A0A077Z0U6_TRITR Loading...

protein adenylyltransferase

AlphaFold DB , UniProt , Accession A0A077Z0U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 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
1M43.5Very low78.9Confident236 Ų23695.8 Ų95.8100%1.16353%0.526SS*.  0121.20-88.4174.8-125.100106.8V3M1-V3 PolarHBondContact O-N 3.46Å
2L48.7Very low80.4Confident176 Ų17689.8 Ų89.892%0.92149%0.492SS*.  trans-49.9123.9167.9-80.9146.4000107.2A4L2-A4 PolarHBondContact O-N 3.3Å
3V55.7Low81.7Confident139 Ų13983.9 Ų83.984%0.84246%0.459SS*.  trans-64.296.2171.3-178.30000105.2M1 S5M1-V3 PolarHBondContact O-N 3.46Å; V3-S5 PolarHBondContact O-N 3.23Å
4A62.6Low82.8Confident23 Ų2385.8 Ų85.819%0.1946%0.463CS..  trans-53.9127.6171.700000107.9L2 E6 M38 Q39L2-A4 PolarHBondContact O-N 3.3Å; A4-E6 PolarHBondContact O-N 2.85Å; A4-M38 HydrophobicContact CB-CB 3.93Å; A4-M38 HydrophobicContact CB-CE 3.43Å; A4-M38 VanDerWaalsContact CB-CE 3.43Å; A4-M38 HydrophobicContact CB-CG 4Å; A4-Q39 PolarHBondContact O-NE2 2.97Å; A4-Q39 VanDerWaalsContact O-NE2 3.1Å
5S85.9Confident83.8Confident58 Ų5882.1 Ų82.141%0.40645%0.449SS..  trans-65.1135.7-176.7750000109.5V3 N7 E8 A9V3-S5 PolarHBondContact O-N 3.23Å; S5-N7 PolarHBondContact O-N 3Å; S5-E8 WeakPolarHBondContact O-CB 3.44Å; S5-E8 PolarHBondContact O-N 2.79Å; S5-E8 VanDerWaalsContact OG-CB 3.23Å; S5-E8 WeakPolarHBondContact OG-CB 3.49Å; S5-E8 PolarHBondContact OG-N 3.18Å; S5-A9 PolarHBondContact O-N 2.62Å
6E92.3Very high84.7Confident106 Ų10676.9 Ų76.950%0.49542%0.421SS..Hα-helixtrans-50.8-42176.1-176.2-179.8147.600111.4A4 E8 A9 L10 H42A4-E6 PolarHBondContact O-N 2.85Å; E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.1Å; E6-A9 PolarHBondContact O-N 3.17Å; E6-L10 HydrophobicContact CG-CD1 4.24Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 2.81Å; E6-H42 IonicContact OE1-NE2 3.33Å
7N93.8Very high85.4Confident127 Ų12775.5 Ų75.568%0.67941%0.41SS*.Hα-helixtrans-58.5-39.3176.2-68.2-25.6000113.3S5 A11S5-N7 PolarHBondContact O-N 3Å; N7-A11 WeakPolarHBondContact O-CB 3.18Å; N7-A11 PolarHBondContact O-N 2.66Å
8E95.1Very high86.1Confident103 Ų10377.3 Ų77.348%0.48142%0.416SS..Hα-helixtrans-69-43.3178.2-171.4-178.9-171.800111S5 E6 L10 A11 I12 M38S5-E8 WeakPolarHBondContact O-CB 3.44Å; S5-E8 PolarHBondContact O-N 2.79Å; S5-E8 VanDerWaalsContact OG-CB 3.23Å; S5-E8 WeakPolarHBondContact OG-CB 3.49Å; S5-E8 PolarHBondContact OG-N 3.18Å; E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.1Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 3.4Å; E8-A11 PolarHBondContact O-N 3.22Å; E8-I12 HydrophobicContact CG-CD1 4.15Å; E8-I12 WeakPolarHBondContact O-CD1 3.44Å; E8-I12 VanDerWaalsContact O-CG1 3.29Å; E8-I12 WeakPolarHBondContact O-CG1 3.39Å; E8-I12 PolarHBondContact O-N 2.66Å; E8-M38 HydrophobicContact CB-CE 4.06Å; E8-M38 HydrophobicContact CG-CE 3.74Å
9A96.3Very high86.7Confident0 Ų076 Ų760%041%0.406CS..Hα-helixtrans-62.6-41176.300000111.9S5 E6 I12 M13 M38 Q39 I45S5-A9 PolarHBondContact O-N 2.62Å; E6-A9 PolarHBondContact O-N 3.17Å; A9-I12 PolarHBondContact O-N 2.97Å; A9-M13 PolarHBondContact O-N 2.86Å; A9-M38 HydrophobicContact CB-CB 4Å; A9-Q39 HydrophobicContact CB-CB 4.05Å; A9-Q39 HydrophobicContact CB-CG 3.6Å; A9-I45 HydrophobicContact CB-CD1 3.78Å
10L96.8Very high87.1Confident34 Ų3474.3 Ų74.318%0.17840%0.398CS..Hα-helixtrans-65.1-40.7174.6-72.3173.7000112.4E6 E8 I12 M13 Q14 D44 I45E6-L10 HydrophobicContact CG-CD1 4.24Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 2.81Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 3.4Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 3.15Å; L10-M13 HydrophobicContact CD2-CE 4.03Å; L10-M13 WeakPolarHBondContact O-CB 3.44Å; L10-M13 PolarHBondContact O-N 2.64Å; L10-Q14 WeakPolarHBondContact O-CG 3.47Å; L10-Q14 PolarHBondContact O-N 2.85Å; L10-D44 HydrophobicContact CD2-CB 4.42Å; L10-I45 HydrophobicContact CD2-CG1 4.29Å
11A97.2Very high87.5Confident52 Ų5278.7 Ų78.743%0.4342%0.417SS..Hα-helixtrans-63-39.6175.100000112N7 E8 Q14 A15N7-A11 WeakPolarHBondContact O-CB 3.18Å; N7-A11 PolarHBondContact O-N 2.66Å; E8-A11 PolarHBondContact O-N 3.22Å; A11-Q14 PolarHBondContact O-N 3.02Å; A11-A15 PolarHBondContact O-N 3.04Å
12I97.4Very high90Very high24 Ų2473 Ų7312%0.12339%0.389CS..Hα-helixtrans-64.4-43175.1-68.5159.6000111E8 A9 L10 A15 A16 L31 H34 A35 M38E8-I12 HydrophobicContact CG-CD1 4.15Å; E8-I12 WeakPolarHBondContact O-CD1 3.44Å; E8-I12 VanDerWaalsContact O-CG1 3.29Å; E8-I12 WeakPolarHBondContact O-CG1 3.39Å; E8-I12 PolarHBondContact O-N 2.66Å; A9-I12 PolarHBondContact O-N 2.97Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 3.15Å; I12-A15 PolarHBondContact O-N 3.25Å; I12-A16 PolarHBondContact O-N 3.45Å; I12-L31 HydrophobicContact CG2-CB 4.11Å; I12-L31 HydrophobicContact CG2-CD2 4.09Å; I12-L31 VanDerWaalsContact CG2-O 3.27Å; I12-L31 WeakPolarHBondContact CG2-O 3.45Å; I12-H34 HydrophobicContact CG2-CB 4.37Å; I12-A35 HydrophobicContact CB-CB 4.29Å; I12-A35 HydrophobicContact CG2-CB 3.93Å; I12-M38 HydrophobicContact CD1-CE 3.91Å; I12-M38 HydrophobicContact CD1-SD 3.33Å; I12-M38 WeakPolarHBondContact CD1-SD 3.33Å
13M97.4Very high92.3Very high13 Ų1366.6 Ų66.66%0.06436%0.364CS..Hα-helixtrans-60.1-45.6174.5-179.7-162.572.800111.7A9 L10 A15 A16 Q17 F32 A35 D44 I45 E48A9-M13 PolarHBondContact O-N 2.86Å; L10-M13 HydrophobicContact CD2-CE 4.03Å; L10-M13 WeakPolarHBondContact O-CB 3.44Å; L10-M13 PolarHBondContact O-N 2.64Å; M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 3.34Å; M13-A16 WeakPolarHBondContact O-CA 3.45Å; M13-A16 VanDerWaalsContact O-CB 3.25Å; M13-A16 WeakPolarHBondContact O-CB 3.45Å; M13-A16 PolarHBondContact O-N 3.44Å; M13-A16 VanDerWaalsContact O-N 3.09Å; M13-Q17 PolarHBondContact O-N 3.23Å; M13-F32 HydrophobicContact CG-CD1 4.41Å; M13-F32 HydrophobicContact CG-CE1 4.06Å; M13-A35 HydrophobicContact CB-CB 4.23Å; M13-D44 HydrophobicContact CE-CB 4.46Å; M13-D44 HydrophobicContact SD-CB 4.28Å; M13-I45 HydrophobicContact CB-CG1 4.29Å; M13-I45 HydrophobicContact CG-CG1 4.42Å; M13-I45 HydrophobicContact SD-CB 4.31Å; M13-I45 HydrophobicContact SD-CG1 3.8Å; M13-E48 HydrophobicContact CE-CG 4.4Å; M13-E48 HydrophobicContact CG-CB 4.16Å; M13-E48 HydrophobicContact SD-CB 3.85Å; M13-E48 HydrophobicContact SD-CG 3.86Å
14Q97.3Very high94.2Very high110 Ų11064.7 Ų64.751%0.51435%0.345SS..Hα-helixtrans-61.5-41.4176.7-72.5174.4-3.600111.9L10 A11 A16 Q17 Q18L10-Q14 WeakPolarHBondContact O-CG 3.47Å; L10-Q14 PolarHBondContact O-N 2.85Å; A11-Q14 PolarHBondContact O-N 3.02Å; Q14-A16 VanDerWaalsContact C-N 3.31Å; Q14-A16 PolarHBondContact O-N 3.09Å; Q14-Q17 PolarHBondContact O-N 2.96Å; Q14-Q18 WeakPolarHBondContact O-CG 3.41Å; Q14-Q18 PolarHBondContact O-N 3.33Å; Q14-Q18 VanDerWaalsContact O-N 3.08Å
15A97.4Very high95.8Very high30 Ų3069.1 Ų69.125%0.24836%0.358CS..Hα-helixtrans-61.4-40.817300000111.4A11 I12 M13 Q17 Q18 F19 L31A11-A15 PolarHBondContact O-N 3.04Å; I12-A15 PolarHBondContact O-N 3.25Å; M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 3.34Å; A15-Q17 PolarHBondContact O-N 3.09Å; A15-Q18 WeakPolarHBondContact O-CB 3.29Å; A15-Q18 PolarHBondContact O-N 3.46Å; A15-F19 WeakPolarHBondContact O-CD2 3.26Å; A15-F19 PolarHBondContact O-N 2.88Å; A15-L31 HydrophobicContact CB-CD1 4.16Å
16A97.7Very high96.3Very high0 Ų072.8 Ų72.80%037%0.368CS..Hα-helixtrans-58.1-46.6175.300000111.6I12 M13 Q14 Q18 F19 V20 A28 L31 F32I12-A16 PolarHBondContact O-N 3.45Å; M13-A16 WeakPolarHBondContact O-CA 3.45Å; M13-A16 VanDerWaalsContact O-CB 3.25Å; M13-A16 WeakPolarHBondContact O-CB 3.45Å; M13-A16 PolarHBondContact O-N 3.44Å; M13-A16 VanDerWaalsContact O-N 3.09Å; Q14-A16 VanDerWaalsContact C-N 3.31Å; Q14-A16 PolarHBondContact O-N 3.09Å; A16-Q18 VanDerWaalsContact C-N 3.34Å; A16-Q18 PolarHBondContact O-N 3.24Å; A16-F19 PolarHBondContact O-N 2.89Å; A16-F19 VanDerWaalsContact O-N 3.13Å; A16-V20 WeakPolarHBondContact O-CG2 3.38Å; A16-V20 PolarHBondContact O-N 2.85Å; A16-A28 WeakPolarHBondContact O-CB 3.37Å; A16-L31 HydrophobicContact CB-CB 3.6Å; A16-L31 HydrophobicContact CB-CD1 4.5Å; A16-F32 HydrophobicContact CB-CD1 3.81Å; A16-F32 HydrophobicContact CB-CD2 3.7Å; A16-F32 HydrophobicContact CB-CE1 3.81Å; A16-F32 HydrophobicContact CB-CE2 3.69Å; A16-F32 HydrophobicContact CB-CG 3.75Å; A16-F32 HydrophobicContact CB-CZ 3.75Å
17Q97Very high96.5Very high52 Ų5273.3 Ų73.324%0.24337%0.369CS..Hα-helixtrans-59.1-42175.9-67.3174-47.500112.3M13 Q14 A15 F19 V20 Q21 F32 E48M13-Q17 PolarHBondContact O-N 3.23Å; Q14-Q17 PolarHBondContact O-N 2.96Å; A15-Q17 PolarHBondContact O-N 3.09Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; Q17-F19 PolarHBondContact O-N 3.32Å; Q17-V20 WeakPolarHBondContact O-CB 3.34Å; Q17-V20 PolarHBondContact O-N 2.94Å; Q17-V20 VanDerWaalsContact O-N 3.17Å; Q17-Q21 WeakPolarHBondContact O-CG 3.27Å; Q17-Q21 PolarHBondContact O-N 2.95Å; Q17-F32 HydrophobicContact CG-CE1 4.36Å; Q17-F32 HydrophobicContact CG-CZ 4.03Å; Q17-E48 PolarHBondContact NE2-OE2 2.68Å
18Q97.3Very high96.6Very high109 Ų10967.3 Ų67.351%0.50934%0.337SS..Hα-helixtrans-61.5-41.1175-68.3175.15.300111.6Q14 A15 A16 V20 Q21 M22Q14-Q18 WeakPolarHBondContact O-CG 3.41Å; Q14-Q18 PolarHBondContact O-N 3.33Å; Q14-Q18 VanDerWaalsContact O-N 3.08Å; A15-Q18 WeakPolarHBondContact O-CB 3.29Å; A15-Q18 PolarHBondContact O-N 3.46Å; A16-Q18 VanDerWaalsContact C-N 3.34Å; A16-Q18 PolarHBondContact O-N 3.24Å; Q18-V20 VanDerWaalsContact C-N 3.32Å; Q18-V20 PolarHBondContact O-N 3.39Å; Q18-Q21 PolarHBondContact O-N 2.95Å; Q18-M22 WeakPolarHBondContact O-CG 3.36Å; Q18-M22 PolarHBondContact O-N 3.1Å
19F97.1Very high96.7Very high52 Ų5263 Ų6323%0.22832%0.318CS..Hα-helixtrans-64.9-34.1175.2-80-68.3000112.8A15 A16 Q17 M22 G23 K24 K27 A28 L31A15-F19 WeakPolarHBondContact O-CD2 3.26Å; A15-F19 PolarHBondContact O-N 2.88Å; A16-F19 PolarHBondContact O-N 2.89Å; A16-F19 VanDerWaalsContact O-N 3.13Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; Q17-F19 PolarHBondContact O-N 3.32Å; F19-M22 PolarHBondContact O-N 2.75Å; F19-G23 PolarHBondContact O-N 3.44Å; F19-K24 HydrophobicContact CB-CB 4.25Å; F19-K24 HydrophobicContact CD1-CB 3.76Å; F19-K24 HydrophobicContact CD1-CD 3.63Å; F19-K24 HydrophobicContact CD1-CG 4.34Å; F19-K24 HydrophobicContact CE1-CD 3.91Å; F19-K24 HydrophobicContact CG-CB 4.47Å; F19-K24 WeakPolarHBondContact O-CA 3.28Å; F19-K24 PolarHBondContact O-N 3.21Å; F19-K27 HydrophobicContact CB-CB 4.43Å; F19-K27 HydrophobicContact CD1-CB 3.92Å; F19-K27 HydrophobicContact CD1-CD 3.98Å; F19-K27 HydrophobicContact CD2-CB 4.42Å; F19-K27 HydrophobicContact CE1-CB 4.26Å; F19-K27 HydrophobicContact CE1-CD 3.61Å; F19-K27 HydrophobicContact CG-CB 4Å; F19-K27 HydrophobicContact CZ-CD 4.15Å; F19-A28 HydrophobicContact CB-CB 3.89Å; F19-L31 HydrophobicContact CD2-CD1 3.35Å; F19-L31 HydrophobicContact CE2-CD1 3.54Å; F19-L31 HydrophobicContact CG-CD1 4.49Å
20V96.2Very high96.7Very high41 Ų4169.3 Ų69.325%0.24835%0.345CS..Hα-helixtrans-61.1-47.3171.3178.90000110.5A16 Q17 Q18 M22 G23 Y25 A28 F32 F52 V56A16-V20 WeakPolarHBondContact O-CG2 3.38Å; A16-V20 PolarHBondContact O-N 2.85Å; Q17-V20 WeakPolarHBondContact O-CB 3.34Å; Q17-V20 PolarHBondContact O-N 2.94Å; Q17-V20 VanDerWaalsContact O-N 3.17Å; Q18-V20 VanDerWaalsContact C-N 3.32Å; Q18-V20 PolarHBondContact O-N 3.39Å; V20-M22 PolarHBondContact O-N 3.41Å; V20-G23 PolarHBondContact O-N 3.34Å; V20-Y25 HydrophobicContact CG1-CE1 4.22Å; V20-A28 HydrophobicContact CG2-CB 3.52Å; V20-F32 HydrophobicContact CG2-CE2 3.83Å; V20-F32 HydrophobicContact CG2-CZ 4.47Å; V20-F52 HydrophobicContact CG2-CD2 3.54Å; V20-F52 HydrophobicContact CG2-CE2 3.94Å; V20-V56 HydrophobicContact CG1-CG2 4.39Å
21Q95.4Very high96.8Very high168 Ų16869.8 Ų69.879%0.78535%0.348SS*.Hα-helixtrans-62.1-30.7178.4-66.8174.28.300112.5Q17 Q18 G23Q17-Q21 WeakPolarHBondContact O-CG 3.27Å; Q17-Q21 PolarHBondContact O-N 2.95Å; Q18-Q21 PolarHBondContact O-N 2.95Å; Q21-G23 VanDerWaalsContact C-N 3.26Å; Q21-G23 PolarHBondContact O-N 3.47Å
22M96.3Very high96.8Very high117 Ų11767.4 Ų67.458%0.57633%0.328SS*.THydrogen-bonded Turntrans-80.92.8173.9-65-179.9-169.300114.1Q18 F19 V20 K24Q18-M22 WeakPolarHBondContact O-CG 3.36Å; Q18-M22 PolarHBondContact O-N 3.1Å; F19-M22 PolarHBondContact O-N 2.75Å; V20-M22 PolarHBondContact O-N 3.41Å; M22-K24 HydrophobicContact CB-CD 4.14Å; M22-K24 HydrophobicContact CB-CG 4.26Å; M22-K24 PolarHBondContact O-N 3.33Å; M22-K24 HydrophobicContact SD-CD 4.47Å
23G95.6Very high96.7Very high40 Ų4070.8 Ų70.841%0.41234%0.343SS..THydrogen-bonded Turntrans6914.2-175.600000114.5F19 V20 Q21 Y25F19-G23 PolarHBondContact O-N 3.44Å; V20-G23 PolarHBondContact O-N 3.34Å; Q21-G23 VanDerWaalsContact C-N 3.26Å; Q21-G23 PolarHBondContact O-N 3.47Å; G23-Y25 PolarHBondContact O-N 3.41Å
24K96.4Very high96.7Very high99 Ų9974.5 Ų74.543%0.4336%0.36SS..  trans-9463.2-177.3-70.5173.2178.6165.90110.8F19 M22 E26 K27 A28F19-K24 HydrophobicContact CB-CB 4.25Å; F19-K24 HydrophobicContact CD1-CB 3.76Å; F19-K24 HydrophobicContact CD1-CD 3.63Å; F19-K24 HydrophobicContact CD1-CG 4.34Å; F19-K24 HydrophobicContact CE1-CD 3.91Å; F19-K24 HydrophobicContact CG-CB 4.47Å; F19-K24 WeakPolarHBondContact O-CA 3.28Å; F19-K24 PolarHBondContact O-N 3.21Å; M22-K24 HydrophobicContact CB-CD 4.14Å; M22-K24 HydrophobicContact CB-CG 4.26Å; M22-K24 PolarHBondContact O-N 3.33Å; M22-K24 HydrophobicContact SD-CD 4.47Å; K24-E26 VanDerWaalsContact C-N 3.34Å; K24-E26 PolarHBondContact O-N 3Å; K24-K27 HydrophobicContact CB-CB 4.49Å; K24-K27 PolarHBondContact O-N 3.43Å; K24-A28 PolarHBondContact O-N 2.95Å; K24-A28 VanDerWaalsContact O-N 3.07Å
25Y96.4Very high96.7Very high117 Ų11769.2 Ų69.246%0.45934%0.335SS..Hα-helixtrans-60.8-36.5-170.7-55.2-51.1000114.6V20 G23 K27 A28 S29 F52 V56V20-Y25 HydrophobicContact CG1-CE1 4.22Å; G23-Y25 PolarHBondContact O-N 3.41Å; Y25-K27 VanDerWaalsContact C-N 3.32Å; Y25-K27 PolarHBondContact O-N 2.8Å; Y25-A28 PolarHBondContact O-N 3.48Å; Y25-S29 VanDerWaalsContact O-CB 3.32Å; Y25-S29 WeakPolarHBondContact O-CB 3.49Å; Y25-S29 PolarHBondContact O-N 3.31Å; Y25-F52 HydrophobicContact CD1-CE2 4.45Å; Y25-V56 HydrophobicContact CD1-CB 4.46Å; Y25-V56 HydrophobicContact CD1-CG1 3.59Å; Y25-V56 HydrophobicContact CD1-CG2 3.94Å; Y25-V56 HydrophobicContact CD2-CG1 4.17Å; Y25-V56 HydrophobicContact CE1-CG1 4.21Å; Y25-V56 HydrophobicContact CE1-CG2 4.05Å; Y25-V56 HydrophobicContact CG-CG1 3.57Å
26E95.6Very high96.6Very high134 Ų13471 Ų7163%0.62634%0.337SS*.Hα-helixtrans-64.7-37.9179.3-160.262.1-157.600112.2K24 K30K24-E26 VanDerWaalsContact C-N 3.34Å; K24-E26 PolarHBondContact O-N 3Å; E26-K30 PolarHBondContact O-N 3.46Å
27K96.1Very high96.5Very high118 Ų11876.7 Ų76.751%0.51337%0.368SS..Hα-helixtrans-71.9-44.5175.7-66.5-170.4179.6-169.60111F19 K24 Y25 S29 K30 L31F19-K27 HydrophobicContact CB-CB 4.43Å; F19-K27 HydrophobicContact CD1-CB 3.92Å; F19-K27 HydrophobicContact CD1-CD 3.98Å; F19-K27 HydrophobicContact CD2-CB 4.42Å; F19-K27 HydrophobicContact CE1-CB 4.26Å; F19-K27 HydrophobicContact CE1-CD 3.61Å; F19-K27 HydrophobicContact CG-CB 4Å; F19-K27 HydrophobicContact CZ-CD 4.15Å; K24-K27 HydrophobicContact CB-CB 4.49Å; K24-K27 PolarHBondContact O-N 3.43Å; Y25-K27 VanDerWaalsContact C-N 3.32Å; Y25-K27 PolarHBondContact O-N 2.8Å; K27-S29 VanDerWaalsContact C-N 3.29Å; K27-S29 PolarHBondContact O-N 3.43Å; K27-K30 PolarHBondContact O-N 3.1Å; K27-L31 WeakPolarHBondContact O-CG 3.47Å; K27-L31 PolarHBondContact O-N 3.35Å; K27-L31 VanDerWaalsContact O-N 3.15Å
28A97.3Very high96.4Very high0 Ų075.8 Ų75.80%036%0.364CS..Hα-helixtrans-56.7-45175.500000111.5A16 F19 V20 K24 Y25 K30 L31 F32 F52A16-A28 WeakPolarHBondContact O-CB 3.37Å; F19-A28 HydrophobicContact CB-CB 3.89Å; V20-A28 HydrophobicContact CG2-CB 3.52Å; K24-A28 PolarHBondContact O-N 2.95Å; K24-A28 VanDerWaalsContact O-N 3.07Å; Y25-A28 PolarHBondContact O-N 3.48Å; A28-K30 PolarHBondContact O-N 3.06Å; A28-L31 PolarHBondContact O-N 2.89Å; A28-F32 HydrophobicContact CB-CD2 4.42Å; A28-F32 HydrophobicContact CB-CE2 4.33Å; A28-F32 WeakPolarHBondContact O-CD2 3.31Å; A28-F32 PolarHBondContact O-N 3.02Å; A28-F52 HydrophobicContact CB-CD2 4.45Å; A28-F52 HydrophobicContact CB-CE2 3.91Å; A28-F52 HydrophobicContact CB-CZ 4.42Å
29S96.3Very high96.3Very high12 Ų1272.9 Ų72.98%0.08435%0.35CS..Hα-helixtrans-53.5-51.7177.6178.10000112.5Y25 K27 L31 F32 E33 R57Y25-S29 VanDerWaalsContact O-CB 3.32Å; Y25-S29 WeakPolarHBondContact O-CB 3.49Å; Y25-S29 PolarHBondContact O-N 3.31Å; K27-S29 VanDerWaalsContact C-N 3.29Å; K27-S29 PolarHBondContact O-N 3.43Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.22Å; S29-F32 PolarHBondContact O-N 3.08Å; S29-E33 WeakPolarHBondContact O-CB 3.46Å; S29-E33 PolarHBondContact O-N 3.39Å; S29-R57 PolarHBondContact OG-NH2 3.39Å
30K97.1Very high96Very high134 Ų13473.1 Ų73.158%0.58336%0.357SS*.Hα-helixtrans-63.5-36.9-179.7-69.2179-178.6-1770112.3E26 K27 A28 H34E26-K30 PolarHBondContact O-N 3.46Å; K27-K30 PolarHBondContact O-N 3.1Å; A28-K30 PolarHBondContact O-N 3.06Å; K30-H34 VanDerWaalsContact O-CB 3.32Å; K30-H34 WeakPolarHBondContact O-CB 3.42Å; K30-H34 PolarHBondContact O-N 3.13Å
31L97.5Very high95.9Very high43 Ų4378.5 Ų78.523%0.22537%0.373CS..Hα-helixtrans-73.2-41.3179.2-67.6173.9000112.2I12 A15 A16 F19 K27 A28 S29 E33 H34 A35I12-L31 HydrophobicContact CG2-CB 4.11Å; I12-L31 HydrophobicContact CG2-CD2 4.09Å; I12-L31 VanDerWaalsContact CG2-O 3.27Å; I12-L31 WeakPolarHBondContact CG2-O 3.45Å; A15-L31 HydrophobicContact CB-CD1 4.16Å; A16-L31 HydrophobicContact CB-CB 3.6Å; A16-L31 HydrophobicContact CB-CD1 4.5Å; F19-L31 HydrophobicContact CD2-CD1 3.35Å; F19-L31 HydrophobicContact CE2-CD1 3.54Å; F19-L31 HydrophobicContact CG-CD1 4.49Å; K27-L31 WeakPolarHBondContact O-CG 3.47Å; K27-L31 PolarHBondContact O-N 3.35Å; K27-L31 VanDerWaalsContact O-N 3.15Å; A28-L31 PolarHBondContact O-N 2.89Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 3.22Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.26Å; L31-H34 PolarHBondContact O-N 3.44Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3Å
32F97.7Very high95.9Very high3 Ų371.5 Ų71.51%0.01334%0.34CS..Hα-helixtrans-60.9-44.4173.2-80.2-59.9000111.9M13 A16 Q17 V20 A28 S29 H34 A35 F36 E48 Y49 F52M13-F32 HydrophobicContact CG-CD1 4.41Å; M13-F32 HydrophobicContact CG-CE1 4.06Å; A16-F32 HydrophobicContact CB-CD1 3.81Å; A16-F32 HydrophobicContact CB-CD2 3.7Å; A16-F32 HydrophobicContact CB-CE1 3.81Å; A16-F32 HydrophobicContact CB-CE2 3.69Å; A16-F32 HydrophobicContact CB-CG 3.75Å; A16-F32 HydrophobicContact CB-CZ 3.75Å; Q17-F32 HydrophobicContact CG-CE1 4.36Å; Q17-F32 HydrophobicContact CG-CZ 4.03Å; V20-F32 HydrophobicContact CG2-CE2 3.83Å; V20-F32 HydrophobicContact CG2-CZ 4.47Å; A28-F32 HydrophobicContact CB-CD2 4.42Å; A28-F32 HydrophobicContact CB-CE2 4.33Å; A28-F32 WeakPolarHBondContact O-CD2 3.31Å; A28-F32 PolarHBondContact O-N 3.02Å; S29-F32 PolarHBondContact O-N 3.08Å; F32-H34 VanDerWaalsContact C-N 3.32Å; F32-H34 PolarHBondContact O-N 3.31Å; F32-A35 PolarHBondContact O-N 2.97Å; F32-F36 WeakPolarHBondContact O-CB 3.2Å; F32-F36 PolarHBondContact O-N 3.3Å; F32-E48 HydrophobicContact CE1-CB 4.03Å; F32-Y49 HydrophobicContact CB-CD2 3.35Å; F32-Y49 HydrophobicContact CB-CE2 3.6Å; F32-Y49 HydrophobicContact CB-CG 3.84Å; F32-Y49 HydrophobicContact CD1-CD2 4.32Å; F32-Y49 HydrophobicContact CD1-CG 4.47Å; F32-Y49 HydrophobicContact CD2-CD2 4.29Å; F32-Y49 AromaticContact CG-CD2 3.78Å; F32-Y49 HydrophobicContact CG-CD2 3.78Å; F32-Y49 HydrophobicContact CG-CE2 4.39Å; F32-Y49 HydrophobicContact CG-CG 4.31Å; F32-F52 HydrophobicContact CD2-CB 3.79Å; F32-F52 AromaticContact CD2-CD1 3.82Å; F32-F52 HydrophobicContact CD2-CD1 3.82Å; F32-F52 AromaticContact CD2-CD2 3.99Å; F32-F52 HydrophobicContact CD2-CD2 3.99Å; F32-F52 HydrophobicContact CD2-CE1 4.4Å; F32-F52 AromaticContact CD2-CG 3.58Å; F32-F52 HydrophobicContact CD2-CG 3.58Å; F32-F52 HydrophobicContact CE2-CB 3.48Å; F32-F52 VanDerWaalsContact CE2-CB 3.48Å; F32-F52 HydrophobicContact CE2-CD1 4.27Å; F32-F52 AromaticContact CE2-CD2 3.7Å; F32-F52 HydrophobicContact CE2-CD2 3.7Å; F32-F52 AromaticContact CE2-CG 3.54Å; F32-F52 HydrophobicContact CE2-CG 3.54Å; F32-F52 HydrophobicContact CZ-CB 4.03Å
33E96.4Very high96Very high95 Ų9567 Ų6744%0.44432%0.32SS..Hα-helixtrans-60.9-42.4175.3-176.6171.2-160.100111.3S29 L31 F36 L37S29-E33 WeakPolarHBondContact O-CB 3.46Å; S29-E33 PolarHBondContact O-N 3.39Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.26Å; E33-F36 PolarHBondContact O-N 2.93Å; E33-L37 HydrophobicContact CG-CD1 4.2Å; E33-L37 WeakPolarHBondContact O-CB 3.49Å; E33-L37 VanDerWaalsContact O-CG 3.28Å; E33-L37 WeakPolarHBondContact O-CG 3.35Å; E33-L37 PolarHBondContact O-N 2.94Å
34H96.9Very high96.1Very high90 Ų9068.5 Ų68.542%0.41732%0.318SS..Hα-helixtrans-63.4-46.9176.9-17243.4000112.7I12 K30 L31 F32 F36 L37 M38I12-H34 HydrophobicContact CG2-CB 4.37Å; K30-H34 VanDerWaalsContact O-CB 3.32Å; K30-H34 WeakPolarHBondContact O-CB 3.42Å; K30-H34 PolarHBondContact O-N 3.13Å; L31-H34 PolarHBondContact O-N 3.44Å; F32-H34 VanDerWaalsContact C-N 3.32Å; F32-H34 PolarHBondContact O-N 3.31Å; H34-F36 VanDerWaalsContact C-N 3.32Å; H34-F36 PolarHBondContact O-N 2.97Å; H34-L37 PolarHBondContact O-N 2.98Å; H34-M38 WeakPolarHBondContact O-CG 3.31Å; H34-M38 PolarHBondContact O-N 2.73Å
