; S373-F375 VanDerWaalsContact OG-N 3.12Å; S373-L376 PolarHBondContact O-N 3.32Å; S373-L376 VanDerWaalsContact O-N 3.16Å
374V91.4Very high95.7Very high69 Ų6927.2 Ų27.242%0.41813%0.133SC..Hα-helixtrans-55.8-28.4167.9-58.80000112D232 L376 G377D232-V374 HydrophobicContact CB-CG1 3.99Å; D232-V374 HydrophobicContact CB-CG2 3.81Å; D232-V374 PolarHBondContact O-N 3.5Å; V374-L376 PolarHBondContact O-N 2.78Å; V374-G377 PolarHBondContact O-N 3.16Å
375F92.4Very high95.7Very high3 Ų333.6 Ų33.61%0.01316%0.157CC..Hα-helixtrans-52.7-39.1176.2-175.1-109.8000113.3Y331 K334 I335 Y338 S373 G377 K378 I379 F398Y331-F375 AromaticContact CE2-CD2 3.78Å; Y331-F375 HydrophobicContact CE2-CD2 3.78Å; Y331-F375 AromaticContact CE2-CE2 3.85Å; Y331-F375 HydrophobicContact CE2-CE2 3.85Å; K334-F375 HydrophobicContact CG-CE1 4.43Å; I335-F375 HydrophobicContact CB-CZ 4.36Å; I335-F375 HydrophobicContact CG1-CE2 3.61Å; I335-F375 HydrophobicContact CG1-CZ 3.72Å; Y338-F375 HydrophobicContact CD1-CD1 4.25Å; Y338-F375 AromaticContact CD1-CE1 3.87Å; Y338-F375 HydrophobicContact CD1-CE1 3.87Å; Y338-F375 HydrophobicContact CD2-CD1 4.33Å; Y338-F375 AromaticContact CD2-CE1 3.7Å; Y338-F375 HydrophobicContact CD2-CE1 3.7Å; Y338-F375 HydrophobicContact CE1-CD1 4.18Å; Y338-F375 HydrophobicContact CE1-CE1 4.24Å; Y338-F375 HydrophobicContact CE2-CD1 4.27Å; Y338-F375 HydrophobicContact CE2-CE1 4.09Å; Y338-F375 HydrophobicContact CG-CD1 4.31Å; Y338-F375 AromaticContact CG-CE1 3.57Å; Y338-F375 HydrophobicContact CG-CE1 3.57Å; S373-F375 PolarHBondContact O-N 3.23Å; S373-F375 VanDerWaalsContact O-N 3.16Å; S373-F375 WeakPolarHBondContact OG-CB 3.44Å; S373-F375 PolarHBondContact OG-N 2.82Å; S373-F375 VanDerWaalsContact OG-N 3.12Å; F375-G377 VanDerWaalsContact C-N 3.28Å; F375-G377 PolarHBondContact O-N 2.83Å; F375-K378 WeakPolarHBondContact O-CB 3.43Å; F375-K378 PolarHBondContact O-N 3.15Å; F375-I379 HydrophobicContact CD1-CD1 4.14Å; F375-I379 HydrophobicContact CE1-CD1 3.73Å; F375-I379 HydrophobicContact CE1-CG1 4.22Å; F375-I379 HydrophobicContact CZ-CD1 4.47Å; F375-I379 PolarHBondContact O-N 3.38Å; F375-F398 HydrophobicContact CD2-CE1 4.38Å; F375-F398 HydrophobicContact CE2-CD1 4.17Å; F375-F398 AromaticContact CE2-CE1 3.53Å; F375-F398 HydrophobicContact CE2-CE1 3.53Å; F375-F398 HydrophobicContact CZ-CD1 4.28Å; F375-F398 AromaticContact CZ-CE1 3.64Å; F375-F398 HydrophobicContact CZ-CE1 3.64Å
376L95.4Very high95.7Very high0 Ų037.1 Ų37.10%018%0.176CC..Hα-helixtrans-71.6-24.1-179-73.5174.9000113.3Y338 W365 R366 I371 S373 V374 K378 I379 K380Y338-L376 HydrophobicContact CD1-CD2 3.96Å; Y338-L376 HydrophobicContact CE1-CD2 3.5Å; Y338-L376 HydrophobicContact CE1-CG 4.27Å; W365-L376 HydrophobicContact CB-CD1 3.41Å; W365-L376 VanDerWaalsContact CB-CD1 3.41Å; W365-L376 HydrophobicContact CB-CD2 4.39Å; W365-L376 HydrophobicContact CB-CG 4.49Å; W365-L376 HydrophobicContact CE3-CD2 4.44Å; W365-L376 WeakPolarHBondContact O-CD1 3.37Å; R366-L376 HydrophobicContact CB-CB 4.29Å; R366-L376 HydrophobicContact CG-CB 4.46Å; I371-L376 HydrophobicContact CG1-CD1 4.34Å; S373-L376 PolarHBondContact O-N 3.32Å; S373-L376 VanDerWaalsContact O-N 3.16Å; V374-L376 PolarHBondContact O-N 2.78Å; L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 2.98Å; L376-I379 HydrophobicContact CD2-CD1 3.73Å; L376-I379 HydrophobicContact CD2-CG1 4.5Å; L376-I379 PolarHBondContact O-N 2.76Å; L376-K380 PolarHBondContact O-N 3.27Å
377G94.4Very high95.7Very high1 Ų136.4 Ų36.41%0.0119%0.187CC..Hα-helixtrans-60-40.5167.900000111.4V374 F375 K380 E381V374-G377 PolarHBondContact O-N 3.16Å; F375-G377 VanDerWaalsContact C-N 3.28Å; F375-G377 PolarHBondContact O-N 2.83Å; G377-K380 PolarHBondContact O-N 3.3Å; G377-E381 VanDerWaalsContact O-CG 3.31Å; G377-E381 WeakPolarHBondContact O-CG 3.2Å; G377-E381 PolarHBondContact O-N 3.44Å
378K97.1Very high95.7Very high68 Ų6842.3 Ų42.330%0.29622%0.218SC..Hα-helixtrans-69.7-34.6178.1-59.9-61.2174.7-156.90113.3F375 L376 E381 A382 F397 F398F375-K378 WeakPolarHBondContact O-CB 3.43Å; F375-K378 PolarHBondContact O-N 3.15Å; L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 2.98Å; K378-E381 WeakPolarHBondContact CD-OE2 3.33Å; K378-E381 VanDerWaalsContact NZ-CD 3.26Å; K378-E381 IonicContact NZ-OE1 2.78Å; K378-E381 PolarHBondContact NZ-OE1 2.84Å; K378-E381 IonicContact NZ-OE2 3.88Å; K378-E381 PolarHBondContact NZ-OE2 3.47Å; K378-E381 PolarHBondContact O-N 2.93Å; K378-A382 PolarHBondContact O-N 2.94Å; K378-F397 HydrophobicContact CB-CD1 3.85Å; K378-F397 HydrophobicContact CB-CE1 3.59Å; K378-F397 HydrophobicContact CB-CZ 4.12Å; K378-F397 HydrophobicContact CD-CD2 4.3Å; K378-F397 HydrophobicContact CD-CE1 4.29Å; K378-F397 HydrophobicContact CD-CE2 4.04Å; K378-F397 HydrophobicContact CD-CZ 4.04Å; K378-F397 HydrophobicContact CG-CD1 4.23Å; K378-F397 HydrophobicContact CG-CE1 3.67Å; K378-F397 HydrophobicContact CG-CE2 4.16Å; K378-F397 HydrophobicContact CG-CZ 3.64Å; K378-F398 HydrophobicContact CB-CE1 4.45Å; K378-F398 HydrophobicContact CB-CZ 4.04Å
379I97.9Very high95.9Very high0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-64.8-45.4171.9-61.7-174.6000110.6Y338 F342 A362 F375 L376 E381 A382 F383 L392 F398Y338-I379 HydrophobicContact CD1-CD1 3.46Å; Y338-I379 VanDerWaalsContact CD1-CD1 3.46Å; Y338-I379 HydrophobicContact CE1-CD1 4.29Å; Y338-I379 HydrophobicContact CG-CD1 4.03Å; F342-I379 HydrophobicContact CE1-CG2 4.15Å; F342-I379 HydrophobicContact CE2-CD1 3.91Å; F342-I379 HydrophobicContact CE2-CG2 3.86Å; F342-I379 HydrophobicContact CZ-CG2 3.65Å; A362-I379 HydrophobicContact CB-CB 4.07Å; A362-I379 HydrophobicContact CB-CG2 3.73Å; F375-I379 HydrophobicContact CD1-CD1 4.14Å; F375-I379 HydrophobicContact CE1-CD1 3.73Å; F375-I379 HydrophobicContact CE1-CG1 4.22Å; F375-I379 HydrophobicContact CZ-CD1 4.47Å; F375-I379 PolarHBondContact O-N 3.38Å; L376-I379 HydrophobicContact CD2-CD1 3.73Å; L376-I379 HydrophobicContact CD2-CG1 4.5Å; L376-I379 PolarHBondContact O-N 2.76Å; I379-E381 PolarHBondContact O-N 3.39Å; I379-A382 WeakPolarHBondContact O-CB 3.4Å; I379-A382 PolarHBondContact O-N 2.99Å; I379-F383 HydrophobicContact CG2-CD2 3.8Å; I379-F383 HydrophobicContact CG2-CE2 3.73Å; I379-F383 WeakPolarHBondContact O-CD2 3.32Å; I379-F383 PolarHBondContact O-N 2.99Å; I379-F383 VanDerWaalsContact O-N 3.12Å; I379-L392 HydrophobicContact CD1-CD1 3.92Å; I379-L392 HydrophobicContact CG1-CD1 4.17Å; I379-L392 HydrophobicContact CG2-CD1 4.21Å; I379-L392 HydrophobicContact CG2-CD2 3.96Å; I379-F398 HydrophobicContact CB-CZ 4.31Å; I379-F398 HydrophobicContact CG1-CE1 4.27Å; I379-F398 HydrophobicContact CG1-CE2 4.26Å; I379-F398 HydrophobicContact CG1-CZ 3.52Å
380K96.4Very high95.8Very high42 Ų4247.2 Ų47.218%0.18324%0.238CC..Hα-helixtrans-58-49.8175.6-174-167.1-178.1-50.90110.7A362 L363 L376 G377 A382 F383 D384A362-K380 HydrophobicContact CB-CB 4.09Å; L363-K380 HydrophobicContact CB-CD 4.2Å; L363-K380 HydrophobicContact CD1-CD 4.28Å; L376-K380 PolarHBondContact O-N 3.27Å; G377-K380 PolarHBondContact O-N 3.3Å; K380-A382 PolarHBondContact O-N 3.45Å; K380-F383 PolarHBondContact O-N 3.07Å; K380-F383 VanDerWaalsContact O-N 3.17Å; K380-D384 IonicContact NZ-OD1 2.63Å; K380-D384 PolarHBondContact NZ-OD1 3.11Å; K380-D384 IonicContact NZ-OD2 2.84Å; K380-D384 PolarHBondContact NZ-OD2 3.48Å; K380-D384 WeakPolarHBondContact O-CB 3.43Å; K380-D384 PolarHBondContact O-N 2.84Å
381E96.9Very high96Very high68 Ų6846 Ų4632%0.31823%0.232SC..Hα-helixtrans-57.4-35.9178.2-71.9169.6-15300112.3G377 K378 I379 R385G377-E381 VanDerWaalsContact O-CG 3.31Å; G377-E381 WeakPolarHBondContact O-CG 3.2Å; G377-E381 PolarHBondContact O-N 3.44Å; K378-E381 WeakPolarHBondContact CD-OE2 3.33Å; K378-E381 VanDerWaalsContact NZ-CD 3.26Å; K378-E381 IonicContact NZ-OE1 2.78Å; K378-E381 PolarHBondContact NZ-OE1 2.84Å; K378-E381 IonicContact NZ-OE2 3.88Å; K378-E381 PolarHBondContact NZ-OE2 3.47Å; K378-E381 PolarHBondContact O-N 2.93Å; I379-E381 PolarHBondContact O-N 3.39Å; E381-R385 WeakPolarHBondContact O-CG 3.4Å; E381-R385 PolarHBondContact O-N 3.18Å; E381-R385 VanDerWaalsContact O-N 3.16Å; E381-R385 PolarHBondContact O-NH1 2.96Å
382A98.2Very high96Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-65.3-47.1175.700000112.2K378 I379 K380 D384 R385 D386 L389 D395 F398K378-A382 PolarHBondContact O-N 2.94Å; I379-A382 WeakPolarHBondContact O-CB 3.4Å; I379-A382 PolarHBondContact O-N 2.99Å; K380-A382 PolarHBondContact O-N 3.45Å; A382-D384 VanDerWaalsContact C-N 3.35Å; A382-R385 WeakPolarHBondContact O-CB 3.47Å; A382-R385 PolarHBondContact O-N 3.39Å; A382-D386 PolarHBondContact O-N 2.74Å; A382-L389 HydrophobicContact CB-CD2 4.22Å; A382-D395 HydrophobicContact CB-CB 4.01Å; A382-F398 HydrophobicContact CB-CE2 3.91Å