35A97.1Very high96.1Very high0 Ų063.8 Ų63.80%030%0.297CS..Hα-helixtrans-59.7-43175.600000111.7I12 M13 L31 F32 M38 Q39 I45I12-A35 HydrophobicContact CB-CB 4.29Å; I12-A35 HydrophobicContact CG2-CB 3.93Å; M13-A35 HydrophobicContact CB-CB 4.23Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3Å; F32-A35 PolarHBondContact O-N 2.97Å; A35-M38 PolarHBondContact O-N 3.22Å; A35-Q39 PolarHBondContact O-N 3.28Å; A35-I45 HydrophobicContact CB-CD1 4.3Å; A35-I45 HydrophobicContact CB-CG2 4.03Å
36F95.9Very high96.2Very high66 Ų6658.4 Ų58.429%0.28928%0.277SS..Hα-helixtrans-63-42.9176.1172.6-104.6000112.2F32 E33 H34 M38 Q39 P40 I45 L46 Y49F32-F36 WeakPolarHBondContact O-CB 3.2Å; F32-F36 PolarHBondContact O-N 3.3Å; E33-F36 PolarHBondContact O-N 2.93Å; H34-F36 VanDerWaalsContact C-N 3.32Å; H34-F36 PolarHBondContact O-N 2.97Å; F36-M38 VanDerWaalsContact C-N 3.27Å; F36-M38 PolarHBondContact O-N 3.35Å; F36-Q39 CarbonylContact O-C 3.56Å; F36-Q39 VanDerWaalsContact O-C 3.27Å; F36-Q39 PolarHBondContact O-N 3.4Å; F36-P40 HydrophobicContact CD2-CB 4.24Å; F36-P40 HydrophobicContact CE2-CB 3.82Å; F36-P40 HydrophobicContact CZ-CB 4.01Å; F36-P40 WeakPolarHBondContact O-CA 3.12Å; F36-P40 VanDerWaalsContact O-CB 3.32Å; F36-P40 WeakPolarHBondContact O-CB 3.36Å; F36-P40 VanDerWaalsContact O-CD 3.29Å; F36-P40 WeakPolarHBondContact O-CD 3.5Å; F36-I45 HydrophobicContact CB-CG2 4.26Å; F36-L46 HydrophobicContact CD2-CD2 3.97Å; F36-L46 HydrophobicContact CE2-CD2 3.7Å; F36-Y49 HydrophobicContact CB-CD1 4.16Å; F36-Y49 HydrophobicContact CB-CE1 4.37Å; F36-Y49 HydrophobicContact CG-CD1 4.42Å
37L94.8Very high96.3Very high121 Ų12152 Ų5263%0.63425%0.247SC*.Hα-helixtrans-65.5-30.8177.1-71.7172.5000112.6E33 H34E33-L37 HydrophobicContact CG-CD1 4.2Å; E33-L37 WeakPolarHBondContact O-CB 3.49Å; E33-L37 VanDerWaalsContact O-CG 3.28Å; E33-L37 WeakPolarHBondContact O-CG 3.35Å; E33-L37 PolarHBondContact O-N 2.94Å; H34-L37 PolarHBondContact O-N 2.98Å
38M94.6Very high96.4Very high33 Ų3348.3 Ų48.316%0.16323%0.231CC..Hα-helixtrans-73.5-42.7175.3-70.6171.878.500112.2A4 E8 A9 I12 H34 A35 F36A4-M38 HydrophobicContact CB-CB 3.93Å; A4-M38 HydrophobicContact CB-CE 3.43Å; A4-M38 VanDerWaalsContact CB-CE 3.43Å; A4-M38 HydrophobicContact CB-CG 4Å; E8-M38 HydrophobicContact CB-CE 4.06Å; E8-M38 HydrophobicContact CG-CE 3.74Å; A9-M38 HydrophobicContact CB-CB 4Å; I12-M38 HydrophobicContact CD1-CE 3.91Å; I12-M38 HydrophobicContact CD1-SD 3.33Å; I12-M38 WeakPolarHBondContact CD1-SD 3.33Å; H34-M38 WeakPolarHBondContact O-CG 3.31Å; H34-M38 PolarHBondContact O-N 2.73Å; A35-M38 PolarHBondContact O-N 3.22Å; F36-M38 VanDerWaalsContact C-N 3.27Å; F36-M38 PolarHBondContact O-N 3.35Å
39Q94.6Very high96.4Very high47 Ų4748.9 Ų48.922%0.2223%0.234CC..  trans-137.173.3-176-69.9-66.2-8.500111.1A4 A9 A35 F36 R41 H42 I45A4-Q39 PolarHBondContact O-NE2 2.97Å; A4-Q39 VanDerWaalsContact O-NE2 3.1Å; A9-Q39 HydrophobicContact CB-CB 4.05Å; A9-Q39 HydrophobicContact CB-CG 3.6Å; A35-Q39 PolarHBondContact O-N 3.28Å; F36-Q39 CarbonylContact O-C 3.56Å; F36-Q39 VanDerWaalsContact O-C 3.27Å; F36-Q39 PolarHBondContact O-N 3.4Å; Q39-R41 PolarHBondContact O-N 2.61Å; Q39-R41 VanDerWaalsContact O-N 3.08Å; Q39-H42 HydrophobicContact CB-CB 4.01Å; Q39-H42 PolarHBondContact O-N 2.83Å; Q39-I45 HydrophobicContact CB-CD1 3.84Å
40P92.6Very high96.5Very high58 Ų5848.3 Ų48.338%0.37723%0.23SC..THydrogen-bonded Turntrans-71-9.5-171.125.9-34.8000114.3F36F36-P40 HydrophobicContact CD2-CB 4.24Å; F36-P40 HydrophobicContact CE2-CB 3.82Å; F36-P40 HydrophobicContact CZ-CB 4.01Å; F36-P40 WeakPolarHBondContact O-CA 3.12Å; F36-P40 VanDerWaalsContact O-CB 3.32Å; F36-P40 WeakPolarHBondContact O-CB 3.36Å; F36-P40 VanDerWaalsContact O-CD 3.29Å; F36-P40 WeakPolarHBondContact O-CD 3.5Å
41R93Very high96.5Very high153 Ų15342.7 Ų42.758%0.57721%0.206SC*.THydrogen-bonded Turntrans-107.83.6-178.9-56.3-169.3168.4168.4-2.4113.4Q39 P43 Y73Q39-R41 PolarHBondContact O-N 2.61Å; Q39-R41 VanDerWaalsContact O-N 3.08Å; R41-P43 WeakPolarHBondContact O-CD 3.48Å; R41-Y73 HydrophobicContact CB-CD1 4.05Å; R41-Y73 HydrophobicContact CB-CD2 4.02Å; R41-Y73 HydrophobicContact CB-CE1 3.85Å; R41-Y73 HydrophobicContact CB-CE2 3.83Å; R41-Y73 HydrophobicContact CB-CG 4.13Å; R41-Y73 HydrophobicContact CG-CD1 4.44Å; R41-Y73 HydrophobicContact CG-CE1 3.75Å; R41-Y73 HydrophobicContact CG-CE2 4Å; R41-Y73 VanDerWaalsContact CG-CZ 3.5Å; R41-Y73 WeakPolarHBondContact O-CB 3.31Å; R41-Y73 VanDerWaalsContact O-CD2 3.26Å; R41-Y73 WeakPolarHBondContact O-CD2 3.32Å
42H96.4Very high96.5Very high22 Ų2241 Ų4110%0.10220%0.197CC..  trans-80.5121.5-175.3-165.7-62.4000111.2E6 Q39 D44 I45 L46E6-H42 IonicContact OE1-NE2 3.33Å; Q39-H42 HydrophobicContact CB-CB 4.01Å; Q39-H42 PolarHBondContact O-N 2.83Å; H42-D44 IonicContact CE1-OD2 4Å; H42-D44 PolarHBondContact CE1-OD2 3.4Å; H42-D44 VanDerWaalsContact CE1-OD2 3.31Å; H42-D44 PolarHBondContact ND1-N 3.22Å; H42-D44 IonicContact ND1-OD2 3.56Å; H42-D44 PolarHBondContact O-N 3.24Å; H42-I45 HydrophobicContact CB-CB 4.14Å; H42-I45 HydrophobicContact CB-CD1 3.89Å; H42-I45 HydrophobicContact CB-CG1 4.12Å; H42-I45 PolarHBondContact O-N 3.05Å; H42-L46 WeakPolarHBondContact O-CG 3.04Å; H42-L46 PolarHBondContact O-N 3.49Å
43P97.1Very high96.5Very high22 Ų2240.9 Ų40.914%0.14320%0.196CC..Hα-helixtrans-58.1-44.2-175.6-2735.2000114.5R41 L46 T47 A70 N74 H77R41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-L46 PolarHBondContact O-N 2.96Å; P43-T47 WeakPolarHBondContact O-CB 3.13Å; P43-T47 PolarHBondContact O-N 2.89Å; P43-T47 PolarHBondContact O-OG1 2.93Å; P43-A70 HydrophobicContact CB-CB 4.4Å; P43-N74 HydrophobicContact CB-CB 4.01Å; P43-N74 HydrophobicContact CG-CB 3.51Å; P43-H77 WeakPolarHBondContact CB-CD2 3.45Å
44D97.6Very high96.5Very high71 Ų7137.6 Ų37.638%0.3818%0.181SC..Hα-helixtrans-62.8-47.9178.4-66.6-45.8000112.2L10 M13 H42 L46 T47 E48 H77L10-D44 HydrophobicContact CD2-CB 4.42Å; M13-D44 HydrophobicContact CE-CB 4.46Å; M13-D44 HydrophobicContact SD-CB 4.28Å; H42-D44 IonicContact CE1-OD2 4Å; H42-D44 PolarHBondContact CE1-OD2 3.4Å; H42-D44 VanDerWaalsContact CE1-OD2 3.31Å; H42-D44 PolarHBondContact ND1-N 3.22Å; H42-D44 IonicContact ND1-OD2 3.56Å; H42-D44 PolarHBondContact O-N 3.24Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-L46 PolarHBondContact O-N 2.83Å; D44-T47 PolarHBondContact O-N 2.91Å; D44-T47 VanDerWaalsContact O-N 3.17Å; D44-E48 WeakPolarHBondContact O-CB 3.38Å; D44-E48 WeakPolarHBondContact O-CG 3.43Å; D44-E48 PolarHBondContact O-N 2.81Å; D44-H77 IonicContact OD1-CE1 3.31Å; D44-H77 IonicContact OD1-NE2 3.57Å; D44-H77 PolarHBondContact OD1-NE2 3.3Å
45I97.9Very high96.4Very high0 Ų040.6 Ų40.60%019%0.193CC..Hα-helixtrans-60.7-44.8179.5-64174.8000110.8A9 L10 M13 A35 F36 Q39 H42 Y49A9-I45 HydrophobicContact CB-CD1 3.78Å; L10-I45 HydrophobicContact CD2-CG1 4.29Å; M13-I45 HydrophobicContact CB-CG1 4.29Å; M13-I45 HydrophobicContact CG-CG1 4.42Å; M13-I45 HydrophobicContact SD-CB 4.31Å; M13-I45 HydrophobicContact SD-CG1 3.8Å; A35-I45 HydrophobicContact CB-CD1 4.3Å; A35-I45 HydrophobicContact CB-CG2 4.03Å; F36-I45 HydrophobicContact CB-CG2 4.26Å; Q39-I45 HydrophobicContact CB-CD1 3.84Å; H42-I45 HydrophobicContact CB-CB 4.14Å; H42-I45 HydrophobicContact CB-CD1 3.89Å; H42-I45 HydrophobicContact CB-CG1 4.12Å; H42-I45 PolarHBondContact O-N 3.05Å; I45-Y49 WeakPolarHBondContact O-CB 3.48Å; I45-Y49 PolarHBondContact O-N 3.07Å
46L97.5Very high96.3Very high4 Ų443 Ų432%0.02121%0.207CC..Hα-helixtrans-60.8-45.3175.3-76.6166.6000111.6F36 H42 P43 D44 G50 M66 A69 A70 Y73F36-L46 HydrophobicContact CD2-CD2 3.97Å; F36-L46 HydrophobicContact CE2-CD2 3.7Å; H42-L46 WeakPolarHBondContact O-CG 3.04Å; H42-L46 PolarHBondContact O-N 3.49Å; P43-L46 PolarHBondContact O-N 2.96Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-L46 PolarHBondContact O-N 2.83Å; L46-G50 PolarHBondContact O-N 3.45Å; L46-M66 WeakPolarHBondContact O-CB 3.37Å; L46-A69 HydrophobicContact CD1-CB 4.07Å; L46-A69 HydrophobicContact CD2-CB 4.22Å; L46-A70 HydrophobicContact CB-CB 3.92Å; L46-A70 HydrophobicContact CD1-CB 4.38Å; L46-Y73 HydrophobicContact CD1-CD2 3.8Å; L46-Y73 HydrophobicContact CD1-CE2 3.98Å
47T98.1Very high96.2Very high0 Ų044.9 Ų44.90%021%0.212CC..Hα-helixtrans-67.5-46.9-177.3-55.70000111.6P43 D44 G50 L51 Y67 H77 L79 A80P43-T47 WeakPolarHBondContact O-CB 3.13Å; P43-T47 PolarHBondContact O-N 2.89Å; P43-T47 PolarHBondContact O-OG1 2.93Å; D44-T47 PolarHBondContact O-N 2.91Å; D44-T47 VanDerWaalsContact O-N 3.17Å; T47-G50 PolarHBondContact O-N 3.1Å; T47-L51 PolarHBondContact O-N 2.91Å; T47-Y67 HydrophobicContact CG2-CD1 4.24Å; T47-Y67 HydrophobicContact CG2-CE1 4.27Å; T47-Y67 WeakPolarHBondContact O-CE1 3.5Å; T47-H77 PolarHBondContact OG1-CE1 3.28Å; T47-L79 HydrophobicContact CG2-CB 4.07Å; T47-L79 HydrophobicContact CG2-CD2 3.78Å; T47-L79 HydrophobicContact CG2-CG 3.69Å; T47-A80 HydrophobicContact CG2-CB 4.33Å
48E97.9Very high96.1Very high41 Ų4141.8 Ų41.819%0.19221%0.21CC..Hα-helixtrans-68.9-38179.6-71-60.5151.600112.1M13 Q17 F32 D44 G50 L51 F52 L79M13-E48 HydrophobicContact CE-CG 4.4Å; M13-E48 HydrophobicContact CG-CB 4.16Å; M13-E48 HydrophobicContact SD-CB 3.85Å; M13-E48 HydrophobicContact SD-CG 3.86Å; Q17-E48 PolarHBondContact NE2-OE2 2.68Å; F32-E48 HydrophobicContact CE1-CB 4.03Å; D44-E48 WeakPolarHBondContact O-CB 3.38Å; D44-E48 WeakPolarHBondContact O-CG 3.43Å; D44-E48 PolarHBondContact O-N 2.81Å; E48-G50 VanDerWaalsContact C-N 3.32Å; E48-G50 PolarHBondContact O-N 3.24Å; E48-L51 WeakPolarHBondContact O-CB 3.34Å; E48-L51 PolarHBondContact O-N 3.13Å; E48-F52 PolarHBondContact O-N 3.2Å; E48-L79 WeakPolarHBondContact OE1-CD2 3.49Å
49Y98Very high96.2Very high11 Ų1143.3 Ų43.34%0.04322%0.218CC..Hα-helixtrans-67.6-35.9173.3-170.8-159.9000111.9F32 F36 I45 F52 T53 M66F32-Y49 HydrophobicContact CB-CD2 3.35Å; F32-Y49 HydrophobicContact CB-CE2 3.6Å; F32-Y49 HydrophobicContact CB-CG 3.84Å; F32-Y49 HydrophobicContact CD1-CD2 4.32Å; F32-Y49 HydrophobicContact CD1-CG 4.47Å; F32-Y49 HydrophobicContact CD2-CD2 4.29Å; F32-Y49 AromaticContact CG-CD2 3.78Å; F32-Y49 HydrophobicContact CG-CD2 3.78Å; F32-Y49 HydrophobicContact CG-CE2 4.39Å; F32-Y49 HydrophobicContact CG-CG 4.31Å; F36-Y49 HydrophobicContact CB-CD1 4.16Å; F36-Y49 HydrophobicContact CB-CE1 4.37Å; F36-Y49 HydrophobicContact CG-CD1 4.42Å; I45-Y49 WeakPolarHBondContact O-CB 3.48Å; I45-Y49 PolarHBondContact O-N 3.07Å; Y49-F52 HydrophobicContact CD2-CD1 4.01Å; Y49-F52 AromaticContact CE2-CD1 3.94Å; Y49-F52 HydrophobicContact CE2-CD1 3.94Å; Y49-F52 HydrophobicContact CE2-CE1 4.45Å; Y49-F52 PolarHBondContact O-N 3.14Å; Y49-T53 WeakPolarHBondContact O-CB 3.39Å; Y49-T53 PolarHBondContact O-N 3.32Å; Y49-T53 PolarHBondContact O-OG1 3.14Å; Y49-M66 HydrophobicContact CD1-CE 3.41Å; Y49-M66 VanDerWaalsContact CD1-CE 3.41Å; Y49-M66 HydrophobicContact CD1-SD 3.92Å; Y49-M66 HydrophobicContact CD2-CE 4.49Å; Y49-M66 HydrophobicContact CE1-CE 3.48Å; Y49-M66 VanDerWaalsContact CE1-CE 3.48Å; Y49-M66 HydrophobicContact CG-CE 3.96Å; Y49-M66 HydrophobicContact CG-SD 3.97Å
50G97.8Very high96.3Very high0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-59.8-46.1171.400000111.6L46 T47 E48 F52 T53 E54 A63 M66 Y67L46-G50 PolarHBondContact O-N 3.45Å; T47-G50 PolarHBondContact O-N 3.1Å; E48-G50 VanDerWaalsContact C-N 3.32Å; E48-G50 PolarHBondContact O-N 3.24Å; G50-F52 PolarHBondContact O-N 2.69Å; G50-T53 WeakPolarHBondContact O-CB 3.39Å; G50-T53 PolarHBondContact O-N 2.84Å; G50-E54 PolarHBondContact O-N 2.87Å; G50-A63 VanDerWaalsContact O-CB 3.28Å; G50-A63 WeakPolarHBondContact O-CB 3.46Å; G50-M66 WeakPolarHBondContact CA-SD 3.36Å; G50-M66 PolarHBondContact N-SD 3.17Å; G50-M66 VanDerWaalsContact N-SD 3.38Å; G50-Y67 PolarHBondContact O-OH 3.41Å
51L97.5Very high96.4Very high16 Ų1642 Ų428%0.08421%0.213CC..Hα-helixtrans-58.5-44.2175.2-84.8172.7000113.1T47 E48 E54 K55 Y67 L79 H83T47-L51 PolarHBondContact O-N 2.91Å; E48-L51 WeakPolarHBondContact O-CB 3.34Å; E48-L51 PolarHBondContact O-N 3.13Å; L51-E54 PolarHBondContact O-N 3.46Å; L51-K55 WeakPolarHBondContact O-CB 3.17Å; L51-K55 WeakPolarHBondContact O-CG 3.44Å; L51-K55 PolarHBondContact O-N 2.91Å; L51-Y67 VanDerWaalsContact CA-OH 3.29Å; L51-Y67 WeakPolarHBondContact CA-OH 3.37Å; L51-Y67 HydrophobicContact CG-CE1 4.43Å; L51-Y67 PolarHBondContact N-OH 2.9Å; L51-Y67 VanDerWaalsContact N-OH 3.1Å; L51-L79 HydrophobicContact CD1-CD2 4.22Å; L51-H83 WeakPolarHBondContact CD2-CE1 3.48Å; L51-H83 WeakPolarHBondContact CD2-NE2 3.44Å
52F97.8Very high96.5Very high8 Ų838.5 Ų38.54%0.03520%0.201CC..Hα-helixtrans-61.6-46.2173.7172.3-100.9000111.5V20 Y25 A28 F32 E48 Y49 G50 E54 K55 V56 R57V20-F52 HydrophobicContact CG2-CD2 3.54Å; V20-F52 HydrophobicContact CG2-CE2 3.94Å; Y25-F52 HydrophobicContact CD1-CE2 4.45Å; A28-F52 HydrophobicContact CB-CD2 4.45Å; A28-F52 HydrophobicContact CB-CE2 3.91Å; A28-F52 HydrophobicContact CB-CZ 4.42Å; F32-F52 HydrophobicContact CD2-CB 3.79Å; F32-F52 AromaticContact CD2-CD1 3.82Å; F32-F52 HydrophobicContact CD2-CD1 3.82Å; F32-F52 AromaticContact CD2-CD2 3.99Å; F32-F52 HydrophobicContact CD2-CD2 3.99Å; F32-F52 HydrophobicContact CD2-CE1 4.4Å; F32-F52 AromaticContact CD2-CG 3.58Å; F32-F52 HydrophobicContact CD2-CG 3.58Å; F32-F52 HydrophobicContact CE2-CB 3.48Å; F32-F52 VanDerWaalsContact CE2-CB 3.48Å; F32-F52 HydrophobicContact CE2-CD1 4.27Å; F32-F52 AromaticContact CE2-CD2 3.7Å; F32-F52 HydrophobicContact CE2-CD2 3.7Å; F32-F52 AromaticContact CE2-CG 3.54Å; F32-F52 HydrophobicContact CE2-CG 3.54Å; F32-F52 HydrophobicContact CZ-CB 4.03Å; E48-F52 PolarHBondContact O-N 3.2Å; Y49-F52 HydrophobicContact CD2-CD1 4.01Å; Y49-F52 AromaticContact CE2-CD1 3.94Å; Y49-F52 HydrophobicContact CE2-CD1 3.94Å; Y49-F52 HydrophobicContact CE2-CE1 4.45Å; Y49-F52 PolarHBondContact O-N 3.14Å; G50-F52 PolarHBondContact O-N 2.69Å; F52-E54 VanDerWaalsContact C-N 3.32Å; F52-E54 PolarHBondContact O-N 3.18Å; F52-K55 PolarHBondContact O-N 3.32Å; F52-V56 HydrophobicContact CD2-CB 3.94Å; F52-V56 HydrophobicContact CD2-CG1 4.44Å; F52-V56 HydrophobicContact CD2-CG2 3.6Å; F52-V56 HydrophobicContact CE2-CB 3.78Å; F52-V56 HydrophobicContact CE2-CG1 3.78Å; F52-V56 HydrophobicContact CE2-CG2 3.73Å; F52-V56 HydrophobicContact CG-CG2 4.47Å; F52-V56 HydrophobicContact CZ-CB 4.28Å; F52-V56 HydrophobicContact CZ-CG1 4.09Å; F52-V56 VanDerWaalsContact O-CB 3.25Å; F52-V56 WeakPolarHBondContact O-CB 3.49Å; F52-V56 PolarHBondContact O-N 3.16Å; F52-R57 HydrophobicContact CE1-CG 4.46Å
53T97.3Very high96.5Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-60.6-42.6179.6-60.80000111.4Y49 G50 R57 G58 D59 K62 A63Y49-T53 WeakPolarHBondContact O-CB 3.39Å; Y49-T53 PolarHBondContact O-N 3.32Å; Y49-T53 PolarHBondContact O-OG1 3.14Å; G50-T53 WeakPolarHBondContact O-CB 3.39Å; G50-T53 PolarHBondContact O-N 2.84Å; T53-R57 CarbonylContact O-C 3.5Å; T53-R57 WeakPolarHBondContact O-CA 3.44Å; T53-R57 VanDerWaalsContact O-CB 3.27Å; T53-R57 WeakPolarHBondContact O-CB 3.46Å; T53-R57 PolarHBondContact O-N 3.12Å; T53-G58 PolarHBondContact O-N 3.36Å; T53-D59 HydrophobicContact CG2-CB 3.89Å; T53-D59 PolarHBondContact O-N 3.45Å; T53-K62 HydrophobicContact CG2-CB 3.9Å; T53-K62 HydrophobicContact CG2-CD 4Å; T53-K62 HydrophobicContact CG2-CG 3.94Å; T53-A63 HydrophobicContact CG2-CB 4.48Å
54E96.4Very high96.5Very high26 Ų2636.4 Ų36.412%0.12119%0.19CC..Hα-helixtrans-66.2-56.5177.1-165.7-164.8134.300112G50 L51 F52 G58 V60 A63 Y67 R86 T87G50-E54 PolarHBondContact O-N 2.87Å; L51-E54 PolarHBondContact O-N 3.46Å; F52-E54 VanDerWaalsContact C-N 3.32Å; F52-E54 PolarHBondContact O-N 3.18Å; E54-G58 VanDerWaalsContact O-CA 3.28Å; E54-G58 WeakPolarHBondContact O-CA 3.37Å; E54-G58 PolarHBondContact O-N 3.27Å; E54-G58 VanDerWaalsContact O-N 3.14Å; E54-V60 HydrophobicContact CG-CG2 4.27Å; E54-A63 HydrophobicContact CB-CB 3.63Å; E54-A63 HydrophobicContact CG-CB 4.27Å; E54-Y67 PolarHBondContact OE2-OH 2.85Å; E54-R86 IonicContact OE1-CZ 3.91Å; E54-R86 IonicContact OE1-NH1 3.88Å; E54-R86 PolarHBondContact OE1-NH1 2.83Å; E54-R86 IonicContact OE1-NH2 3.67Å; E54-R86 PolarHBondContact OE1-NH2 3.21Å; E54-R86 IonicContact OE2-CZ 2.86Å; E54-R86 IonicContact OE2-NH1 2.6Å; E54-R86 IonicContact OE2-NH2 3.82Å; E54-R86 PolarHBondContact OE2-NH2 2.99Å; E54-T87 WeakPolarHBondContact OE2-CG2 3.46Å
55K94.7Very high96.4Very high153 Ų15335.2 Ų35.267%0.66518%0.183SC*.Hα-helixtrans-76.7-33.6-168.2-68.8-179178.2175.90113.4L51 F52L51-K55 WeakPolarHBondContact O-CB 3.17Å; L51-K55 WeakPolarHBondContact O-CG 3.44Å; L51-K55 PolarHBondContact O-N 2.91Å; F52-K55 PolarHBondContact O-N 3.32Å
56V95Very high96.3Very high50 Ų5036 Ų3630%0.30319%0.187SC..Hα-helixtrans-100.7-38.9-173.2-176.40000111.4V20 Y25 F52V20-V56 HydrophobicContact CG1-CG2 4.39Å; Y25-V56 HydrophobicContact CD1-CB 4.46Å; Y25-V56 HydrophobicContact CD1-CG1 3.59Å; Y25-V56 HydrophobicContact CD1-CG2 3.94Å; Y25-V56 HydrophobicContact CD2-CG1 4.17Å; Y25-V56 HydrophobicContact CE1-CG1 4.21Å; Y25-V56 HydrophobicContact CE1-CG2 4.05Å; Y25-V56 HydrophobicContact CG-CG1 3.57Å; F52-V56 HydrophobicContact CD2-CB 3.94Å; F52-V56 HydrophobicContact CD2-CG1 4.44Å; F52-V56 HydrophobicContact CD2-CG2 3.6Å; F52-V56 HydrophobicContact CE2-CB 3.78Å; F52-V56 HydrophobicContact CE2-CG1 3.78Å; F52-V56 HydrophobicContact CE2-CG2 3.73Å; F52-V56 HydrophobicContact CG-CG2 4.47Å; F52-V56 HydrophobicContact CZ-CB 4.28Å; F52-V56 HydrophobicContact CZ-CG1 4.09Å; F52-V56 VanDerWaalsContact O-CB 3.25Å; F52-V56 WeakPolarHBondContact O-CB 3.49Å; F52-V56 PolarHBondContact O-N 3.16Å
57R92.8Very high96.3Very high106 Ų10635.9 Ų35.940%0.419%0.186SC..Hα-helixtrans-95.5-12.3-179.3-55.3-177.5171.8-170.80.1113.6S29 F52 T53 D59S29-R57 PolarHBondContact OG-NH2 3.39Å; F52-R57 HydrophobicContact CE1-CG 4.46Å; T53-R57 CarbonylContact O-C 3.5Å; T53-R57 WeakPolarHBondContact O-CA 3.44Å; T53-R57 VanDerWaalsContact O-CB 3.27Å; T53-R57 WeakPolarHBondContact O-CB 3.46Å; T53-R57 PolarHBondContact O-N 3.12Å; R57-D59 HydrophobicContact CB-CB 4.5Å; R57-D59 PolarHBondContact O-N 3.22Å
58G94.2Very high96.1Very high56 Ų5636.3 Ų36.358%0.57719%0.189SC*.  trans68.911.2-176.700000113.9T53 E54 V60T53-G58 PolarHBondContact O-N 3.36Å; E54-G58 VanDerWaalsContact O-CA 3.28Å; E54-G58 WeakPolarHBondContact O-CA 3.37Å; E54-G58 PolarHBondContact O-N 3.27Å; E54-G58 VanDerWaalsContact O-N 3.14Å; G58-V60 PolarHBondContact O-N 2.59Å
59D95.4Very high95.9Very high65 Ų6535.5 Ų35.535%0.34819%0.19SC..  trans-93.679.7-174.9-173.9-10.1000110.3T53 R57 V61 K62 A63T53-D59 HydrophobicContact CG2-CB 3.89Å; T53-D59 PolarHBondContact O-N 3.45Å; R57-D59 HydrophobicContact CB-CB 4.5Å; R57-D59 PolarHBondContact O-N 3.22Å; D59-V61 VanDerWaalsContact C-N 3.28Å; D59-V61 PolarHBondContact O-N 3.13Å; D59-V61 PolarHBondContact OD1-N 2.83Å; D59-K62 HydrophobicContact CB-CB 4.27Å; D59-K62 PolarHBondContact O-N 2.76Å; D59-K62 VanDerWaalsContact OD1-CB 3.28Å; D59-K62 WeakPolarHBondContact OD1-CB 3.49Å; D59-K62 PolarHBondContact OD1-N 2.95Å; D59-K62 WeakPolarHBondContact OD2-CB 3.42Å; D59-A63 WeakPolarHBondContact O-CB 3.45Å; D59-A63 PolarHBondContact O-N 2.88Å
60V96.6Very high95.8Very high36 Ų3635 Ų3522%0.21819%0.188CC..Hα-helixtrans-63.5-33.6-177.6-179.50000111.9E54 G58 N64 T87 L90 V91E54-V60 HydrophobicContact CG-CG2 4.27Å; G58-V60 PolarHBondContact O-N 2.59Å; V60-N64 WeakPolarHBondContact O-CB 3.35Å; V60-N64 PolarHBondContact O-N 3.38Å; V60-T87 HydrophobicContact CG1-CG2 3.97Å; V60-L90 HydrophobicContact CG1-CB 3.9Å; V60-L90 HydrophobicContact CG1-CD1 4.09Å; V60-V91 HydrophobicContact CG1-CG2 4.13Å
61V95.6Very high95.7Very high42 Ų4235.9 Ų35.926%0.25519%0.193SC..Hα-helixtrans-67.5-48.4-179.7177.40000110.4D59 N64 L65 V91 A94D59-V61 VanDerWaalsContact C-N 3.28Å; D59-V61 PolarHBondContact O-N 3.13Å; D59-V61 PolarHBondContact OD1-N 2.83Å; V61-N64 PolarHBondContact O-N 2.97Å; V61-L65 PolarHBondContact O-N 3.29Å; V61-V91 HydrophobicContact CG2-CG2 4.38Å; V61-A94 HydrophobicContact CG2-CB 4.16Å
62K94.8Very high95.4Very high79 Ų7938.4 Ų38.434%0.34321%0.206SC..Hα-helixtrans-66.4-38176.7-174.3173.2178167.30112.1T53 D59 L65 M66T53-K62 HydrophobicContact CG2-CB 3.9Å; T53-K62 HydrophobicContact CG2-CD 4Å; T53-K62 HydrophobicContact CG2-CG 3.94Å; D59-K62 HydrophobicContact CB-CB 4.27Å; D59-K62 PolarHBondContact O-N 2.76Å; D59-K62 VanDerWaalsContact OD1-CB 3.28Å; D59-K62 WeakPolarHBondContact OD1-CB 3.49Å; D59-K62 PolarHBondContact OD1-N 2.95Å; D59-K62 WeakPolarHBondContact OD2-CB 3.42Å; K62-L65 WeakPolarHBondContact O-CB 3.33Å; K62-L65 PolarHBondContact O-N 2.95Å; K62-M66 HydrophobicContact CD-CE 4.47Å; K62-M66 HydrophobicContact CG-CE 4.17Å; K62-M66 WeakPolarHBondContact O-CG 3.48Å; K62-M66 PolarHBondContact O-N 3.45Å; K62-M66 VanDerWaalsContact O-N 3.09Å
63A97.3Very high95.2Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-61.1-47.4174.300000112G50 T53 E54 D59 L65 M66 Y67G50-A63 VanDerWaalsContact O-CB 3.28Å; G50-A63 WeakPolarHBondContact O-CB 3.46Å; T53-A63 HydrophobicContact CG2-CB 4.48Å; E54-A63 HydrophobicContact CB-CB 3.63Å; E54-A63 HydrophobicContact CG-CB 4.27Å; D59-A63 WeakPolarHBondContact O-CB 3.45Å; D59-A63 PolarHBondContact O-N 2.88Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 3.13Å; A63-M66 WeakPolarHBondContact O-CB 3.21Å; A63-M66 PolarHBondContact O-N 2.95Å; A63-M66 VanDerWaalsContact O-N 3.11Å; A63-Y67 HydrophobicContact CB-CE2 3.97Å; A63-Y67 WeakPolarHBondContact O-CD2 3.05Å; A63-Y67 WeakPolarHBondContact O-CE2 3.41Å; A63-Y67 VanDerWaalsContact O-CG 3.32Å; A63-Y67 PolarHBondContact O-N 3.37Å
64N96.8Very high95.1Very high0 Ų045.8 Ų45.80%024%0.239CC..Hα-helixtrans-59.8-39.6176.6-174.3-93.1000112.3V60 V61 M66 Y67 C68 T87 V91 R310V60-N64 WeakPolarHBondContact O-CB 3.35Å; V60-N64 PolarHBondContact O-N 3.38Å; V61-N64 PolarHBondContact O-N 2.97Å; N64-M66 VanDerWaalsContact C-N 3.33Å; N64-M66 PolarHBondContact O-N 2.97Å; N64-Y67 PolarHBondContact O-N 3.38Å; N64-C68 PolarHBondContact O-N 2.94Å; N64-C68 PolarHBondContact O-SG 3.01Å; N64-T87 PolarHBondContact ND2-OG1 3.14Å; N64-V91 HydrophobicContact CB-CG2 3.52Å; N64-R310 PolarHBondContact OD1-NH1 2.84Å; N64-R310 VanDerWaalsContact OD1-NH1 3.11Å; N64-R310 PolarHBondContact OD1-NH2 2.9Å
65L94.8Very high95.1Very high46 Ų4649 Ų4924%0.24126%0.262CS..Hα-helixtrans-60-42.8174.9-179.960.2000111.7V61 K62 A63 C68 A69 I303 P311V61-L65 PolarHBondContact O-N 3.29Å; K62-L65 WeakPolarHBondContact O-CB 3.33Å; K62-L65 PolarHBondContact O-N 2.95Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 3.13Å; L65-C68 PolarHBondContact O-N 3.48Å; L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.49Å; L65-I303 HydrophobicContact CD1-CG2 4.14Å; L65-P311 HydrophobicContact CD1-CG 3.57Å; L65-P311 HydrophobicContact CD2-CG 4.22Å
66M96.2Very high95.2Very high18 Ų1849.9 Ų49.99%0.08927%0.268CS..Hα-helixtrans-64.2-40.3176.1-68.3176.3174.400112.1L46 Y49 G50 K62 A63 N64 C68 A69 A70L46-M66 WeakPolarHBondContact O-CB 3.37Å; Y49-M66 HydrophobicContact CD1-CE 3.41Å; Y49-M66 VanDerWaalsContact CD1-CE 3.41Å; Y49-M66 HydrophobicContact CD1-SD 3.92Å; Y49-M66 HydrophobicContact CD2-CE 4.49Å; Y49-M66 HydrophobicContact CE1-CE 3.48Å; Y49-M66 VanDerWaalsContact CE1-CE 3.48Å; Y49-M66 HydrophobicContact CG-CE 3.96Å; Y49-M66 HydrophobicContact CG-SD 3.97Å; G50-M66 WeakPolarHBondContact CA-SD 3.36Å; G50-M66 PolarHBondContact N-SD 3.17Å; G50-M66 VanDerWaalsContact N-SD 3.38Å; K62-M66 HydrophobicContact CD-CE 4.47Å; K62-M66 HydrophobicContact CG-CE 4.17Å; K62-M66 WeakPolarHBondContact O-CG 3.48Å; K62-M66 PolarHBondContact O-N 3.45Å; K62-M66 VanDerWaalsContact O-N 3.09Å; A63-M66 WeakPolarHBondContact O-CB 3.21Å; A63-M66 PolarHBondContact O-N 2.95Å; A63-M66 VanDerWaalsContact O-N 3.11Å; N64-M66 VanDerWaalsContact C-N 3.33Å; N64-M66 PolarHBondContact O-N 2.97Å; M66-C68 VanDerWaalsContact C-N 3.34Å; M66-C68 PolarHBondContact O-N 3.13Å; M66-A69 PolarHBondContact O-N 3.3Å; M66-A70 PolarHBondContact O-N 2.89Å
67Y97.2Very high95.3Very high0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-64.3-39.3174.5-52.8-41.7000112T47 G50 L51 E54 A63 N64 A70 L71 H83 T87T47-Y67 HydrophobicContact CG2-CD1 4.24Å; T47-Y67 HydrophobicContact CG2-CE1 4.27Å; T47-Y67 WeakPolarHBondContact O-CE1 3.5Å; G50-Y67 PolarHBondContact O-OH 3.41Å; L51-Y67 VanDerWaalsContact CA-OH 3.29Å; L51-Y67 WeakPolarHBondContact CA-OH 3.37Å; L51-Y67 HydrophobicContact CG-CE1 4.43Å; L51-Y67 PolarHBondContact N-OH 2.9Å; L51-Y67 VanDerWaalsContact N-OH 3.1Å; E54-Y67 PolarHBondContact OE2-OH 2.85Å; A63-Y67 HydrophobicContact CB-CE2 3.97Å; A63-Y67 WeakPolarHBondContact O-CD2 3.05Å; A63-Y67 WeakPolarHBondContact O-CE2 3.41Å; A63-Y67 VanDerWaalsContact O-CG 3.32Å; A63-Y67 PolarHBondContact O-N 3.37Å; N64-Y67 PolarHBondContact O-N 3.38Å; Y67-A70 PolarHBondContact O-N 3.4Å; Y67-L71 WeakPolarHBondContact O-CG 3.3Å; Y67-L71 PolarHBondContact O-N 3.03Å; Y67-L71 VanDerWaalsContact O-N 3.12Å; Y67-H83 HydrophobicContact CD1-CB 4.01Å; Y67-H83 HydrophobicContact CD2-CB 3.76Å; Y67-H83 HydrophobicContact CE1-CB 3.77Å; Y67-H83 HydrophobicContact CE2-CB 3.55Å; Y67-H83 HydrophobicContact CG-CB 4.03Å; Y67-T87 HydrophobicContact CE2-CG2 4.01Å
68C94.7Very high95.5Very high9 Ų947.7 Ų47.76%0.06127%0.269CS..Hα-helixtrans-65.8-42.3175.3-63.80000111.2N64 L65 M66 A70 L71 I72 R310N64-C68 PolarHBondContact O-N 2.94Å; N64-C68 PolarHBondContact O-SG 3.01Å; L65-C68 PolarHBondContact O-N 3.48Å; M66-C68 VanDerWaalsContact C-N 3.34Å; M66-C68 PolarHBondContact O-N 3.13Å; C68-A70 VanDerWaalsContact C-N 3.34Å; C68-A70 PolarHBondContact O-N 3.48Å; C68-L71 PolarHBondContact O-N 3.26Å; C68-I72 WeakPolarHBondContact O-CG1 3.29Å; C68-I72 PolarHBondContact O-N 3.28Å; C68-R310 PolarHBondContact SG-NH2 3.17Å
69A93.7Very high95.7Very high25 Ų2547.8 Ų47.821%0.20726%0.256CS..Hα-helixtrans-59.8-42.5173.700000112.1L46 L65 M66 L71 I72 Y73L46-A69 HydrophobicContact CD1-CB 4.07Å; L46-A69 HydrophobicContact CD2-CB 4.22Å; L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.49Å; M66-A69 PolarHBondContact O-N 3.3Å; A69-L71 VanDerWaalsContact C-N 3.3Å; A69-L71 PolarHBondContact O-N 2.95Å; A69-I72 WeakPolarHBondContact O-CB 3.3Å; A69-I72 PolarHBondContact O-N 3.31Å; A69-Y73 WeakPolarHBondContact O-CD2 3.27Å; A69-Y73 PolarHBondContact O-N 3.16Å
70A96.1Very high95.8Very high0 Ų044.7 Ų44.70%024%0.24CC..Hα-helixtrans-59.3-41.6175.800000111.8P43 L46 M66 Y67 C68 I72 Y73 N74 A80P43-A70 HydrophobicContact CB-CB 4.4Å; L46-A70 HydrophobicContact CB-CB 3.92Å; L46-A70 HydrophobicContact CD1-CB 4.38Å; M66-A70 PolarHBondContact O-N 2.89Å; Y67-A70 PolarHBondContact O-N 3.4Å; C68-A70 VanDerWaalsContact C-N 3.34Å; C68-A70 PolarHBondContact O-N 3.48Å; A70-I72 VanDerWaalsContact C-N 3.34Å; A70-I72 PolarHBondContact O-N 3.02Å; A70-Y73 PolarHBondContact O-N 3.24Å; A70-N74 PolarHBondContact O-N 2.88Å; A70-A80 HydrophobicContact CB-CB 3.92Å
71L95.3Very high95.9Very high19 Ų1947.1 Ų47.110%0.09925%0.25CS..Hα-helixtrans-73.5-21.9179.3-65.2174.2000114.2Y67 C68 A69 Y73 N74 P75 H77 A80 I81 R84Y67-L71 WeakPolarHBondContact O-CG 3.3Å; Y67-L71 PolarHBondContact O-N 3.03Å; Y67-L71 VanDerWaalsContact O-N 3.12Å; C68-L71 PolarHBondContact O-N 3.26Å; A69-L71 VanDerWaalsContact C-N 3.3Å; A69-L71 PolarHBondContact O-N 2.95Å; L71-Y73 VanDerWaalsContact C-N 3.31Å; L71-N74 CarbonylContact O-C 3.27Å; L71-P75 VanDerWaalsContact O-CA 3.32Å; L71-P75 WeakPolarHBondContact O-CA 3.47Å; L71-H77 HydrophobicContact CD2-CB 4.24Å; L71-A80 HydrophobicContact CD2-CB 3.79Å; L71-A80 HydrophobicContact CG-CB 3.92Å; L71-I81 HydrophobicContact CD1-CG1 4.43Å; L71-I81 HydrophobicContact CD2-CG1 3.54Å; L71-R84 HydrophobicContact CD1-CB 4.24Å; L71-R84 HydrophobicContact CD1-CG 4.46Å
72I91.8Very high96Very high69 Ų6951.4 Ų51.435%0.35427%0.266SS..Hα-helixtrans-65.6-38.9169.8-70.2164.7000110C68 A69 A70 S306C68-I72 WeakPolarHBondContact O-CG1 3.29Å; C68-I72 PolarHBondContact O-N 3.28Å; A69-I72 WeakPolarHBondContact O-CB 3.3Å; A69-I72 PolarHBondContact O-N 3.31Å; A70-I72 VanDerWaalsContact C-N 3.34Å; A70-I72 PolarHBondContact O-N 3.02Å; I72-S306 VanDerWaalsContact CD1-O 3.26Å; I72-S306 WeakPolarHBondContact CD1-O 3.47Å; I72-S306 WeakPolarHBondContact CG1-O 3.29Å
73Y92.4Very high96.1Very high101 Ų10148.4 Ų48.440%0.39625%0.253SS..Hα-helixtrans-88-30.7-178.9-58.4-60000113.8R41 L46 A69 A70 L71R41-Y73 HydrophobicContact CB-CD1 4.05Å; R41-Y73 HydrophobicContact CB-CD2 4.02Å; R41-Y73 HydrophobicContact CB-CE1 3.85Å; R41-Y73 HydrophobicContact CB-CE2 3.83Å; R41-Y73 HydrophobicContact CB-CG 4.13Å; R41-Y73 HydrophobicContact CG-CD1 4.44Å; R41-Y73 HydrophobicContact CG-CE1 3.75Å; R41-Y73 HydrophobicContact CG-CE2 4Å; R41-Y73 VanDerWaalsContact CG-CZ 3.5Å; R41-Y73 WeakPolarHBondContact O-CB 3.31Å; R41-Y73 VanDerWaalsContact O-CD2 3.26Å; R41-Y73 WeakPolarHBondContact O-CD2 3.32Å; L46-Y73 HydrophobicContact CD1-CD2 3.8Å; L46-Y73 HydrophobicContact CD1-CE2 3.98Å; A69-Y73 WeakPolarHBondContact O-CD2 3.27Å; A69-Y73 PolarHBondContact O-N 3.16Å; A70-Y73 PolarHBondContact O-N 3.24Å; L71-Y73 VanDerWaalsContact C-N 3.31Å
74N95.8Very high96.1Very high62 Ų6253.7 Ų53.733%0.33227%0.273SS..  trans-14193.8172.7-179.3-2.1000110.4P43 A70 L71 E76 H77P43-N74 HydrophobicContact CB-CB 4.01Å; P43-N74 HydrophobicContact CG-CB 3.51Å; A70-N74 PolarHBondContact O-N 2.88Å; L71-N74 CarbonylContact O-C 3.27Å; N74-E76 PolarHBondContact O-N 3.35Å; N74-E76 VanDerWaalsContact O-N 3.14Å; N74-E76 PolarHBondContact OD1-N 2.76Å; N74-E76 VanDerWaalsContact OD1-N 3.14Å; N74-H77 HydrophobicContact CB-CB 4.1Å; N74-H77 VanDerWaalsContact O-CB 3.26Å; N74-H77 WeakPolarHBondContact O-CB 3.49Å; N74-H77 PolarHBondContact O-N 3.46Å; N74-H77 VanDerWaalsContact O-N 3.13Å; N74-H77 PolarHBondContact OD1-N 3.41Å
75P95.5Very high96.1Very high94 Ų9456 Ų5661%0.6130%0.298SS*.THydrogen-bonded Turntrans-59.7-23.1-178.9-26.735.5000115L71L71-P75 VanDerWaalsContact O-CA 3.32Å; L71-P75 WeakPolarHBondContact O-CA 3.47Å
76E97.2Very high96.2Very high171 Ų17158.3 Ų58.380%0.79930%0.303SS*.THydrogen-bonded Turntrans-95.67.5-178.4-60.4-170.8163.800113N74 S78N74-E76 PolarHBondContact O-N 3.35Å; N74-E76 VanDerWaalsContact O-N 3.14Å; N74-E76 PolarHBondContact OD1-N 2.76Å; N74-E76 VanDerWaalsContact OD1-N 3.14Å; E76-S78 PolarHBondContact O-N 2.84Å
77H97.5Very high96.3Very high16 Ų1657.4 Ų57.47%0.07430%0.299CS..  trans-66.694.3-177.8-167.7-81.1000112.2P43 D44 T47 L71 N74 L79 A80 I81P43-H77 WeakPolarHBondContact CB-CD2 3.45Å; D44-H77 IonicContact OD1-CE1 3.31Å; D44-H77 IonicContact OD1-NE2 3.57Å; D44-H77 PolarHBondContact OD1-NE2 3.3Å; T47-H77 PolarHBondContact OG1-CE1 3.28Å; L71-H77 HydrophobicContact CD2-CB 4.24Å; N74-H77 HydrophobicContact CB-CB 4.1Å; N74-H77 VanDerWaalsContact O-CB 3.26Å; N74-H77 WeakPolarHBondContact O-CB 3.49Å; N74-H77 PolarHBondContact O-N 3.46Å; N74-H77 VanDerWaalsContact O-N 3.13Å; N74-H77 PolarHBondContact OD1-N 3.41Å; H77-L79 VanDerWaalsContact C-N 3.35Å; H77-L79 PolarHBondContact O-N 3.16Å; H77-A80 HydrophobicContact CB-CB 4.09Å; H77-A80 VanDerWaalsContact ND1-CB 3.33Å; H77-A80 WeakPolarHBondContact ND1-CB 3.37Å; H77-A80 PolarHBondContact ND1-N 3.46Å; H77-A80 WeakPolarHBondContact O-CB 3.41Å; H77-A80 PolarHBondContact O-N 2.92Å; H77-I81 WeakPolarHBondContact O-CG1 3.29Å; H77-I81 PolarHBondContact O-N 3.2Å
78S97.5Very high96.2Very high93 Ų9359.4 Ų59.465%0.6531%0.308SS*.Hα-helixtrans-51.9-45.2-169.260.90000114.4E76 A80 I81 F82E76-S78 PolarHBondContact O-N 2.84Å; S78-A80 VanDerWaalsContact C-N 3.34Å; S78-A80 PolarHBondContact O-N 3.44Å; S78-I81 PolarHBondContact O-N 3.22Å; S78-F82 PolarHBondContact O-N 2.92Å
79L97.3Very high96.3Very high58 Ų5862.5 Ų62.530%0.30433%0.328SS..Hα-helixtrans-66.6-36.8-180-171.462.2000111.7T47 E48 L51 H77 F82 H83T47-L79 HydrophobicContact CG2-CB 4.07Å; T47-L79 HydrophobicContact CG2-CD2 3.78Å; T47-L79 HydrophobicContact CG2-CG 3.69Å; E48-L79 WeakPolarHBondContact OE1-CD2 3.49Å; L51-L79 HydrophobicContact CD1-CD2 4.22Å; H77-L79 VanDerWaalsContact C-N 3.35Å; H77-L79 PolarHBondContact O-N 3.16Å; L79-F82 PolarHBondContact O-N 2.67Å; L79-H83 WeakPolarHBondContact CD1-NE2 3.32Å; L79-H83 PolarHBondContact O-CD2 2.93Å; L79-H83 PolarHBondContact O-N 2.72Å
80A97.8Very high96.5Very high0 Ų065.8 Ų65.80%034%0.341CS..Hα-helixtrans-71.6-39.617800000111.1T47 A70 L71 H77 S78 F82 R84T47-A80 HydrophobicContact CG2-CB 4.33Å; A70-A80 HydrophobicContact CB-CB 3.92Å; L71-A80 HydrophobicContact CD2-CB 3.79Å; L71-A80 HydrophobicContact CG-CB 3.92Å; H77-A80 HydrophobicContact CB-CB 4.09Å; H77-A80 VanDerWaalsContact ND1-CB 3.33Å; H77-A80 WeakPolarHBondContact ND1-CB 3.37Å; H77-A80 PolarHBondContact ND1-N 3.46Å; H77-A80 WeakPolarHBondContact O-CB 3.41Å; H77-A80 PolarHBondContact O-N 2.92Å; S78-A80 VanDerWaalsContact C-N 3.34Å; S78-A80 PolarHBondContact O-N 3.44Å; A80-F82 VanDerWaalsContact C-N 3.35Å; A80-F82 PolarHBondContact O-N 3.5Å; A80-R84 WeakPolarHBondContact O-CB 3.4Å; A80-R84 PolarHBondContact O-N 3.27Å
81I98.1Very high96.5Very high87 Ų8765.8 Ų65.845%0.44634%0.341SS..Hα-helixtrans-56.8-50.3173.3-63.9174.9000109.9L71 H77 S78 G85L71-I81 HydrophobicContact CD1-CG1 4.43Å; L71-I81 HydrophobicContact CD2-CG1 3.54Å; H77-I81 WeakPolarHBondContact O-CG1 3.29Å; H77-I81 PolarHBondContact O-N 3.2Å; S78-I81 PolarHBondContact O-N 3.22Å; I81-G85 PolarHBondContact O-N 3.45Å
82F97.9Very high96.5Very high133 Ų13370.3 Ų70.358%0.58336%0.362SS*.Hα-helixtrans-60.1-51.9-179.1177.4-99.3000112.1S78 L79 A80 G85 R86S78-F82 PolarHBondContact O-N 2.92Å; L79-F82 PolarHBondContact O-N 2.67Å; A80-F82 VanDerWaalsContact C-N 3.35Å; A80-F82 PolarHBondContact O-N 3.5Å; F82-G85 PolarHBondContact O-N 3.32Å; F82-R86 PolarHBondContact O-N 3.12Å
83H98Very high96.7Very high16 Ų1673 Ų737%0.07437%0.373CS..Hα-helixtrans-70-36.3-177.6-74.9-65.6000113.1L51 Y67 L79 R86 T87L51-H83 WeakPolarHBondContact CD2-CE1 3.48Å; L51-H83 WeakPolarHBondContact CD2-NE2 3.44Å; Y67-H83 HydrophobicContact CD1-CB 4.01Å; Y67-H83 HydrophobicContact CD2-CB 3.76Å; Y67-H83 HydrophobicContact CE1-CB 3.77Å; Y67-H83 HydrophobicContact CE2-CB 3.55Å; Y67-H83 HydrophobicContact CG-CB 4.03Å; L79-H83 WeakPolarHBondContact CD1-NE2 3.32Å; L79-H83 PolarHBondContact O-CD2 2.93Å; L79-H83 PolarHBondContact O-N 2.72Å; H83-R86 PolarHBondContact ND1-NH2 3.32Å; H83-R86 VanDerWaalsContact ND1-NH2 3.18Å; H83-R86 PolarHBondContact O-N 3.07Å; H83-T87 WeakPolarHBondContact O-CB 3.34Å; H83-T87 WeakPolarHBondContact O-CG2 3.28Å; H83-T87 PolarHBondContact O-N 2.87Å; H83-T87 PolarHBondContact O-OG1 3.35Å
84R96.6Very high96.9Very high110 Ų11070.3 Ų70.342%0.41537%0.372SS..Hα-helixtrans-59.4-50.4170.6179.1-176.7166.5-150.2-0.1110.7L71 A80 R86 T87 Q88L71-R84 HydrophobicContact CD1-CB 4.24Å; L71-R84 HydrophobicContact CD1-CG 4.46Å; A80-R84 WeakPolarHBondContact O-CB 3.4Å; A80-R84 PolarHBondContact O-N 3.27Å; R84-R86 VanDerWaalsContact C-N 3.29Å; R84-R86 PolarHBondContact O-N 2.99Å; R84-T87 PolarHBondContact O-N 3.08Å; R84-T87 PolarHBondContact O-OG1 3.38Å; R84-Q88 VanDerWaalsContact O-CB 3.26Å; R84-Q88 WeakPolarHBondContact O-CB 3.3Å; R84-Q88 PolarHBondContact O-N 3.16Å
85G96.7Very high96.9Very high50 Ų5068.9 Ų68.952%0.51536%0.364SS..Hα-helixtrans-57.4-41.7-179.300000112.6I81 F82 P89I81-G85 PolarHBondContact O-N 3.45Å; F82-G85 PolarHBondContact O-N 3.32Å; G85-P89 WeakPolarHBondContact O-CD 3.39Å
86R97Very high97Very high93 Ų9366.4 Ų66.435%0.35135%0.351SS..Hα-helixtrans-70.6-39.3177.4-173.4-17857.174.10.3113.6E54 F82 H83 R84E54-R86 IonicContact OE1-CZ 3.91Å; E54-R86 IonicContact OE1-NH1 3.88Å; E54-R86 PolarHBondContact OE1-NH1 2.83Å; E54-R86 IonicContact OE1-NH2 3.67Å; E54-R86 PolarHBondContact OE1-NH2 3.21Å; E54-R86 IonicContact OE2-CZ 2.86Å; E54-R86 IonicContact OE2-NH1 2.6Å; E54-R86 IonicContact OE2-NH2 3.82Å; E54-R86 PolarHBondContact OE2-NH2 2.99Å; F82-R86 PolarHBondContact O-N 3.12Å; H83-R86 PolarHBondContact ND1-NH2 3.32Å; H83-R86 VanDerWaalsContact ND1-NH2 3.18Å; H83-R86 PolarHBondContact O-N 3.07Å; R84-R86 VanDerWaalsContact C-N 3.29Å; R84-R86 PolarHBondContact O-N 2.99Å
87T97.3Very high97Very high0 Ų062.8 Ų62.80%034%0.335CS..Hα-helixtrans-82.6-20.9-177.452.20000113.2E54 V60 N64 Y67 H83 R84 L90 V91E54-T87 WeakPolarHBondContact OE2-CG2 3.46Å; V60-T87 HydrophobicContact CG1-CG2 3.97Å; N64-T87 PolarHBondContact ND2-OG1 3.14Å; Y67-T87 HydrophobicContact CE2-CG2 4.01Å; H83-T87 WeakPolarHBondContact O-CB 3.34Å; H83-T87 WeakPolarHBondContact O-CG2 3.28Å; H83-T87 PolarHBondContact O-N 2.87Å; H83-T87 PolarHBondContact O-OG1 3.35Å; R84-T87 PolarHBondContact O-N 3.08Å; R84-T87 PolarHBondContact O-OG1 3.38Å; T87-L90 WeakPolarHBondContact O-CB 3.48Å; T87-L90 PolarHBondContact O-N 3.49Å; T87-L90 VanDerWaalsContact O-N 3.15Å; T87-V91 WeakPolarHBondContact O-CG2 3.36Å; T87-V91 PolarHBondContact O-N 3.38Å
88Q96Very high97Very high42 Ų4264.1 Ų64.120%0.19634%0.341CS..Hα-helixtrans-55.2-47.5-175.4-176.967.736.500114.1R84 L90 V91 Q92R84-Q88 VanDerWaalsContact O-CB 3.26Å; R84-Q88 WeakPolarHBondContact O-CB 3.3Å; R84-Q88 PolarHBondContact O-N 3.16Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 2.91Å; Q88-V91 PolarHBondContact O-N 2.84Å; Q88-Q92 WeakPolarHBondContact O-CG 3.25Å; Q88-Q92 PolarHBondContact O-N 3.38Å
89P97.2Very high97Very high73 Ų7360.8 Ų60.847%0.47432%0.316SS..Hα-helixtrans-64.7-35.6179-21.734.7000112.8G85 V91 Q92 E93G85-P89 WeakPolarHBondContact O-CD 3.39Å; P89-V91 VanDerWaalsContact C-N 3.34Å; P89-Q92 PolarHBondContact O-N 3.09Å; P89-E93 PolarHBondContact O-N 3.39Å
90L96.8Very high97Very high95 Ų9566 Ų6650%0.49733%0.332SS..Hα-helixtrans-66.4-38.7177.7-59176.5000111.4V60 T87 Q88 A94V60-L90 HydrophobicContact CG1-CB 3.9Å; V60-L90 HydrophobicContact CG1-CD1 4.09Å; T87-L90 WeakPolarHBondContact O-CB 3.48Å; T87-L90 PolarHBondContact O-N 3.49Å; T87-L90 VanDerWaalsContact O-N 3.15Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 2.91Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 3.22Å
91V96.4Very high97Very high0 Ų068.1 Ų68.10%034%0.344CS..Hα-helixtrans-68.4-40.1175.31730000111.5V60 V61 N64 T87 Q88 P89 E93 A94 D95V60-V91 HydrophobicContact CG1-CG2 4.13Å; V61-V91 HydrophobicContact CG2-CG2 4.38Å; N64-V91 HydrophobicContact CB-CG2 3.52Å; T87-V91 WeakPolarHBondContact O-CG2 3.36Å; T87-V91 PolarHBondContact O-N 3.38Å; Q88-V91 PolarHBondContact O-N 2.84Å; P89-V91 VanDerWaalsContact C-N 3.34Å; V91-E93 VanDerWaalsContact C-N 3.32Å; V91-E93 PolarHBondContact O-N 3.01Å; V91-A94 PolarHBondContact O-N 3.48Å; V91-D95 WeakPolarHBondContact O-CB 3.44Å; V91-D95 VanDerWaalsContact O-CG 3.23Å; V91-D95 PolarHBondContact O-N 2.89Å
92Q95.4Very high97Very high113 Ų11364 Ų6453%0.52832%0.323SS..Hα-helixtrans-61.5-41.2175.7-74.3171.9-36.200111.9Q88 P89 D95 A96Q88-Q92 WeakPolarHBondContact O-CG 3.25Å; Q88-Q92 PolarHBondContact O-N 3.38Å; P89-Q92 PolarHBondContact O-N 3.09Å; Q92-D95 PolarHBondContact O-N 2.97Å; Q92-A96 WeakPolarHBondContact O-CB 3.32Å; Q92-A96 PolarHBondContact O-N 2.94Å
93E96.8Very high97Very high126 Ų12659.7 Ų59.759%0.58931%0.307SS*.Hα-helixtrans-66.2-42.7175.4-173.660.2-158.900111.9P89 V91 D95 A96 E97P89-E93 PolarHBondContact O-N 3.39Å; V91-E93 VanDerWaalsContact C-N 3.32Å; V91-E93 PolarHBondContact O-N 3.01Å; E93-D95 VanDerWaalsContact C-N 3.34Å; E93-D95 PolarHBondContact O-N 2.82Å; E93-A96 PolarHBondContact O-N 3.42Å; E93-E97 WeakPolarHBondContact O-CB 3.3Å; E93-E97 PolarHBondContact O-N 3.23Å
94A96.1Very high97Very high44 Ų4463.9 Ų63.936%0.36433%0.326SS..Hα-helixtrans-61.8-41.417600000112.3V61 L90 V91 M98V61-A94 HydrophobicContact CG2-CB 4.16Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 3.22Å; V91-A94 PolarHBondContact O-N 3.48Å; A94-M98 PolarHBondContact O-N 3.16Å; A94-M98 VanDerWaalsContact O-N 3.07Å
95D96.7Very high97.1Very high32 Ų3259.7 Ų59.717%0.17131%0.312CS..Hα-helixtrans-65.8-43.4175.8-70-21.7000111.1V91 Q92 E93 M98 L99 R314V91-D95 WeakPolarHBondContact O-CB 3.44Å; V91-D95 VanDerWaalsContact O-CG 3.23Å; V91-D95 PolarHBondContact O-N 2.89Å; Q92-D95 PolarHBondContact O-N 2.97Å; E93-D95 VanDerWaalsContact C-N 3.34Å; E93-D95 PolarHBondContact O-N 2.82Å; D95-M98 WeakPolarHBondContact O-CB 3.48Å; D95-M98 PolarHBondContact O-N 3.28Å; D95-L99 WeakPolarHBondContact O-CG 3.43Å; D95-L99 PolarHBondContact O-N 3.26Å; D95-L99 VanDerWaalsContact O-N 3.15Å; D95-R314 IonicContact OD1-CZ 2.76Å; D95-R314 IonicContact OD1-NE 3.11Å; D95-R314 PolarHBondContact OD1-NE 3.31Å; D95-R314 IonicContact OD1-NH2 3.87Å; D95-R314 PolarHBondContact OD1-NH2 3.25Å; D95-R314 IonicContact OD2-CZ 2.61Å; D95-R314 IonicContact OD2-NE 3.75Å; D95-R314 IonicContact OD2-NH2 2.68Å; D95-R314 PolarHBondContact OD2-NH2 2.89Å
96A96.9Very high97.1Very high42 Ų4258.5 Ų58.535%0.34729%0.293SS..Hα-helixtrans-62.5-43.9177.100000112Q92 E93 M98 L99 R100Q92-A96 WeakPolarHBondContact O-CB 3.32Å; Q92-A96 PolarHBondContact O-N 2.94Å; E93-A96 PolarHBondContact O-N 3.42Å; A96-M98 PolarHBondContact O-N 2.82Å; A96-L99 PolarHBondContact O-N 3.43Å; A96-R100 WeakPolarHBondContact O-CG 3.44Å; A96-R100 PolarHBondContact O-N 3.22Å
97E97.2Very high97.1Very high96 Ų9660 Ų6045%0.44930%0.299SS..Hα-helixtrans-63.6-40.8177.3178.956.3-165.500111.8E93 L99 R100 V101E93-E97 WeakPolarHBondContact O-CB 3.3Å; E93-E97 PolarHBondContact O-N 3.23Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.44Å; E97-R100 PolarHBondContact O-N 2.85Å; E97-R100 VanDerWaalsContact O-N 3.15Å; E97-V101 WeakPolarHBondContact O-CG2 3.26Å; E97-V101 PolarHBondContact O-N 3.25Å
98M96.9Very high97.1Very high43 Ų4364.3 Ų64.321%0.21232%0.315CS..Hα-helixtrans-56.7-43.3173.9-180-176.959.900111.6A94 D95 A96 V101 L102 R314 A317A94-M98 PolarHBondContact O-N 3.16Å; A94-M98 VanDerWaalsContact O-N 3.07Å; D95-M98 WeakPolarHBondContact O-CB 3.48Å; D95-M98 PolarHBondContact O-N 3.28Å; A96-M98 PolarHBondContact O-N 2.82Å; M98-V101 PolarHBondContact O-N 2.94Å; M98-L102 WeakPolarHBondContact O-CG 3.22Å; M98-L102 PolarHBondContact O-N 2.86Å; M98-R314 HydrophobicContact CE-CB 4.33Å; M98-R314 HydrophobicContact CE-CG 3.88Å; M98-A317 HydrophobicContact CE-CB 3.46Å; M98-A317 VanDerWaalsContact CE-CB 3.46Å; M98-A317 HydrophobicContact CG-CB 4.23Å; M98-A317 HydrophobicContact SD-CB 3.57Å; M98-A317 VanDerWaalsContact SD-CB 3.57Å