383F97.9Very high96.2Very high14 Ų1443.6 Ų43.66%0.06122%0.224CC..Hα-helixtrans-74.1-23177-73.2-65.6000114F342 Y358 I379 K380 R385 D386 A387 L389 L392F342-F383 HydrophobicContact CB-CZ 4.47Å; F342-F383 HydrophobicContact CD1-CD2 4.5Å; F342-F383 AromaticContact CD1-CE2 3.41Å; F342-F383 HydrophobicContact CD1-CE2 3.41Å; F342-F383 VanDerWaalsContact CD1-CE2 3.41Å; F342-F383 AromaticContact CD1-CZ 3.67Å; F342-F383 HydrophobicContact CD1-CZ 3.67Å; F342-F383 HydrophobicContact CE1-CD2 4.28Å; F342-F383 AromaticContact CE1-CE2 3.55Å; F342-F383 HydrophobicContact CE1-CE2 3.55Å; F342-F383 HydrophobicContact CE1-CZ 4.26Å; F342-F383 HydrophobicContact CG-CE2 4.11Å; F342-F383 HydrophobicContact CG-CZ 4.28Å; F342-F383 HydrophobicContact CZ-CE2 4.36Å; Y358-F383 HydrophobicContact CD2-CD1 4.08Å; Y358-F383 AromaticContact CD2-CE1 3.74Å; Y358-F383 HydrophobicContact CD2-CE1 3.74Å; Y358-F383 HydrophobicContact CD2-CZ 4.24Å; Y358-F383 HydrophobicContact CG-CD1 4.33Å; Y358-F383 AromaticContact CG-CE1 3.97Å; Y358-F383 HydrophobicContact CG-CE1 3.97Å; Y358-F383 HydrophobicContact CG-CE2 4.45Å; Y358-F383 HydrophobicContact CG-CZ 4.04Å; I379-F383 HydrophobicContact CG2-CD2 3.8Å; I379-F383 HydrophobicContact CG2-CE2 3.73Å; I379-F383 WeakPolarHBondContact O-CD2 3.32Å; I379-F383 PolarHBondContact O-N 2.99Å; I379-F383 VanDerWaalsContact O-N 3.12Å; K380-F383 PolarHBondContact O-N 3.07Å; K380-F383 VanDerWaalsContact O-N 3.17Å; F383-R385 VanDerWaalsContact C-N 3.31Å; F383-D386 WeakPolarHBondContact CA-O 3.26Å; F383-D386 CarbonylContact O-C 3.48Å; F383-A387 WeakPolarHBondContact O-CA 3.41Å; F383-A387 PolarHBondContact O-N 3.49Å; F383-L389 HydrophobicContact CD1-CB 4.1Å; F383-L389 HydrophobicContact CE1-CB 3.92Å; F383-L389 HydrophobicContact CE1-CD2 4.4Å; F383-L392 HydrophobicContact CD2-CD2 4.33Å; F383-L392 HydrophobicContact CE2-CD2 3.6Å; F383-L392 HydrophobicContact CE2-CG 4.46Å; F383-L392 HydrophobicContact CZ-CD2 3.87Å
384D96.1Very high96.4Very high98 Ų9848.2 Ų48.252%0.52425%0.248SC..Hα-helixtrans-68.1-33.7169.8-69.1-19000110.9K380 A382K380-D384 IonicContact NZ-OD1 2.63Å; K380-D384 PolarHBondContact NZ-OD1 3.11Å; K380-D384 IonicContact NZ-OD2 2.84Å; K380-D384 PolarHBondContact NZ-OD2 3.48Å; K380-D384 WeakPolarHBondContact O-CB 3.43Å; K380-D384 PolarHBondContact O-N 2.84Å; A382-D384 VanDerWaalsContact C-N 3.35Å
385R97.4Very high96.7Very high137 Ų13745.6 Ų45.652%0.51723%0.231SC..Hα-helixtrans-75.3-42.9175.1-73.7-175.3-65.9-88.47.3112.3E381 A382 F383 D395E381-R385 WeakPolarHBondContact O-CG 3.4Å; E381-R385 PolarHBondContact O-N 3.18Å; E381-R385 VanDerWaalsContact O-N 3.16Å; E381-R385 PolarHBondContact O-NH1 2.96Å; A382-R385 WeakPolarHBondContact O-CB 3.47Å; A382-R385 PolarHBondContact O-N 3.39Å; F383-R385 VanDerWaalsContact C-N 3.31Å; R385-D395 IonicContact CZ-OD2 3.95Å; R385-D395 IonicContact NE-OD2 3.51Å; R385-D395 PolarHBondContact NE-OD2 3.11Å; R385-D395 VanDerWaalsContact NH2-CG 3.26Å; R385-D395 IonicContact NH2-OD1 2.66Å; R385-D395 PolarHBondContact NH2-OD1 3.42Å; R385-D395 VanDerWaalsContact NH2-OD1 3.09Å; R385-D395 IonicContact NH2-OD2 3.23Å; R385-D395 PolarHBondContact NH2-OD2 2.87Å
386D97.5Very high96.9Very high74 Ų7451.3 Ų51.340%0.39626%0.262SS..  trans-14199.6-179.3-179.28.1000110.3A382 F383 D388 L389A382-D386 PolarHBondContact O-N 2.74Å; F383-D386 WeakPolarHBondContact CA-O 3.26Å; F383-D386 CarbonylContact O-C 3.48Å; D386-D388 PolarHBondContact O-N 3.09Å; D386-D388 PolarHBondContact OD1-N 3.36Å; D386-L389 HydrophobicContact CB-CB 4.17Å; D386-L389 VanDerWaalsContact O-CB 3.28Å; D386-L389 WeakPolarHBondContact O-CB 3.33Å; D386-L389 PolarHBondContact O-N 2.68Å; D386-L389 PolarHBondContact OD1-N 2.95Å; D386-L389 WeakPolarHBondContact OD2-CA 3.21Å
387A95.4Very high97.1Very high68 Ų6854.5 Ų54.556%0.56228%0.276SS*.THydrogen-bonded Turntrans-67.8-22.9-179.900000112.8F383F383-A387 WeakPolarHBondContact O-CA 3.41Å; F383-A387 PolarHBondContact O-N 3.49Å
388D94.4Very high97.3Very high132 Ų13254.5 Ų54.571%0.70628%0.275SS*.THydrogen-bonded Turntrans-98.712.7-179.1-66.8-44.1000112.3D386 Q390D386-D388 PolarHBondContact O-N 3.09Å; D386-D388 PolarHBondContact OD1-N 3.36Å; D388-Q390 PolarHBondContact O-N 2.67Å; D388-Q390 VanDerWaalsContact O-N 3.1Å; D388-Q390 PolarHBondContact O-NE2 3.29Å
389L97.2Very high97.3Very high14 Ų1452.4 Ų52.47%0.07327%0.27CS..  trans-51.9118.5-179.3-179.665.5000110.9A382 F383 D386 N391 L392 L394 D395A382-L389 HydrophobicContact CB-CD2 4.22Å; F383-L389 HydrophobicContact CD1-CB 4.1Å; F383-L389 HydrophobicContact CE1-CB 3.92Å; F383-L389 HydrophobicContact CE1-CD2 4.4Å; D386-L389 HydrophobicContact CB-CB 4.17Å; D386-L389 VanDerWaalsContact O-CB 3.28Å; D386-L389 WeakPolarHBondContact O-CB 3.33Å; D386-L389 PolarHBondContact O-N 2.68Å; D386-L389 PolarHBondContact OD1-N 2.95Å; D386-L389 WeakPolarHBondContact OD2-CA 3.21Å; L389-N391 WeakPolarHBondContact CD1-O 3.48Å; L389-N391 WeakPolarHBondContact CG-O 3.37Å; L389-N391 PolarHBondContact O-N 3.31Å; L389-L392 HydrophobicContact CD2-CD2 4.13Å; L389-L394 HydrophobicContact CD1-CB 4.08Å; L389-D395 HydrophobicContact CD2-CB 3.88Å
390Q95.3Very high97.3Very high98 Ų9856.3 Ų56.346%0.45829%0.291SS..SBendtrans-71.6-36-172.3-65-61.7-64.400112.3R346 D388 L394R346-Q390 VanDerWaalsContact NH1-C 3.33Å; R346-Q390 VanDerWaalsContact NH1-CB 3.26Å; R346-Q390 PolarHBondContact NH1-O 2.85Å; D388-Q390 PolarHBondContact O-N 2.67Å; D388-Q390 VanDerWaalsContact O-N 3.1Å; D388-Q390 PolarHBondContact O-NE2 3.29Å; Q390-L394 HydrophobicContact CB-CD1 4.33Å
391N98.1Very high97.4Very high4 Ų454.9 Ų54.92%0.02129%0.286CS..  trans-151.4139.8179.1-170.9-50.1000108.9M343 L389 L393 L394 Y436M343-N391 PolarHBondContact SD-ND2 3.02Å; L389-N391 WeakPolarHBondContact CD1-O 3.48Å; L389-N391 WeakPolarHBondContact CG-O 3.37Å; L389-N391 PolarHBondContact O-N 3.31Å; N391-L393 PolarHBondContact O-N 3.45Å; N391-L393 VanDerWaalsContact O-N 3.15Å; N391-L393 WeakPolarHBondContact OD1-CB 3.47Å; N391-L393 WeakPolarHBondContact OD1-CG 3.28Å; N391-L393 PolarHBondContact OD1-N 3.39Å; N391-L394 HydrophobicContact CB-CD1 4.34Å; N391-L394 HydrophobicContact CB-CG 4.26Å; N391-L394 WeakPolarHBondContact O-CB 3.19Å; N391-L394 PolarHBondContact O-N 3.38Å; N391-Y436 HydrophobicContact CB-CE1 4.37Å; N391-Y436 WeakPolarHBondContact CB-OH 3.45Å; N391-Y436 PolarHBondContact ND2-OH 3.33Å
392L97.9Very high97.5Very high2 Ų251.7 Ų51.71%0.0127%0.271CS..G310 helixtrans-55.6-31.4177.2-70.3177.8000113A339 F342 I379 F383 L389 L394 D395 F398A339-L392 HydrophobicContact CB-CB 4.16Å; F342-L392 HydrophobicContact CB-CD1 4.33Å; F342-L392 HydrophobicContact CD2-CD1 3.81Å; F342-L392 HydrophobicContact CE2-CD1 4.43Å; F342-L392 HydrophobicContact CG-CD1 4.18Å; I379-L392 HydrophobicContact CD1-CD1 3.92Å; I379-L392 HydrophobicContact CG1-CD1 4.17Å; I379-L392 HydrophobicContact CG2-CD1 4.21Å; I379-L392 HydrophobicContact CG2-CD2 3.96Å; F383-L392 HydrophobicContact CD2-CD2 4.33Å; F383-L392 HydrophobicContact CE2-CD2 3.6Å; F383-L392 HydrophobicContact CE2-CG 4.46Å; F383-L392 HydrophobicContact CZ-CD2 3.87Å; L389-L392 HydrophobicContact CD2-CD2 4.13Å; L392-L394 PolarHBondContact O-N 3.13Å; L392-L394 VanDerWaalsContact O-N 3.16Å; L392-D395 PolarHBondContact O-N 3.08Å; L392-D395 VanDerWaalsContact O-N 3.13Å; L392-F398 HydrophobicContact CB-CD2 4.16Å; L392-F398 HydrophobicContact CD2-CD2 4.37Å; L392-F398 HydrophobicContact CD2-CE2 4Å; L392-F398 VanDerWaalsContact O-CB 3.31Å; L392-F398 WeakPolarHBondContact O-CB 3.24Å; L392-F398 WeakPolarHBondContact O-CD2 3.48Å
393L98.2Very high97.5Very high17 Ų1756.5 Ų56.59%0.08929%0.294CS..G310 helixtrans-66-13.5178.1-64178.7000114.3I335 I336 A339 N391 S399 V402 F432 Y436I335-L393 HydrophobicContact CG2-CD2 3.7Å; I336-L393 HydrophobicContact CD1-CD1 3.87Å; I336-L393 HydrophobicContact CD1-CD2 4Å; A339-L393 HydrophobicContact CB-CD1 4.48Å; A339-L393 HydrophobicContact CB-CG 4.03Å; N391-L393 PolarHBondContact O-N 3.45Å; N391-L393 VanDerWaalsContact O-N 3.15Å; N391-L393 WeakPolarHBondContact OD1-CB 3.47Å; N391-L393 WeakPolarHBondContact OD1-CG 3.28Å; N391-L393 PolarHBondContact OD1-N 3.39Å; L393-S399 WeakPolarHBondContact O-CB 3.49Å; L393-V402 HydrophobicContact CD2-CG2 4.05Å; L393-F432 HydrophobicContact CD1-CE1 4.13Å; L393-Y436 HydrophobicContact CD1-CD1 4.03Å; L393-Y436 HydrophobicContact CD1-CE1 4.44Å
394L97.8Very high97.5Very high104 Ų10461.3 Ų61.355%0.54532%0.32SS..G310 helixtrans-91.1-10176.9-57.6178.5000112.8L389 Q390 N391 L392L389-L394 HydrophobicContact CD1-CB 4.08Å; Q390-L394 HydrophobicContact CB-CD1 4.33Å; N391-L394 HydrophobicContact CB-CD1 4.34Å; N391-L394 HydrophobicContact CB-CG 4.26Å; N391-L394 WeakPolarHBondContact O-CB 3.19Å; N391-L394 PolarHBondContact O-N 3.38Å; L392-L394 PolarHBondContact O-N 3.13Å; L392-L394 VanDerWaalsContact O-N 3.16Å