99L97.8Very high97.1Very high24 Ų2462.3 Ų62.313%0.12631%0.306CS..Hα-helixtrans-67.9-38.7176.5-61.7-179.3000112.2D95 A96 E97 V101 L102 D103 H245 V247D95-L99 WeakPolarHBondContact O-CG 3.43Å; D95-L99 PolarHBondContact O-N 3.26Å; D95-L99 VanDerWaalsContact O-N 3.15Å; A96-L99 PolarHBondContact O-N 3.43Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.44Å; L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 PolarHBondContact O-N 2.86Å; L99-L102 HydrophobicContact CD2-CD1 4.25Å; L99-L102 WeakPolarHBondContact O-CB 3.17Å; L99-L102 PolarHBondContact O-N 3.38Å; L99-L102 VanDerWaalsContact O-N 3.11Å; L99-D103 PolarHBondContact O-N 3.08Å; L99-H245 HydrophobicContact CD1-CB 3.93Å; L99-V247 HydrophobicContact CD2-CB 4.35Å; L99-V247 HydrophobicContact CD2-CG1 4.5Å
100R97.9Very high97Very high167 Ų16762 Ų6263%0.6330%0.299SS*.Hα-helixtrans-62.1-37.2175.8-69.8178.475.588.42.8112.8A96 E97 D103 H104A96-R100 WeakPolarHBondContact O-CG 3.44Å; A96-R100 PolarHBondContact O-N 3.22Å; E97-R100 PolarHBondContact O-N 2.85Å; E97-R100 VanDerWaalsContact O-N 3.15Å; R100-D103 PolarHBondContact O-N 3.36Å; R100-H104 PolarHBondContact O-N 2.99Å; R100-H104 VanDerWaalsContact O-N 3.1Å
101V97.7Very high96.9Very high44 Ų4467.3 Ų67.327%0.26731%0.313SS..Hα-helixtrans-63.1-43.7173.3171.80000110.5E97 M98 L99 D103 H104 D105E97-V101 WeakPolarHBondContact O-CG2 3.26Å; E97-V101 PolarHBondContact O-N 3.25Å; M98-V101 PolarHBondContact O-N 2.94Å; L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 PolarHBondContact O-N 2.86Å; V101-D103 PolarHBondContact O-N 3.46Å; V101-H104 WeakPolarHBondContact O-CB 3.07Å; V101-H104 PolarHBondContact O-N 3Å; V101-H104 VanDerWaalsContact O-N 3.14Å; V101-D105 PolarHBondContact O-N 3.47Å
102L98.3Very high96.8Very high0 Ų068.1 Ų68.10%032%0.317CS..Hα-helixtrans-61.6-41.6176.2-66.6178.4000112.4M98 L99 H104 D105 Q106 V247 F284 A317 T320 K321 L324M98-L102 WeakPolarHBondContact O-CG 3.22Å; M98-L102 PolarHBondContact O-N 2.86Å; L99-L102 HydrophobicContact CD2-CD1 4.25Å; L99-L102 WeakPolarHBondContact O-CB 3.17Å; L99-L102 PolarHBondContact O-N 3.38Å; L99-L102 VanDerWaalsContact O-N 3.11Å; L102-H104 VanDerWaalsContact C-N 3.28Å; L102-H104 PolarHBondContact O-N 3.38Å; L102-D105 PolarHBondContact O-N 2.97Å; L102-Q106 WeakPolarHBondContact O-CB 3.47Å; L102-Q106 PolarHBondContact O-N 3.46Å; L102-V247 HydrophobicContact CD1-CB 4.4Å; L102-V247 HydrophobicContact CD1-CG1 4.06Å; L102-V247 HydrophobicContact CD1-CG2 3.99Å; L102-F284 HydrophobicContact CB-CE1 4.3Å; L102-A317 HydrophobicContact CD1-CB 3.88Å; L102-T320 HydrophobicContact CD1-CG2 4.38Å; L102-T320 HydrophobicContact CD2-CG2 4.09Å; L102-K321 VanDerWaalsContact CD2-CA 3.49Å; L102-K321 HydrophobicContact CD2-CB 3.63Å; L102-K321 HydrophobicContact CD2-CG 4.31Å; L102-L324 HydrophobicContact CD2-CD1 4.16Å
103D98Very high96.6Very high44 Ų4466.4 Ų66.424%0.23532%0.316CS..Hα-helixtrans-60.9-37.5174.3-77.2-23.8000112.3L99 R100 V101 R107 H245L99-D103 PolarHBondContact O-N 3.08Å; R100-D103 PolarHBondContact O-N 3.36Å; V101-D103 PolarHBondContact O-N 3.46Å; D103-R107 WeakPolarHBondContact O-CB 3.4Å; D103-R107 WeakPolarHBondContact O-CG 3.33Å; D103-R107 PolarHBondContact O-N 3.47Å; D103-R107 VanDerWaalsContact O-N 3.08Å; D103-R107 PolarHBondContact O-NE 3.46Å; D103-H245 IonicContact OD1-CD2 2.61Å; D103-H245 IonicContact OD1-NE2 2.69Å; D103-H245 PolarHBondContact OD1-NE2 3.23Å; D103-H245 VanDerWaalsContact OD1-NE2 3.11Å; D103-H245 IonicContact OD2-NE2 3.3Å
104H97.7Very high96.2Very high103 Ų10364.5 Ų64.548%0.47730%0.303SS..Hα-helixtrans-64.7-49.6175.7-178.983.5000111.4R100 V101 L102 R107 R108R100-H104 PolarHBondContact O-N 2.99Å; R100-H104 VanDerWaalsContact O-N 3.1Å; V101-H104 WeakPolarHBondContact O-CB 3.07Å; V101-H104 PolarHBondContact O-N 3Å; V101-H104 VanDerWaalsContact O-N 3.14Å; L102-H104 VanDerWaalsContact C-N 3.28Å; L102-H104 PolarHBondContact O-N 3.38Å; H104-R107 PolarHBondContact O-N 2.84Å; H104-R108 PolarHBondContact O-N 3.34Å
105D97.7Very high95.9Very high23 Ų2368.6 Ų68.612%0.12332%0.319CS..Hα-helixtrans-67.2-37.1-179.3-71.7-19.4000112.1V101 L102 R108 F109 L324 L328V101-D105 PolarHBondContact O-N 3.47Å; L102-D105 PolarHBondContact O-N 2.97Å; D105-R108 WeakPolarHBondContact O-CB 3.13Å; D105-R108 PolarHBondContact O-N 3.08Å; D105-F109 WeakPolarHBondContact O-CB 3.27Å; D105-F109 PolarHBondContact O-N 3.35Å; D105-L324 HydrophobicContact CB-CB 4.19Å; D105-L324 HydrophobicContact CB-CD1 3.9Å; D105-L328 HydrophobicContact CB-CD1 3.96Å
106Q97.6Very high95.7Very high25 Ų2568.6 Ų68.612%0.11732%0.319CS..Hα-helixtrans-62.5-44.4173.4-179-125.240.300111.5L102 R108 F109 L110 A282 F284 L324L102-Q106 WeakPolarHBondContact O-CB 3.47Å; L102-Q106 PolarHBondContact O-N 3.46Å; Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.29Å; Q106-F109 WeakPolarHBondContact O-CB 3.35Å; Q106-F109 PolarHBondContact O-N 3.44Å; Q106-L110 HydrophobicContact CG-CD1 4.21Å; Q106-L110 WeakPolarHBondContact O-CG 2.84Å; Q106-L110 PolarHBondContact O-N 3.21Å; Q106-A282 PolarHBondContact NE2-O 3.2Å; Q106-F284 HydrophobicContact CB-CD1 4.06Å; Q106-F284 HydrophobicContact CB-CE1 3.63Å; Q106-F284 HydrophobicContact CB-CZ 3.91Å; Q106-F284 HydrophobicContact CG-CD1 3.96Å; Q106-F284 HydrophobicContact CG-CD2 4.1Å; Q106-F284 HydrophobicContact CG-CE1 3.83Å; Q106-F284 HydrophobicContact CG-CE2 3.97Å; Q106-F284 HydrophobicContact CG-CG 4.09Å; Q106-F284 HydrophobicContact CG-CZ 3.82Å; Q106-F284 VanDerWaalsContact NE2-CE2 3.29Å; Q106-L324 HydrophobicContact CB-CD1 4.45Å
107R97.4Very high95.5Very high125 Ų12575.5 Ų75.547%0.47234%0.336SS..Hα-helixtrans-62.1-35.4173.5-76.6-177.3-68-105.7-3.5112.8D103 H104 R111D103-R107 WeakPolarHBondContact O-CB 3.4Å; D103-R107 WeakPolarHBondContact O-CG 3.33Å; D103-R107 PolarHBondContact O-N 3.47Å; D103-R107 VanDerWaalsContact O-N 3.08Å; D103-R107 PolarHBondContact O-NE 3.46Å; H104-R107 PolarHBondContact O-N 2.84Å; R107-R111 VanDerWaalsContact O-CG 3.28Å; R107-R111 WeakPolarHBondContact O-CG 3.38Å; R107-R111 PolarHBondContact O-N 3.39Å
108R96.4Very high95.3Very high90 Ų9071.2 Ų71.234%0.3432%0.316SS..Hα-helixtrans-65.3-47172.7-71.6-178.663.2-154.1-2.1110.7H104 D105 Q106 L110 R111 L328 D332H104-R108 PolarHBondContact O-N 3.34Å; D105-R108 WeakPolarHBondContact O-CB 3.13Å; D105-R108 PolarHBondContact O-N 3.08Å; Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.29Å; R108-L110 PolarHBondContact O-N 2.81Å; R108-R111 WeakPolarHBondContact O-CB 3.47Å; R108-R111 PolarHBondContact O-N 3.32Å; R108-R111 VanDerWaalsContact O-N 3.14Å; R108-L328 HydrophobicContact CB-CD1 4.34Å; R108-L328 HydrophobicContact CB-CD2 3.72Å; R108-D332 IonicContact NH2-OD1 2.94Å; R108-D332 IonicContact NH2-OD2 2.6Å; R108-D332 PolarHBondContact NH2-OD2 3.15Å
109F96Very high95.1Very high0 Ų069.1 Ų69.10%031%0.306CS..Hα-helixtrans-58.5-47.3179.3173.4-100000112D105 Q106 R111 I112 L119 P285 L324 Y327 L328 V357D105-F109 WeakPolarHBondContact O-CB 3.27Å; D105-F109 PolarHBondContact O-N 3.35Å; Q106-F109 WeakPolarHBondContact O-CB 3.35Å; Q106-F109 PolarHBondContact O-N 3.44Å; F109-R111 PolarHBondContact O-N 3.08Å; F109-I112 HydrophobicContact CD2-CD1 4.34Å; F109-I112 WeakPolarHBondContact O-CB 3.38Å; F109-I112 WeakPolarHBondContact O-CG1 3.49Å; F109-I112 PolarHBondContact O-N 2.89Å; F109-I112 VanDerWaalsContact O-N 3.13Å; F109-L119 HydrophobicContact CE2-CD1 3.78Å; F109-L119 HydrophobicContact CZ-CD1 4.42Å; F109-P285 HydrophobicContact CE1-CB 4.22Å; F109-P285 HydrophobicContact CE1-CG 4.4Å; F109-P285 HydrophobicContact CE2-CB 4.26Å; F109-P285 HydrophobicContact CE2-CG 4.42Å; F109-P285 HydrophobicContact CZ-CB 3.86Å; F109-P285 HydrophobicContact CZ-CG 4.29Å; F109-L324 HydrophobicContact CB-CD2 3.76Å; F109-L324 HydrophobicContact CG-CD2 4.05Å; F109-Y327 HydrophobicContact CD2-CG 4.21Å; F109-Y327 AromaticContact CE2-CD1 3.96Å; F109-Y327 HydrophobicContact CE2-CD1 3.96Å; F109-Y327 HydrophobicContact CE2-CD2 4.13Å; F109-Y327 AromaticContact CE2-CG 3.73Å; F109-Y327 HydrophobicContact CE2-CG 3.73Å; F109-L328 HydrophobicContact CB-CD2 4.39Å; F109-V357 HydrophobicContact CE1-CB 4.09Å; F109-V357 HydrophobicContact CE1-CG1 3.97Å; F109-V357 HydrophobicContact CE1-CG2 4.13Å; F109-V357 HydrophobicContact CZ-CB 4.44Å; F109-V357 HydrophobicContact CZ-CG2 4.15Å
110L95.2Very high94.8Very high65 Ų6569.5 Ų69.534%0.3431%0.308SS..Hα-helixtrans-64.6-20.4178.5-70.7174.7000114Q106 R108 G283 N358Q106-L110 HydrophobicContact CG-CD1 4.21Å; Q106-L110 WeakPolarHBondContact O-CG 2.84Å; Q106-L110 PolarHBondContact O-N 3.21Å; R108-L110 PolarHBondContact O-N 2.81Å; L110-G283 WeakPolarHBondContact CD2-O 3.37Å; L110-N358 WeakPolarHBondContact CD2-O 3.34Å
111R95.4Very high94.5Very high208 Ų20869.3 Ų69.379%0.78531%0.307SS*.THydrogen-bonded Turntrans-82.2-12.8176.6-75.5172.8178-172.5-0.1113.5R107 R108 F109 P113R107-R111 VanDerWaalsContact O-CG 3.28Å; R107-R111 WeakPolarHBondContact O-CG 3.38Å; R107-R111 PolarHBondContact O-N 3.39Å; R108-R111 WeakPolarHBondContact O-CB 3.47Å; R108-R111 PolarHBondContact O-N 3.32Å; R108-R111 VanDerWaalsContact O-N 3.14Å; F109-R111 PolarHBondContact O-N 3.08Å; R111-P113 WeakPolarHBondContact O-CD 3.32Å
112I93.5Very high94.3Very high17 Ų1767.9 Ų67.99%0.08730%0.3CS..SBendtrans-69.4126.7179.4-59166.4000108.6F109 R114 N116 L119 L328 V331F109-I112 HydrophobicContact CD2-CD1 4.34Å; F109-I112 WeakPolarHBondContact O-CB 3.38Å; F109-I112 WeakPolarHBondContact O-CG1 3.49Å; F109-I112 PolarHBondContact O-N 2.89Å; F109-I112 VanDerWaalsContact O-N 3.13Å; I112-R114 PolarHBondContact O-N 3.39Å; I112-N116 HydrophobicContact CG2-CB 3.89Å; I112-L119 HydrophobicContact CB-CD2 4.17Å; I112-L119 HydrophobicContact CG2-CB 4.07Å; I112-L119 HydrophobicContact CG2-CD2 3.73Å; I112-L119 HydrophobicContact CG2-CG 4.38Å; I112-L328 HydrophobicContact CD1-CD2 4.05Å; I112-V331 HydrophobicContact CD1-CB 4.2Å; I112-V331 HydrophobicContact CD1-CG1 4.16Å; I112-V331 HydrophobicContact CD1-CG2 4.05Å; I112-V331 HydrophobicContact CG1-CG1 4.24Å; I112-V331 HydrophobicContact CG2-CG1 4.01Å; I112-V331 HydrophobicContact CG2-CG2 4.17Å
113P92.4Very high94Very high77 Ų7768.3 Ų68.350%0.530%0.303SS..  trans-56.5131176.5-25.734.9000111.7R111 N115 N116R111-P113 WeakPolarHBondContact O-CD 3.32Å; P113-N115 WeakPolarHBondContact CB-OD1 3.24Å; P113-N115 PolarHBondContact O-N 3.34Å; P113-N115 VanDerWaalsContact O-N 3.08Å; P113-N116 WeakPolarHBondContact O-CB 3.32Å; P113-N116 PolarHBondContact O-N 3.06Å
114R88.2Confident93.8Very high86 Ų8670.9 Ų70.933%0.32531%0.309SS..THydrogen-bonded Turntrans-62.5-18.6-178.4-65-67179.2-158-6.4114.2I112 V357 N358I112-R114 PolarHBondContact O-N 3.39Å; R114-V357 PolarHBondContact NE-O 2.85Å; R114-V357 VanDerWaalsContact NE-O 3.14Å; R114-V357 PolarHBondContact NH1-O 2.84Å; R114-V357 PolarHBondContact NH2-O 3.37Å; R114-N358 PolarHBondContact NE-OXT 3.44Å; R114-N358 PolarHBondContact NH2-O 3.29Å; R114-N358 PolarHBondContact NH2-OXT 3.31Å
115N89.3Confident93.6Very high130 Ų13069.5 Ų69.570%0.69530%0.303SS*.THydrogen-bonded Turntrans-89.32.6173.766.3-17.2000113.7P113 R117P113-N115 WeakPolarHBondContact CB-OD1 3.24Å; P113-N115 PolarHBondContact O-N 3.34Å; P113-N115 VanDerWaalsContact O-N 3.08Å; N115-R117 PolarHBondContact O-N 3.48Å
116N91.5Very high93.4Very high31 Ų3169 Ų6917%0.16630%0.301CS..  trans-62.2125.8174.3179.4-59.4000109.6I112 P113 A118 L119 I120I112-N116 HydrophobicContact CG2-CB 3.89Å; P113-N116 WeakPolarHBondContact O-CB 3.32Å; P113-N116 PolarHBondContact O-N 3.06Å; N116-A118 WeakPolarHBondContact OD1-CA 3.43Å; N116-A118 WeakPolarHBondContact OD1-CB 3.47Å; N116-A118 PolarHBondContact OD1-N 2.82Å; N116-L119 HydrophobicContact CB-CB 4Å; N116-L119 PolarHBondContact O-N 2.96Å; N116-L119 PolarHBondContact OD1-N 2.85Å; N116-I120 VanDerWaalsContact O-CG1 3.32Å; N116-I120 WeakPolarHBondContact O-CG1 3.37Å; N116-I120 PolarHBondContact O-N 3.2Å
117R92.5Very high93.4Very high188 Ų18867.8 Ų67.871%0.70930%0.296SS*.Hα-helixtrans-68.3-38.3-173.5-67.1-178.667.5-165-1.6112.6N115 I120 R121N115-R117 PolarHBondContact O-N 3.48Å; R117-I120 PolarHBondContact O-N 2.79Å; R117-R121 WeakPolarHBondContact O-CB 3.34Å; R117-R121 PolarHBondContact O-N 3.04Å
118A93.3Very high93.3Very high5 Ų561.8 Ų61.84%0.04127%0.273CS..Hα-helixtrans-64.7-44.4175.700000111N116 I120 R121 A122 E330 V331 D334N116-A118 WeakPolarHBondContact OD1-CA 3.43Å; N116-A118 WeakPolarHBondContact OD1-CB 3.47Å; N116-A118 PolarHBondContact OD1-N 2.82Å; A118-I120 PolarHBondContact O-N 2.83Å; A118-R121 PolarHBondContact O-N 3.48Å; A118-A122 WeakPolarHBondContact O-CB 3.06Å; A118-A122 PolarHBondContact O-N 2.82Å; A118-E330 HydrophobicContact CB-CG 4.33Å; A118-V331 HydrophobicContact CB-CG2 4.17Å; A118-D334 HydrophobicContact CB-CB 3.53Å
119L93Very high93.4Very high0 Ų058.6 Ų58.60%027%0.265CS..Hα-helixtrans-58.5-49.9174.4179.463.3000111.5F109 I112 N116 R121 A122 M123 Y327 V331F109-L119 HydrophobicContact CE2-CD1 3.78Å; F109-L119 HydrophobicContact CZ-CD1 4.42Å; I112-L119 HydrophobicContact CB-CD2 4.17Å; I112-L119 HydrophobicContact CG2-CB 4.07Å; I112-L119 HydrophobicContact CG2-CD2 3.73Å; I112-L119 HydrophobicContact CG2-CG 4.38Å; N116-L119 HydrophobicContact CB-CB 4Å; N116-L119 PolarHBondContact O-N 2.96Å; N116-L119 PolarHBondContact OD1-N 2.85Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 3.18Å; L119-A122 PolarHBondContact O-N 3.25Å; L119-M123 HydrophobicContact CD1-CG 4.11Å; L119-M123 HydrophobicContact CD1-SD 4.16Å; L119-M123 HydrophobicContact CD2-SD 4.47Å; L119-M123 HydrophobicContact CG-CG 4.34Å; L119-M123 HydrophobicContact CG-SD 3.97Å; L119-M123 WeakPolarHBondContact O-CB 3.49Å; L119-M123 VanDerWaalsContact O-CG 3.25Å; L119-M123 WeakPolarHBondContact O-CG 3.4Å; L119-M123 PolarHBondContact O-N 3.49Å; L119-Y327 HydrophobicContact CD1-CD1 3.86Å; L119-Y327 HydrophobicContact CD1-CE1 4.36Å; L119-V331 HydrophobicContact CB-CG2 4.09Å
120I91.5Very high93.4Very high31 Ų3158.9 Ų58.916%0.15927%0.266CS..Hα-helixtrans-57.8-44178.7-72169.2000111.1N116 R117 A118 M123 R124 F348N116-I120 VanDerWaalsContact O-CG1 3.32Å; N116-I120 WeakPolarHBondContact O-CG1 3.37Å; N116-I120 PolarHBondContact O-N 3.2Å; R117-I120 PolarHBondContact O-N 2.79Å; A118-I120 PolarHBondContact O-N 2.83Å; I120-M123 PolarHBondContact O-N 2.99Å; I120-R124 PolarHBondContact O-N 2.94Å; I120-R124 VanDerWaalsContact O-N 3.08Å; I120-F348 HydrophobicContact CG2-CD1 4.25Å; I120-F348 HydrophobicContact CG2-CD2 3.4Å; I120-F348 HydrophobicContact CG2-CE1 4.01Å; I120-F348 HydrophobicContact CG2-CE2 3.11Å; I120-F348 HydrophobicContact CG2-CG 3.97Å; I120-F348 HydrophobicContact CG2-CZ 3.45Å; I120-F348 VanDerWaalsContact CG2-CZ 3.45Å
121R92.1Very high93.6Very high163 Ų16355.8 Ų55.862%0.61525%0.25SS*.Hα-helixtrans-61.5-50.4176.4-177-175.6-179.7-173.3-3.8111R117 A118 L119 M123 R124 E125R117-R121 WeakPolarHBondContact O-CB 3.34Å; R117-R121 PolarHBondContact O-N 3.04Å; A118-R121 PolarHBondContact O-N 3.48Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 3.18Å; R121-M123 VanDerWaalsContact C-N 3.31Å; R121-M123 PolarHBondContact O-N 3.33Å; R121-R124 PolarHBondContact O-N 3.41Å; R121-E125 HydrophobicContact CG-CG 4.46Å; R121-E125 WeakPolarHBondContact O-CG 3.32Å; R121-E125 PolarHBondContact O-N 3.37Å
122A93.2Very high93.7Very high15 Ų1548 Ų4812%0.12422%0.221CC..Hα-helixtrans-58.3-42.2178.400000111.8A118 L119 R124 E125 A126 Y327 E330A118-A122 WeakPolarHBondContact O-CB 3.06Å; A118-A122 PolarHBondContact O-N 2.82Å; L119-A122 PolarHBondContact O-N 3.25Å; A122-R124 PolarHBondContact O-N 2.95Å; A122-E125 PolarHBondContact O-N 3.44Å; A122-A126 WeakPolarHBondContact O-CB 3.25Å; A122-A126 PolarHBondContact O-N 3.49Å; A122-Y327 HydrophobicContact CB-CD1 3.65Å; A122-Y327 HydrophobicContact CB-CE1 3.73Å; A122-E330 HydrophobicContact CB-CB 4.48Å; A122-E330 HydrophobicContact CB-CG 4.27Å
123M92.9Very high94Very high9 Ų948 Ų484%0.04422%0.22CC..Hα-helixtrans-64-40.4178-69.6179.5109.600112.2L119 I120 R121 Y127 Y327 T354 I355 V357L119-M123 HydrophobicContact CD1-CG 4.11Å; L119-M123 HydrophobicContact CD1-SD 4.16Å; L119-M123 HydrophobicContact CD2-SD 4.47Å; L119-M123 HydrophobicContact CG-CG 4.34Å; L119-M123 HydrophobicContact CG-SD 3.97Å; L119-M123 WeakPolarHBondContact O-CB 3.49Å; L119-M123 VanDerWaalsContact O-CG 3.25Å; L119-M123 WeakPolarHBondContact O-CG 3.4Å; L119-M123 PolarHBondContact O-N 3.49Å; I120-M123 PolarHBondContact O-N 2.99Å; R121-M123 VanDerWaalsContact C-N 3.31Å; R121-M123 PolarHBondContact O-N 3.33Å; M123-Y127 PolarHBondContact O-N 2.6Å; M123-Y327 HydrophobicContact CB-CE1 4.37Å; M123-Y327 HydrophobicContact CG-CE1 3.62Å; M123-T354 HydrophobicContact CB-CG2 4.11Å; M123-I355 HydrophobicContact CE-CB 4.25Å; M123-I355 HydrophobicContact CE-CG2 4.11Å; M123-I355 WeakPolarHBondContact CE-O 3.4Å; M123-V357 HydrophobicContact CE-CB 4.3Å; M123-V357 HydrophobicContact CE-CG2 3.77Å
124R92.2Very high94.3Very high97 Ų9744.5 Ų44.537%0.36620%0.198SC..Hα-helixtrans-67.3-43.1176-178.6172.6174.2171.5-3111.9I120 R121 A122 Y127 F128 E152I120-R124 PolarHBondContact O-N 2.94Å; I120-R124 VanDerWaalsContact O-N 3.08Å; R121-R124 PolarHBondContact O-N 3.41Å; A122-R124 PolarHBondContact O-N 2.95Å; R124-Y127 WeakPolarHBondContact O-CB 3.22Å; R124-Y127 PolarHBondContact O-N 2.94Å; R124-F128 HydrophobicContact CG-CE2 3.87Å; R124-F128 WeakPolarHBondContact O-CD2 3.36Å; R124-E152 IonicContact CZ-OE1 2.79Å; R124-E152 IonicContact NH2-OE1 3.42Å; R124-E152 PolarHBondContact NH2-OE1 2.93Å
125E93.5Very high94.7Very high74 Ų7440.4 Ų40.435%0.34618%0.182SC..Hα-helixtrans-65-42.6177.5-67.3-66135.300111.4R121 A122 Y127 F128 S129 R148R121-E125 HydrophobicContact CG-CG 4.46Å; R121-E125 WeakPolarHBondContact O-CG 3.32Å; R121-E125 PolarHBondContact O-N 3.37Å; A122-E125 PolarHBondContact O-N 3.44Å; E125-Y127 VanDerWaalsContact C-N 3.3Å; E125-Y127 PolarHBondContact O-N 2.9Å; E125-F128 PolarHBondContact O-N 3.45Å; E125-S129 WeakPolarHBondContact O-CB 3.22Å; E125-S129 PolarHBondContact O-N 2.87Å; E125-R148 VanDerWaalsContact CD-NH1 3.33Å; E125-R148 IonicContact OE1-CZ 3.63Å; E125-R148 IonicContact OE1-NH1 2.73Å; E125-R148 PolarHBondContact OE1-NH1 3.48Å; E125-R148 IonicContact OE1-NH2 2.94Å; E125-R148 IonicContact OE2-CZ 2.66Å; E125-R148 IonicContact OE2-NH1 3.32Å; E125-R148 PolarHBondContact OE2-NH1 2.94Å; E125-R148 IonicContact OE2-NH2 2.98Å; E125-R148 PolarHBondContact OE2-NH2 3.2Å
126A94.7Very high95.2Very high12 Ų1234.7 Ų34.710%0.09915%0.153CC..Hα-helixtrans-62.1-34.2175.700000112.7A122 S129 H130 I288 Y327 I355A122-A126 WeakPolarHBondContact O-CB 3.25Å; A122-A126 PolarHBondContact O-N 3.49Å; A126-S129 PolarHBondContact O-N 2.99Å; A126-H130 VanDerWaalsContact O-CB 3.28Å; A126-H130 WeakPolarHBondContact O-CB 3.35Å; A126-H130 PolarHBondContact O-N 3.3Å; A126-I288 HydrophobicContact CB-CD1 4.38Å; A126-Y327 WeakPolarHBondContact CB-OH 3.41Å; A126-I355 HydrophobicContact CB-CD1 3.93Å
127Y96.3Very high95.5Very high0 Ų033.2 Ų33.20%015%0.145CC..Hα-helixtrans-58.3-49.6175.3-174.7-85000111.7M123 R124 E125 I131 D172 L175 K176 R353 I355M123-Y127 PolarHBondContact O-N 2.6Å; R124-Y127 WeakPolarHBondContact O-CB 3.22Å; R124-Y127 PolarHBondContact O-N 2.94Å; E125-Y127 VanDerWaalsContact C-N 3.3Å; E125-Y127 PolarHBondContact O-N 2.9Å; Y127-I131 HydrophobicContact CD1-CD1 4.01Å; Y127-I131 HydrophobicContact CE1-CD1 3.48Å; Y127-I131 VanDerWaalsContact CE1-CD1 3.48Å; Y127-I131 PolarHBondContact O-N 3.42Å; Y127-D172 WeakPolarHBondContact CE1-OD1 3.41Å; Y127-D172 PolarHBondContact OH-O 3Å; Y127-D172 VanDerWaalsContact OH-O 3.13Å; Y127-D172 PolarHBondContact OH-OD1 2.76Å; Y127-L175 HydrophobicContact CD2-CD2 3.62Å; Y127-L175 HydrophobicContact CD2-CG 4.2Å; Y127-L175 HydrophobicContact CE2-CB 4.25Å; Y127-L175 HydrophobicContact CE2-CD2 3.48Å; Y127-L175 VanDerWaalsContact CE2-CD2 3.48Å; Y127-L175 HydrophobicContact CE2-CG 3.7Å; Y127-L175 HydrophobicContact CG-CD2 4.28Å; Y127-K176 WeakPolarHBondContact OH-CG 3.23Å; Y127-R353 HydrophobicContact CD1-CB 4.02Å; Y127-R353 HydrophobicContact CD1-CG 4.46Å; Y127-R353 HydrophobicContact CE1-CB 3.99Å; Y127-R353 HydrophobicContact CE1-CG 3.97Å; Y127-R353 HydrophobicContact CG-CB 4.34Å; Y127-I355 HydrophobicContact CD2-CG1 4.18Å
128F96.9Very high95.6Very high0 Ų027 Ų270%012%0.124CC..Hα-helixtrans-67.8-39.7176.9-61.4-65000112.1R124 E125 I131 Y132 L144 R148 L151 E152R124-F128 HydrophobicContact CG-CE2 3.87Å; R124-F128 WeakPolarHBondContact O-CD2 3.36Å; E125-F128 PolarHBondContact O-N 3.45Å; F128-I131 PolarHBondContact O-N 2.89Å; F128-Y132 PolarHBondContact O-N 3.19Å; F128-L144 HydrophobicContact CB-CD1 4.43Å; F128-R148 HydrophobicContact CD1-CB 4.35Å; F128-R148 HydrophobicContact CD1-CG 4.16Å; F128-R148 HydrophobicContact CD2-CG 4.25Å; F128-R148 HydrophobicContact CE1-CG 4.23Å; F128-R148 HydrophobicContact CE2-CG 4.31Å; F128-R148 HydrophobicContact CG-CB 4.41Å; F128-R148 HydrophobicContact CG-CG 4.17Å; F128-R148 HydrophobicContact CZ-CG 4.3Å; F128-L151 HydrophobicContact CD1-CB 4.23Å; F128-L151 HydrophobicContact CD1-CD1 3.86Å; F128-L151 HydrophobicContact CE1-CB 3.91Å; F128-L151 HydrophobicContact CE1-CD1 4.29Å; F128-E152 HydrophobicContact CE1-CG 4Å; F128-E152 HydrophobicContact CZ-CG 3.73Å
129S97.1Very high95.8Very high23 Ų2328.7 Ų28.716%0.16114%0.142CC..Hα-helixtrans-62.5-42.5179-172.50000112E125 A126 I131 Y132 H133E125-S129 WeakPolarHBondContact O-CB 3.22Å; E125-S129 PolarHBondContact O-N 2.87Å; A126-S129 PolarHBondContact O-N 2.99Å; S129-I131 PolarHBondContact O-N 3.07Å; S129-Y132 PolarHBondContact O-N 3.2Å; S129-H133 WeakPolarHBondContact O-CB 3.47Å; S129-H133 PolarHBondContact O-CD2 3.28Å; S129-H133 PolarHBondContact O-N 2.75Å; S129-H133 PolarHBondContact OG-CD2 3.06Å
130H97.5Very high96.1Very high6 Ų629.2 Ų29.23%0.02815%0.145CC..Hα-helixtrans-58-50.1176.2-177.4-79.3000111.6A126 Y132 H133 T134 N276 I288A126-H130 VanDerWaalsContact O-CB 3.28Å; A126-H130 WeakPolarHBondContact O-CB 3.35Å; A126-H130 PolarHBondContact O-N 3.3Å; H130-Y132 PolarHBondContact O-N 2.89Å; H130-H133 PolarHBondContact O-N 3.49Å; H130-T134 WeakPolarHBondContact O-CB 3.17Å; H130-T134 WeakPolarHBondContact O-CG2 3.19Å; H130-T134 PolarHBondContact O-N 3.48Å; H130-N276 PolarHBondContact NE2-ND2 3.36Å; H130-I288 HydrophobicContact CB-CD1 4.46Å; H130-I288 HydrophobicContact CB-CG1 4.27Å
131I98.2Very high96.4Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-63.2-43.9179.3-64.9169.7000110.8Y127 F128 S129 T134 V135 T147 L151 I168 M171 D172 L175Y127-I131 HydrophobicContact CD1-CD1 4.01Å; Y127-I131 HydrophobicContact CE1-CD1 3.48Å; Y127-I131 VanDerWaalsContact CE1-CD1 3.48Å; Y127-I131 PolarHBondContact O-N 3.42Å; F128-I131 PolarHBondContact O-N 2.89Å; S129-I131 PolarHBondContact O-N 3.07Å; I131-T134 WeakPolarHBondContact O-CG2 3.34Å; I131-V135 VanDerWaalsContact O-CG2 3.31Å; I131-V135 WeakPolarHBondContact O-CG2 3.49Å; I131-V135 PolarHBondContact O-N 2.85Å; I131-T147 HydrophobicContact CB-CG2 4.48Å; I131-T147 HydrophobicContact CG2-CG2 3.98Å; I131-L151 HydrophobicContact CB-CD1 4.35Å; I131-L151 HydrophobicContact CD1-CD1 3.55Å; I131-L151 HydrophobicContact CG2-CD1 4.16Å; I131-I168 HydrophobicContact CG2-CB 4.46Å; I131-I168 HydrophobicContact CG2-CG2 3.99Å; I131-M171 HydrophobicContact CG1-CB 4.27Å; I131-M171 HydrophobicContact CG2-CB 3.88Å; I131-D172 HydrophobicContact CD1-CB 3.96Å; I131-L175 HydrophobicContact CD1-CD2 4.46Å; I131-L175 HydrophobicContact CG1-CD2 4.25Å
132Y98.5Very high96.7Very high45 Ų4524.2 Ų24.218%0.17613%0.134CC..Hα-helixtrans-58.6-54.6176.5162.5-109.1000111.7F128 S129 H130 T134 V135 A136 M142 L144 V291F128-Y132 PolarHBondContact O-N 3.19Å; S129-Y132 PolarHBondContact O-N 3.2Å; H130-Y132 PolarHBondContact O-N 2.89Å; Y132-T134 PolarHBondContact O-N 3.13Å; Y132-V135 WeakPolarHBondContact O-CG2 3.36Å; Y132-V135 PolarHBondContact O-N 3.41Å; Y132-A136 HydrophobicContact CE2-CB 4.28Å; Y132-A136 WeakPolarHBondContact O-CB 3.16Å; Y132-A136 PolarHBondContact O-N 2.91Å; Y132-M142 VanDerWaalsContact CE2-O 3.26Å; Y132-M142 WeakPolarHBondContact CE2-O 3.42Å; Y132-L144 HydrophobicContact CD1-CB 4.03Å; Y132-L144 HydrophobicContact CD1-CD1 4.15Å; Y132-L144 HydrophobicContact CD2-CB 4.15Å; Y132-L144 HydrophobicContact CE1-CB 4.32Å; Y132-L144 HydrophobicContact CE2-CB 4.44Å; Y132-L144 HydrophobicContact CG-CB 3.93Å; Y132-L144 HydrophobicContact CG-CD1 3.95Å; Y132-V291 HydrophobicContact CE1-CG1 4.31Å
133H98.7Very high96.9Very high16 Ų1625.8 Ų25.87%0.07414%0.144CC..Hα-helixtrans-66-40.3-175.1-77.4-62.4000112.4S129 H130 V135 A136 I137 I288 I289 V291 E292S129-H133 WeakPolarHBondContact O-CB 3.47Å; S129-H133 PolarHBondContact O-CD2 3.28Å; S129-H133 PolarHBondContact O-N 2.75Å; S129-H133 PolarHBondContact OG-CD2 3.06Å; H130-H133 PolarHBondContact O-N 3.49Å; H133-V135 PolarHBondContact O-N 3Å; H133-A136 PolarHBondContact O-N 2.54Å; H133-I137 VanDerWaalsContact O-CG1 3.27Å; H133-I137 WeakPolarHBondContact O-CG1 3.42Å; H133-I137 PolarHBondContact O-N 3.43Å; H133-I288 HydrophobicContact CB-CG2 3.92Å; H133-I288 WeakPolarHBondContact CD2-CG2 3.34Å; H133-I289 WeakPolarHBondContact CB-O 3.28Å; H133-V291 PolarHBondContact ND1-N 2.87Å; H133-E292 IonicContact CE1-OE2 3.57Å; H133-E292 PolarHBondContact CE1-OE2 3.23Å; H133-E292 IonicContact ND1-OE2 2.66Å
134T98.3Very high97.1Very high4 Ų428 Ų283%0.02516%0.155CC..Hα-helixtrans-67.3-35.1-178.6-1690000112.9H130 I131 Y132 M171 R272H130-T134 WeakPolarHBondContact O-CB 3.17Å; H130-T134 WeakPolarHBondContact O-CG2 3.19Å; H130-T134 PolarHBondContact O-N 3.48Å; I131-T134 WeakPolarHBondContact O-CG2 3.34Å; Y132-T134 PolarHBondContact O-N 3.13Å; T134-M171 HydrophobicContact CG2-CE 3.58Å; T134-M171 HydrophobicContact CG2-CG 4.03Å; T134-M171 HydrophobicContact CG2-SD 4.11Å; T134-R272 PolarHBondContact O-NH2 3.39Å; T134-R272 PolarHBondContact OG1-NE 3.4Å; T134-R272 PolarHBondContact OG1-NH2 2.89Å
135V98.4Very high97.4Very high0 Ų028.7 Ų28.70%017%0.171CC..Hα-helixtrans-79.8-35.1174.4-57.50000111.8I131 Y132 H133 I137 E138 G139 N140 E167 I168 M171I131-V135 VanDerWaalsContact O-CG2 3.31Å; I131-V135 WeakPolarHBondContact O-CG2 3.49Å; I131-V135 PolarHBondContact O-N 2.85Å; Y132-V135 WeakPolarHBondContact O-CG2 3.36Å; Y132-V135 PolarHBondContact O-N 3.41Å; H133-V135 PolarHBondContact O-N 3Å; V135-I137 VanDerWaalsContact C-N 3.32Å; V135-I137 PolarHBondContact O-N 3.26Å; V135-E138 PolarHBondContact O-N 3.13Å; V135-G139 PolarHBondContact O-N 3.19Å; V135-N140 HydrophobicContact CB-CB 3.74Å; V135-N140 HydrophobicContact CG2-CB 3.71Å; V135-N140 VanDerWaalsContact O-CB 3.28Å; V135-N140 WeakPolarHBondContact O-CB 3.31Å; V135-N140 PolarHBondContact O-N 3.09Å; V135-E167 HydrophobicContact CG1-CB 4.34Å; V135-I168 HydrophobicContact CG1-CG1 4.39Å; V135-I168 HydrophobicContact CG2-CG1 3.94Å; V135-M171 HydrophobicContact CG1-CB 4.42Å; V135-M171 HydrophobicContact CG1-CG 3.62Å
136A98.5Very high97.6Very high9 Ų927.8 Ų27.87%0.07417%0.166CC..Hα-helixtrans-67.1-31.8-179.900000112.5Y132 H133 E138 G139 V291Y132-A136 HydrophobicContact CE2-CB 4.28Å; Y132-A136 WeakPolarHBondContact O-CB 3.16Å; Y132-A136 PolarHBondContact O-N 2.91Å; H133-A136 PolarHBondContact O-N 2.54Å; A136-E138 PolarHBondContact O-N 3.21Å; A136-G139 PolarHBondContact O-N 2.85Å; A136-V291 HydrophobicContact CB-CB 3.99Å; A136-V291 HydrophobicContact CB-CG1 4.43Å; A136-V291 HydrophobicContact CB-CG2 3.68Å
137I97.8Very high97.8Very high0 Ų027.2 Ų27.20%016%0.161CC..Hα-helixtrans-58.8-33.5170.9-74.3166.3000112H133 V135 G139 I289 V291 R294 Y297 Y298H133-I137 VanDerWaalsContact O-CG1 3.27Å; H133-I137 WeakPolarHBondContact O-CG1 3.42Å; H133-I137 PolarHBondContact O-N 3.43Å; V135-I137 VanDerWaalsContact C-N 3.32Å; V135-I137 PolarHBondContact O-N 3.26Å; I137-G139 VanDerWaalsContact C-N 3.3Å; I137-I289 HydrophobicContact CD1-CB 4.05Å; I137-I289 HydrophobicContact CD1-CG2 3.69Å; I137-I289 WeakPolarHBondContact CD1-O 3.46Å; I137-V291 HydrophobicContact CG1-CB 4.38Å; I137-V291 HydrophobicContact CG1-CG2 4.44Å; I137-R294 PolarHBondContact O-NE 2.9Å; I137-R294 VanDerWaalsContact O-NE 3.13Å; I137-R294 PolarHBondContact O-NH2 3.46Å; I137-Y297 HydrophobicContact CG2-CD1 4.29Å; I137-Y297 HydrophobicContact CG2-CE1 4.24Å; I137-Y298 HydrophobicContact CG2-CE2 4.46Å
138E96Very high97.8Very high58 Ų5830 Ų3027%0.27117%0.172SC..THydrogen-bonded Turntrans-85.2-2.8177.8-53.5-55.8156.700112.9V135 A136 R269 R272V135-E138 PolarHBondContact O-N 3.13Å; A136-E138 PolarHBondContact O-N 3.21Å; E138-R269 HydrophobicContact CG-CG 3.93Å; E138-R272 IonicContact OE1-CZ 3.66Å; E138-R272 IonicContact OE1-NH1 3.82Å; E138-R272 PolarHBondContact OE1-NH1 3.04Å; E138-R272 IonicContact OE1-NH2 3.14Å; E138-R272 PolarHBondContact OE1-NH2 3.2Å
139G97.2Very high97.9Very high41 Ų4132 Ų3242%0.42319%0.187SC..THydrogen-bonded Turntrans104.36.2175.800000115.6V135 A136 I137 T141V135-G139 PolarHBondContact O-N 3.19Å; A136-G139 PolarHBondContact O-N 2.85Å; I137-G139 VanDerWaalsContact C-N 3.3Å; G139-T141 PolarHBondContact O-N 3.31Å
140N98.1Very high97.9Very high10 Ų1031.1 Ų31.15%0.05318%0.18CC..  trans-61.6133.5170.8-168.2-54.5000110.4V135 M142 E164 E167V135-N140 HydrophobicContact CB-CB 3.74Å; V135-N140 HydrophobicContact CG2-CB 3.71Å; V135-N140 VanDerWaalsContact O-CB 3.28Å; V135-N140 WeakPolarHBondContact O-CB 3.31Å; V135-N140 PolarHBondContact O-N 3.09Å; N140-M142 WeakPolarHBondContact OD1-CB 3.34Å; N140-M142 PolarHBondContact OD1-N 3.38Å; N140-M142 VanDerWaalsContact OD1-N 3.07Å; N140-E164 VanDerWaalsContact ND2-CA 3.3Å; N140-E164 WeakPolarHBondContact ND2-CA 3.21Å; N140-E164 WeakPolarHBondContact ND2-CB 3.37Å; N140-E164 PolarHBondContact ND2-O 2.76Å; N140-E167 PolarHBondContact ND2-OE2 3.42Å
141T98.2Very high97.9Very high86 Ų8630.9 Ų30.953%0.52818%0.179SC..  trans-99.81.3-17073.90000113.7G139 K160 E164G139-T141 PolarHBondContact O-N 3.31Å; T141-K160 VanDerWaalsContact C-NZ 3.34Å; T141-K160 PolarHBondContact O-NZ 2.9Å; T141-K160 PolarHBondContact OG1-NZ 3.41Å; T141-E164 WeakPolarHBondContact CA-OE1 3.31Å; T141-E164 VanDerWaalsContact CB-OE1 3.24Å; T141-E164 WeakPolarHBondContact CB-OE1 3.49Å; T141-E164 WeakPolarHBondContact CG2-OE1 3.46Å; T141-E164 PolarHBondContact N-OE1 3.14Å; T141-E164 PolarHBondContact OG1-OE1 3.44Å
142M97.9Very high97.7Very high3 Ų334.6 Ų34.62%0.01520%0.196CC..  trans-67.9138.5177.4-68.9-154.1-168.800111.6Y132 N140 Q146 L150 I157 K160 E164 H165 I168Y132-M142 VanDerWaalsContact CE2-O 3.26Å; Y132-M142 WeakPolarHBondContact CE2-O 3.42Å; N140-M142 WeakPolarHBondContact OD1-CB 3.34Å; N140-M142 PolarHBondContact OD1-N 3.38Å; N140-M142 VanDerWaalsContact OD1-N 3.07Å; M142-Q146 HydrophobicContact CB-CB 4.24Å; M142-Q146 HydrophobicContact SD-CB 4.42Å; M142-L150 HydrophobicContact CE-CD2 4.32Å; M142-L150 HydrophobicContact SD-CD2 4.28Å; M142-I157 HydrophobicContact SD-CG1 4.41Å; M142-K160 HydrophobicContact CE-CB 3.73Å; M142-K160 HydrophobicContact CE-CG 4.19Å; M142-K160 HydrophobicContact CG-CD 4.21Å; M142-K160 HydrophobicContact CG-CG 4.13Å; M142-E164 HydrophobicContact CE-CB 4Å; M142-E164 HydrophobicContact CG-CB 4.47Å; M142-H165 HydrophobicContact CE-CB 4.19Å; M142-H165 WeakPolarHBondContact CE-CE1 3.41Å; M142-H165 VanDerWaalsContact CE-CG 3.42Å; M142-H165 VanDerWaalsContact CE-ND1 3.25Å; M142-H165 WeakPolarHBondContact CE-ND1 3.41Å; M142-I168 HydrophobicContact CB-CD1 3.93Å; M142-I168 HydrophobicContact CE-CD1 4.25Å; M142-I168 HydrophobicContact CG-CD1 3.94Å; M142-I168 HydrophobicContact SD-CD1 3.33Å; M142-I168 WeakPolarHBondContact SD-CD1 3.31Å
143S98.1Very high97.6Very high49 Ų4935.8 Ų35.834%0.34321%0.208SC..  trans-72.6165.3172.674.90000111.7V145 Q146 T147S143-V145 VanDerWaalsContact C-N 3.25Å; S143-V145 PolarHBondContact O-N 3.49Å; S143-Q146 PolarHBondContact O-N 2.84Å; S143-Q146 WeakPolarHBondContact OG-CG 3.33Å; S143-Q146 PolarHBondContact OG-N 3.12Å; S143-T147 WeakPolarHBondContact O-CB 3.44Å; S143-T147 PolarHBondContact O-N 3.32Å; S143-T147 PolarHBondContact O-OG1 2.88Å
144L98.1Very high97.4Very high54 Ų5440.4 Ų40.428%0.28323%0.225SC..Hα-helixtrans-56.7-39.8173.5177.960.1000112.1F128 Y132 T147 R148F128-L144 HydrophobicContact CB-CD1 4.43Å; Y132-L144 HydrophobicContact CD1-CB 4.03Å; Y132-L144 HydrophobicContact CD1-CD1 4.15Å; Y132-L144 HydrophobicContact CD2-CB 4.15Å; Y132-L144 HydrophobicContact CE1-CB 4.32Å; Y132-L144 HydrophobicContact CE2-CB 4.44Å; Y132-L144 HydrophobicContact CG-CB 3.93Å; Y132-L144 HydrophobicContact CG-CD1 3.95Å; L144-T147 PolarHBondContact O-N 2.84Å; L144-R148 WeakPolarHBondContact O-CB 3.4Å; L144-R148 PolarHBondContact O-N 3.39Å
145V97.7Very high97.3Very high113 Ų11345.8 Ų45.869%0.68525%0.253SS*.Hα-helixtrans-66.1-42.3178.3179.20000111.1S143 R148 S149S143-V145 VanDerWaalsContact C-N 3.25Å; S143-V145 PolarHBondContact O-N 3.49Å; V145-R148 PolarHBondContact O-N 3.22Å; V145-S149 VanDerWaalsContact O-CB 3.3Å; V145-S149 WeakPolarHBondContact O-CB 3.44Å; V145-S149 PolarHBondContact O-N 3.42Å
146Q98.1Very high97.2Very high54 Ų5449.5 Ų49.525%0.25228%0.284SS..Hα-helixtrans-65.3-44176-71.9173.6-31.900111.4M142 S143 R148 S149 L150 I157 K160M142-Q146 HydrophobicContact CB-CB 4.24Å; M142-Q146 HydrophobicContact SD-CB 4.42Å; S143-Q146 PolarHBondContact O-N 2.84Å; S143-Q146 WeakPolarHBondContact OG-CG 3.33Å; S143-Q146 PolarHBondContact OG-N 3.12Å; Q146-R148 PolarHBondContact O-N 3.39Å; Q146-S149 PolarHBondContact O-N 3.29Å; Q146-L150 WeakPolarHBondContact O-CB 3.47Å; Q146-L150 PolarHBondContact O-N 3.34Å; Q146-I157 HydrophobicContact CB-CG1 4.31Å; Q146-I157 HydrophobicContact CB-CG2 4.32Å; Q146-I157 HydrophobicContact CG-CG2 3.89Å; Q146-K160 VanDerWaalsContact OE1-CE 3.26Å
147T98.1Very high97.1Very high0 Ų050.4 Ų50.40%029%0.287CS..Hα-helixtrans-58.2-48.6175.9-57.20000110.7I131 S143 L144 L150 L151 I168I131-T147 HydrophobicContact CB-CG2 4.48Å; I131-T147 HydrophobicContact CG2-CG2 3.98Å; S143-T147 WeakPolarHBondContact O-CB 3.44Å; S143-T147 PolarHBondContact O-N 3.32Å; S143-T147 PolarHBondContact O-OG1 2.88Å; L144-T147 PolarHBondContact O-N 2.84Å; T147-L150 PolarHBondContact O-N 3.2Å; T147-L151 HydrophobicContact CG2-CD1 4.16Å; T147-L151 WeakPolarHBondContact O-CB 3.47Å; T147-L151 VanDerWaalsContact O-CG 3.28Å; T147-L151 WeakPolarHBondContact O-CG 3.24Å; T147-L151 PolarHBondContact O-N 3.41Å; T147-I168 HydrophobicContact CG2-CD1 4.15Å; T147-I168 HydrophobicContact CG2-CG1 4.25Å; T147-I168 HydrophobicContact CG2-CG2 3.87Å
148R97.5Very high97Very high58 Ų5853.9 Ų53.922%0.21932%0.323CS..Hα-helixtrans-60.2-50175.7-177.5177.4-54.7-164.31.1111.8E125 F128 L144 V145 Q146 L150 L151 E152E125-R148 VanDerWaalsContact CD-NH1 3.33Å; E125-R148 IonicContact OE1-CZ 3.63Å; E125-R148 IonicContact OE1-NH1 2.73Å; E125-R148 PolarHBondContact OE1-NH1 3.48Å; E125-R148 IonicContact OE1-NH2 2.94Å; E125-R148 IonicContact OE2-CZ 2.66Å; E125-R148 IonicContact OE2-NH1 3.32Å; E125-R148 PolarHBondContact OE2-NH1 2.94Å; E125-R148 IonicContact OE2-NH2 2.98Å; E125-R148 PolarHBondContact OE2-NH2 3.2Å; F128-R148 HydrophobicContact CD1-CB 4.35Å; F128-R148 HydrophobicContact CD1-CG 4.16Å; F128-R148 HydrophobicContact CD2-CG 4.25Å; F128-R148 HydrophobicContact CE1-CG 4.23Å; F128-R148 HydrophobicContact CE2-CG 4.31Å; F128-R148 HydrophobicContact CG-CB 4.41Å; F128-R148 HydrophobicContact CG-CG 4.17Å; F128-R148 HydrophobicContact CZ-CG 4.3Å; L144-R148 WeakPolarHBondContact O-CB 3.4Å; L144-R148 PolarHBondContact O-N 3.39Å; V145-R148 PolarHBondContact O-N 3.22Å; Q146-R148 PolarHBondContact O-N 3.39Å; R148-L150 VanDerWaalsContact C-N 3.34Å; R148-L150 PolarHBondContact O-N 2.75Å; R148-L151 PolarHBondContact O-N 2.96Å; R148-L151 VanDerWaalsContact O-N 3.13Å; R148-E152 HydrophobicContact CG-CG 4.19Å; R148-E152 WeakPolarHBondContact O-CB 3.15Å; R148-E152 WeakPolarHBondContact O-CG 3.41Å; R148-E152 PolarHBondContact O-N 3.15Å
149S97.2Very high97Very high44 Ų4455.4 Ų55.431%0.30835%0.354SS..Hα-helixtrans-58.3-45.2-179.4-177.60000111.8V145 Q146 L151 E152 T153V145-S149 VanDerWaalsContact O-CB 3.3Å; V145-S149 WeakPolarHBondContact O-CB 3.44Å; V145-S149 PolarHBondContact O-N 3.42Å; Q146-S149 PolarHBondContact O-N 3.29Å; S149-L151 PolarHBondContact O-N 2.94Å; S149-E152 PolarHBondContact O-N 3.47Å; S149-T153 WeakPolarHBondContact O-CB 3.46Å; S149-T153 WeakPolarHBondContact O-CG2 3.33Å; S149-T153 PolarHBondContact O-N 3Å; S149-T153 PolarHBondContact O-OG1 2.96Å
150L97.7Very high97Very high4 Ų456 Ų562%0.02135%0.345CS..Hα-helixtrans-58.8-47.4174.5172.557.6000111.3M142 Q146 T147 R148 R154 L155 I157 H165 I168 L169M142-L150 HydrophobicContact CE-CD2 4.32Å; M142-L150 HydrophobicContact SD-CD2 4.28Å; Q146-L150 WeakPolarHBondContact O-CB 3.47Å; Q146-L150 PolarHBondContact O-N 3.34Å; T147-L150 PolarHBondContact O-N 3.2Å; R148-L150 VanDerWaalsContact C-N 3.34Å; R148-L150 PolarHBondContact O-N 2.75Å; L150-R154 WeakPolarHBondContact O-CA 3.4Å; L150-R154 PolarHBondContact O-N 2.97Å; L150-L155 WeakPolarHBondContact CD1-O 3.28Å; L150-I157 HydrophobicContact CB-CG1 4.4Å; L150-H165 HydrophobicContact CD2-CB 4.05Å; L150-I168 HydrophobicContact CD2-CB 3.94Å; L150-I168 HydrophobicContact CD2-CD1 4.12Å; L150-I168 HydrophobicContact CD2-CG2 3.77Å; L150-I168 HydrophobicContact CG-CG2 4.39Å; L150-L169 HydrophobicContact CD1-CD2 4.46Å; L150-L169 HydrophobicContact CG-CD2 4.44Å
151L97Very high97Very high0 Ų058 Ų580%036%0.36CS..Hα-helixtrans-67.7-41.3-177.8-69.7178.4000112.3F128 I131 T147 R148 S149 R154 I168 L169 D172 R353F128-L151 HydrophobicContact CD1-CB 4.23Å; F128-L151 HydrophobicContact CD1-CD1 3.86Å; F128-L151 HydrophobicContact CE1-CB 3.91Å; F128-L151 HydrophobicContact CE1-CD1 4.29Å; I131-L151 HydrophobicContact CB-CD1 4.35Å; I131-L151 HydrophobicContact CD1-CD1 3.55Å; I131-L151 HydrophobicContact CG2-CD1 4.16Å; T147-L151 HydrophobicContact CG2-CD1 4.16Å; T147-L151 WeakPolarHBondContact O-CB 3.47Å; T147-L151 VanDerWaalsContact O-CG 3.28Å; T147-L151 WeakPolarHBondContact O-CG 3.24Å; T147-L151 PolarHBondContact O-N 3.41Å; R148-L151 PolarHBondContact O-N 2.96Å; R148-L151 VanDerWaalsContact O-N 3.13Å; S149-L151 PolarHBondContact O-N 2.94Å; L151-R154 PolarHBondContact O-NE 3.44Å; L151-I168 HydrophobicContact CD1-CG2 4.12Å; L151-I168 HydrophobicContact CD2-CG2 3.65Å; L151-I168 HydrophobicContact CG-CG2 3.76Å; L151-L169 HydrophobicContact CD2-CD2 4.37Å; L151-D172 HydrophobicContact CD2-CB 3.47Å; L151-D172 VanDerWaalsContact CD2-CB 3.47Å; L151-R353 PolarHBondContact O-NH2 3.07Å
152E95.2Very high96.9Very high79 Ų7960.2 Ų60.237%0.36937%0.367SS..Hα-helixtrans-74.1-47.8-178.7-69.7-173.2139.100112.6R124 F128 R148 S149R124-E152 IonicContact CZ-OE1 2.79Å; R124-E152 IonicContact NH2-OE1 3.42Å; R124-E152 PolarHBondContact NH2-OE1 2.93Å; F128-E152 HydrophobicContact CE1-CG 4Å; F128-E152 HydrophobicContact CZ-CG 3.73Å; R148-E152 HydrophobicContact CG-CG 4.19Å; R148-E152 WeakPolarHBondContact O-CB 3.15Å; R148-E152 WeakPolarHBondContact O-CG 3.41Å; R148-E152 PolarHBondContact O-N 3.15Å; S149-E152 PolarHBondContact O-N 3.47Å
153T95.8Very high96.9Very high69 Ų6964.9 Ų64.942%0.42339%0.391SS..Hα-helixtrans-90.9-21.1-172.869.10000113.8S149 L155S149-T153 WeakPolarHBondContact O-CB 3.46Å; S149-T153 WeakPolarHBondContact O-CG2 3.33Å; S149-T153 PolarHBondContact O-N 3Å; S149-T153 PolarHBondContact O-OG1 2.96Å; T153-L155 PolarHBondContact O-N 2.68Å; T153-L155 WeakPolarHBondContact OG1-CB 3.32Å; T153-L155 PolarHBondContact OG1-N 3.3Å; T153-L155 VanDerWaalsContact OG1-N 3.13Å
154R95Very high96.9Very high113 Ų11363.6 Ų63.643%0.42638%0.38SS..  trans5817.2-168.2-53.1-59.5-169.2177.9-0.2114.1L150 L151 D172L150-R154 WeakPolarHBondContact O-CA 3.4Å; L150-R154 PolarHBondContact O-N 2.97Å; L151-R154 PolarHBondContact O-NE 3.44Å; R154-D172 IonicContact CZ-OD2 3.53Å; R154-D172 IonicContact NH1-OD2 3.4Å; R154-D172 PolarHBondContact NH1-OD2 3.27Å; R154-D172 IonicContact NH2-OD2 2.7Å; R154-D172 PolarHBondContact NH2-OD2 3.1Å
155L95.9Very high96.9Very high118 Ų11861.5 Ų61.562%0.61837%0.368SS*.PPolyproline II helixtrans-91.2144.7175.6-60176.4000110.7L150 T153L150-L155 WeakPolarHBondContact CD1-O 3.28Å; T153-L155 PolarHBondContact O-N 2.68Å; T153-L155 WeakPolarHBondContact OG1-CB 3.32Å; T153-L155 PolarHBondContact OG1-N 3.3Å; T153-L155 VanDerWaalsContact OG1-N 3.13Å
156A96.1Very high96.9Very high78 Ų7858.4 Ų58.465%0.64535%0.348SS*.PPolyproline II helixtrans-70.1144.5176.900000111.7
157I96.6Very high96.9Very high28 Ų2856.8 Ų56.814%0.14434%0.34CS..PPolyproline II helixtrans-92.2118.2176-52.4-57.1000108.9M142 Q146 L150 K160 H165M142-I157 HydrophobicContact SD-CG1 4.41Å; Q146-I157 HydrophobicContact CB-CG1 4.31Å; Q146-I157 HydrophobicContact CB-CG2 4.32Å; Q146-I157 HydrophobicContact CG-CG2 3.89Å; L150-I157 HydrophobicContact CB-CG1 4.4Å; I157-K160 HydrophobicContact CB-CG 4.4Å; I157-K160 HydrophobicContact CG2-CG 4.04Å; I157-K160 PolarHBondContact O-N 3.24Å; I157-H165 PolarHBondContact N-NE2 3.34Å; I157-H165 PolarHBondContact O-CE1 2.92Å
158G95.9Very high97Very high73 Ų7356.8 Ų56.875%0.75334%0.34SS*.THydrogen-bonded Turntrans-56.9137.8179.300000112.8K160G158-K160 VanDerWaalsContact C-N 3.31Å; G158-K160 PolarHBondContact O-N 3.39Å
159G96.2Very high97Very high89 Ų8955.5 Ų55.592%0.91834%0.338SS*.THydrogen-bonded Turntrans79.23.8176.600000115.8
160K97.4Very high97.1Very high55 Ų5553.4 Ų53.424%0.23932%0.323CS..SBendtrans-105.5152.1174.6-65-63.9-169.2177.50111.3T141 M142 Q146 I157 G158T141-K160 VanDerWaalsContact C-NZ 3.34Å; T141-K160 PolarHBondContact O-NZ 2.9Å; T141-K160 PolarHBondContact OG1-NZ 3.41Å; M142-K160 HydrophobicContact CE-CB 3.73Å; M142-K160 HydrophobicContact CE-CG 4.19Å; M142-K160 HydrophobicContact CG-CD 4.21Å; M142-K160 HydrophobicContact CG-CG 4.13Å; Q146-K160 VanDerWaalsContact OE1-CE 3.26Å; I157-K160 HydrophobicContact CB-CG 4.4Å; I157-K160 HydrophobicContact CG2-CG 4.04Å; I157-K160 PolarHBondContact O-N 3.24Å; G158-K160 VanDerWaalsContact C-N 3.31Å; G158-K160 PolarHBondContact O-N 3.39Å