395D98.5Very high97.6Very high14 Ų1457 Ų578%0.07530%0.297CS..SBendtrans-76.6142.8171.1171.1-93000110.8A382 R385 L389 L392 F397 F398 S399A382-D395 HydrophobicContact CB-CB 4.01Å; R385-D395 IonicContact CZ-OD2 3.95Å; R385-D395 IonicContact NE-OD2 3.51Å; R385-D395 PolarHBondContact NE-OD2 3.11Å; R385-D395 VanDerWaalsContact NH2-CG 3.26Å; R385-D395 IonicContact NH2-OD1 2.66Å; R385-D395 PolarHBondContact NH2-OD1 3.42Å; R385-D395 VanDerWaalsContact NH2-OD1 3.09Å; R385-D395 IonicContact NH2-OD2 3.23Å; R385-D395 PolarHBondContact NH2-OD2 2.87Å; L389-D395 HydrophobicContact CD2-CB 3.88Å; L392-D395 PolarHBondContact O-N 3.08Å; L392-D395 VanDerWaalsContact O-N 3.13Å; D395-F397 VanDerWaalsContact C-N 3.29Å; D395-F397 PolarHBondContact O-N 3.48Å; D395-F397 VanDerWaalsContact OD1-CB 3.29Å; D395-F397 WeakPolarHBondContact OD1-CB 3.42Å; D395-F397 PolarHBondContact OD1-N 2.91Å; D395-F398 HydrophobicContact CB-CD2 4.08Å; D395-F398 PolarHBondContact O-N 3.29Å; D395-S399 WeakPolarHBondContact O-CB 3.46Å; D395-S399 PolarHBondContact O-N 3.31Å; D395-S399 PolarHBondContact O-OG 2.88Å
396N97.7Very high97.7Very high122 Ų12253.1 Ų53.165%0.65229%0.285SS*.Hα-helixtrans-60.4-34.7-174.3-72.1-26.4000113.2S399 N400N396-S399 VanDerWaalsContact CA-OG 3.3Å; N396-S399 WeakPolarHBondContact CA-OG 3.43Å; N396-S399 PolarHBondContact O-OG 3.48Å; N396-N400 VanDerWaalsContact O-CB 3.3Å; N396-N400 WeakPolarHBondContact O-CB 3.49Å; N396-N400 PolarHBondContact O-N 3.44Å; N396-N400 PolarHBondContact O-ND2 2.87Å
397F98.3Very high97.7Very high68 Ų6856 Ų5630%0.29830%0.296SS..Hα-helixtrans-67.2-49.2179.4172.9-94000110.7Y331 K378 D395 A401Y331-F397 WeakPolarHBondContact OH-CZ 3.48Å; K378-F397 HydrophobicContact CB-CD1 3.85Å; K378-F397 HydrophobicContact CB-CE1 3.59Å; K378-F397 HydrophobicContact CB-CZ 4.12Å; K378-F397 HydrophobicContact CD-CD2 4.3Å; K378-F397 HydrophobicContact CD-CE1 4.29Å; K378-F397 HydrophobicContact CD-CE2 4.04Å; K378-F397 HydrophobicContact CD-CZ 4.04Å; K378-F397 HydrophobicContact CG-CD1 4.23Å; K378-F397 HydrophobicContact CG-CE1 3.67Å; K378-F397 HydrophobicContact CG-CE2 4.16Å; K378-F397 HydrophobicContact CG-CZ 3.64Å; D395-F397 VanDerWaalsContact C-N 3.29Å; D395-F397 PolarHBondContact O-N 3.48Å; D395-F397 VanDerWaalsContact OD1-CB 3.29Å; D395-F397 WeakPolarHBondContact OD1-CB 3.42Å; D395-F397 PolarHBondContact OD1-N 2.91Å; F397-A401 VanDerWaalsContact O-CB 3.29Å; F397-A401 WeakPolarHBondContact O-CB 3.38Å; F397-A401 PolarHBondContact O-N 3.22Å
398F98.4Very high97.9Very high0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-73.3-38.8-176.7-64.6-66000112.9I335 F375 K378 I379 A382 L392 D395 A401 V402I335-F398 HydrophobicContact CD1-CD1 4.36Å; I335-F398 HydrophobicContact CG1-CD1 4.13Å; I335-F398 HydrophobicContact CG2-CB 4.15Å; I335-F398 HydrophobicContact CG2-CD1 3.92Å; I335-F398 HydrophobicContact CG2-CG 4.34Å; F375-F398 HydrophobicContact CD2-CE1 4.38Å; F375-F398 HydrophobicContact CE2-CD1 4.17Å; F375-F398 AromaticContact CE2-CE1 3.53Å; F375-F398 HydrophobicContact CE2-CE1 3.53Å; F375-F398 HydrophobicContact CZ-CD1 4.28Å; F375-F398 AromaticContact CZ-CE1 3.64Å; F375-F398 HydrophobicContact CZ-CE1 3.64Å; K378-F398 HydrophobicContact CB-CE1 4.45Å; K378-F398 HydrophobicContact CB-CZ 4.04Å; I379-F398 HydrophobicContact CB-CZ 4.31Å; I379-F398 HydrophobicContact CG1-CE1 4.27Å; I379-F398 HydrophobicContact CG1-CE2 4.26Å; I379-F398 HydrophobicContact CG1-CZ 3.52Å; A382-F398 HydrophobicContact CB-CE2 3.91Å; L392-F398 HydrophobicContact CB-CD2 4.16Å; L392-F398 HydrophobicContact CD2-CD2 4.37Å; L392-F398 HydrophobicContact CD2-CE2 4Å; L392-F398 VanDerWaalsContact O-CB 3.31Å; L392-F398 WeakPolarHBondContact O-CB 3.24Å; L392-F398 WeakPolarHBondContact O-CD2 3.48Å; D395-F398 HydrophobicContact CB-CD2 4.08Å; D395-F398 PolarHBondContact O-N 3.29Å; F398-A401 PolarHBondContact O-N 2.93Å; F398-V402 WeakPolarHBondContact O-CG2 3.34Å; F398-V402 PolarHBondContact O-N 3.2Å
399S97.9Very high98.1Very high25 Ų2546.7 Ų46.718%0.17524%0.238CC..Hα-helixtrans-60.2-47.3175.350.40000111.5L393 D395 N396 V402 Q403L393-S399 WeakPolarHBondContact O-CB 3.49Å; D395-S399 WeakPolarHBondContact O-CB 3.46Å; D395-S399 PolarHBondContact O-N 3.31Å; D395-S399 PolarHBondContact O-OG 2.88Å; N396-S399 VanDerWaalsContact CA-OG 3.3Å; N396-S399 WeakPolarHBondContact CA-OG 3.43Å; N396-S399 PolarHBondContact O-OG 3.48Å; S399-V402 PolarHBondContact O-N 3.39Å; S399-Q403 WeakPolarHBondContact O-CB 3.33Å; S399-Q403 VanDerWaalsContact O-CG 3.24Å; S399-Q403 WeakPolarHBondContact O-CG 3.25Å; S399-Q403 PolarHBondContact O-N 2.85Å
400N98.4Very high98.2Very high82 Ų8249.5 Ų49.544%0.43925%0.247SC..Hα-helixtrans-62.8-46.1175.6-69.5-19.8000111.7N396 V402 Q403 D404N396-N400 VanDerWaalsContact O-CB 3.3Å; N396-N400 WeakPolarHBondContact O-CB 3.49Å; N396-N400 PolarHBondContact O-N 3.44Å; N396-N400 PolarHBondContact O-ND2 2.87Å; N400-V402 VanDerWaalsContact C-N 3.32Å; N400-V402 PolarHBondContact O-N 2.91Å; N400-Q403 WeakPolarHBondContact O-CB 3.39Å; N400-Q403 PolarHBondContact O-N 2.98Å; N400-Q403 VanDerWaalsContact O-N 3.12Å; N400-D404 WeakPolarHBondContact O-CB 3.44Å; N400-D404 VanDerWaalsContact O-CG 3.31Å; N400-D404 PolarHBondContact O-N 3.46Å
401A98.5Very high98.3Very high11 Ų1150.1 Ų50.19%0.09125%0.245CC..Hα-helixtrans-57.3-42.7178.400000112.8Y331 I335 F397 F398 C405Y331-A401 HydrophobicContact CE1-CB 3.85Å; I335-A401 HydrophobicContact CD1-CB 3.81Å; F397-A401 VanDerWaalsContact O-CB 3.29Å; F397-A401 WeakPolarHBondContact O-CB 3.38Å; F397-A401 PolarHBondContact O-N 3.22Å; F398-A401 PolarHBondContact O-N 2.93Å; A401-C405 WeakPolarHBondContact O-CB 3.18Å; A401-C405 PolarHBondContact O-N 3.5Å; A401-C405 PolarHBondContact O-SG 3.32Å
402V98.3Very high98.4Very high1 Ų149.9 Ų49.91%0.00624%0.244CC..Hα-helixtrans-69.3-40.7176.4174.10000111.1I335 L393 F398 S399 N400 D404 C405 Q406 W409 Y433I335-V402 HydrophobicContact CB-CG2 4.18Å; I335-V402 HydrophobicContact CD1-CG2 3.87Å; I335-V402 HydrophobicContact CG2-CG2 3.87Å; L393-V402 HydrophobicContact CD2-CG2 4.05Å; F398-V402 WeakPolarHBondContact O-CG2 3.34Å; F398-V402 PolarHBondContact O-N 3.2Å; S399-V402 PolarHBondContact O-N 3.39Å; N400-V402 VanDerWaalsContact C-N 3.32Å; N400-V402 PolarHBondContact O-N 2.91Å; V402-D404 VanDerWaalsContact C-N 3.32Å; V402-D404 PolarHBondContact O-N 3.17Å; V402-C405 PolarHBondContact O-N 2.78Å; V402-C405 VanDerWaalsContact O-N 3.14Å; V402-Q406 WeakPolarHBondContact O-CB 3.21Å; V402-Q406 PolarHBondContact O-N 3.35Å; V402-W409 HydrophobicContact CG1-CZ3 4.41Å; V402-Y433 HydrophobicContact CG1-CD2 3.88Å; V402-Y433 HydrophobicContact CG1-CE1 4.19Å; V402-Y433 HydrophobicContact CG1-CE2 3.47Å; V402-Y433 VanDerWaalsContact CG1-CE2 3.47Å; V402-Y433 HydrophobicContact CG1-CG 4.41Å
403Q97.8Very high98.4Very high102 Ų10250.6 Ų50.648%0.47725%0.249SC..Hα-helixtrans-59.6-41.7175.9-73.6171.720.900112.1S399 N400 C405 Q406S399-Q403 WeakPolarHBondContact O-CB 3.33Å; S399-Q403 VanDerWaalsContact O-CG 3.24Å; S399-Q403 WeakPolarHBondContact O-CG 3.25Å; S399-Q403 PolarHBondContact O-N 2.85Å; N400-Q403 WeakPolarHBondContact O-CB 3.39Å; N400-Q403 PolarHBondContact O-N 2.98Å; N400-Q403 VanDerWaalsContact O-N 3.12Å; Q403-C405 PolarHBondContact O-N 3.2Å; Q403-Q406 WeakPolarHBondContact O-CG 3.34Å; Q403-Q406 PolarHBondContact O-NE2 2.88Å
404D98.5Very high98.4Very high115 Ų11553.2 Ų53.262%0.61527%0.268SS*.Hα-helixtrans-69.9-19177.9-70.3-20.5000113.7K328 N400 V402K328-D404 PolarHBondContact NZ-O 2.66Å; N400-D404 WeakPolarHBondContact O-CB 3.44Å; N400-D404 VanDerWaalsContact O-CG 3.31Å; N400-D404 PolarHBondContact O-N 3.46Å; V402-D404 VanDerWaalsContact C-N 3.32Å; V402-D404 PolarHBondContact O-N 3.17Å
405C98.7Very high98.4Very high6 Ų648.9 Ų48.94%0.04125%0.247CC..Hα-helixtrans-102.6-20.9-178.7-66.80000113.7K328 A332 A401 V402 Q403 E407 S408 W409K328-C405 HydrophobicContact CB-CB 4.05Å; A332-C405 HydrophobicContact CB-CB 3.81Å; A401-C405 WeakPolarHBondContact O-CB 3.18Å; A401-C405 PolarHBondContact O-N 3.5Å; A401-C405 PolarHBondContact O-SG 3.32Å; V402-C405 PolarHBondContact O-N 2.78Å; V402-C405 VanDerWaalsContact O-N 3.14Å; Q403-C405 PolarHBondContact O-N 3.2Å; C405-E407 VanDerWaalsContact C-N 3.31Å; C405-E407 PolarHBondContact O-N 3.36Å; C405-E407 VanDerWaalsContact O-N 3.17Å; C405-S408 WeakPolarHBondContact O-CB 3.33Å; C405-S408 PolarHBondContact O-N 3.43Å; C405-W409 VanDerWaalsContact O-CB 3.31Å; C405-W409 WeakPolarHBondContact O-CB 3.34Å; C405-W409 PolarHBondContact O-N 3.23Å
406Q98.1Very high98.4Very high56 Ų5648.2 Ų48.226%0.26224%0.243SC..Hα-helixtrans-60.9-34.2-164.673.8-174.2-57.300114.3V402 Q403 R410V402-Q406 WeakPolarHBondContact O-CB 3.21Å; V402-Q406 PolarHBondContact O-N 3.35Å; Q403-Q406 WeakPolarHBondContact O-CG 3.34Å; Q403-Q406 PolarHBondContact O-NE2 2.88Å; Q406-R410 WeakPolarHBondContact O-CB 3.34Å; Q406-R410 WeakPolarHBondContact O-CG 3.43Å; Q406-R410 PolarHBondContact O-N 3.37Å