161S97.3Very high97.1Very high52 Ų5253.2 Ų53.236%0.36432%0.322SS..  trans-72148.7-178.371.20000111.5I163 E164 H165S161-I163 PolarHBondContact O-N 2.83Å; S161-E164 WeakPolarHBondContact CB-OE2 3.49Å; S161-E164 PolarHBondContact N-OE2 3.02Å; S161-E164 PolarHBondContact O-N 2.7Å; S161-E164 WeakPolarHBondContact OG-CB 3.49Å; S161-E164 VanDerWaalsContact OG-CD 3.32Å; S161-E164 WeakPolarHBondContact OG-CG 3.44Å; S161-E164 PolarHBondContact OG-N 2.76Å; S161-E164 VanDerWaalsContact OG-N 3.16Å; S161-E164 PolarHBondContact OG-OE2 3.38Å; S161-H165 PolarHBondContact O-N 3.47Å; S161-H165 PolarHBondContact O-ND1 3.32Å
162L96.9Very high97.1Very high131 Ų13153.4 Ų53.469%0.68632%0.323SS*.Hα-helixtrans-62.4-31.7174.5-70.2176.1000112H165 N166L162-H165 WeakPolarHBondContact O-CB 3.27Å; L162-H165 PolarHBondContact O-N 3.22Å; L162-N166 WeakPolarHBondContact O-CB 3.37Å; L162-N166 VanDerWaalsContact O-CG 3.22Å; L162-N166 PolarHBondContact O-N 3.03Å
163I97.2Very high97.2Very high101 Ų10151 Ų5152%0.51832%0.316SS..Hα-helixtrans-59.1-50.3175-64.8173.3000109.5S161 H165 N166 E167 V205S161-I163 PolarHBondContact O-N 2.83Å; I163-H165 VanDerWaalsContact C-N 3.28Å; I163-H165 PolarHBondContact O-N 3.45Å; I163-N166 WeakPolarHBondContact O-CB 3.35Å; I163-N166 PolarHBondContact O-N 2.99Å; I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CG 3.46Å; I163-E167 PolarHBondContact O-N 3.05Å; I163-V205 HydrophobicContact CG2-CG1 4.19Å
164E98.2Very high97.4Very high23 Ų2347.7 Ų47.711%0.10730%0.296CS..Hα-helixtrans-60.3-35.6179.2-72.8167.8116.300113.2N140 T141 M142 S161 I168N140-E164 VanDerWaalsContact ND2-CA 3.3Å; N140-E164 WeakPolarHBondContact ND2-CA 3.21Å; N140-E164 WeakPolarHBondContact ND2-CB 3.37Å; N140-E164 PolarHBondContact ND2-O 2.76Å; T141-E164 WeakPolarHBondContact CA-OE1 3.31Å; T141-E164 VanDerWaalsContact CB-OE1 3.24Å; T141-E164 WeakPolarHBondContact CB-OE1 3.49Å; T141-E164 WeakPolarHBondContact CG2-OE1 3.46Å; T141-E164 PolarHBondContact N-OE1 3.14Å; T141-E164 PolarHBondContact OG1-OE1 3.44Å; M142-E164 HydrophobicContact CE-CB 4Å; M142-E164 HydrophobicContact CG-CB 4.47Å; S161-E164 WeakPolarHBondContact CB-OE2 3.49Å; S161-E164 PolarHBondContact N-OE2 3.02Å; S161-E164 PolarHBondContact O-N 2.7Å; S161-E164 WeakPolarHBondContact OG-CB 3.49Å; S161-E164 VanDerWaalsContact OG-CD 3.32Å; S161-E164 WeakPolarHBondContact OG-CG 3.44Å; S161-E164 PolarHBondContact OG-N 2.76Å; S161-E164 VanDerWaalsContact OG-N 3.16Å; S161-E164 PolarHBondContact OG-OE2 3.38Å; E164-I168 PolarHBondContact O-N 3.13Å
165H98.5Very high97.4Very high9 Ų942.3 Ų42.34%0.04228%0.276CS..Hα-helixtrans-63.6-48.2172.8-69.279.2000111M142 L150 I157 S161 L162 I163 E167 I168 L169M142-H165 HydrophobicContact CE-CB 4.19Å; M142-H165 WeakPolarHBondContact CE-CE1 3.41Å; M142-H165 VanDerWaalsContact CE-CG 3.42Å; M142-H165 VanDerWaalsContact CE-ND1 3.25Å; M142-H165 WeakPolarHBondContact CE-ND1 3.41Å; L150-H165 HydrophobicContact CD2-CB 4.05Å; I157-H165 PolarHBondContact N-NE2 3.34Å; I157-H165 PolarHBondContact O-CE1 2.92Å; S161-H165 PolarHBondContact O-N 3.47Å; S161-H165 PolarHBondContact O-ND1 3.32Å; L162-H165 WeakPolarHBondContact O-CB 3.27Å; L162-H165 PolarHBondContact O-N 3.22Å; I163-H165 VanDerWaalsContact C-N 3.28Å; I163-H165 PolarHBondContact O-N 3.45Å; H165-E167 VanDerWaalsContact C-N 3.3Å; H165-E167 PolarHBondContact O-N 3.31Å; H165-I168 PolarHBondContact O-N 3.17Å; H165-L169 WeakPolarHBondContact O-CG 3.45Å; H165-L169 PolarHBondContact O-N 3.4Å
166N98.2Very high97.4Very high48 Ų4838.8 Ų38.826%0.25726%0.256SS..Hα-helixtrans-65.1-34.4-176.7-74.3-3.8000112L162 I163 L169 G170 F204 V205L162-N166 WeakPolarHBondContact O-CB 3.37Å; L162-N166 VanDerWaalsContact O-CG 3.22Å; L162-N166 PolarHBondContact O-N 3.03Å; I163-N166 WeakPolarHBondContact O-CB 3.35Å; I163-N166 PolarHBondContact O-N 2.99Å; N166-L169 PolarHBondContact O-N 2.96Å; N166-G170 PolarHBondContact O-N 3.46Å; N166-F204 HydrophobicContact CB-CB 3.62Å; N166-F204 WeakPolarHBondContact CB-O 3.47Å; N166-F204 PolarHBondContact ND2-O 3.48Å; N166-F204 WeakPolarHBondContact O-CB 3.48Å; N166-V205 HydrophobicContact CB-CG2 3.95Å
167E98.3Very high97.4Very high20 Ų2036.8 Ų36.89%0.09323%0.232CC..Hα-helixtrans-62-44.2172-67.1-174.914200112.5V135 N140 I163 H165 G170 M171 V205 R269V135-E167 HydrophobicContact CG1-CB 4.34Å; N140-E167 PolarHBondContact ND2-OE2 3.42Å; I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CG 3.46Å; I163-E167 PolarHBondContact O-N 3.05Å; H165-E167 VanDerWaalsContact C-N 3.3Å; H165-E167 PolarHBondContact O-N 3.31Å; E167-G170 PolarHBondContact O-N 2.78Å; E167-M171 WeakPolarHBondContact O-CG 3.32Å; E167-M171 PolarHBondContact O-N 2.76Å; E167-V205 HydrophobicContact CG-CG2 3.72Å; E167-R269 IonicContact OE1-CZ 3.97Å; E167-R269 IonicContact OE1-NH1 3.97Å; E167-R269 PolarHBondContact OE1-NH1 3.47Å; E167-R269 IonicContact OE1-NH2 2.83Å; E167-R269 IonicContact OE2-NH1 2.95Å
168I98.5Very high97.4Very high0 Ų035.5 Ų35.50%023%0.225CC..Hα-helixtrans-65.7-43.6177.8-72164.3000110.7I131 V135 M142 T147 L150 L151 E164 H165 G170 M171 D172I131-I168 HydrophobicContact CG2-CB 4.46Å; I131-I168 HydrophobicContact CG2-CG2 3.99Å; V135-I168 HydrophobicContact CG1-CG1 4.39Å; V135-I168 HydrophobicContact CG2-CG1 3.94Å; M142-I168 HydrophobicContact CB-CD1 3.93Å; M142-I168 HydrophobicContact CE-CD1 4.25Å; M142-I168 HydrophobicContact CG-CD1 3.94Å; M142-I168 HydrophobicContact SD-CD1 3.33Å; M142-I168 WeakPolarHBondContact SD-CD1 3.31Å; T147-I168 HydrophobicContact CG2-CD1 4.15Å; T147-I168 HydrophobicContact CG2-CG1 4.25Å; T147-I168 HydrophobicContact CG2-CG2 3.87Å; L150-I168 HydrophobicContact CD2-CB 3.94Å; L150-I168 HydrophobicContact CD2-CD1 4.12Å; L150-I168 HydrophobicContact CD2-CG2 3.77Å; L150-I168 HydrophobicContact CG-CG2 4.39Å; L151-I168 HydrophobicContact CD1-CG2 4.12Å; L151-I168 HydrophobicContact CD2-CG2 3.65Å; L151-I168 HydrophobicContact CG-CG2 3.76Å; E164-I168 PolarHBondContact O-N 3.13Å; H165-I168 PolarHBondContact O-N 3.17Å; I168-G170 VanDerWaalsContact C-N 3.34Å; I168-M171 PolarHBondContact O-N 2.79Å; I168-D172 PolarHBondContact O-N 3.11Å
169L98.3Very high97.2Very high31 Ų3132.1 Ų32.116%0.16219%0.19CC..Hα-helixtrans-64.5-38.8176.7-66.5175.1000111.9L150 L151 H165 N166 D172 A173 F204L150-L169 HydrophobicContact CD1-CD2 4.46Å; L150-L169 HydrophobicContact CG-CD2 4.44Å; L151-L169 HydrophobicContact CD2-CD2 4.37Å; H165-L169 WeakPolarHBondContact O-CG 3.45Å; H165-L169 PolarHBondContact O-N 3.4Å; N166-L169 PolarHBondContact O-N 2.96Å; L169-D172 PolarHBondContact O-N 3.32Å; L169-A173 WeakPolarHBondContact O-CB 3.35Å; L169-A173 PolarHBondContact O-N 3.14Å; L169-F204 HydrophobicContact CB-CD2 4.3Å; L169-F204 HydrophobicContact CB-CE2 4.39Å; L169-F204 HydrophobicContact CB-CG 4.37Å
170G98.3Very high97.1Very high0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-64.8-42.5175.100000112.7N166 E167 I168 A173 A174 R200N166-G170 PolarHBondContact O-N 3.46Å; E167-G170 PolarHBondContact O-N 2.78Å; I168-G170 VanDerWaalsContact C-N 3.34Å; G170-A173 PolarHBondContact O-N 3.4Å; G170-A174 VanDerWaalsContact O-CB 3.31Å; G170-A174 WeakPolarHBondContact O-CB 3.48Å; G170-A174 PolarHBondContact O-N 3.08Å; G170-R200 CarbonylContact C-O 3.55Å; G170-R200 WeakPolarHBondContact CA-O 3.24Å; G170-R200 CarbonylContact O-C 3.59Å
171M98.3Very high96.9Very high0 Ų032.7 Ų32.70%018%0.182CC..Hα-helixtrans-63.8-41.7173.5-74.1-55.6-44.800112.8I131 T134 V135 E167 I168 A174 L175 V201 R269 L273I131-M171 HydrophobicContact CG1-CB 4.27Å; I131-M171 HydrophobicContact CG2-CB 3.88Å; T134-M171 HydrophobicContact CG2-CE 3.58Å; T134-M171 HydrophobicContact CG2-CG 4.03Å; T134-M171 HydrophobicContact CG2-SD 4.11Å; V135-M171 HydrophobicContact CG1-CB 4.42Å; V135-M171 HydrophobicContact CG1-CG 3.62Å; E167-M171 WeakPolarHBondContact O-CG 3.32Å; E167-M171 PolarHBondContact O-N 2.76Å; I168-M171 PolarHBondContact O-N 2.79Å; M171-A174 PolarHBondContact O-N 2.91Å; M171-L175 WeakPolarHBondContact O-CB 3.23Å; M171-L175 PolarHBondContact O-N 2.82Å; M171-V201 HydrophobicContact SD-CG1 4.13Å; M171-V201 HydrophobicContact SD-CG2 4.14Å; M171-R269 HydrophobicContact SD-CB 3.75Å; M171-R269 HydrophobicContact SD-CG 3.91Å; M171-L273 HydrophobicContact CE-CD1 3.7Å; M171-L273 HydrophobicContact CE-CD2 3.89Å; M171-L273 HydrophobicContact CE-CG 3.81Å; M171-L273 HydrophobicContact SD-CD1 4.44Å
172D97.8Very high96.8Very high5 Ų530.3 Ų30.33%0.02717%0.165CC..Hα-helixtrans-60.1-45.2173.5175.758.3000111.8Y127 I131 L151 R154 I168 L169 K176Y127-D172 WeakPolarHBondContact CE1-OD1 3.41Å; Y127-D172 PolarHBondContact OH-O 3Å; Y127-D172 VanDerWaalsContact OH-O 3.13Å; Y127-D172 PolarHBondContact OH-OD1 2.76Å; I131-D172 HydrophobicContact CD1-CB 3.96Å; L151-D172 HydrophobicContact CD2-CB 3.47Å; L151-D172 VanDerWaalsContact CD2-CB 3.47Å; R154-D172 IonicContact CZ-OD2 3.53Å; R154-D172 IonicContact NH1-OD2 3.4Å; R154-D172 PolarHBondContact NH1-OD2 3.27Å; R154-D172 IonicContact NH2-OD2 2.7Å; R154-D172 PolarHBondContact NH2-OD2 3.1Å; I168-D172 PolarHBondContact O-N 3.11Å; L169-D172 PolarHBondContact O-N 3.32Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 WeakPolarHBondContact O-CG 3.32Å; D172-K176 PolarHBondContact O-N 3.45Å; D172-K176 VanDerWaalsContact O-N 3.1Å; D172-K176 VanDerWaalsContact OD1-CE 3.31Å; D172-K176 WeakPolarHBondContact OD1-CE 3.47Å; D172-K176 IonicContact OD1-NZ 3.37Å; D172-K176 PolarHBondContact OD1-NZ 2.97Å; D172-K176 IonicContact OD2-NZ 2.62Å; D172-K176 PolarHBondContact OD2-NZ 3.32Å
173A97.8Very high96.6Very high27 Ų2724.3 Ų24.322%0.22313%0.134CC..Hα-helixtrans-63.3-43.517700000111.8L169 G170 Y177 R200 F204L169-A173 WeakPolarHBondContact O-CB 3.35Å; L169-A173 PolarHBondContact O-N 3.14Å; G170-A173 PolarHBondContact O-N 3.4Å; A173-Y177 PolarHBondContact O-N 3.2Å; A173-Y177 VanDerWaalsContact O-N 3.08Å; A173-R200 HydrophobicContact CB-CB 4.14Å; A173-R200 HydrophobicContact CB-CG 4.18Å; A173-R200 WeakPolarHBondContact O-CD 3.39Å; A173-F204 HydrophobicContact CB-CE2 4.03Å
174A98.1Very high96.3Very high0 Ų023.2 Ų23.20%013%0.129CC..Hα-helixtrans-67.6-44.5-178.900000112.1G170 M171 Y177 V178 R200 V201 L273G170-A174 VanDerWaalsContact O-CB 3.31Å; G170-A174 WeakPolarHBondContact O-CB 3.48Å; G170-A174 PolarHBondContact O-N 3.08Å; M171-A174 PolarHBondContact O-N 2.91Å; A174-Y177 WeakPolarHBondContact O-CB 3.39Å; A174-Y177 PolarHBondContact O-N 3.06Å; A174-V178 WeakPolarHBondContact O-CG2 3.09Å; A174-V178 PolarHBondContact O-N 2.86Å; A174-R200 HydrophobicContact CB-CB 3.71Å; A174-V201 HydrophobicContact CB-CG2 3.59Å; A174-L273 HydrophobicContact CB-CD1 3.57Å
175L96.5Very high96Very high1 Ų126 Ų261%0.00514%0.139CC..Hα-helixtrans-65.8-40.3179.3-173.757.1000111.7Y127 I131 M171 Y177 V178 N179 L273Y127-L175 HydrophobicContact CD2-CD2 3.62Å; Y127-L175 HydrophobicContact CD2-CG 4.2Å; Y127-L175 HydrophobicContact CE2-CB 4.25Å; Y127-L175 HydrophobicContact CE2-CD2 3.48Å; Y127-L175 VanDerWaalsContact CE2-CD2 3.48Å; Y127-L175 HydrophobicContact CE2-CG 3.7Å; Y127-L175 HydrophobicContact CG-CD2 4.28Å; I131-L175 HydrophobicContact CD1-CD2 4.46Å; I131-L175 HydrophobicContact CG1-CD2 4.25Å; M171-L175 WeakPolarHBondContact O-CB 3.23Å; M171-L175 PolarHBondContact O-N 2.82Å; L175-Y177 VanDerWaalsContact C-N 3.34Å; L175-Y177 PolarHBondContact O-N 3.01Å; L175-V178 PolarHBondContact O-N 2.7Å; L175-N179 WeakPolarHBondContact O-CB 3.36Å; L175-N179 VanDerWaalsContact O-CG 3.22Å; L175-N179 PolarHBondContact O-N 2.85Å; L175-N179 PolarHBondContact O-OD1 2.91Å; L175-L273 HydrophobicContact CB-CD2 4.44Å; L175-L273 HydrophobicContact CD1-CD2 3.99Å
176K95.5Very high95.5Very high43 Ų4333.7 Ų33.719%0.18718%0.178CC..Hα-helixtrans-57-46.2170.1-86.3164-178.1162.90112.7Y127 D172 N179 V180 G352Y127-K176 WeakPolarHBondContact OH-CG 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 WeakPolarHBondContact O-CG 3.32Å; D172-K176 PolarHBondContact O-N 3.45Å; D172-K176 VanDerWaalsContact O-N 3.1Å; D172-K176 VanDerWaalsContact OD1-CE 3.31Å; D172-K176 WeakPolarHBondContact OD1-CE 3.47Å; D172-K176 IonicContact OD1-NZ 3.37Å; D172-K176 PolarHBondContact OD1-NZ 2.97Å; D172-K176 IonicContact OD2-NZ 2.62Å; D172-K176 PolarHBondContact OD2-NZ 3.32Å; K176-N179 PolarHBondContact O-N 3.41Å; K176-V180 WeakPolarHBondContact O-CB 3.43Å; K176-V180 WeakPolarHBondContact O-CG2 3.27Å; K176-V180 PolarHBondContact O-N 3.3Å; K176-G352 WeakPolarHBondContact CG-O 3.45Å
177Y96.3Very high94.8Very high37 Ų3733.9 Ų33.915%0.14519%0.192CC..Hα-helixtrans-61.5-45.7178.4172.3-109000112A173 A174 L175 S181 L182 E196 I197 R200A173-Y177 PolarHBondContact O-N 3.2Å; A173-Y177 VanDerWaalsContact O-N 3.08Å; A174-Y177 WeakPolarHBondContact O-CB 3.39Å; A174-Y177 PolarHBondContact O-N 3.06Å; L175-Y177 VanDerWaalsContact C-N 3.34Å; L175-Y177 PolarHBondContact O-N 3.01Å; Y177-S181 WeakPolarHBondContact CD2-OG 3.28Å; Y177-S181 WeakPolarHBondContact O-CA 3.49Å; Y177-S181 WeakPolarHBondContact O-CB 3.43Å; Y177-S181 PolarHBondContact O-N 3.45Å; Y177-S181 PolarHBondContact O-OG 3.28Å; Y177-L182 HydrophobicContact CD1-CD1 4.22Å; Y177-L182 HydrophobicContact CE1-CD1 3.67Å; Y177-L182 HydrophobicContact CE1-CD2 4.43Å; Y177-L182 HydrophobicContact CE1-CG 4.03Å; Y177-E196 HydrophobicContact CE1-CB 4.08Å; Y177-E196 HydrophobicContact CE1-CG 3.92Å; Y177-E196 HydrophobicContact CE2-CG 4.11Å; Y177-I197 HydrophobicContact CD1-CG1 4.09Å; Y177-I197 HydrophobicContact CE1-CG1 4.02Å; Y177-R200 VanDerWaalsContact CB-NE 3.31Å
178V95.7Very high94.3Very high1 Ų137.9 Ų37.91%0.00621%0.213CC..Iπ-helixtrans-56.4-54.1175168.50000110.4A174 L175 V180 L182 V183 I197 L277A174-V178 WeakPolarHBondContact O-CG2 3.09Å; A174-V178 PolarHBondContact O-N 2.86Å; L175-V178 PolarHBondContact O-N 2.7Å; V178-V180 PolarHBondContact O-N 3.35Å; V178-L182 HydrophobicContact CG2-CD1 4.41Å; V178-L182 PolarHBondContact O-N 2.91Å; V178-V183 HydrophobicContact CG1-CG2 3.89Å; V178-V183 WeakPolarHBondContact O-CG2 3.17Å; V178-V183 PolarHBondContact O-N 3.42Å; V178-I197 HydrophobicContact CG2-CD1 4.17Å; V178-I197 HydrophobicContact CG2-CG1 4.07Å; V178-L277 HydrophobicContact CG1-CB 4.26Å; V178-L277 HydrophobicContact CG1-CD1 4.15Å
179N92.6Very high94Very high2 Ų238.6 Ų38.61%0.01122%0.217CC..Iπ-helixtrans-59.6-45.1-177.3-69.1-7.5000113L175 K176 M280L175-N179 WeakPolarHBondContact O-CB 3.36Å; L175-N179 VanDerWaalsContact O-CG 3.22Å; L175-N179 PolarHBondContact O-N 2.85Å; L175-N179 PolarHBondContact O-OD1 2.91Å; K176-N179 PolarHBondContact O-N 3.41Å; N179-M280 WeakPolarHBondContact OD1-CE 3.33Å
180V93.2Very high93.7Very high103 Ų10339.6 Ų39.662%0.62422%0.224SC*.Iπ-helixtrans-84.1-36.9-173175.60000112.2K176 V178K176-V180 WeakPolarHBondContact O-CB 3.43Å; K176-V180 WeakPolarHBondContact O-CG2 3.27Å; K176-V180 PolarHBondContact O-N 3.3Å; V178-V180 PolarHBondContact O-N 3.35Å
181S93.8Very high93.5Very high53 Ų5341.1 Ų41.137%0.37123%0.234SC..Iπ-helixtrans-108.5-24.5-165.8-47.90000114.3Y177Y177-S181 WeakPolarHBondContact CD2-OG 3.28Å; Y177-S181 WeakPolarHBondContact O-CA 3.49Å; Y177-S181 WeakPolarHBondContact O-CB 3.43Å; Y177-S181 PolarHBondContact O-N 3.45Å; Y177-S181 PolarHBondContact O-OG 3.28Å
182L94.6Very high93.3Very high1 Ų147.1 Ų47.11%0.00526%0.262CS..Iπ-helixtrans-118.4-38.6-169.1-60-175.9000114.1Y177 V178 N184 R185 D193 I197 L277 Q281Y177-L182 HydrophobicContact CD1-CD1 4.22Å; Y177-L182 HydrophobicContact CE1-CD1 3.67Å; Y177-L182 HydrophobicContact CE1-CD2 4.43Å; Y177-L182 HydrophobicContact CE1-CG 4.03Å; V178-L182 HydrophobicContact CG2-CD1 4.41Å; V178-L182 PolarHBondContact O-N 2.91Å; L182-N184 VanDerWaalsContact C-N 3.26Å; L182-N184 PolarHBondContact O-N 2.95Å; L182-R185 VanDerWaalsContact CD2-NH1 3.34Å; L182-R185 PolarHBondContact O-N 2.86Å; L182-R185 VanDerWaalsContact O-N 3.15Å; L182-D193 HydrophobicContact CD1-CB 4.47Å; L182-D193 HydrophobicContact CD2-CB 4.46Å; L182-I197 HydrophobicContact CD1-CD1 3.78Å; L182-I197 HydrophobicContact CD1-CG1 3.99Å; L182-L277 HydrophobicContact CB-CD1 3.64Å; L182-L277 HydrophobicContact CB-CD2 4.14Å; L182-L277 HydrophobicContact CD1-CD2 3.97Å; L182-Q281 PolarHBondContact O-NE2 3.26Å; L182-Q281 VanDerWaalsContact O-NE2 3.09Å
183V92.7Very high93.2Very high5 Ų547.3 Ų47.33%0.0326%0.263CS..THydrogen-bonded Turntrans-58.9-37.9-174.6172.30000112.2V178 L277 M280 Q281V178-V183 HydrophobicContact CG1-CG2 3.89Å; V178-V183 WeakPolarHBondContact O-CG2 3.17Å; V178-V183 PolarHBondContact O-N 3.42Å; V183-L277 HydrophobicContact CG2-CD1 4.06Å; V183-M280 HydrophobicContact CG1-CB 3.93Å; V183-M280 HydrophobicContact CG1-CE 4.2Å; V183-M280 HydrophobicContact CG2-CB 4.02Å; V183-M280 HydrophobicContact CG2-CE 3.69Å; V183-M280 HydrophobicContact CG2-SD 4.13Å; V183-Q281 WeakPolarHBondContact O-CG 3.41Å
184N91Very high93.1Very high78 Ų7846 Ų4642%0.41725%0.252SS..THydrogen-bonded Turntrans-102.13.4-178.2-64.5-10.2000113.4L182 I186 N358L182-N184 VanDerWaalsContact C-N 3.26Å; L182-N184 PolarHBondContact O-N 2.95Å; N184-I186 PolarHBondContact O-N 2.9Å; N184-N358 VanDerWaalsContact CG-OD1 3.3Å; N184-N358 PolarHBondContact ND2-OD1 3.01Å; N184-N358 VanDerWaalsContact ND2-OD1 3.14Å; N184-N358 PolarHBondContact OD1-ND2 2.97Å; N184-N358 PolarHBondContact OD1-OD1 3.31Å
185R92.5Very high93Very high82 Ų8247.5 Ų47.531%0.30926%0.26SS..  trans-75.4125.3-176.3-169.2-175.871.5-172.52.4109.8L182 L188 D193L182-R185 VanDerWaalsContact CD2-NH1 3.34Å; L182-R185 PolarHBondContact O-N 2.86Å; L182-R185 VanDerWaalsContact O-N 3.15Å; R185-L188 PolarHBondContact NH2-O 3.29Å; R185-D193 IonicContact CZ-OD1 3.57Å; R185-D193 IonicContact CZ-OD2 2.86Å; R185-D193 IonicContact NH1-OD1 3.59Å; R185-D193 PolarHBondContact NH1-OD1 2.96Å; R185-D193 IonicContact NH1-OD2 2.73Å; R185-D193 PolarHBondContact NH1-OD2 3.19Å; R185-D193 IonicContact NH2-OD1 3.44Å; R185-D193 IonicContact NH2-OD2 3.56Å; R185-D193 PolarHBondContact NH2-OD2 2.74Å
186I86.8Confident93.1Very high170 Ų17050.1 Ų50.187%0.87227%0.272SS*.  trans-75.1128.6169.8-58.3173.6000108.4N184N184-I186 PolarHBondContact O-N 2.9Å
187G85Confident93.2Very high52 Ų5248 Ų4854%0.53626%0.263SS..SBendtrans127.5-178.9175.900000112.8
188L87.8Confident93.3Very high104 Ų10446.4 Ų46.455%0.54526%0.257SS..  trans-78.9154.3-175.3-56.9178.9000111.3R185 N237R185-L188 PolarHBondContact NH2-O 3.29Å; L188-N237 WeakPolarHBondContact CB-OD1 3.26Å; L188-N237 HydrophobicContact CD1-CB 4.07Å; L188-N237 HydrophobicContact CD2-CB 4.41Å; L188-N237 WeakPolarHBondContact CD2-OD1 3.48Å
189L91.5Very high93.4Very high16 Ų1650.4 Ų50.48%0.08427%0.272CS..  trans-75.4131.4166.9-175.571.1000108.6D193 I194 L236 L274 L277L189-D193 HydrophobicContact CD1-CB 3.57Å; L189-D193 HydrophobicContact CG-CB 4.49Å; L189-I194 HydrophobicContact CD2-CD1 4.18Å; L189-I194 HydrophobicContact CD2-CG1 4.19Å; L189-I194 HydrophobicContact CG-CG1 4.42Å; L189-L236 HydrophobicContact CB-CD2 3.88Å; L189-L236 HydrophobicContact CD2-CD2 3.61Å; L189-L236 HydrophobicContact CG-CD2 4.32Å; L189-L274 HydrophobicContact CD2-CD2 4.07Å; L189-L277 HydrophobicContact CD1-CD2 3.74Å
190T92.3Very high93.7Very high51 Ų5153.5 Ų53.531%0.31328%0.283SS..  trans-108.8167-178.466.40000111.4E192 D193 I194T190-E192 WeakPolarHBondContact CB-OE2 3.46Å; T190-E192 PolarHBondContact O-N 3.33Å; T190-D193 WeakPolarHBondContact CB-OD2 3.44Å; T190-D193 PolarHBondContact N-OD2 3.23Å; T190-D193 PolarHBondContact O-N 2.89Å; T190-D193 PolarHBondContact OG1-N 3.49Å; T190-D193 PolarHBondContact OG1-OD2 2.83Å; T190-I194 PolarHBondContact O-N 3.24Å
191V93.3Very high93.9Very high33 Ų3348.6 Ų48.620%0.225%0.253CS..Hα-helixtrans-60.7-40.4172.3175.70000110.3D193 I194 L195 F213 I233V191-D193 VanDerWaalsContact C-N 3.27Å; V191-D193 PolarHBondContact O-N 3.23Å; V191-I194 WeakPolarHBondContact O-CB 3.42Å; V191-I194 PolarHBondContact O-N 3.15Å; V191-I194 VanDerWaalsContact O-N 3.09Å; V191-L195 HydrophobicContact CG1-CD1 4.18Å; V191-L195 HydrophobicContact CG1-CG 4.22Å; V191-L195 WeakPolarHBondContact O-CG 3.47Å; V191-L195 PolarHBondContact O-N 3.23Å; V191-F213 HydrophobicContact CG1-CE2 4.14Å; V191-F213 HydrophobicContact CG1-CZ 3.67Å; V191-I233 HydrophobicContact CG2-CB 4.48Å; V191-I233 HydrophobicContact CG2-CG1 3.67Å
192E93.6Very high94.1Very high125 Ų12547.3 Ų47.358%0.58424%0.241SC*.Hα-helixtrans-58.6-39.3180-68.667.3-151.100111.5T190 I194 L195 E196T190-E192 WeakPolarHBondContact CB-OE2 3.46Å; T190-E192 PolarHBondContact O-N 3.33Å; E192-I194 VanDerWaalsContact C-N 3.34Å; E192-I194 PolarHBondContact O-N 3.46Å; E192-L195 PolarHBondContact O-N 3.1Å; E192-E196 VanDerWaalsContact O-CB 3.26Å; E192-E196 WeakPolarHBondContact O-CB 3.44Å; E192-E196 PolarHBondContact O-N 2.68Å
193D95.6Very high94.3Very high9 Ų948.2 Ų48.25%0.04825%0.25CS..Hα-helixtrans-62.5-42.4175.9-61.3-51.2000112.4L182 R185 L189 T190 V191 E196 I197L182-D193 HydrophobicContact CD1-CB 4.47Å; L182-D193 HydrophobicContact CD2-CB 4.46Å; R185-D193 IonicContact CZ-OD1 3.57Å; R185-D193 IonicContact CZ-OD2 2.86Å; R185-D193 IonicContact NH1-OD1 3.59Å; R185-D193 PolarHBondContact NH1-OD1 2.96Å; R185-D193 IonicContact NH1-OD2 2.73Å; R185-D193 PolarHBondContact NH1-OD2 3.19Å; R185-D193 IonicContact NH2-OD1 3.44Å; R185-D193 IonicContact NH2-OD2 3.56Å; R185-D193 PolarHBondContact NH2-OD2 2.74Å; L189-D193 HydrophobicContact CD1-CB 3.57Å; L189-D193 HydrophobicContact CG-CB 4.49Å; T190-D193 WeakPolarHBondContact CB-OD2 3.44Å; T190-D193 PolarHBondContact N-OD2 3.23Å; T190-D193 PolarHBondContact O-N 2.89Å; T190-D193 PolarHBondContact OG1-N 3.49Å; T190-D193 PolarHBondContact OG1-OD2 2.83Å; V191-D193 VanDerWaalsContact C-N 3.27Å; V191-D193 PolarHBondContact O-N 3.23Å; D193-E196 PolarHBondContact O-N 3.01Å; D193-I197 VanDerWaalsContact O-CG1 3.29Å; D193-I197 WeakPolarHBondContact O-CG1 3.4Å; D193-I197 PolarHBondContact O-N 3.27Å
194I96.3Very high94.5Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-66-42.7178.5-61.4-176.7000110.2L189 T190 V191 E192 E196 I197 H198 M229 I233 F257 F263 T270 L274L189-I194 HydrophobicContact CD2-CD1 4.18Å; L189-I194 HydrophobicContact CD2-CG1 4.19Å; L189-I194 HydrophobicContact CG-CG1 4.42Å; T190-I194 PolarHBondContact O-N 3.24Å; V191-I194 WeakPolarHBondContact O-CB 3.42Å; V191-I194 PolarHBondContact O-N 3.15Å; V191-I194 VanDerWaalsContact O-N 3.09Å; E192-I194 VanDerWaalsContact C-N 3.34Å; E192-I194 PolarHBondContact O-N 3.46Å; I194-E196 VanDerWaalsContact C-N 3.27Å; I194-E196 PolarHBondContact O-N 3.47Å; I194-I197 PolarHBondContact O-N 3.33Å; I194-H198 WeakPolarHBondContact O-CB 3.28Å; I194-H198 PolarHBondContact O-N 3.29Å; I194-M229 HydrophobicContact CB-CE 4.4Å; I194-M229 HydrophobicContact CD1-CE 3.5Å; I194-M229 HydrophobicContact CG2-CE 3.98Å; I194-I233 HydrophobicContact CD1-CD1 3.65Å; I194-F257 HydrophobicContact CG2-CE2 3.63Å; I194-F257 HydrophobicContact CG2-CZ 4.21Å; I194-F263 HydrophobicContact CG2-CE2 4.25Å; I194-F263 HydrophobicContact CG2-CZ 4.2Å; I194-T270 HydrophobicContact CG2-CG2 4.43Å; I194-L274 HydrophobicContact CD1-CD1 4.2Å; I194-L274 HydrophobicContact CD1-CD2 4.48Å; I194-L274 HydrophobicContact CG1-CD1 4.34Å; I194-L274 HydrophobicContact CG1-CD2 3.97Å; I194-L274 HydrophobicContact CG2-CD1 4.35Å
195L96.6Very high94.8Very high32 Ų3251 Ų5117%0.16826%0.262CS..Hα-helixtrans-60.5-38.7174.4-65.7179.6000111.4V191 E192 H198 R199 G211 F213 F263V191-L195 HydrophobicContact CG1-CD1 4.18Å; V191-L195 HydrophobicContact CG1-CG 4.22Å; V191-L195 WeakPolarHBondContact O-CG 3.47Å; V191-L195 PolarHBondContact O-N 3.23Å; E192-L195 PolarHBondContact O-N 3.1Å; L195-H198 PolarHBondContact O-N 2.96Å; L195-R199 VanDerWaalsContact O-CB 3.28Å; L195-R199 WeakPolarHBondContact O-CB 3.44Å; L195-R199 PolarHBondContact O-N 3.21Å; L195-G211 WeakPolarHBondContact O-CA 3.41Å; L195-F213 HydrophobicContact CD2-CD1 4.04Å; L195-F213 HydrophobicContact CD2-CE1 3.59Å; L195-F213 HydrophobicContact CD2-CE2 4.26Å; L195-F213 HydrophobicContact CD2-CZ 3.73Å; L195-F213 HydrophobicContact CG-CZ 4.39Å; L195-F263 HydrophobicContact CD2-CE1 3.68Å; L195-F263 HydrophobicContact CD2-CZ 3.93Å
196E97.6Very high95Very high55 Ų5549.5 Ų49.526%0.25726%0.26SS..Hα-helixtrans-76.8-33.5-177-16457.3-165.700113Y177 E192 D193 I194 R199 R200Y177-E196 HydrophobicContact CE1-CB 4.08Å; Y177-E196 HydrophobicContact CE1-CG 3.92Å; Y177-E196 HydrophobicContact CE2-CG 4.11Å; E192-E196 VanDerWaalsContact O-CB 3.26Å; E192-E196 WeakPolarHBondContact O-CB 3.44Å; E192-E196 PolarHBondContact O-N 2.68Å; D193-E196 PolarHBondContact O-N 3.01Å; I194-E196 VanDerWaalsContact C-N 3.27Å; I194-E196 PolarHBondContact O-N 3.47Å; E196-R199 WeakPolarHBondContact OE2-CD 3.24Å; E196-R199 IonicContact OE2-NE 3Å; E196-R199 PolarHBondContact OE2-NE 2.87Å; E196-R200 PolarHBondContact O-N 2.99Å; E196-R200 PolarHBondContact O-NH1 3.39Å; E196-R200 IonicContact OE1-CZ 3.79Å; E196-R200 IonicContact OE1-NH1 2.79Å; E196-R200 PolarHBondContact OE1-NH1 3.04Å; E196-R200 IonicContact OE1-NH2 3.16Å; E196-R200 PolarHBondContact OE1-NH2 3.07Å; E196-R200 IonicContact OE2-NH1 3.82Å
197I98.2Very high95.4Very high0 Ų046.1 Ų46.10%025%0.249CC..Hα-helixtrans-60.6-54.7165.4-68.4166000109.2Y177 V178 L182 D193 I194 R199 R200 V201 T270 L273 L274Y177-I197 HydrophobicContact CD1-CG1 4.09Å; Y177-I197 HydrophobicContact CE1-CG1 4.02Å; V178-I197 HydrophobicContact CG2-CD1 4.17Å; V178-I197 HydrophobicContact CG2-CG1 4.07Å; L182-I197 HydrophobicContact CD1-CD1 3.78Å; L182-I197 HydrophobicContact CD1-CG1 3.99Å; D193-I197 VanDerWaalsContact O-CG1 3.29Å; D193-I197 WeakPolarHBondContact O-CG1 3.4Å; D193-I197 PolarHBondContact O-N 3.27Å; I194-I197 PolarHBondContact O-N 3.33Å; I197-R199 VanDerWaalsContact C-N 3.28Å; I197-R199 PolarHBondContact O-N 3.38Å; I197-R200 PolarHBondContact O-N 3.21Å; I197-V201 HydrophobicContact CG2-CG2 4.17Å; I197-V201 WeakPolarHBondContact O-CG2 3.47Å; I197-V201 PolarHBondContact O-N 3.47Å; I197-T270 HydrophobicContact CG2-CG2 4.04Å; I197-L273 HydrophobicContact CG2-CB 4.17Å; I197-L273 HydrophobicContact CG2-CD1 3.73Å; I197-L274 HydrophobicContact CD1-CD2 3.64Å
198H98.3Very high95.9Very high2 Ų249.3 Ų49.31%0.00926%0.257CS..Hα-helixtrans-62-36.5-176.9178.5-107.1000112.4I194 L195 R200 V201 Y202 G211 F263 D265 T270I194-H198 WeakPolarHBondContact O-CB 3.28Å; I194-H198 PolarHBondContact O-N 3.29Å; L195-H198 PolarHBondContact O-N 2.96Å; H198-R200 PolarHBondContact O-N 3.17Å; H198-V201 PolarHBondContact O-N 2.99Å; H198-Y202 PolarHBondContact O-N 3.45Å; H198-G211 PolarHBondContact ND1-N 3.47Å; H198-F263 HydrophobicContact CB-CD2 3.99Å; H198-F263 HydrophobicContact CB-CE1 4.18Å; H198-F263 HydrophobicContact CB-CE2 3.4Å; H198-F263 HydrophobicContact CB-CZ 3.53Å; H198-F263 AromaticContact CD2-CD2 3.3Å; H198-F263 WeakPolarHBondContact CD2-CD2 3.33Å; H198-F263 AromaticContact CD2-CE2 3.69Å; H198-F263 AromaticContact CD2-CG 3.62Å; H198-F263 AromaticContact CE1-CD1 3.56Å; H198-F263 AromaticContact CE1-CD2 3.93Å; H198-F263 AromaticContact CE1-CG 3.41Å; H198-F263 VanDerWaalsContact CE1-CG 3.41Å; H198-F263 WeakPolarHBondContact CE1-CG 3.48Å; H198-F263 AromaticContact CG-CD1 3.87Å; H198-F263 AromaticContact CG-CD2 3.39Å; H198-F263 AromaticContact CG-CE1 3.85Å; H198-F263 AromaticContact CG-CE2 3.33Å; H198-F263 AromaticContact CG-CG 3.65Å; H198-F263 AromaticContact CG-CZ 3.59Å; H198-F263 AromaticContact ND1-CD1 3.36Å; H198-F263 WeakPolarHBondContact ND1-CD1 3.42Å; H198-F263 AromaticContact ND1-CD2 3.76Å; H198-F263 AromaticContact ND1-CE1 3.51Å; H198-F263 AromaticContact ND1-CE2 3.87Å; H198-F263 AromaticContact ND1-CG 3.5Å; H198-F263 WeakPolarHBondContact ND1-CG 3.4Å; H198-F263 AromaticContact ND1-CZ 3.77Å; H198-F263 WeakPolarHBondContact NE2-CB 3.26Å; H198-F263 AromaticContact NE2-CD2 3.69Å; H198-F263 AromaticContact NE2-CG 3.49Å; H198-F263 WeakPolarHBondContact NE2-CG 3.32Å; H198-D265 PolarHBondContact NE2-O 3.15Å; H198-T270 HydrophobicContact CB-CG2 4.43Å
199R98.5Very high96.2Very high86 Ų8645.3 Ų45.333%0.32524%0.241SC..Hα-helixtrans-54.8-40.1173.9-172.3176.5-45.8-55.4-7.1112.4L195 E196 I197 G203 A210 G211L195-R199 VanDerWaalsContact O-CB 3.28Å; L195-R199 WeakPolarHBondContact O-CB 3.44Å; L195-R199 PolarHBondContact O-N 3.21Å; E196-R199 WeakPolarHBondContact OE2-CD 3.24Å; E196-R199 IonicContact OE2-NE 3Å; E196-R199 PolarHBondContact OE2-NE 2.87Å; I197-R199 VanDerWaalsContact C-N 3.28Å; I197-R199 PolarHBondContact O-N 3.38Å; R199-G203 WeakPolarHBondContact O-CA 3.28Å; R199-G203 PolarHBondContact O-N 3.39Å; R199-A210 PolarHBondContact NH1-O 2.6Å; R199-G211 PolarHBondContact NH2-O 3.18Å
200R98.5Very high96.4Very high66 Ų6644.6 Ų44.625%0.24924%0.238CC..Hα-helixtrans-77.3-43.6176.6-77159.1-173.865.4-1.4112.1G170 A173 A174 Y177 E196 I197 H198 Y202G170-R200 CarbonylContact C-O 3.55Å; G170-R200 WeakPolarHBondContact CA-O 3.24Å; G170-R200 CarbonylContact O-C 3.59Å; A173-R200 HydrophobicContact CB-CB 4.14Å; A173-R200 HydrophobicContact CB-CG 4.18Å; A173-R200 WeakPolarHBondContact O-CD 3.39Å; A174-R200 HydrophobicContact CB-CB 3.71Å; Y177-R200 VanDerWaalsContact CB-NE 3.31Å; E196-R200 PolarHBondContact O-N 2.99Å; E196-R200 PolarHBondContact O-NH1 3.39Å; E196-R200 IonicContact OE1-CZ 3.79Å; E196-R200 IonicContact OE1-NH1 2.79Å; E196-R200 PolarHBondContact OE1-NH1 3.04Å; E196-R200 IonicContact OE1-NH2 3.16Å; E196-R200 PolarHBondContact OE1-NH2 3.07Å; E196-R200 IonicContact OE2-NH1 3.82Å; I197-R200 PolarHBondContact O-N 3.21Å; H198-R200 PolarHBondContact O-N 3.17Å; R200-Y202 VanDerWaalsContact C-N 3.26Å; R200-Y202 PolarHBondContact O-N 3.32Å
201V98.4Very high96.6Very high0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-54.2-44.9179.2169.80000111.1M171 A174 I197 H198 R269 L273M171-V201 HydrophobicContact SD-CG1 4.13Å; M171-V201 HydrophobicContact SD-CG2 4.14Å; A174-V201 HydrophobicContact CB-CG2 3.59Å; I197-V201 HydrophobicContact CG2-CG2 4.17Å; I197-V201 WeakPolarHBondContact O-CG2 3.47Å; I197-V201 PolarHBondContact O-N 3.47Å; H198-V201 PolarHBondContact O-N 2.99Å; V201-R269 HydrophobicContact CG1-CB 3.68Å; V201-L273 HydrophobicContact CG2-CD1 3.55Å
202Y97.6Very high96.6Very high26 Ų2645.5 Ų45.510%0.10224%0.237CC..Hα-helixtrans-111.2-9.9-170.3-154.3-125.4000114.5H198 R200 F204 V205 D206 D265H198-Y202 PolarHBondContact O-N 3.45Å; R200-Y202 VanDerWaalsContact C-N 3.26Å; R200-Y202 PolarHBondContact O-N 3.32Å; Y202-F204 VanDerWaalsContact C-N 3.31Å; Y202-F204 PolarHBondContact O-N 3.33Å; Y202-V205 HydrophobicContact CD2-CB 3.99Å; Y202-V205 HydrophobicContact CD2-CG1 4.31Å; Y202-V205 HydrophobicContact CD2-CG2 4.48Å; Y202-V205 HydrophobicContact CE2-CB 3.88Å; Y202-V205 HydrophobicContact CE2-CG1 3.68Å; Y202-V205 PolarHBondContact O-N 2.96Å; Y202-D206 HydrophobicContact CD1-CB 3.83Å; Y202-D206 HydrophobicContact CE1-CB 3.41Å; Y202-D206 VanDerWaalsContact CE1-CB 3.41Å; Y202-D206 PolarHBondContact O-N 3.21Å; Y202-D265 HydrophobicContact CE1-CB 4.14Å; Y202-D265 HydrophobicContact CE2-CB 3.76Å; Y202-D265 VanDerWaalsContact CE2-OD2 3.29Å; Y202-D265 WeakPolarHBondContact CE2-OD2 3.31Å; Y202-D265 WeakPolarHBondContact OH-CB 3.46Å; Y202-D265 PolarHBondContact OH-OD2 3.15Å; Y202-D265 VanDerWaalsContact OH-OD2 3.13Å
203G97.9Very high96.6Very high20 Ų2043.6 Ų43.621%0.20623%0.226CC..Hα-helixtrans-63.4-28-171.300000115.8R199 P207 A210R199-G203 WeakPolarHBondContact O-CA 3.28Å; R199-G203 PolarHBondContact O-N 3.39Å; G203-P207 WeakPolarHBondContact O-CA 3.34Å; G203-P207 WeakPolarHBondContact O-CB 3.34Å; G203-A210 VanDerWaalsContact CA-CB 3.42Å
204F97.4Very high96.3Very high103 Ų10344.4 Ų44.445%0.45223%0.229SC..THydrogen-bonded Turntrans-78.7-20.7173.7-66.5-87000112.8N166 L169 A173 Y202N166-F204 HydrophobicContact CB-CB 3.62Å; N166-F204 WeakPolarHBondContact CB-O 3.47Å; N166-F204 PolarHBondContact ND2-O 3.48Å; N166-F204 WeakPolarHBondContact O-CB 3.48Å; L169-F204 HydrophobicContact CB-CD2 4.3Å; L169-F204 HydrophobicContact CB-CE2 4.39Å; L169-F204 HydrophobicContact CB-CG 4.37Å; A173-F204 HydrophobicContact CB-CE2 4.03Å; Y202-F204 VanDerWaalsContact C-N 3.31Å; Y202-F204 PolarHBondContact O-N 3.33Å
205V97.2Very high95.7Very high39 Ų3955.2 Ų55.224%0.23627%0.269CS..THydrogen-bonded Turntrans-91.1-52.7-179.7178.40000110.3I163 N166 E167 Y202I163-V205 HydrophobicContact CG2-CG1 4.19Å; N166-V205 HydrophobicContact CB-CG2 3.95Å; E167-V205 HydrophobicContact CG-CG2 3.72Å; Y202-V205 HydrophobicContact CD2-CB 3.99Å; Y202-V205 HydrophobicContact CD2-CG1 4.31Å; Y202-V205 HydrophobicContact CD2-CG2 4.48Å; Y202-V205 HydrophobicContact CE2-CB 3.88Å; Y202-V205 HydrophobicContact CE2-CG1 3.68Å; Y202-V205 PolarHBondContact O-N 2.96Å
206D96.5Very high94.9Very high51 Ų5160.8 Ų60.827%0.27330%0.295SS..  trans-136.991.81761769.7000109.8Y202 V208 G209 A210Y202-D206 HydrophobicContact CD1-CB 3.83Å; Y202-D206 HydrophobicContact CE1-CB 3.41Å; Y202-D206 VanDerWaalsContact CE1-CB 3.41Å; Y202-D206 PolarHBondContact O-N 3.21Å; D206-V208 PolarHBondContact O-N 3.43Å; D206-V208 WeakPolarHBondContact OD1-CB 3.36Å; D206-V208 PolarHBondContact OD1-N 3.35Å; D206-G209 VanDerWaalsContact CG-N 3.33Å; D206-G209 PolarHBondContact O-N 3.15Å; D206-G209 PolarHBondContact OD1-N 3.11Å; D206-G209 WeakPolarHBondContact OD2-CA 3.42Å; D206-G209 PolarHBondContact OD2-N 3.39Å; D206-A210 WeakPolarHBondContact O-CB 3.45Å; D206-A210 PolarHBondContact O-N 3.24Å
207P95.8Very high94Very high98 Ų9862.4 Ų62.464%0.63630%0.302SS*.THydrogen-bonded Turntrans-65.1-16.7179.125.4-34000113.7G203G203-P207 WeakPolarHBondContact O-CA 3.34Å; G203-P207 WeakPolarHBondContact O-CB 3.34Å
208V95.1Very high93.1Very high119 Ų11964.3 Ų64.372%0.72131%0.314SS*.THydrogen-bonded Turntrans-82-50.1-179.8-177.50000110D206 H212D206-V208 PolarHBondContact O-N 3.43Å; D206-V208 WeakPolarHBondContact OD1-CB 3.36Å; D206-V208 PolarHBondContact OD1-N 3.35Å; V208-H212 PolarHBondContact O-ND1 3.32Å; V208-H212 VanDerWaalsContact O-ND1 3.1Å
209G93.5Very high92Very high20 Ų2071.3 Ų71.321%0.20634%0.344CS..THydrogen-bonded Turntrans-75.3-25.217800000114D206 G211 H212D206-G209 VanDerWaalsContact CG-N 3.33Å; D206-G209 PolarHBondContact O-N 3.15Å; D206-G209 PolarHBondContact OD1-N 3.11Å; D206-G209 WeakPolarHBondContact OD2-CA 3.42Å; D206-G209 PolarHBondContact OD2-N 3.39Å; G209-G211 PolarHBondContact O-N 3.34Å; G209-H212 PolarHBondContact O-N 2.98Å; G209-H212 VanDerWaalsContact O-N 3.13Å
210A96.9Very high90.6Very high1 Ų169.8 Ų69.81%0.00834%0.344CS..THydrogen-bonded Turntrans-58.3128.4-176.600000112.6R199 G203 D206 H212R199-A210 PolarHBondContact NH1-O 2.6Å; G203-A210 VanDerWaalsContact CA-CB 3.42Å; D206-A210 WeakPolarHBondContact O-CB 3.45Å; D206-A210 PolarHBondContact O-N 3.24Å; A210-H212 VanDerWaalsContact C-N 3.31Å; A210-H212 PolarHBondContact O-N 3.2Å; A210-H212 PolarHBondContact O-ND1 2.89Å; A210-H212 VanDerWaalsContact O-ND1 3.17Å
211G95.9Very high89.5Confident1 Ų169.8 Ų69.81%0.0137%0.365CS..THydrogen-bonded Turntrans66.324.5-178.300000115.5L195 H198 R199 G209L195-G211 WeakPolarHBondContact O-CA 3.41Å; H198-G211 PolarHBondContact ND1-N 3.47Å; R199-G211 PolarHBondContact NH2-O 3.18Å; G209-G211 PolarHBondContact O-N 3.34Å
212H94Very high88Confident103 Ų10377.3 Ų77.348%0.47741%0.406SS..SBendtrans-127137.8171.5-60.699.5000110.3V208 G209 A210 F263V208-H212 PolarHBondContact O-ND1 3.32Å; V208-H212 VanDerWaalsContact O-ND1 3.1Å; G209-H212 PolarHBondContact O-N 2.98Å; G209-H212 VanDerWaalsContact O-N 3.13Å; A210-H212 VanDerWaalsContact C-N 3.31Å; A210-H212 PolarHBondContact O-N 3.2Å; A210-H212 PolarHBondContact O-ND1 2.89Å; A210-H212 VanDerWaalsContact O-ND1 3.17Å; H212-F263 WeakPolarHBondContact O-CD1 3.48Å
213F92.8Very high86.6Confident84 Ų8478.7 Ų78.737%0.36841%0.412SS..  trans-63.2148.2174.9-60.9-46.7000112V191 L195 M229 P262 F263V191-F213 HydrophobicContact CG1-CE2 4.14Å; V191-F213 HydrophobicContact CG1-CZ 3.67Å; L195-F213 HydrophobicContact CD2-CD1 4.04Å; L195-F213 HydrophobicContact CD2-CE1 3.59Å; L195-F213 HydrophobicContact CD2-CE2 4.26Å; L195-F213 HydrophobicContact CD2-CZ 3.73Å; L195-F213 HydrophobicContact CG-CZ 4.39Å; F213-M229 HydrophobicContact CD1-CG 4.45Å; F213-M229 HydrophobicContact CE1-CB 4.42Å; F213-M229 HydrophobicContact CE1-CG 3.65Å; F213-M229 HydrophobicContact CZ-CB 4Å; F213-M229 HydrophobicContact CZ-CG 3.74Å; F213-P262 CarbonylContact C-O 3.36Å; F213-P262 VanDerWaalsContact CA-O 3.31Å; F213-P262 WeakPolarHBondContact CA-O 3.18Å; F213-P262 HydrophobicContact CD1-CB 3.72Å; F213-P262 HydrophobicContact CE1-CB 3.92Å; F213-F263 HydrophobicContact CD1-CD1 4.04Å; F213-F263 AromaticContact CD1-CE1 3.55Å; F213-F263 HydrophobicContact CD1-CE1 3.55Å; F213-F263 HydrophobicContact CD1-CZ 4.25Å; F213-F263 AromaticContact CE1-CE1 3.8Å; F213-F263 HydrophobicContact CE1-CE1 3.8Å; F213-F263 HydrophobicContact CE1-CZ 4.06Å
214R89Confident85.4Confident26 Ų2683.1 Ų83.110%0.09843%0.427CS..  trans-61.3142.4174.869-174.3176.781.9-0.7110.3H216 P225 H261 P262 V264R214-H216 PolarHBondContact NH1-O 3.1Å; R214-P225 PolarHBondContact NH2-O 3.26Å; R214-H261 VanDerWaalsContact CD-O 3.31Å; R214-H261 WeakPolarHBondContact CD-O 3.26Å; R214-H261 PolarHBondContact NE-O 3.3Å; R214-P262 WeakPolarHBondContact CG-O 3.49Å; R214-P262 PolarHBondContact N-O 2.69Å; R214-V264 HydrophobicContact CB-CG2 3.89Å
215R83.7Confident84.1Confident227 Ų22778.2 Ų78.286%0.85741%0.406SS*.SBendtrans-102.5-4.6176.4-62.9-177.2-178.9177.90.2113.5
216H80.2Confident82.7Confident150 Ų15079.4 Ų79.469%0.69441%0.413SS*.SBendtrans-129.6152.7-175.6-56.2-59.7000110.3R214R214-H216 PolarHBondContact NH1-O 3.1Å
217Q78.9Confident81.3Confident89 Ų8981.4 Ų81.442%0.41643%0.429SS..  trans-73138.7177.1-164.564.7-16.900111E224 P225Q217-E224 PolarHBondContact NE2-OE1 3.45Å; Q217-P225 PolarHBondContact NE2-O 3.22Å
218V78.8Confident80.7Confident40 Ų4082.1 Ų82.124%0.24242%0.424CS..  trans-130.6154.8178-61.40000108.9P225V218-P225 HydrophobicContact CG2-CG 4.44Å; V218-P225 WeakPolarHBondContact O-CD 3.44Å
219F75.6Confident80.4Confident148 Ų14877 Ų7765%0.64939%0.392SS*.  trans-110.6138174.2-69.3-84.7000109.8E224F219-E224 HydrophobicContact CE1-CB 4.32Å; F219-E224 HydrophobicContact CE1-CG 4.4Å
220V69.6Low80.1Confident54 Ų5479.1 Ų79.133%0.32741%0.408SS..BIsolated β-bridgetrans-11688.6178.2-174.20000107.9D222 F223 P225 H261V220-D222 PolarHBondContact O-N 3.27Å; V220-F223 PolarHBondContact N-O 2.89Å; V220-F223 WeakPolarHBondContact O-CB 3.44Å; V220-F223 PolarHBondContact O-N 3.45Å; V220-P225 HydrophobicContact CG2-CG 3.95Å; V220-H261 HydrophobicContact CG2-CB 4.42Å; V220-H261 WeakPolarHBondContact CG2-CE1 3.4Å; V220-H261 WeakPolarHBondContact CG2-ND1 3.49Å
221G74.1Confident79.8Confident67 Ų6781.5 Ų81.569%0.69143%0.428SS*.THydrogen-bonded Turntrans61.6-124.6-164.300000110.1F223G221-F223 VanDerWaalsContact C-N 3.31Å
222D68.6Low79.8Confident158 Ų15881.7 Ų81.785%0.84543%0.429SS*.THydrogen-bonded Turntrans-88.45.8179.1-56.6-38.3000113.3V220V220-D222 PolarHBondContact O-N 3.27Å
223F67.7Low79.7Confident55 Ų5577.6 Ų77.624%0.24141%0.41CS..BIsolated β-bridgetrans-107135.6-170.3-177.1-95.1000112.8V220 G221 P225 V259V220-F223 PolarHBondContact N-O 2.89Å; V220-F223 WeakPolarHBondContact O-CB 3.44Å; V220-F223 PolarHBondContact O-N 3.45Å; G221-F223 VanDerWaalsContact C-N 3.31Å; F223-P225 HydrophobicContact CD1-CG 4.33Å; F223-P225 HydrophobicContact CE1-CB 4.27Å; F223-P225 HydrophobicContact CE1-CG 4.33Å; F223-V259 HydrophobicContact CE1-CB 4.38Å; F223-V259 HydrophobicContact CE1-CG1 4.01Å; F223-V259 VanDerWaalsContact CE1-O 3.23Å; F223-V259 WeakPolarHBondContact CE1-O 3.39Å; F223-V259 HydrophobicContact CE2-CG1 4.48Å; F223-V259 HydrophobicContact CZ-CB 4.34Å; F223-V259 HydrophobicContact CZ-CG1 3.57Å
224E72.5Confident79.7Confident112 Ų11278.8 Ų78.852%0.52342%0.42SS..  trans-104110.4179.2-174173-173.300111Q217 F219Q217-E224 PolarHBondContact NE2-OE1 3.45Å; F219-E224 HydrophobicContact CE1-CB 4.32Å; F219-E224 HydrophobicContact CE1-CG 4.4Å
225P68.9Low79.9Confident1 Ų179.7 Ų79.71%0.00642%0.424CS..  trans-77145.3-174.6-14.530.2000115.1R214 Q217 V218 V220 F223 V259 I260 H261R214-P225 PolarHBondContact NH2-O 3.26Å; Q217-P225 PolarHBondContact NE2-O 3.22Å; V218-P225 HydrophobicContact CG2-CG 4.44Å; V218-P225 WeakPolarHBondContact O-CD 3.44Å; V220-P225 HydrophobicContact CG2-CG 3.95Å; F223-P225 HydrophobicContact CD1-CG 4.33Å; F223-P225 HydrophobicContact CE1-CB 4.27Å; F223-P225 HydrophobicContact CE1-CG 4.33Å; P225-V259 WeakPolarHBondContact CA-O 3.4Å; P225-V259 WeakPolarHBondContact CB-O 3.34Å; P225-I260 WeakPolarHBondContact CB-O 3.44Å; P225-H261 HydrophobicContact CB-CB 3.42Å; P225-H261 VanDerWaalsContact CB-CB 3.42Å; P225-H261 HydrophobicContact CG-CB 3.48Å; P225-H261 VanDerWaalsContact CG-CB 3.48Å
226T68.2Low80.3Confident63 Ų6369.5 Ų69.539%0.38739%0.386SS..  trans-107.3120.817554.80000111E228 I260T226-E228 PolarHBondContact O-N 2.95Å; T226-I260 VanDerWaalsContact O-CA 3.32Å; T226-I260 WeakPolarHBondContact O-CA 3.47Å; T226-I260 WeakPolarHBondContact O-CG2 3.35Å
227P67.2Low80.7Confident94 Ų9464.5 Ų64.561%0.6136%0.364SS*.  trans-77.566.2-174.832.2-35.3000112.7
228E83.2Confident81.3Confident112 Ų11264.4 Ų64.452%0.52337%0.366SS..  trans-102.347.6-174.9-64.9-177.317900113.4T226 A230 A231 L232T226-E228 PolarHBondContact O-N 2.95Å; E228-A230 VanDerWaalsContact C-N 3.29Å; E228-A230 PolarHBondContact O-N 3.36Å; E228-A231 HydrophobicContact CB-CB 4.22Å; E228-A231 PolarHBondContact O-N 3.37Å; E228-L232 PolarHBondContact O-N 3.14Å; E228-L232 VanDerWaalsContact O-N 3.14Å
229M89.8Confident81.8Confident11 Ų1169 Ų695%0.05439%0.389CS..Hα-helixtrans-60.3-34.6-177-76.8-60.1-56.200114.1I194 F213 L232 I233 F257 I260 P262I194-M229 HydrophobicContact CB-CE 4.4Å; I194-M229 HydrophobicContact CD1-CE 3.5Å; I194-M229 HydrophobicContact CG2-CE 3.98Å; F213-M229 HydrophobicContact CD1-CG 4.45Å; F213-M229 HydrophobicContact CE1-CB 4.42Å; F213-M229 HydrophobicContact CE1-CG 3.65Å; F213-M229 HydrophobicContact CZ-CB 4Å; F213-M229 HydrophobicContact CZ-CG 3.74Å; M229-L232 HydrophobicContact CE-CD2 4.12Å; M229-L232 PolarHBondContact O-N 3.02Å; M229-L232 HydrophobicContact SD-CD2 4.17Å; M229-I233 WeakPolarHBondContact O-CG1 3.33Å; M229-I233 PolarHBondContact O-N 3.39Å; M229-I233 VanDerWaalsContact O-N 3.12Å; M229-F257 HydrophobicContact CE-CD2 4.27Å; M229-F257 HydrophobicContact CE-CE2 4.06Å; M229-F257 HydrophobicContact SD-CD2 4.12Å; M229-F257 HydrophobicContact SD-CE2 3.99Å; M229-I260 HydrophobicContact CG-CG2 4.07Å; M229-I260 HydrophobicContact SD-CG2 3.83Å; M229-P262 HydrophobicContact CG-CB 3.74Å; M229-P262 HydrophobicContact CG-CG 4.29Å; M229-P262 HydrophobicContact SD-CB 3.84Å; M229-P262 HydrophobicContact SD-CG 3.7Å