407E98.7Very high98.4Very high134 Ų13446.8 Ų46.863%0.62624%0.238SC*.Hα-helixtrans-70.1-48.5179.1-63.7-170.9168.700111.6C405 W409 R410 R411C405-E407 VanDerWaalsContact C-N 3.31Å; C405-E407 PolarHBondContact O-N 3.36Å; C405-E407 VanDerWaalsContact O-N 3.17Å; E407-W409 VanDerWaalsContact C-N 3.28Å; E407-W409 PolarHBondContact O-N 2.97Å; E407-R410 PolarHBondContact O-N 3.15Å; E407-R411 WeakPolarHBondContact O-CG 3.34Å; E407-R411 PolarHBondContact O-N 3Å; E407-R411 IonicContact OE2-NH1 2.76Å
408S98.8Very high98.3Very high6 Ų649.6 Ų49.64%0.04225%0.253CS..Hα-helixtrans-55.4-46.5172.9-75.20000111.2D325 K328 C405 R410 R411 T412D325-S408 WeakPolarHBondContact OD1-CA 3.28Å; D325-S408 WeakPolarHBondContact OD1-CB 3.18Å; D325-S408 PolarHBondContact OD1-OG 3.18Å; K328-S408 WeakPolarHBondContact CD-OG 3.5Å; C405-S408 WeakPolarHBondContact O-CB 3.33Å; C405-S408 PolarHBondContact O-N 3.43Å; S408-R410 PolarHBondContact O-N 3.43Å; S408-R411 PolarHBondContact O-N 3.32Å; S408-R411 PolarHBondContact OG-NH2 3.09Å; S408-R411 VanDerWaalsContact OG-NH2 3.14Å; S408-T412 PolarHBondContact O-N 3.32Å; S408-T412 PolarHBondContact O-OG1 3.18Å; S408-T412 VanDerWaalsContact O-OG1 3.08Å
409W98.8Very high98.2Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-59-46.2178.6-174.521.8000112.7A329 A332 S333 I336 V402 C405 E407 T412 V413 A429 L430 Y433A329-W409 HydrophobicContact CB-CB 4.34Å; A329-W409 HydrophobicContact CB-CG 4.35Å; A332-W409 HydrophobicContact CB-CD2 3.89Å; A332-W409 HydrophobicContact CB-CE3 3.83Å; A332-W409 HydrophobicContact CB-CG 4.26Å; A332-W409 HydrophobicContact CB-CZ3 4.25Å; S333-W409 PolarHBondContact OG-NE1 3.47Å; S333-W409 VanDerWaalsContact OG-NE1 3.09Å; I336-W409 HydrophobicContact CD1-CH2 4.31Å; I336-W409 HydrophobicContact CG1-CH2 3.77Å; I336-W409 HydrophobicContact CG1-CZ2 4.35Å; V402-W409 HydrophobicContact CG1-CZ3 4.41Å; C405-W409 VanDerWaalsContact O-CB 3.31Å; C405-W409 WeakPolarHBondContact O-CB 3.34Å; C405-W409 PolarHBondContact O-N 3.23Å; E407-W409 VanDerWaalsContact C-N 3.28Å; E407-W409 PolarHBondContact O-N 2.97Å; W409-T412 PolarHBondContact O-N 3.46Å; W409-V413 WeakPolarHBondContact O-CG2 3.47Å; W409-V413 PolarHBondContact O-N 3.36Å; W409-A429 HydrophobicContact CH2-CB 4.31Å; W409-A429 WeakPolarHBondContact CH2-O 3.22Å; W409-A429 HydrophobicContact CZ2-CB 3.57Å; W409-L430 HydrophobicContact CD2-CB 4.36Å; W409-L430 HydrophobicContact CD2-CD1 3.78Å; W409-L430 HydrophobicContact CE3-CD1 3.58Å; W409-L430 HydrophobicContact CH2-CB 4.05Å; W409-L430 HydrophobicContact CH2-CD1 3.98Å; W409-L430 HydrophobicContact CZ2-CB 3.6Å; W409-L430 HydrophobicContact CZ2-CD1 4.17Å; W409-L430 HydrophobicContact CZ2-CG 4.49Å; W409-L430 HydrophobicContact CZ3-CD1 3.67Å; W409-Y433 HydrophobicContact CH2-CD1 4.47Å; W409-Y433 HydrophobicContact CH2-CG 4.22Å; W409-Y433 AromaticContact CZ3-CD1 3.75Å; W409-Y433 HydrophobicContact CZ3-CD1 3.75Å; W409-Y433 AromaticContact CZ3-CG 3.83Å; W409-Y433 HydrophobicContact CZ3-CG 3.83Å
410R98.9Very high98.2Very high72 Ų7252.4 Ų52.427%0.27228%0.275SS..Hα-helixtrans-63.6-43.9175.2-71.7172.8-166.1-66.6-3.2111.7Q406 E407 S408 T412 V413 C414 L430 D434Q406-R410 WeakPolarHBondContact O-CB 3.34Å; Q406-R410 WeakPolarHBondContact O-CG 3.43Å; Q406-R410 PolarHBondContact O-N 3.37Å; E407-R410 PolarHBondContact O-N 3.15Å; S408-R410 PolarHBondContact O-N 3.43Å; R410-T412 VanDerWaalsContact C-N 3.34Å; R410-T412 PolarHBondContact O-N 3.2Å; R410-V413 PolarHBondContact O-N 2.91Å; R410-C414 WeakPolarHBondContact O-CB 3.37Å; R410-C414 PolarHBondContact O-N 3.13Å; R410-C414 PolarHBondContact O-SG 3.28Å; R410-L430 HydrophobicContact CG-CD1 4.22Å; R410-L430 HydrophobicContact CG-CD2 4.08Å; R410-D434 IonicContact CZ-OD1 2.74Å; R410-D434 IonicContact CZ-OD2 3.76Å; R410-D434 IonicContact NH1-OD1 2.68Å; R410-D434 IonicContact NH1-OD2 2.8Å; R410-D434 PolarHBondContact NH1-OD2 2.71Å; R410-D434 IonicContact NH2-OD1 3.05Å; R410-D434 PolarHBondContact NH2-OD1 3.45Å; R410-D434 IonicContact NH2-OD2 3.43Å; R410-D434 PolarHBondContact NH2-OD2 2.92Å
411R98.7Very high98.2Very high111 Ų11149.4 Ų49.442%0.41926%0.258SS..Hα-helixtrans-59-44.8176-74.6-168.6-62.8-89.91.6111.7D325 E407 S408 C414 A415D325-R411 IonicContact OD1-CZ 3.19Å; D325-R411 IonicContact OD1-NE 3.64Å; D325-R411 PolarHBondContact OD1-NE 3.15Å; D325-R411 IonicContact OD1-NH2 3.09Å; D325-R411 PolarHBondContact OD1-NH2 3.47Å; D325-R411 IonicContact OD2-CZ 3.37Å; D325-R411 IonicContact OD2-NE 3.79Å; D325-R411 PolarHBondContact OD2-NE 3.27Å; D325-R411 IonicContact OD2-NH2 2.72Å; E407-R411 WeakPolarHBondContact O-CG 3.34Å; E407-R411 PolarHBondContact O-N 3Å; E407-R411 IonicContact OE2-NH1 2.76Å; S408-R411 PolarHBondContact O-N 3.32Å; S408-R411 PolarHBondContact OG-NH2 3.09Å; S408-R411 VanDerWaalsContact OG-NH2 3.14Å; R411-C414 PolarHBondContact O-N 2.8Å; R411-A415 VanDerWaalsContact O-CB 3.25Å; R411-A415 WeakPolarHBondContact O-CB 3.15Å; R411-A415 PolarHBondContact O-N 2.73Å
412T98.8Very high98.2Very high0 Ų052.4 Ų52.40%028%0.277CS..Hα-helixtrans-60.2-48.4176.2-59.60000111.8L207 D325 I326 A329 S408 W409 R410 A415 G416 F426L207-T412 HydrophobicContact CD1-CG2 3.56Å; D325-T412 VanDerWaalsContact C-OG1 3.22Å; D325-T412 PolarHBondContact O-OG1 2.92Å; I326-T412 HydrophobicContact CG1-CG2 4.13Å; I326-T412 PolarHBondContact N-OG1 2.84Å; A329-T412 HydrophobicContact CB-CG2 3.83Å; S408-T412 PolarHBondContact O-N 3.32Å; S408-T412 PolarHBondContact O-OG1 3.18Å; S408-T412 VanDerWaalsContact O-OG1 3.08Å; W409-T412 PolarHBondContact O-N 3.46Å; R410-T412 VanDerWaalsContact C-N 3.34Å; R410-T412 PolarHBondContact O-N 3.2Å; T412-A415 PolarHBondContact O-N 3Å; T412-G416 PolarHBondContact O-N 3.17Å; T412-F426 HydrophobicContact CG2-CD2 4.3Å; T412-F426 HydrophobicContact CG2-CE2 4.28Å
413V98.8Very high98.2Very high16 Ų1652.7 Ų52.710%0.09728%0.278CS..Hα-helixtrans-63.4-45.4178.7171.50000111.2W409 R410 A415 G416 V417 M423 F426 T427 L430W409-V413 WeakPolarHBondContact O-CG2 3.47Å; W409-V413 PolarHBondContact O-N 3.36Å; R410-V413 PolarHBondContact O-N 2.91Å; V413-A415 PolarHBondContact O-N 3.31Å; V413-G416 PolarHBondContact O-N 2.95Å; V413-V417 HydrophobicContact CG1-CG2 4.37Å; V413-V417 WeakPolarHBondContact O-CB 3.13Å; V413-V417 VanDerWaalsContact O-CG2 3.24Å; V413-V417 WeakPolarHBondContact O-CG2 3.36Å; V413-V417 PolarHBondContact O-N 3.41Å; V413-M423 WeakPolarHBondContact O-CE 3.46Å; V413-F426 HydrophobicContact CG2-CB 4.08Å; V413-T427 HydrophobicContact CG1-CG2 3.89Å; V413-L430 HydrophobicContact CB-CD2 4.15Å; V413-L430 HydrophobicContact CG1-CD2 4.25Å; V413-L430 HydrophobicContact CG2-CD2 4.04Å
414C98.3Very high98.3Very high73 Ų7349.1 Ų49.149%0.49326%0.264SS..Hα-helixtrans-60.5-46.2176.8-71.80000111.9R410 R411 V417 Q418R410-C414 WeakPolarHBondContact O-CB 3.37Å; R410-C414 PolarHBondContact O-N 3.13Å; R410-C414 PolarHBondContact O-SG 3.28Å; R411-C414 PolarHBondContact O-N 2.8Å; C414-V417 PolarHBondContact O-N 2.81Å; C414-Q418 WeakPolarHBondContact O-CB 3.49Å; C414-Q418 VanDerWaalsContact O-CG 3.3Å; C414-Q418 WeakPolarHBondContact O-CG 3.3Å; C414-Q418 PolarHBondContact O-N 3.06Å
415A97.3Very high98.3Very high12 Ų1243.7 Ų43.710%0.09924%0.235CC..Hα-helixtrans-63.3-47.4179.400000111.5F322 R411 T412 V413 V417 Q418 H419F322-A415 HydrophobicContact CE2-CB 3.53Å; F322-A415 HydrophobicContact CZ-CB 3.47Å; F322-A415 VanDerWaalsContact CZ-CB 3.47Å; R411-A415 VanDerWaalsContact O-CB 3.25Å; R411-A415 WeakPolarHBondContact O-CB 3.15Å; R411-A415 PolarHBondContact O-N 2.73Å; T412-A415 PolarHBondContact O-N 3Å; V413-A415 PolarHBondContact O-N 3.31Å; A415-V417 VanDerWaalsContact C-N 3.34Å; A415-V417 PolarHBondContact O-N 3.4Å; A415-Q418 PolarHBondContact O-N 2.96Å; A415-H419 WeakPolarHBondContact O-CB 3.2Å; A415-H419 PolarHBondContact O-N 3.46Å; A415-H419 PolarHBondContact O-ND1 2.97Å
416G97.8Very high98.3Very high0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-64.3-37.8178.300000112.6T412 V413 H419 G420 I421T412-G416 PolarHBondContact O-N 3.17Å; V413-G416 PolarHBondContact O-N 2.95Å; G416-H419 CarbonylContact O-C 3.46Å; G416-H419 PolarHBondContact O-N 2.77Å; G416-G420 PolarHBondContact O-N 3.49Å; G416-I421 PolarHBondContact O-N 2.93Å
417V98.1Very high98.3Very high92 Ų9242.9 Ų42.956%0.55823%0.234SC*.Hα-helixtrans-61.6-47.7173168.20000111.2V413 C414 A415 H419 G420 M423V413-V417 HydrophobicContact CG1-CG2 4.37Å; V413-V417 WeakPolarHBondContact O-CB 3.13Å; V413-V417 VanDerWaalsContact O-CG2 3.24Å; V413-V417 WeakPolarHBondContact O-CG2 3.36Å; V413-V417 PolarHBondContact O-N 3.41Å; C414-V417 PolarHBondContact O-N 2.81Å; A415-V417 VanDerWaalsContact C-N 3.34Å; A415-V417 PolarHBondContact O-N 3.4Å; V417-H419 VanDerWaalsContact C-N 3.29Å; V417-H419 PolarHBondContact O-N 3.16Å; V417-G420 PolarHBondContact O-N 3.38Å; V417-G420 VanDerWaalsContact O-N 3.16Å; V417-M423 HydrophobicContact CG2-CE 4.25Å
418Q96.8Very high98.4Very high128 Ų12837.5 Ų37.560%0.59821%0.21SC*.Hα-helixtrans-60.2-40.1178.1-74.9174.3-22.300111.8P310 L313 C414 A415 G420P310-Q418 WeakPolarHBondContact CB-O 3.3Å; P310-Q418 WeakPolarHBondContact CG-O 3.38Å; L313-Q418 WeakPolarHBondContact CD1-O 3.44Å; C414-Q418 WeakPolarHBondContact O-CB 3.49Å; C414-Q418 VanDerWaalsContact O-CG 3.3Å; C414-Q418 WeakPolarHBondContact O-CG 3.3Å; C414-Q418 PolarHBondContact O-N 3.06Å; A415-Q418 PolarHBondContact O-N 2.96Å; Q418-G420 VanDerWaalsContact C-N 3.31Å; Q418-G420 PolarHBondContact O-N 3.35Å
419H97.2Very high98.4Very high40 Ų4037.2 Ų37.219%0.18521%0.208CC..Hα-helixtrans-83.2-1.9179.7-68.478.9000113.9V211 A415 G416 V417 I421V211-H419 HydrophobicContact CG2-CB 4.13Å; A415-H419 WeakPolarHBondContact O-CB 3.2Å; A415-H419 PolarHBondContact O-N 3.46Å; A415-H419 PolarHBondContact O-ND1 2.97Å; G416-H419 CarbonylContact O-C 3.46Å; G416-H419 PolarHBondContact O-N 2.77Å; V417-H419 VanDerWaalsContact C-N 3.29Å; V417-H419 PolarHBondContact O-N 3.16Å; H419-I421 VanDerWaalsContact C-N 3.33Å; H419-I421 HydrophobicContact CB-CG1 4.07Å; H419-I421 PolarHBondContact O-N 2.93Å
420G97.4Very high98.4Very high44 Ų4438 Ų3845%0.45421%0.212SC..THydrogen-bonded Turntrans69.925.8-178.900000114.5G416 V417 Q418G416-G420 PolarHBondContact O-N 3.49Å; V417-G420 PolarHBondContact O-N 3.38Å; V417-G420 VanDerWaalsContact O-N 3.16Å; Q418-G420 VanDerWaalsContact C-N 3.31Å; Q418-G420 PolarHBondContact O-N 3.35Å
421I98.2Very high98.4Very high18 Ų1838.3 Ų38.39%0.09223%0.226CC..  trans-84.2122.2176.3-54.4-55.6000109.5H206 L207 D210 V211 G416 H419 M423H206-I421 HydrophobicContact CB-CG2 4.21Å; L207-I421 HydrophobicContact CD2-CB 4.14Å; L207-I421 HydrophobicContact CD2-CG1 4.31Å; L207-I421 HydrophobicContact CD2-CG2 3.96Å; L207-I421 HydrophobicContact CG-CG2 4.19Å; D210-I421 HydrophobicContact CB-CD1 3.71Å; V211-I421 HydrophobicContact CG2-CD1 4.45Å; V211-I421 HydrophobicContact CG2-CG1 3.75Å; G416-I421 PolarHBondContact O-N 2.93Å; H419-I421 VanDerWaalsContact C-N 3.33Å; H419-I421 HydrophobicContact CB-CG1 4.07Å; H419-I421 PolarHBondContact O-N 2.93Å; I421-M423 HydrophobicContact CG2-CG 4.32Å; I421-M423 PolarHBondContact O-N 3.27Å
422P98.6Very high98.4Very high74 Ų7434 Ų3448%0.48121%0.21SC..  trans-69.5122.8178.628.4-34.2000110.4
423M98.8Very high98.4Very high7 Ų735.3 Ų35.33%0.03422%0.215CC..  trans-133.660.3-179.9-59.2172.8-64.800111.5E203 L207 V413 V417 I421 C425 F426 T427E203-M423 VanDerWaalsContact CD-CA 3.47Å; E203-M423 WeakPolarHBondContact OE2-CA 3.47Å; E203-M423 WeakPolarHBondContact OE2-CB 3.42Å; L207-M423 HydrophobicContact CD1-CG 4.49Å; L207-M423 HydrophobicContact CD1-SD 3.83Å; L207-M423 HydrophobicContact CD2-SD 3.85Å; L207-M423 HydrophobicContact CG-SD 4.21Å; V413-M423 WeakPolarHBondContact O-CE 3.46Å; V417-M423 HydrophobicContact CG2-CE 4.25Å; I421-M423 HydrophobicContact CG2-CG 4.32Å; I421-M423 PolarHBondContact O-N 3.27Å; M423-C425 VanDerWaalsContact C-N 3.28Å; M423-C425 PolarHBondContact O-N 3.29Å; M423-F426 HydrophobicContact CB-CB 4.13Å; M423-F426 HydrophobicContact CB-CD2 4.35Å; M423-F426 HydrophobicContact CG-CD2 4.3Å; M423-F426 PolarHBondContact O-N 3.49Å; M423-F426 HydrophobicContact SD-CD2 4.07Å; M423-T427 HydrophobicContact CB-CG2 4.35Å; M423-T427 WeakPolarHBondContact O-CB 3.46Å; M423-T427 VanDerWaalsContact O-CG2 3.28Å; M423-T427 WeakPolarHBondContact O-CG2 3.24Å; M423-T427 PolarHBondContact O-N 3.34Å; M423-T427 PolarHBondContact O-OG1 3.44Å
424P98.8Very high98.4Very high28 Ų2836.1 Ų36.118%0.18222%0.219CC..Hα-helixtrans-58.8-38.2-174.325.5-35.9000112.6E203 E286 A290 T427 T428E203-P424 WeakPolarHBondContact OE1-CD 3.48Å; E203-P424 WeakPolarHBondContact OE1-CG 3.43Å; E286-P424 HydrophobicContact CB-CB 4.15Å; E286-P424 HydrophobicContact CG-CB 4.39Å; E286-P424 WeakPolarHBondContact OE2-CB 3.36Å; A290-P424 HydrophobicContact CB-CG 4.28Å; P424-T427 PolarHBondContact O-OG1 2.83Å; P424-T428 WeakPolarHBondContact O-CB 3.37Å; P424-T428 WeakPolarHBondContact O-CG2 3.45Å; P424-T428 PolarHBondContact O-N 3.12Å; P424-T428 VanDerWaalsContact O-N 3.11Å
425C98.9Very high98.4Very high0 Ų033.8 Ų33.80%021%0.207CC..Hα-helixtrans-78.7-40180-70.30000113.2Q199 L200 E203 L283 M423 A429Q199-C425 HydrophobicContact CG-CB 4.16Å; Q199-C425 WeakPolarHBondContact CG-SG 3.48Å; L200-C425 HydrophobicContact CD2-CB 3.47Å; L200-C425 VanDerWaalsContact CD2-CB 3.47Å; L200-C425 HydrophobicContact CG-CB 4.04Å; E203-C425 VanDerWaalsContact OE1-CB 3.29Å; E203-C425 WeakPolarHBondContact OE1-CB 3.48Å; E203-C425 PolarHBondContact OE1-N 3.49Å; E203-C425 PolarHBondContact OE2-N 2.81Å; L283-C425 HydrophobicContact CD2-CB 4.07Å; L283-C425 HydrophobicContact CG-CB 4.01Å; L283-C425 PolarHBondContact O-SG 3.17Å; M423-C425 VanDerWaalsContact C-N 3.28Å; M423-C425 PolarHBondContact O-N 3.29Å; C425-A429 WeakPolarHBondContact O-CB 3.47Å; C425-A429 PolarHBondContact O-N 3.43Å; C425-A429 VanDerWaalsContact O-N 3.08Å
426F98.9Very high98.5Very high0 Ų038 Ų380%022%0.221CC..Hα-helixtrans-64.7-41173.8-67.4-20.2000112.5L200 E203 A204 L207 L330 S333 T412 V413 M423 L430L200-F426 HydrophobicContact CB-CE1 4.2Å; L200-F426 HydrophobicContact CD2-CD1 3.37Å; L200-F426 HydrophobicContact CD2-CE1 3.52Å; L200-F426 HydrophobicContact CG-CE1 4.48Å; E203-F426 HydrophobicContact CB-CD2 4.16Å; E203-F426 HydrophobicContact CB-CE2 3.93Å; E203-F426 HydrophobicContact CB-CZ 4.15Å; E203-F426 WeakPolarHBondContact OE2-CG 3.34Å; E203-F426 PolarHBondContact OE2-N 3.18Å; A204-F426 HydrophobicContact CB-CZ 4.29Å; L207-F426 HydrophobicContact CD1-CD2 4.09Å; L207-F426 HydrophobicContact CD1-CE2 3.68Å; L330-F426 HydrophobicContact CB-CE1 4.24Å; L330-F426 HydrophobicContact CB-CZ 4.15Å; L330-F426 HydrophobicContact CD1-CE1 4.29Å; S333-F426 VanDerWaalsContact OG-CD1 3.3Å; S333-F426 WeakPolarHBondContact OG-CD1 3.5Å; T412-F426 HydrophobicContact CG2-CD2 4.3Å; T412-F426 HydrophobicContact CG2-CE2 4.28Å; V413-F426 HydrophobicContact CG2-CB 4.08Å; M423-F426 HydrophobicContact CB-CB 4.13Å; M423-F426 HydrophobicContact CB-CD2 4.35Å; M423-F426 HydrophobicContact CG-CD2 4.3Å; M423-F426 PolarHBondContact O-N 3.49Å; M423-F426 HydrophobicContact SD-CD2 4.07Å; F426-L430 PolarHBondContact O-N 3.16Å; F426-L430 VanDerWaalsContact O-N 3.13Å
427T98.9Very high98.5Very high46 Ų4643.9 Ų43.928%0.28224%0.243SC..Hα-helixtrans-70.3-42.9-178.252.60000112.6V413 M423 P424 A429 L430 S431V413-T427 HydrophobicContact CG1-CG2 3.89Å; M423-T427 HydrophobicContact CB-CG2 4.35Å; M423-T427 WeakPolarHBondContact O-CB 3.46Å; M423-T427 VanDerWaalsContact O-CG2 3.28Å; M423-T427 WeakPolarHBondContact O-CG2 3.24Å; M423-T427 PolarHBondContact O-N 3.34Å; M423-T427 PolarHBondContact O-OG1 3.44Å; P424-T427 PolarHBondContact O-OG1 2.83Å; T427-A429 VanDerWaalsContact C-N 3.34Å; T427-L430 PolarHBondContact O-N 2.86Å; T427-S431 WeakPolarHBondContact O-CB 3.41Å; T427-S431 PolarHBondContact O-N 3.49Å; T427-S431 PolarHBondContact O-OG 3.31Å
428T98.9Very high98.5Very high21 Ų2143.6 Ų43.613%0.12924%0.236CC..Hα-helixtrans-69.5-34.4177.6-162.70000112T282 L283 E286 P424 S431 F432T282-T428 WeakPolarHBondContact CB-OG1 3.05Å; T282-T428 PolarHBondContact OG1-OG1 3.32Å; L283-T428 HydrophobicContact CB-CG2 4.08Å; L283-T428 HydrophobicContact CG-CG2 4.29Å; E286-T428 HydrophobicContact CB-CG2 4.12Å; E286-T428 HydrophobicContact CG-CG2 3.78Å; P424-T428 WeakPolarHBondContact O-CB 3.37Å; P424-T428 WeakPolarHBondContact O-CG2 3.45Å; P424-T428 PolarHBondContact O-N 3.12Å; P424-T428 VanDerWaalsContact O-N 3.11Å; T428-S431 PolarHBondContact O-N 2.89Å; T428-F432 WeakPolarHBondContact O-CB 3.39Å; T428-F432 PolarHBondContact O-N 2.86Å
429A98.9Very high98.5Very high0 Ų045.3 Ų45.30%025%0.249CC..Hα-helixtrans-61.6-45.2174.600000111.1L283 I336 W409 C425 T427 F432 Y433L283-A429 HydrophobicContact CD1-CB 3.78Å; I336-A429 HydrophobicContact CB-CB 4.04Å; I336-A429 HydrophobicContact CG1-CB 4.18Å; I336-A429 HydrophobicContact CG2-CB 4.13Å; W409-A429 HydrophobicContact CH2-CB 4.31Å; W409-A429 WeakPolarHBondContact CH2-O 3.22Å; W409-A429 HydrophobicContact CZ2-CB 3.57Å; C425-A429 WeakPolarHBondContact O-CB 3.47Å; C425-A429 PolarHBondContact O-N 3.43Å; C425-A429 VanDerWaalsContact O-N 3.08Å; T427-A429 VanDerWaalsContact C-N 3.34Å; A429-F432 PolarHBondContact O-N 3.04Å; A429-Y433 PolarHBondContact O-N 3.21Å
430L98.9Very high98.6Very high15 Ų1547.5 Ų47.58%0.07926%0.261CS..Hα-helixtrans-68.6-43.1179.8-176.459.8000111.1W409 R410 V413 F426 T427 F432 Y433 D434W409-L430 HydrophobicContact CD2-CB 4.36Å; W409-L430 HydrophobicContact CD2-CD1 3.78Å; W409-L430 HydrophobicContact CE3-CD1 3.58Å; W409-L430 HydrophobicContact CH2-CB 4.05Å; W409-L430 HydrophobicContact CH2-CD1 3.98Å; W409-L430 HydrophobicContact CZ2-CB 3.6Å; W409-L430 HydrophobicContact CZ2-CD1 4.17Å; W409-L430 HydrophobicContact CZ2-CG 4.49Å; W409-L430 HydrophobicContact CZ3-CD1 3.67Å; R410-L430 HydrophobicContact CG-CD1 4.22Å; R410-L430 HydrophobicContact CG-CD2 4.08Å; V413-L430 HydrophobicContact CB-CD2 4.15Å; V413-L430 HydrophobicContact CG1-CD2 4.25Å; V413-L430 HydrophobicContact CG2-CD2 4.04Å; F426-L430 PolarHBondContact O-N 3.16Å; F426-L430 VanDerWaalsContact O-N 3.13Å; T427-L430 PolarHBondContact O-N 2.86Å; L430-F432 VanDerWaalsContact C-N 3.32Å; L430-F432 PolarHBondContact O-N 3.01Å; L430-Y433 HydrophobicContact CD1-CD1 4.48Å; L430-Y433 PolarHBondContact O-N 3.35Å; L430-D434 WeakPolarHBondContact O-CB 3.38Å; L430-D434 PolarHBondContact O-N 3.48Å
431S98.9Very high98.6Very high80 Ų8049.2 Ų49.256%0.55926%0.259SS*.Hα-helixtrans-59.6-41.7174.4-60.70000112T427 T428 G435T427-S431 WeakPolarHBondContact O-CB 3.41Å; T427-S431 PolarHBondContact O-N 3.49Å; T427-S431 PolarHBondContact O-OG 3.31Å; T428-S431 PolarHBondContact O-N 2.89Å; S431-G435 PolarHBondContact O-N 3.3Å
432F98.9Very high98.6Very high19 Ų1953.2 Ų53.28%0.08329%0.286CS..Hα-helixtrans-65.6-46.6174.9172.5-90.9000111.5P280 I336 Q340 M343 L393 T428 A429 L430 D434 G435 Y436P280-F432 HydrophobicContact CB-CD2 4.41Å; P280-F432 HydrophobicContact CB-CE2 4.21Å; P280-F432 HydrophobicContact CG-CE2 3.85Å; I336-F432 HydrophobicContact CD1-CD1 4.29Å; I336-F432 HydrophobicContact CG2-CB 4.24Å; I336-F432 HydrophobicContact CG2-CD1 3.44Å; I336-F432 VanDerWaalsContact CG2-CD1 3.44Å; I336-F432 HydrophobicContact CG2-CE1 4.12Å; I336-F432 HydrophobicContact CG2-CG 4.09Å; Q340-F432 HydrophobicContact CG-CD1 4.41Å; Q340-F432 HydrophobicContact CG-CD2 4.41Å; Q340-F432 HydrophobicContact CG-CE1 4.17Å; Q340-F432 HydrophobicContact CG-CE2 4.18Å; Q340-F432 HydrophobicContact CG-CZ 4.05Å; M343-F432 HydrophobicContact CE-CZ 4.39Å; M343-F432 HydrophobicContact SD-CE2 4.49Å; M343-F432 HydrophobicContact SD-CZ 3.87Å; L393-F432 HydrophobicContact CD1-CE1 4.13Å; T428-F432 WeakPolarHBondContact O-CB 3.39Å; T428-F432 PolarHBondContact O-N 2.86Å; A429-F432 PolarHBondContact O-N 3.04Å; L430-F432 VanDerWaalsContact C-N 3.32Å; L430-F432 PolarHBondContact O-N 3.01Å; F432-D434 PolarHBondContact O-N 2.87Å; F432-G435 PolarHBondContact O-N 2.91Å; F432-Y436 HydrophobicContact CE1-CG 4.41Å; F432-Y436 HydrophobicContact CZ-CD2 4.21Å; F432-Y436 HydrophobicContact CZ-CG 4.24Å; F432-Y436 VanDerWaalsContact O-CB 3.24Å; F432-Y436 WeakPolarHBondContact O-CB 2.94Å; F432-Y436 PolarHBondContact O-N 3.43Å
433Y98.8Very high98.6Very high29 Ų2952.3 Ų52.311%0.11428%0.284CS..Hα-helixtrans-58.9-48.9178.6172.7-110.7000111.7I336 V402 W409 A429 L430 Y436 R437I336-Y433 HydrophobicContact CD1-CD2 4.28Å; I336-Y433 HydrophobicContact CD1-CG 4.48Å; V402-Y433 HydrophobicContact CG1-CD2 3.88Å; V402-Y433 HydrophobicContact CG1-CE1 4.19Å; V402-Y433 HydrophobicContact CG1-CE2 3.47Å; V402-Y433 VanDerWaalsContact CG1-CE2 3.47Å; V402-Y433 HydrophobicContact CG1-CG 4.41Å; W409-Y433 HydrophobicContact CH2-CD1 4.47Å; W409-Y433 HydrophobicContact CH2-CG 4.22Å; W409-Y433 AromaticContact CZ3-CD1 3.75Å; W409-Y433 HydrophobicContact CZ3-CD1 3.75Å; W409-Y433 AromaticContact CZ3-CG 3.83Å; W409-Y433 HydrophobicContact CZ3-CG 3.83Å; A429-Y433 PolarHBondContact O-N 3.21Å; L430-Y433 HydrophobicContact CD1-CD1 4.48Å; L430-Y433 PolarHBondContact O-N 3.35Å; Y433-Y436 PolarHBondContact O-N 3.45Å; Y433-R437 WeakPolarHBondContact O-CG 3.43Å; Y433-R437 PolarHBondContact O-N 2.78Å
434D98.8Very high98.6Very high33 Ų3356.7 Ų56.718%0.17631%0.308CS..Hα-helixtrans-63.2-43.6175.5-78.9-34.4000110.7R410 L430 F432 Y436 R437 H438R410-D434 IonicContact CZ-OD1 2.74Å; R410-D434 IonicContact CZ-OD2 3.76Å; R410-D434 IonicContact NH1-OD1 2.68Å; R410-D434 IonicContact NH1-OD2 2.8Å; R410-D434 PolarHBondContact NH1-OD2 2.71Å; R410-D434 IonicContact NH2-OD1 3.05Å; R410-D434 PolarHBondContact NH2-OD1 3.45Å; R410-D434 IonicContact NH2-OD2 3.43Å; R410-D434 PolarHBondContact NH2-OD2 2.92Å; L430-D434 WeakPolarHBondContact O-CB 3.38Å; L430-D434 PolarHBondContact O-N 3.48Å; F432-D434 PolarHBondContact O-N 2.87Å; D434-Y436 PolarHBondContact O-N 3.48Å; D434-R437 WeakPolarHBondContact O-CG 3.39Å; D434-R437 PolarHBondContact O-N 3.23Å; D434-R437 IonicContact OD1-CZ 3.84Å; D434-R437 VanDerWaalsContact OD1-CZ 3.23Å; D434-R437 IonicContact OD1-NE 3.49Å; D434-R437 PolarHBondContact OD1-NE 2.89Å; D434-R437 IonicContact OD1-NH2 2.76Å; D434-R437 PolarHBondContact OD1-NH2 2.8Å; D434-H438 PolarHBondContact O-ND1 3.11Å
435G98.6Very high98.6Very high24 Ų2460.3 Ų60.325%0.24733%0.326CS..Hα-helixtrans-59.5-42.9175.800000113.5S431 F432 R437S431-G435 PolarHBondContact O-N 3.3Å; F432-G435 PolarHBondContact O-N 2.91Å; G435-R437 PolarHBondContact O-N 3.39Å
436Y98.6Very high98.5Very high99 Ų9964.7 Ų64.739%0.38835%0.348SS..Hα-helixtrans-71.9-29.4-174.7-171.1-109.8000113.3N391 L393 F432 Y433 D434N391-Y436 HydrophobicContact CB-CE1 4.37Å; N391-Y436 WeakPolarHBondContact CB-OH 3.45Å; N391-Y436 PolarHBondContact ND2-OH 3.33Å; L393-Y436 HydrophobicContact CD1-CD1 4.03Å; L393-Y436 HydrophobicContact CD1-CE1 4.44Å; F432-Y436 HydrophobicContact CE1-CG 4.41Å; F432-Y436 HydrophobicContact CZ-CD2 4.21Å; F432-Y436 HydrophobicContact CZ-CG 4.24Å; F432-Y436 VanDerWaalsContact O-CB 3.24Å; F432-Y436 WeakPolarHBondContact O-CB 2.94Å; F432-Y436 PolarHBondContact O-N 3.43Å; Y433-Y436 PolarHBondContact O-N 3.45Å; D434-Y436 PolarHBondContact O-N 3.48Å
437R98.2Very high98.5Very high124 Ų12468.2 Ų68.247%0.46837%0.365SS..Hα-helixtrans-88.8-7.5-177.973.6179.9-178.373.84.6114.9Y433 D434 G435Y433-R437 WeakPolarHBondContact O-CG 3.43Å; Y433-R437 PolarHBondContact O-N 2.78Å; D434-R437 WeakPolarHBondContact O-CG 3.39Å; D434-R437 PolarHBondContact O-N 3.23Å; D434-R437 IonicContact OD1-CZ 3.84Å; D434-R437 VanDerWaalsContact OD1-CZ 3.23Å; D434-R437 IonicContact OD1-NE 3.49Å; D434-R437 PolarHBondContact OD1-NE 2.89Å; D434-R437 IonicContact OD1-NH2 2.76Å; D434-R437 PolarHBondContact OD1-NH2 2.8Å; G435-R437 PolarHBondContact O-N 3.39Å
438H98.5Very high98.4Very high86 Ų8667.3 Ų67.340%0.39836%0.362SS..  trans-86132.5176.5-76.480.8000110.1D434 M440 L441D434-H438 PolarHBondContact O-ND1 3.11Å; H438-M440 VanDerWaalsContact C-N 3.33Å; H438-L441 HydrophobicContact CB-CD2 3.96Å
439D97.5Very high98.4Very high164 Ų16471.3 Ų71.388%0.87738%0.379SS*.SBendtrans-69.3-32.6173.264.7-27.6000112.2
440M97.7Very high98.3Very high87 Ų8775.4 Ų75.443%0.42940%0.395SS..SBendtrans-124.7124177.2-173.759.456.600111.2H438 L461H438-M440 VanDerWaalsContact C-N 3.33Å; M440-L461 HydrophobicContact CE-CD1 3.45Å; M440-L461 VanDerWaalsContact CE-CD1 3.45Å; M440-L461 HydrophobicContact CE-CD2 3.7Å; M440-L461 HydrophobicContact CE-CG 4.2Å
441L98.4Very high98.1Very high80 Ų8074.7 Ų74.742%0.41939%0.391SS..  trans-108.6159.9174-72.5177.7000111H438 A443 N444H438-L441 HydrophobicContact CB-CD2 3.96Å; L441-A443 PolarHBondContact O-N 3.29Å; L441-N444 PolarHBondContact O-OD1 3.21Å
442P98.6Very high97.9Very high102 Ų10277.2 Ų77.266%0.66239%0.389SS*.THydrogen-bonded Turntrans-67.89.8176.829.5-37000114.4N444 L445P442-N444 VanDerWaalsContact C-OD1 3.29Å; P442-N444 WeakPolarHBondContact CA-OD1 3.34Å; P442-N444 PolarHBondContact O-N 3.4Å; P442-N444 PolarHBondContact O-OD1 2.72Å; P442-L445 PolarHBondContact O-N 3.03Å; P442-L445 VanDerWaalsContact O-N 3.12Å
443A98.3Very high97.6Very high54 Ų5483.7 Ų83.745%0.44642%0.417SS..Hα-helixtrans-64.2-18.2175.600000112.9L441 L445 L446 Q447L441-A443 PolarHBondContact O-N 3.29Å; A443-L445 VanDerWaalsContact C-N 3.33Å; A443-L446 WeakPolarHBondContact O-CB 3.41Å; A443-L446 PolarHBondContact O-N 2.82Å; A443-Q447 WeakPolarHBondContact O-CG 3.41Å; A443-Q447 PolarHBondContact O-N 3.12Å
444N98.1Very high97.3Very high100 Ų10083.3 Ų83.354%0.53542%0.423SS..Hα-helixtrans-60.1-40.1169.664.1-24.4000112.5L441 P442 Q447 A448L441-N444 PolarHBondContact O-OD1 3.21Å; P442-N444 VanDerWaalsContact C-OD1 3.29Å; P442-N444 WeakPolarHBondContact CA-OD1 3.34Å; P442-N444 PolarHBondContact O-N 3.4Å; P442-N444 PolarHBondContact O-OD1 2.72Å; N444-Q447 PolarHBondContact O-N 3.35Å; N444-A448 PolarHBondContact O-N 3.26Å
445L98.6Very high97Very high104 Ų10482.6 Ų82.655%0.54542%0.421SS..Hα-helixtrans-67.9-38.1174.6179.460.9000111.2P442 A443 Q447 A448 Q449P442-L445 PolarHBondContact O-N 3.03Å; P442-L445 VanDerWaalsContact O-N 3.12Å; A443-L445 VanDerWaalsContact C-N 3.33Å; L445-Q447 VanDerWaalsContact C-N 3.33Å; L445-Q447 PolarHBondContact O-N 2.97Å; L445-A448 PolarHBondContact O-N 3.37Å; L445-Q449 HydrophobicContact CD1-CG 4.42Å; L445-Q449 WeakPolarHBondContact O-CB 3.45Å; L445-Q449 VanDerWaalsContact O-CG 3.31Å; L445-Q449 WeakPolarHBondContact O-CG 3.49Å; L445-Q449 PolarHBondContact O-N 3.45Å
446L98.4Very high96.8Very high92 Ų9284.6 Ų84.648%0.48242%0.424SS..Hα-helixtrans-61-42.5174.5-175.4153.3000111.1A443 Q449 R450A443-L446 WeakPolarHBondContact O-CB 3.41Å; A443-L446 PolarHBondContact O-N 2.82Å; L446-Q449 PolarHBondContact O-N 2.97Å; L446-R450 HydrophobicContact CD2-CG 4.28Å; L446-R450 VanDerWaalsContact O-CG 3.31Å; L446-R450 WeakPolarHBondContact O-CG 3.36Å; L446-R450 PolarHBondContact O-N 3.16Å
447Q97.8Very high96.7Very high74 Ų7480.7 Ų80.735%0.34641%0.41SS..Hα-helixtrans-63-45.9173.6-70.2-63.7-12.100112A443 N444 L445 Q449 R450 D451A443-Q447 WeakPolarHBondContact O-CG 3.41Å; A443-Q447 PolarHBondContact O-N 3.12Å; N444-Q447 PolarHBondContact O-N 3.35Å; L445-Q447 VanDerWaalsContact C-N 3.33Å; L445-Q447 PolarHBondContact O-N 2.97Å; Q447-Q449 VanDerWaalsContact C-N 3.33Å; Q447-Q449 PolarHBondContact O-N 3.05Å; Q447-R450 PolarHBondContact O-N 2.84Å; Q447-D451 PolarHBondContact O-N 3.12Å
448A97.8Very high96.5Very high26 Ų2676.8 Ų76.822%0.21540%0.396CS..Hα-helixtrans-59.7-42.317700000112.2N444 L445 D451 Y452 W472N444-A448 PolarHBondContact O-N 3.26Å; L445-A448 PolarHBondContact O-N 3.37Å; A448-D451 PolarHBondContact O-N 2.94Å; A448-Y452 VanDerWaalsContact O-CB 3.24Å; A448-Y452 WeakPolarHBondContact O-CB 3.49Å; A448-Y452 PolarHBondContact O-N 3.48Å; A448-W472 HydrophobicContact CB-CH2 3.95Å; A448-W472 HydrophobicContact CB-CZ2 4.05Å
449Q97.8Very high96.5Very high105 Ų10576.5 Ų76.549%0.49140%0.395SS..Hα-helixtrans-60.9-49.1175.1-73.9170.3-1900111.6L445 L446 Q447 D451 Y452 F453L445-Q449 HydrophobicContact CD1-CG 4.42Å; L445-Q449 WeakPolarHBondContact O-CB 3.45Å; L445-Q449 VanDerWaalsContact O-CG 3.31Å; L445-Q449 WeakPolarHBondContact O-CG 3.49Å; L445-Q449 PolarHBondContact O-N 3.45Å; L446-Q449 PolarHBondContact O-N 2.97Å; Q447-Q449 VanDerWaalsContact C-N 3.33Å; Q447-Q449 PolarHBondContact O-N 3.05Å; Q449-D451 VanDerWaalsContact C-N 3.31Å; Q449-D451 PolarHBondContact O-N 2.72Å; Q449-Y452 WeakPolarHBondContact O-CB 3.31Å; Q449-Y452 PolarHBondContact O-N 2.91Å; Q449-Y452 VanDerWaalsContact O-N 3.15Å; Q449-F453 HydrophobicContact CB-CE1 4.47Å; Q449-F453 WeakPolarHBondContact O-CD1 3.45Å; Q449-F453 VanDerWaalsContact O-CE1 3.3Å; Q449-F453 WeakPolarHBondContact O-CE1 3.49Å; Q449-F453 PolarHBondContact O-N 3.25Å; Q449-F453 VanDerWaalsContact O-N 3.08Å
450R96.5Very high96.4Very high87 Ų8772.3 Ų72.333%0.32837%0.372SS..Hα-helixtrans-58.5-42.9178.4-72.9174.769.8-114.4-0.2112L446 Q447 F453 G454 H456L446-R450 HydrophobicContact CD2-CG 4.28Å; L446-R450 VanDerWaalsContact O-CG 3.31Å; L446-R450 WeakPolarHBondContact O-CG 3.36Å; L446-R450 PolarHBondContact O-N 3.16Å; Q447-R450 PolarHBondContact O-N 2.84Å; R450-F453 HydrophobicContact CG-CZ 4.27Å; R450-G454 WeakPolarHBondContact O-CA 3.38Å; R450-G454 PolarHBondContact O-N 2.98Å; R450-G454 VanDerWaalsContact O-N 3.07Å; R450-H456 HydrophobicContact CB-CB 4Å; R450-H456 PolarHBondContact O-CD2 3.07Å
451D96.1Very high96.4Very high0 Ų075 Ų750%039%0.387CS..Hα-helixtrans-68.9-37.8176.4-16955000112.1Q447 A448 Q449 A455 T457 Y458 H469 T470 W472Q447-D451 PolarHBondContact O-N 3.12Å; A448-D451 PolarHBondContact O-N 2.94Å; Q449-D451 VanDerWaalsContact C-N 3.31Å; Q449-D451 PolarHBondContact O-N 2.72Å; D451-A455 VanDerWaalsContact O-CA 3.28Å; D451-A455 WeakPolarHBondContact O-CA 3.39Å; D451-A455 PolarHBondContact O-N 2.88Å; D451-T457 VanDerWaalsContact OD1-CA 3.26Å; D451-T457 WeakPolarHBondContact OD1-CA 3.26Å; D451-T457 PolarHBondContact OD1-N 2.94Å; D451-Y458 HydrophobicContact CB-CD1 3.88Å; D451-Y458 HydrophobicContact CB-CE1 4.48Å; D451-H469 VanDerWaalsContact CG-ND1 3.35Å; D451-H469 IonicContact OD1-CE1 2.77Å; D451-H469 IonicContact OD1-CG 3.3Å; D451-H469 IonicContact OD1-ND1 3.66Å; D451-H469 PolarHBondContact OD1-ND1 3.31Å; D451-H469 IonicContact OD2-ND1 3.79Å; D451-H469 PolarHBondContact OD2-ND1 2.77Å; D451-T470 PolarHBondContact OD2-N 3.41Å; D451-W472 PolarHBondContact OD2-NE1 2.77Å
452Y94.9Very high96.3Very high133 Ų13376.5 Ų76.552%0.52240%0.404SS..Hα-helixtrans-59.4-55.3178.3-171.7-69.8000112.9A448 Q449 W472 T473A448-Y452 VanDerWaalsContact O-CB 3.24Å; A448-Y452 WeakPolarHBondContact O-CB 3.49Å; A448-Y452 PolarHBondContact O-N 3.48Å; Q449-Y452 WeakPolarHBondContact O-CB 3.31Å; Q449-Y452 PolarHBondContact O-N 2.91Å; Q449-Y452 VanDerWaalsContact O-N 3.15Å; Y452-W472 HydrophobicContact CD2-CB 3.2Å; Y452-W472 AromaticContact CD2-CD2 3.97Å; Y452-W472 HydrophobicContact CD2-CD2 3.97Å; Y452-W472 HydrophobicContact CD2-CE3 4.34Å; Y452-W472 AromaticContact CD2-CG 3.49Å; Y452-W472 HydrophobicContact CD2-CG 3.49Å; Y452-W472 VanDerWaalsContact CD2-CG 3.49Å; Y452-W472 HydrophobicContact CE2-CB 3.45Å; Y452-W472 VanDerWaalsContact CE2-CB 3.45Å; Y452-W472 HydrophobicContact CE2-CG 4.24Å; Y452-W472 HydrophobicContact CG-CB 3.95Å; Y452-W472 HydrophobicContact CG-CG 4.05Å; Y452-T473 HydrophobicContact CE1-CG2 4.11Å
453F92.8Very high96.1Very high154 Ų15475.6 Ų75.668%0.67539%0.394SS*.Hα-helixtrans-87.7-22.4-174.168.7-109.3000113.5Q449 R450Q449-F453 HydrophobicContact CB-CE1 4.47Å; Q449-F453 WeakPolarHBondContact O-CD1 3.45Å; Q449-F453 VanDerWaalsContact O-CE1 3.3Å; Q449-F453 WeakPolarHBondContact O-CE1 3.49Å; Q449-F453 PolarHBondContact O-N 3.25Å; Q449-F453 VanDerWaalsContact O-N 3.08Å; R450-F453 HydrophobicContact CG-CZ 4.27Å
454G91.8Very high96Very high22 Ų2277.7 Ų77.723%0.22740%0.403CS..Hα-helixtrans-130.31.3-166.800000115.5R450 H456R450-G454 WeakPolarHBondContact O-CA 3.38Å; R450-G454 PolarHBondContact O-N 2.98Å; R450-G454 VanDerWaalsContact O-N 3.07Å; G454-H456 PolarHBondContact O-N 3.18Å; G454-H456 VanDerWaalsContact O-N 3.15Å
455A93.3Very high95.8Very high17 Ų1775.9 Ų75.914%0.1441%0.408CS..  trans51.136.1-176.800000113.2D451 T457 H469 S481D451-A455 VanDerWaalsContact O-CA 3.28Å; D451-A455 WeakPolarHBondContact O-CA 3.39Å; D451-A455 PolarHBondContact O-N 2.88Å; A455-T457 PolarHBondContact O-N 2.89Å; A455-H469 VanDerWaalsContact CB-CE1 3.5Å; A455-H469 WeakPolarHBondContact CB-CE1 3.41Å; A455-S481 PolarHBondContact O-N 3.23Å; A455-S481 PolarHBondContact O-OG 3.15Å
456H93.8Very high95.5Very high67 Ų6775.8 Ų75.831%0.3140%0.404SS..  trans-74.50.2-175.5-71.6-47.7000115.2R450 G454 S481R450-H456 HydrophobicContact CB-CB 4Å; R450-H456 PolarHBondContact O-CD2 3.07Å; G454-H456 PolarHBondContact O-N 3.18Å; G454-H456 VanDerWaalsContact O-N 3.15Å; H456-S481 WeakPolarHBondContact CA-OG 3.22Å; H456-S481 PolarHBondContact ND1-OG 3.14Å; H456-S481 VanDerWaalsContact ND1-OG 3.15Å
457T95.4Very high95.3Very high17 Ų1777.8 Ų77.810%0.10441%0.406CS..  trans61.4164.1-177.175.70000113.6D451 A455 Y467 I468 H469D451-T457 VanDerWaalsContact OD1-CA 3.26Å; D451-T457 WeakPolarHBondContact OD1-CA 3.26Å; D451-T457 PolarHBondContact OD1-N 2.94Å; A455-T457 PolarHBondContact O-N 2.89Å; T457-Y467 WeakPolarHBondContact OG1-CD1 3.43Å; T457-I468 CarbonylContact C-O 3.3Å; T457-I468 VanDerWaalsContact CA-O 3.22Å; T457-I468 WeakPolarHBondContact CA-O 3.3Å; T457-I468 WeakPolarHBondContact CB-O 3.42Å; T457-H469 HydrophobicContact CG2-CB 4.33Å
458Y95.4Very high95.1Very high42 Ų4276.6 Ų76.617%0.16540%0.402CS..EExtended strand (participates in β ladder)trans-152.3168.6173.764.9-89.7000110.4D451 L460 Y467 I468 T470 W472D451-Y458 HydrophobicContact CB-CD1 3.88Å; D451-Y458 HydrophobicContact CB-CE1 4.48Å; Y458-L460 HydrophobicContact CE2-CD2 3.91Å; Y458-L460 HydrophobicContact CE2-CG 4.44Å; Y458-Y467 CarbonylContact O-C 3.52Å; Y458-Y467 WeakPolarHBondContact O-CA 3.28Å; Y458-I468 WeakPolarHBondContact CD1-O 2.87Å; Y458-I468 PolarHBondContact N-O 3.15Å; Y458-I468 PolarHBondContact O-N 3.44Å; Y458-T470 WeakPolarHBondContact CE1-OG1 3.5Å; Y458-T470 PolarHBondContact OH-OG1 3.2Å; Y458-W472 AromaticContact CE1-CZ2 3.97Å; Y458-W472 HydrophobicContact CE1-CZ2 3.97Å
459E97.1Very high95Very high80 Ų8077.7 Ų77.737%0.37440%0.402SS..EExtended strand (participates in β ladder)trans-108.4150.9176.3-57.3-179.5122.200111.1G465 Y467E459-G465 WeakPolarHBondContact OE1-CA 3.5Å; E459-G465 PolarHBondContact OE1-N 3.4Å; E459-Y467 HydrophobicContact CG-CD1 3.67Å; E459-Y467 HydrophobicContact CG-CD2 4.39Å; E459-Y467 HydrophobicContact CG-CE1 3.47Å; E459-Y467 VanDerWaalsContact CG-CE1 3.47Å; E459-Y467 HydrophobicContact CG-CE2 4.24Å; E459-Y467 HydrophobicContact CG-CG 4.13Å; E459-Y467 WeakPolarHBondContact OE1-CE2 3.31Å; E459-Y467 PolarHBondContact OE1-OH 3.42Å
460L96.6Very high94.8Very high76 Ų7674.7 Ų74.740%0.39839%0.391SS..EExtended strand (participates in β ladder)trans-91.3145.1171.8-68.2173000110.8Y458 S462 N463 I468Y458-L460 HydrophobicContact CE2-CD2 3.91Å; Y458-L460 HydrophobicContact CE2-CG 4.44Å; L460-S462 PolarHBondContact O-N 3.15Å; L460-N463 CarbonylContact O-C 3.57Å; L460-N463 VanDerWaalsContact O-C 3.32Å; L460-N463 PolarHBondContact O-N 2.86Å; L460-I468 HydrophobicContact CD1-CD1 3.53Å; L460-I468 HydrophobicContact CG-CD1 3.81Å
461L96.4Very high94.6Very high144 Ų14473.3 Ų73.375%0.75439%0.391SS*.THydrogen-bonded Turntrans-57.3-35.2176.4-64.1172000113.1M440 N463M440-L461 HydrophobicContact CE-CD1 3.45Å; M440-L461 VanDerWaalsContact CE-CD1 3.45Å; M440-L461 HydrophobicContact CE-CD2 3.7Å; M440-L461 HydrophobicContact CE-CG 4.2Å; L461-N463 VanDerWaalsContact C-N 3.31Å
462S96.9Very high94.5Very high110 Ų11078.3 Ų78.377%0.76941%0.409SS*.THydrogen-bonded Turntrans-78.9-11.6-179.458.70000113.9L460L460-S462 PolarHBondContact O-N 3.15Å
463N95.4Very high94.2Very high83 Ų8375.1 Ų75.144%0.44440%0.404SS..EExtended strand (participates in β ladder)trans-148.267-177.8-16727.7000112.5L460 L461 H466L460-N463 CarbonylContact O-C 3.57Å; L460-N463 VanDerWaalsContact O-C 3.32Å; L460-N463 PolarHBondContact O-N 2.86Å; L461-N463 VanDerWaalsContact C-N 3.31Å; N463-H466 WeakPolarHBondContact ND2-CB 3.24Å; N463-H466 PolarHBondContact O-N 2.86Å
464P94.6Very high93.8Very high99 Ų9970.4 Ų70.464%0.64340%0.399SS*.EExtended strand (participates in β ladder)trans-61.2147.1177.7-20.433.7000112.2H466P464-H466 VanDerWaalsContact C-N 3.32Å
465G93.6Very high93Very high61 Ų6177.9 Ų77.963%0.62943%0.428SS*.EExtended strand (participates in β ladder)trans89.1-10.5-17500000114.2E459E459-G465 WeakPolarHBondContact OE1-CA 3.5Å; E459-G465 PolarHBondContact OE1-N 3.4Å
466H93.9Very high91.8Very high103 Ų10378.6 Ų78.648%0.47744%0.436SS..EExtended strand (participates in β ladder)trans-107.8112.5176.4-170.743.4000111.9N463 P464N463-H466 WeakPolarHBondContact ND2-CB 3.24Å; N463-H466 PolarHBondContact O-N 2.86Å; P464-H466 VanDerWaalsContact C-N 3.32Å
467Y94Very high90.5Very high134 Ų13477.8 Ų77.853%0.52545%0.446SS..EExtended strand (participates in β ladder)trans-89132.2-179.6-68.5-87.7000112T457 Y458 E459T457-Y467 WeakPolarHBondContact OG1-CD1 3.43Å; Y458-Y467 CarbonylContact O-C 3.52Å; Y458-Y467 WeakPolarHBondContact O-CA 3.28Å; E459-Y467 HydrophobicContact CG-CD1 3.67Å; E459-Y467 HydrophobicContact CG-CD2 4.39Å; E459-Y467 HydrophobicContact CG-CE1 3.47Å; E459-Y467 VanDerWaalsContact CG-CE1 3.47Å; E459-Y467 HydrophobicContact CG-CE2 4.24Å; E459-Y467 HydrophobicContact CG-CG 4.13Å; E459-Y467 WeakPolarHBondContact OE1-CE2 3.31Å; E459-Y467 PolarHBondContact OE1-OH 3.42Å
468I94Very high89.4Confident48 Ų4884.2 Ų84.225%0.24648%0.48CS..EExtended strand (participates in β ladder)trans-124.8139.1-177.5-60160.5000108.5T457 Y458 L460T457-I468 CarbonylContact C-O 3.3Å; T457-I468 VanDerWaalsContact CA-O 3.22Å; T457-I468 WeakPolarHBondContact CA-O 3.3Å; T457-I468 WeakPolarHBondContact CB-O 3.42Å; Y458-I468 WeakPolarHBondContact CD1-O 2.87Å; Y458-I468 PolarHBondContact N-O 3.15Å; Y458-I468 PolarHBondContact O-N 3.44Å; L460-I468 HydrophobicContact CD1-CD1 3.53Å; L460-I468 HydrophobicContact CG-CD1 3.81Å
469H94.1Very high88.5Confident49 Ų4987.9 Ų87.923%0.22751%0.507CS..  trans-104134164.2173.253.7000109D451 A455 T457D451-H469 VanDerWaalsContact CG-ND1 3.35Å; D451-H469 IonicContact OD1-CE1 2.77Å; D451-H469 IonicContact OD1-CG 3.3Å; D451-H469 IonicContact OD1-ND1 3.66Å; D451-H469 PolarHBondContact OD1-ND1 3.31Å; D451-H469 IonicContact OD2-ND1 3.79Å; D451-H469 PolarHBondContact OD2-ND1 2.77Å; A455-H469 VanDerWaalsContact CB-CE1 3.5Å; A455-H469 WeakPolarHBondContact CB-CE1 3.41Å; T457-H469 HydrophobicContact CG2-CB 4.33Å
470T94.3Very high87.5Confident43 Ų4387 Ų8726%0.26451%0.509SS..  trans-104.8132.5173.3-60.70000110.2D451 Y458 W472D451-T470 PolarHBondContact OD2-N 3.41Å; Y458-T470 WeakPolarHBondContact CE1-OG1 3.5Å; Y458-T470 PolarHBondContact OH-OG1 3.2Å; T470-W472 VanDerWaalsContact C-N 3.28Å; T470-W472 HydrophobicContact CG2-CD2 4.01Å; T470-W472 HydrophobicContact CG2-CE3 4.37Å; T470-W472 HydrophobicContact CG2-CG 4.29Å; T470-W472 HydrophobicContact CG2-CZ2 4.39Å; T470-W472 PolarHBondContact O-N 2.94Å; T470-W472 PolarHBondContact O-NE1 3.07Å
471N92.4Very high86.4Confident58 Ų5884.9 Ų84.931%0.3150%0.501SS..  trans-75.983.9168.4-1794.4000109.8T473 G474 G476N471-T473 VanDerWaalsContact C-N 3.28Å; N471-T473 PolarHBondContact O-N 3.25Å; N471-G474 PolarHBondContact OD1-N 2.93Å; N471-G476 VanDerWaalsContact CG-O 3.23Å; N471-G476 PolarHBondContact ND2-O 3.35Å; N471-G476 PolarHBondContact OD1-N 3.08Å; N471-G476 VanDerWaalsContact OD1-N 3.14Å; N471-G476 PolarHBondContact OD1-O 3.44Å
472W93.1Very high85Confident104 Ų10482.4 Ų82.439%0.39450%0.495SS..THydrogen-bonded Turntrans-66.6-27.1-174.8-60.890.9000114.2A448 D451 Y452 Y458 T470A448-W472 HydrophobicContact CB-CH2 3.95Å; A448-W472 HydrophobicContact CB-CZ2 4.05Å; D451-W472 PolarHBondContact OD2-NE1 2.77Å; Y452-W472 HydrophobicContact CD2-CB 3.2Å; Y452-W472 AromaticContact CD2-CD2 3.97Å; Y452-W472 HydrophobicContact CD2-CD2 3.97Å; Y452-W472 HydrophobicContact CD2-CE3 4.34Å; Y452-W472 AromaticContact CD2-CG 3.49Å; Y452-W472 HydrophobicContact CD2-CG 3.49Å; Y452-W472 VanDerWaalsContact CD2-CG 3.49Å; Y452-W472 HydrophobicContact CE2-CB 3.45Å; Y452-W472 VanDerWaalsContact CE2-CB 3.45Å; Y452-W472 HydrophobicContact CE2-CG 4.24Å; Y452-W472 HydrophobicContact CG-CB 3.95Å; Y452-W472 HydrophobicContact CG-CG 4.05Å; Y458-W472 AromaticContact CE1-CZ2 3.97Å; Y458-W472 HydrophobicContact CE1-CZ2 3.97Å; T470-W472 VanDerWaalsContact C-N 3.28Å; T470-W472 HydrophobicContact CG2-CD2 4.01Å; T470-W472 HydrophobicContact CG2-CE3 4.37Å; T470-W472 HydrophobicContact CG2-CG 4.29Å; T470-W472 HydrophobicContact CG2-CZ2 4.39Å; T470-W472 PolarHBondContact O-N 2.94Å; T470-W472 PolarHBondContact O-NE1 3.07Å
473T90.6Very high83Confident66 Ų6681.7 Ų81.741%0.40549%0.491SS..THydrogen-bonded Turntrans-96.4-11.8-174.6630000113.4Y452 N471 H475 G476Y452-T473 HydrophobicContact CE1-CG2 4.11Å; N471-T473 VanDerWaalsContact C-N 3.28Å; N471-T473 PolarHBondContact O-N 3.25Å; T473-H475 PolarHBondContact O-N 3.09Å; T473-H475 VanDerWaalsContact O-N 3.14Å; T473-H475 PolarHBondContact O-ND1 3.33Å; T473-H475 PolarHBondContact OG1-N 2.96Å; T473-G476 PolarHBondContact OG1-N 3.03Å; T473-G476 VanDerWaalsContact OG1-N 3.1Å
474G82.9Confident80.8Confident55 Ų5587.4 Ų87.457%0.56751%0.507SS*.SBendtrans70.4-4.9-170.700000114.5N471N471-G474 PolarHBondContact OD1-N 2.93Å
475H76.4Confident78.2Confident180 Ų18090.5 Ų90.583%0.83352%0.518SS*.SBendtrans-122-8.5-178.4-57.382.2000112.5T473T473-H475 PolarHBondContact O-N 3.09Å; T473-H475 VanDerWaalsContact O-N 3.14Å; T473-H475 PolarHBondContact O-ND1 3.33Å; T473-H475 PolarHBondContact OG1-N 2.96Å
476G66.4Low75.5Confident31 Ų3195.6 Ų95.632%0.3255%0.554SS.*SBendtrans-71146.4169.700000111N471 T473N471-G476 VanDerWaalsContact CG-O 3.23Å; N471-G476 PolarHBondContact ND2-O 3.35Å; N471-G476 PolarHBondContact OD1-N 3.08Å; N471-G476 VanDerWaalsContact OD1-N 3.14Å; N471-G476 PolarHBondContact OD1-O 3.44Å; T473-G476 PolarHBondContact OG1-N 3.03Å; T473-G476 VanDerWaalsContact OG1-N 3.1Å
477G67.6Low74.6Confident51 Ų5195.2 Ų95.253%0.52656%0.558SS.*  trans-73.2170.5172.300000112.2V479G477-V479 PolarHBondContact O-N 2.83Å; G477-V479 VanDerWaalsContact O-N 3.09Å
478N72.4Confident73.6Confident151 Ų15193.2 Ų93.281%0.80756%0.56SS**SBendtrans-78.419.6176-65.5-20.9000113.5
479V76.1Confident72.5Confident120 Ų12095.7 Ų95.773%0.72758%0.577SS**PPolyproline II helixtrans-95.8116.7-172.8-1780000108.7G477G477-V479 PolarHBondContact O-N 2.83Å; G477-V479 VanDerWaalsContact O-N 3.09Å
480S76.4Confident71.2Confident60 Ų6098.4 Ų98.442%0.4260%0.598SS.*PPolyproline II helixtrans-91.3154174.461.80000111.9S482S480-S482 PolarHBondContact O-N 3.1Å
481S72.2Confident69.8Low33 Ų33101.9 Ų101.923%0.23162%0.619CS.*PPolyproline II helixtrans-64.6131.3166.770.30000108.7A455 H456A455-S481 PolarHBondContact O-N 3.23Å; A455-S481 PolarHBondContact O-OG 3.15Å; H456-S481 WeakPolarHBondContact CA-OG 3.22Å; H456-S481 PolarHBondContact ND1-OG 3.14Å; H456-S481 VanDerWaalsContact ND1-OG 3.15Å
482S67.1Low68.2Low91 Ų91104.8 Ų104.864%0.63664%0.64SS**PPolyproline II helixtrans-67.2139.6167.545.70000108.6S480 Y484S480-S482 PolarHBondContact O-N 3.1Å; S482-Y484 PolarHBondContact O-N 3.14Å
483S55.1Low66.5Low96 Ų96104.9 Ų104.967%0.67166%0.657SS**  trans-57.3109.7178.7-40.90000109.3N485S483-N485 PolarHBondContact O-N 3.31Å; S483-N485 VanDerWaalsContact O-N 3.16Å
484Y50.7Low64.6Low203 Ų203107.8 Ų107.880%0.79668%0.677SS**  trans-72.6102.9164.9-72.5-85.1000106.9S482 A486S482-Y484 PolarHBondContact O-N 3.14Å; Y484-A486 VanDerWaalsContact C-N 3.33Å; Y484-A486 PolarHBondContact O-N 2.84Å; Y484-A486 VanDerWaalsContact O-N 3.11Å
485N39.7Very low63.1Low163 Ų163112.3 Ų112.387%0.87269%0.686SS**  trans-72.796.7161-73.5-15.7000106.2S483S483-N485 PolarHBondContact O-N 3.31Å; S483-N485 VanDerWaalsContact O-N 3.16Å
486A37Very low61.9Low168 Ų168106.1 Ų106.1100%1.38867%0.672SS**  trans-89.20175.400000110.7Y484Y484-A486 VanDerWaalsContact C-N 3.33Å; Y484-A486 PolarHBondContact O-N 2.84Å; Y484-A486 VanDerWaalsContact O-N 3.11Å

Retrieved 486 of 486 residues in 379.4 ms (Link to these results)

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