230A87.2Confident82.5Confident65 Ų6566.7 Ų66.754%0.53739%0.388SS..Hα-helixtrans-62.5-46.8176.200000111.3E228 L232 I233 D234E228-A230 VanDerWaalsContact C-N 3.29Å; E228-A230 PolarHBondContact O-N 3.36Å; A230-L232 VanDerWaalsContact C-N 3.28Å; A230-L232 PolarHBondContact O-N 3.15Å; A230-I233 PolarHBondContact O-N 3.33Å; A230-I233 VanDerWaalsContact O-N 3.16Å; A230-D234 WeakPolarHBondContact O-CB 3.34Å; A230-D234 VanDerWaalsContact O-CG 3.29Å; A230-D234 PolarHBondContact O-N 3.46Å
231A91.1Very high83.4Confident51 Ų5164.2 Ų64.242%0.42137%0.373SS..Hα-helixtrans-63.3-33.517800000112.5E228 W235E228-A231 HydrophobicContact CB-CB 4.22Å; E228-A231 PolarHBondContact O-N 3.37Å; A231-W235 WeakPolarHBondContact O-CB 3.1Å; A231-W235 PolarHBondContact O-N 2.99Å
232L93.9Very high83.9Confident6 Ų667.3 Ų67.33%0.03137%0.371CS..Hα-helixtrans-63.5-47.5173.4-178.966.2000112E228 M229 A230 W235 L236 L253 K256 F257 I260E228-L232 PolarHBondContact O-N 3.14Å; E228-L232 VanDerWaalsContact O-N 3.14Å; M229-L232 HydrophobicContact CE-CD2 4.12Å; M229-L232 PolarHBondContact O-N 3.02Å; M229-L232 HydrophobicContact SD-CD2 4.17Å; A230-L232 VanDerWaalsContact C-N 3.28Å; A230-L232 PolarHBondContact O-N 3.15Å; L232-W235 HydrophobicContact CD1-CE3 3.97Å; L232-W235 HydrophobicContact CD1-CZ3 4.26Å; L232-W235 PolarHBondContact O-N 3.19Å; L232-L236 WeakPolarHBondContact O-CB 3.37Å; L232-L236 PolarHBondContact O-N 2.81Å; L232-L253 HydrophobicContact CD1-CD1 3.98Å; L232-L253 HydrophobicContact CD2-CD1 4.14Å; L232-L253 HydrophobicContact CG-CD1 4.21Å; L232-K256 HydrophobicContact CD1-CB 3.58Å; L232-K256 HydrophobicContact CD1-CD 4.07Å; L232-K256 HydrophobicContact CD1-CG 4.48Å; L232-F257 HydrophobicContact CD2-CB 4.14Å; L232-F257 HydrophobicContact CD2-CD2 3.91Å; L232-I260 HydrophobicContact CB-CD1 3.67Å; L232-I260 HydrophobicContact CD1-CD1 4.39Å; L232-I260 HydrophobicContact CD2-CD1 4.03Å; L232-I260 HydrophobicContact CG-CD1 4.24Å
233I92.6Very high84.9Confident16 Ų1670.2 Ų70.28%0.08237%0.37CS..Hα-helixtrans-66.7-43.7179.6-67.6-56.8000110.7V191 I194 M229 A230 W235 L236 N237V191-I233 HydrophobicContact CG2-CB 4.48Å; V191-I233 HydrophobicContact CG2-CG1 3.67Å; I194-I233 HydrophobicContact CD1-CD1 3.65Å; M229-I233 WeakPolarHBondContact O-CG1 3.33Å; M229-I233 PolarHBondContact O-N 3.39Å; M229-I233 VanDerWaalsContact O-N 3.12Å; A230-I233 PolarHBondContact O-N 3.33Å; A230-I233 VanDerWaalsContact O-N 3.16Å; I233-W235 VanDerWaalsContact C-N 3.34Å; I233-W235 PolarHBondContact O-N 2.94Å; I233-L236 PolarHBondContact O-N 3.07Å; I233-N237 WeakPolarHBondContact CG2-ND2 3.42Å; I233-N237 WeakPolarHBondContact O-CB 3.41Å; I233-N237 VanDerWaalsContact O-CG 3.29Å; I233-N237 PolarHBondContact O-N 2.98Å; I233-N237 VanDerWaalsContact O-N 3.1Å; I233-N237 PolarHBondContact O-ND2 3.27Å
234D92.2Very high86.3Confident109 Ų10969.7 Ų69.758%0.58337%0.369SS*.Hα-helixtrans-58.7-48175.8-69.5-19000110.5A230 L236 N237 L238A230-D234 WeakPolarHBondContact O-CB 3.34Å; A230-D234 VanDerWaalsContact O-CG 3.29Å; A230-D234 PolarHBondContact O-N 3.46Å; D234-L236 PolarHBondContact O-N 2.99Å; D234-N237 PolarHBondContact O-N 3.46Å; D234-L238 WeakPolarHBondContact O-CG 3.38Å; D234-L238 PolarHBondContact O-N 3.38Å
235W94.3Very high87.5Confident46 Ų4666 Ų6617%0.17435%0.351CS..Hα-helixtrans-58.7-44.9175.8167.976.3000112.6A231 L232 I233 N237 L238 T241 I244 L249 L252 L253 K256A231-W235 WeakPolarHBondContact O-CB 3.1Å; A231-W235 PolarHBondContact O-N 2.99Å; L232-W235 HydrophobicContact CD1-CE3 3.97Å; L232-W235 HydrophobicContact CD1-CZ3 4.26Å; L232-W235 PolarHBondContact O-N 3.19Å; I233-W235 VanDerWaalsContact C-N 3.34Å; I233-W235 PolarHBondContact O-N 2.94Å; W235-N237 PolarHBondContact O-N 2.96Å; W235-L238 PolarHBondContact O-N 2.96Å; W235-T241 HydrophobicContact CD2-CG2 4.41Å; W235-T241 HydrophobicContact CH2-CG2 4.25Å; W235-T241 HydrophobicContact CZ2-CG2 3.94Å; W235-T241 VanDerWaalsContact O-CB 3.26Å; W235-T241 WeakPolarHBondContact O-CB 3.43Å; W235-T241 PolarHBondContact O-OG1 2.96Å; W235-I244 HydrophobicContact CZ2-CD1 4.48Å; W235-L249 HydrophobicContact CH2-CD1 3.73Å; W235-L249 HydrophobicContact CZ2-CD1 4.24Å; W235-L249 HydrophobicContact CZ3-CD1 4.37Å; W235-L252 HydrophobicContact CH2-CB 3.67Å; W235-L252 HydrophobicContact CZ2-CB 4Å; W235-L252 HydrophobicContact CZ2-CD1 4.16Å; W235-L253 HydrophobicContact CZ3-CB 4.34Å; W235-L253 HydrophobicContact CZ3-CD1 4.47Å; W235-K256 HydrophobicContact CD2-CD 3.91Å; W235-K256 HydrophobicContact CE3-CD 3.73Å; W235-K256 HydrophobicContact CH2-CD 3.89Å; W235-K256 HydrophobicContact CZ2-CD 4.07Å; W235-K256 HydrophobicContact CZ3-CD 3.72Å
236L92.7Very high88.8Confident13 Ų1367.9 Ų67.97%0.06836%0.364CS..Hα-helixtrans-61.2-31.7-179.2-175.361.3000111.7L189 L232 I233 D234 L249 L253L189-L236 HydrophobicContact CB-CD2 3.88Å; L189-L236 HydrophobicContact CD2-CD2 3.61Å; L189-L236 HydrophobicContact CG-CD2 4.32Å; L232-L236 WeakPolarHBondContact O-CB 3.37Å; L232-L236 PolarHBondContact O-N 2.81Å; I233-L236 PolarHBondContact O-N 3.07Å; D234-L236 PolarHBondContact O-N 2.99Å; L236-L249 HydrophobicContact CD1-CD1 4.05Å; L236-L253 HydrophobicContact CD1-CD2 4.32Å; L236-L253 HydrophobicContact CD2-CD1 4.32Å; L236-L253 HydrophobicContact CD2-CD2 4.26Å
237N87.9Confident90.3Very high45 Ų4564.9 Ų64.924%0.24135%0.345CS..THydrogen-bonded Turntrans-94.85.4-175.7-65-32.7000114.1L188 I233 D234 W235L188-N237 WeakPolarHBondContact CB-OD1 3.26Å; L188-N237 HydrophobicContact CD1-CB 4.07Å; L188-N237 HydrophobicContact CD2-CB 4.41Å; L188-N237 WeakPolarHBondContact CD2-OD1 3.48Å; I233-N237 WeakPolarHBondContact CG2-ND2 3.42Å; I233-N237 WeakPolarHBondContact O-CB 3.41Å; I233-N237 VanDerWaalsContact O-CG 3.29Å; I233-N237 PolarHBondContact O-N 2.98Å; I233-N237 VanDerWaalsContact O-N 3.1Å; I233-N237 PolarHBondContact O-ND2 3.27Å; D234-N237 PolarHBondContact O-N 3.46Å; W235-N237 PolarHBondContact O-N 2.96Å
238L92.3Very high91.7Very high87 Ų8763.5 Ų63.546%0.45533%0.331SS..SBendtrans-72.1141.3173-66173.8000111.6D234 W235 T240 T241 M242D234-L238 WeakPolarHBondContact O-CG 3.38Å; D234-L238 PolarHBondContact O-N 3.38Å; W235-L238 PolarHBondContact O-N 2.96Å; L238-T240 PolarHBondContact O-N 2.98Å; L238-T240 VanDerWaalsContact O-N 3.16Å; L238-T241 WeakPolarHBondContact O-CA 3.43Å; L238-T241 VanDerWaalsContact O-CB 3.32Å; L238-T241 WeakPolarHBondContact O-CB 3.39Å; L238-T241 PolarHBondContact O-N 3.47Å; L238-M242 PolarHBondContact O-N 3.45Å
239D88.9Confident92.4Very high136 Ų13658.9 Ų58.973%0.72731%0.31SS*.THydrogen-bonded Turntrans-56.1-33.6174.1-72.7-20.5000113.1T241 M242D239-T241 VanDerWaalsContact C-N 3.31Å; D239-M242 PolarHBondContact O-N 2.99Å
240T90.1Very high92.8Very high100 Ų10058.4 Ų58.461%0.61331%0.307SS*.THydrogen-bonded Turntrans-65.9-36176.149.60000111.9L238 R243L238-T240 PolarHBondContact O-N 2.98Å; L238-T240 VanDerWaalsContact O-N 3.16Å; T240-R243 PolarHBondContact O-N 2.99Å
241T89.1Confident93.3Very high2 Ų255.3 Ų55.31%0.01228%0.282CS..G310 helixtrans-70.6-35.8179.7-57.80000110.7W235 L238 D239 R243 I244 L249W235-T241 HydrophobicContact CD2-CG2 4.41Å; W235-T241 HydrophobicContact CH2-CG2 4.25Å; W235-T241 HydrophobicContact CZ2-CG2 3.94Å; W235-T241 VanDerWaalsContact O-CB 3.26Å; W235-T241 WeakPolarHBondContact O-CB 3.43Å; W235-T241 PolarHBondContact O-OG1 2.96Å; L238-T241 WeakPolarHBondContact O-CA 3.43Å; L238-T241 VanDerWaalsContact O-CB 3.32Å; L238-T241 WeakPolarHBondContact O-CB 3.39Å; L238-T241 PolarHBondContact O-N 3.47Å; D239-T241 VanDerWaalsContact C-N 3.31Å; T241-R243 PolarHBondContact O-N 3.16Å; T241-R243 VanDerWaalsContact O-N 3.13Å; T241-I244 HydrophobicContact CG2-CD1 4.26Å; T241-I244 WeakPolarHBondContact O-CB 3.48Å; T241-I244 WeakPolarHBondContact O-CG1 3.36Å; T241-I244 PolarHBondContact O-N 3.46Å; T241-L249 HydrophobicContact CG2-CD1 3.31Å
242M82.6Confident93.7Very high131 Ų13153.9 Ų53.965%0.64527%0.267SS*.G310 helixtrans-64.8-13.3174.7-64-62.4-72.200114.1L238 D239L238-M242 PolarHBondContact O-N 3.45Å; D239-M242 PolarHBondContact O-N 2.99Å
243R91.6Very high93.8Very high220 Ų22053.7 Ų53.783%0.8327%0.266SS*.G310 helixtrans-92.8-9175.2-62.9-179.9-174.6-158.90.9113.5T240 T241T240-R243 PolarHBondContact O-N 2.99Å; T241-R243 PolarHBondContact O-N 3.16Å; T241-R243 VanDerWaalsContact O-N 3.13Å
244I95.8Very high94.1Very high43 Ų4352.9 Ų52.922%0.22126%0.262CS..SBendtrans-70.3140.1176.1-59.3176.9000108.2W235 T241 E248 L249 L252W235-I244 HydrophobicContact CZ2-CD1 4.48Å; T241-I244 HydrophobicContact CG2-CD1 4.26Å; T241-I244 WeakPolarHBondContact O-CB 3.48Å; T241-I244 WeakPolarHBondContact O-CG1 3.36Å; T241-I244 PolarHBondContact O-N 3.46Å; I244-E248 HydrophobicContact CG2-CB 3.75Å; I244-E248 HydrophobicContact CG2-CG 3.64Å; I244-L249 HydrophobicContact CB-CB 4.32Å; I244-L249 HydrophobicContact CG2-CB 4.07Å; I244-L252 HydrophobicContact CD1-CD1 3.99Å; I244-L252 HydrophobicContact CG2-CD1 4.34Å
245H97.5Very high94.3Very high34 Ų3449.3 Ų49.316%0.15724%0.241CC..  trans-56.5135.7176.3-178.2-83.4000110.3L99 D103 V247 E248 L249L99-H245 HydrophobicContact CD1-CB 3.93Å; D103-H245 IonicContact OD1-CD2 2.61Å; D103-H245 IonicContact OD1-NE2 2.69Å; D103-H245 PolarHBondContact OD1-NE2 3.23Å; D103-H245 VanDerWaalsContact OD1-NE2 3.11Å; D103-H245 IonicContact OD2-NE2 3.3Å; H245-V247 VanDerWaalsContact C-N 3.28Å; H245-V247 PolarHBondContact ND1-N 2.96Å; H245-V247 PolarHBondContact O-N 3.44Å; H245-V247 VanDerWaalsContact O-N 3.09Å; H245-E248 HydrophobicContact CB-CB 4.42Å; H245-E248 WeakPolarHBondContact O-CA 3.48Å; H245-E248 WeakPolarHBondContact O-CB 3.36Å; H245-E248 PolarHBondContact O-N 3.24Å; H245-L249 PolarHBondContact O-N 2.91Å
246P97.3Very high94.3Very high41 Ų4150.8 Ų50.827%0.26625%0.248SC..Hα-helixtrans-54.5-37.9-170.4-3035.6000115.4L249 A250 A282 F284P246-L249 PolarHBondContact O-N 2.98Å; P246-A250 VanDerWaalsContact O-CB 3.31Å; P246-A250 WeakPolarHBondContact O-CB 3.44Å; P246-A250 PolarHBondContact O-N 2.86Å; P246-A282 HydrophobicContact CB-CB 3.41Å; P246-A282 VanDerWaalsContact CB-CB 3.41Å; P246-A282 HydrophobicContact CG-CB 3.68Å; P246-F284 HydrophobicContact CB-CE2 4.06Å; P246-F284 HydrophobicContact CG-CE2 4.38Å
247V98.4Very high94.5Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-66.5-39177.2177.50000112L99 L102 H245 A251 L279 F284 I316 A317 T320L99-V247 HydrophobicContact CD2-CB 4.35Å; L99-V247 HydrophobicContact CD2-CG1 4.5Å; L102-V247 HydrophobicContact CD1-CB 4.4Å; L102-V247 HydrophobicContact CD1-CG1 4.06Å; L102-V247 HydrophobicContact CD1-CG2 3.99Å; H245-V247 VanDerWaalsContact C-N 3.28Å; H245-V247 PolarHBondContact ND1-N 2.96Å; H245-V247 PolarHBondContact O-N 3.44Å; H245-V247 VanDerWaalsContact O-N 3.09Å; V247-A251 PolarHBondContact O-N 3.29Å; V247-A251 VanDerWaalsContact O-N 3.12Å; V247-L279 HydrophobicContact CB-CD2 4.39Å; V247-L279 HydrophobicContact CG2-CD2 3.88Å; V247-F284 HydrophobicContact CG2-CD1 4.4Å; V247-F284 HydrophobicContact CG2-CE1 3.92Å; V247-F284 HydrophobicContact CG2-CE2 4.34Å; V247-F284 HydrophobicContact CG2-CZ 3.9Å; V247-I316 HydrophobicContact CG1-CG2 4.27Å; V247-A317 HydrophobicContact CG1-CB 3.99Å; V247-T320 HydrophobicContact CG2-CG2 4.1Å
248E98Very high94.8Very high65 Ų6549.1 Ų49.130%0.30424%0.24SC..Hα-helixtrans-69.9-43.9175.1178.9175.5-178.400110.4I244 H245 A250 A251 L252 I313I244-E248 HydrophobicContact CG2-CB 3.75Å; I244-E248 HydrophobicContact CG2-CG 3.64Å; H245-E248 HydrophobicContact CB-CB 4.42Å; H245-E248 WeakPolarHBondContact O-CA 3.48Å; H245-E248 WeakPolarHBondContact O-CB 3.36Å; H245-E248 PolarHBondContact O-N 3.24Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 2.92Å; E248-A251 PolarHBondContact O-N 3.1Å; E248-L252 HydrophobicContact CG-CD1 4.01Å; E248-L252 HydrophobicContact CG-CG 4.27Å; E248-L252 WeakPolarHBondContact O-CB 3.36Å; E248-L252 VanDerWaalsContact O-CG 3.28Å; E248-L252 WeakPolarHBondContact O-CG 3.41Å; E248-L252 PolarHBondContact O-N 3.42Å; E248-I313 HydrophobicContact CB-CG2 4.19Å; E248-I313 HydrophobicContact CG-CD1 3.96Å; E248-I313 HydrophobicContact CG-CG1 4.38Å; E248-I313 HydrophobicContact CG-CG2 4.16Å
249L97.6Very high94.8Very high16 Ų1646.2 Ų46.28%0.08423%0.226CC..Hα-helixtrans-57.7-45.5175.9178.557.8000111.7W235 L236 T241 I244 H245 P246 A251 L252 L253 V278W235-L249 HydrophobicContact CH2-CD1 3.73Å; W235-L249 HydrophobicContact CZ2-CD1 4.24Å; W235-L249 HydrophobicContact CZ3-CD1 4.37Å; L236-L249 HydrophobicContact CD1-CD1 4.05Å; T241-L249 HydrophobicContact CG2-CD1 3.31Å; I244-L249 HydrophobicContact CB-CB 4.32Å; I244-L249 HydrophobicContact CG2-CB 4.07Å; H245-L249 PolarHBondContact O-N 2.91Å; P246-L249 PolarHBondContact O-N 2.98Å; L249-A251 PolarHBondContact O-N 3.43Å; L249-L252 PolarHBondContact O-N 3.46Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 PolarHBondContact O-N 3.21Å; L249-V278 HydrophobicContact CB-CG1 4.38Å; L249-V278 HydrophobicContact CD2-CG1 4.01Å; L249-V278 HydrophobicContact CG-CG1 4.02Å
250A98Very high94.9Very high0 Ų040.3 Ų40.30%019%0.194CC..Hα-helixtrans-61.8-42.5177.600000112.1P246 E248 H254 M275 V278 L279P246-A250 VanDerWaalsContact O-CB 3.31Å; P246-A250 WeakPolarHBondContact O-CB 3.44Å; P246-A250 PolarHBondContact O-N 2.86Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 2.92Å; A250-H254 WeakPolarHBondContact O-CB 3.35Å; A250-H254 PolarHBondContact O-N 3.08Å; A250-M275 HydrophobicContact CB-CG 3.83Å; A250-V278 HydrophobicContact CB-CB 4.16Å; A250-V278 HydrophobicContact CB-CG1 4.03Å; A250-L279 HydrophobicContact CB-CD1 4.19Å; A250-L279 HydrophobicContact CB-CD2 3.86Å; A250-L279 HydrophobicContact CB-CG 3.64Å
251A98.4Very high95.1Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-65.5-43.5175.300000112.1V247 E248 L249 H254 Y255 F312 I313 I316V247-A251 PolarHBondContact O-N 3.29Å; V247-A251 VanDerWaalsContact O-N 3.12Å; E248-A251 PolarHBondContact O-N 3.1Å; L249-A251 PolarHBondContact O-N 3.43Å; A251-H254 PolarHBondContact O-N 3.45Å; A251-Y255 WeakPolarHBondContact O-CB 3.47Å; A251-Y255 PolarHBondContact O-N 3.29Å; A251-F312 HydrophobicContact CB-CD1 4.26Å; A251-F312 HydrophobicContact CB-CE1 4.29Å; A251-F312 VanDerWaalsContact O-CE1 3.31Å; A251-F312 WeakPolarHBondContact O-CE1 3.25Å; A251-I313 HydrophobicContact CB-CB 4.39Å; A251-I313 HydrophobicContact CB-CG1 3.97Å; A251-I316 HydrophobicContact CB-CB 3.95Å; A251-I316 HydrophobicContact CB-CG1 3.81Å; A251-I316 HydrophobicContact CB-CG2 4.22Å
252L97.6Very high95.3Very high22 Ų2236.9 Ų36.912%0.11517%0.171CC..Hα-helixtrans-63.5-43.9176.8-70176.2000111.7W235 I244 E248 L249 Y255 K256 I309 I313W235-L252 HydrophobicContact CH2-CB 3.67Å; W235-L252 HydrophobicContact CZ2-CB 4Å; W235-L252 HydrophobicContact CZ2-CD1 4.16Å; I244-L252 HydrophobicContact CD1-CD1 3.99Å; I244-L252 HydrophobicContact CG2-CD1 4.34Å; E248-L252 HydrophobicContact CG-CD1 4.01Å; E248-L252 HydrophobicContact CG-CG 4.27Å; E248-L252 WeakPolarHBondContact O-CB 3.36Å; E248-L252 VanDerWaalsContact O-CG 3.28Å; E248-L252 WeakPolarHBondContact O-CG 3.41Å; E248-L252 PolarHBondContact O-N 3.42Å; L249-L252 PolarHBondContact O-N 3.46Å; L252-Y255 PolarHBondContact O-N 2.85Å; L252-K256 WeakPolarHBondContact O-CB 3.41Å; L252-K256 VanDerWaalsContact O-CG 3.27Å; L252-K256 WeakPolarHBondContact O-CG 3.37Å; L252-K256 PolarHBondContact O-N 3.11Å; L252-I309 HydrophobicContact CD2-CD1 3.61Å; L252-I309 HydrophobicContact CD2-CG1 4.26Å; L252-I309 HydrophobicContact CD2-CG2 4.21Å; L252-I313 HydrophobicContact CD2-CD1 4.17Å
253L97.3Very high95.9Very high1 Ų130.6 Ų30.61%0.00514%0.14CC..Hα-helixtrans-61.6-47.8176.5175.758.4000111.1L232 W235 L236 L249 Y255 F257 L274 V278L232-L253 HydrophobicContact CD1-CD1 3.98Å; L232-L253 HydrophobicContact CD2-CD1 4.14Å; L232-L253 HydrophobicContact CG-CD1 4.21Å; W235-L253 HydrophobicContact CZ3-CB 4.34Å; W235-L253 HydrophobicContact CZ3-CD1 4.47Å; L236-L253 HydrophobicContact CD1-CD2 4.32Å; L236-L253 HydrophobicContact CD2-CD1 4.32Å; L236-L253 HydrophobicContact CD2-CD2 4.26Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 PolarHBondContact O-N 3.21Å; L253-Y255 PolarHBondContact O-N 3.45Å; L253-F257 VanDerWaalsContact O-CB 3.24Å; L253-F257 WeakPolarHBondContact O-CB 3.43Å; L253-F257 PolarHBondContact O-N 2.89Å; L253-L274 HydrophobicContact CD2-CB 4.11Å; L253-L274 HydrophobicContact CG-CB 4.4Å; L253-V278 HydrophobicContact CD2-CG2 3.49Å; L253-V278 VanDerWaalsContact CD2-CG2 3.49Å
254H98.1Very high95.8Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-54.5-54.8175.3-175.6143.8000110.4A250 A251 F257 V258 R272 M275 Y297 F312A250-H254 WeakPolarHBondContact O-CB 3.35Å; A250-H254 PolarHBondContact O-N 3.08Å; A251-H254 PolarHBondContact O-N 3.45Å; H254-F257 PolarHBondContact O-N 3.3Å; H254-V258 WeakPolarHBondContact O-CG2 3.34Å; H254-V258 PolarHBondContact O-N 3.31Å; H254-R272 VanDerWaalsContact CE1-CG 3.47Å; H254-R272 WeakPolarHBondContact CE1-CG 3.5Å; H254-M275 HydrophobicContact CB-CB 4.16Å; H254-M275 HydrophobicContact CB-CG 4.47Å; H254-Y297 AromaticContact CE1-CE2 3.68Å; H254-Y297 AromaticContact CE1-CZ 3.99Å; H254-Y297 PolarHBondContact CE1-OH 3.38Å; H254-Y297 AromaticContact NE2-CE2 3.58Å; H254-Y297 AromaticContact NE2-CZ 3.64Å; H254-Y297 PolarHBondContact NE2-OH 3.33Å; H254-F312 HydrophobicContact CB-CE1 4.13Å; H254-F312 HydrophobicContact CB-CZ 4.31Å; H254-F312 AromaticContact CD2-CZ 3.72Å; H254-F312 AromaticContact CG-CZ 3.82Å; H254-F312 AromaticContact NE2-CZ 3.9Å
255Y96.8Very high95.7Very high34 Ų3425.3 Ų25.313%0.13313%0.132CC..Hα-helixtrans-58.5-53.5-177.4174.2-96.1000111.7A251 L252 L253 F257 V258 V259 L301 G304 N305 I309A251-Y255 WeakPolarHBondContact O-CB 3.47Å; A251-Y255 PolarHBondContact O-N 3.29Å; L252-Y255 PolarHBondContact O-N 2.85Å; L253-Y255 PolarHBondContact O-N 3.45Å; Y255-F257 VanDerWaalsContact C-N 3.26Å; Y255-F257 PolarHBondContact O-N 3.07Å; Y255-V258 PolarHBondContact O-N 2.89Å; Y255-V258 VanDerWaalsContact O-N 3.15Å; Y255-V259 HydrophobicContact CD1-CG2 4.1Å; Y255-V259 HydrophobicContact CD2-CG2 4.3Å; Y255-V259 HydrophobicContact CE1-CG2 3.66Å; Y255-V259 HydrophobicContact CE2-CG2 3.83Å; Y255-V259 HydrophobicContact CG-CG2 4.41Å; Y255-V259 VanDerWaalsContact CZ-CG2 3.48Å; Y255-V259 WeakPolarHBondContact O-CG2 3.44Å; Y255-V259 PolarHBondContact O-N 3.47Å; Y255-L301 HydrophobicContact CD2-CD2 3.81Å; Y255-G304 PolarHBondContact OH-O 3.02Å; Y255-N305 VanDerWaalsContact CE2-OD1 3.24Å; Y255-N305 WeakPolarHBondContact CE2-OD1 3.3Å; Y255-N305 VanDerWaalsContact OH-CA 3.28Å; Y255-N305 WeakPolarHBondContact OH-CA 3.35Å; Y255-N305 PolarHBondContact OH-N 2.92Å; Y255-N305 PolarHBondContact OH-OD1 3.46Å; Y255-I309 HydrophobicContact CD1-CD1 3.2Å; Y255-I309 HydrophobicContact CD1-CG1 4.43Å; Y255-I309 HydrophobicContact CD2-CD1 4Å; Y255-I309 HydrophobicContact CE1-CD1 3.8Å; Y255-I309 HydrophobicContact CG-CD1 3.31Å; Y255-I309 HydrophobicContact CG-CG1 4.24Å
256K95.3Very high95.7Very high77 Ų7723.8 Ų23.834%0.33513%0.125SC..Hα-helixtrans-58.7-39.6-179-72174175.1-69.60111.7L232 W235 L252 V259 I260L232-K256 HydrophobicContact CD1-CB 3.58Å; L232-K256 HydrophobicContact CD1-CD 4.07Å; L232-K256 HydrophobicContact CD1-CG 4.48Å; W235-K256 HydrophobicContact CD2-CD 3.91Å; W235-K256 HydrophobicContact CE3-CD 3.73Å; W235-K256 HydrophobicContact CH2-CD 3.89Å; W235-K256 HydrophobicContact CZ2-CD 4.07Å; W235-K256 HydrophobicContact CZ3-CD 3.72Å; L252-K256 WeakPolarHBondContact O-CB 3.41Å; L252-K256 VanDerWaalsContact O-CG 3.27Å; L252-K256 WeakPolarHBondContact O-CG 3.37Å; L252-K256 PolarHBondContact O-N 3.11Å; K256-V259 PolarHBondContact O-N 2.73Å; K256-I260 WeakPolarHBondContact O-CG1 3.43Å; K256-I260 PolarHBondContact O-N 2.99Å
257F96.2Very high95.6Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-66.1-43177.3-177.1-90.1000112.5I194 M229 L232 L253 H254 Y255 V259 I260 H261 P262 F263 N267 T270 A271 L274I194-F257 HydrophobicContact CG2-CE2 3.63Å; I194-F257 HydrophobicContact CG2-CZ 4.21Å; M229-F257 HydrophobicContact CE-CD2 4.27Å; M229-F257 HydrophobicContact CE-CE2 4.06Å; M229-F257 HydrophobicContact SD-CD2 4.12Å; M229-F257 HydrophobicContact SD-CE2 3.99Å; L232-F257 HydrophobicContact CD2-CB 4.14Å; L232-F257 HydrophobicContact CD2-CD2 3.91Å; L253-F257 VanDerWaalsContact O-CB 3.24Å; L253-F257 WeakPolarHBondContact O-CB 3.43Å; L253-F257 PolarHBondContact O-N 2.89Å; H254-F257 PolarHBondContact O-N 3.3Å; Y255-F257 VanDerWaalsContact C-N 3.26Å; Y255-F257 PolarHBondContact O-N 3.07Å; F257-V259 VanDerWaalsContact C-N 3.31Å; F257-V259 PolarHBondContact O-N 2.7Å; F257-I260 PolarHBondContact O-N 3.1Å; F257-H261 PolarHBondContact O-N 3.11Å; F257-P262 HydrophobicContact CD2-CG 4.38Å; F257-P262 HydrophobicContact CE1-CG 4.41Å; F257-P262 HydrophobicContact CE2-CG 3.55Å; F257-P262 HydrophobicContact CZ-CG 3.57Å; F257-F263 HydrophobicContact CE2-CE2 4.28Å; F257-F263 AromaticContact CZ-CD2 3.96Å; F257-F263 HydrophobicContact CZ-CD2 3.96Å; F257-F263 AromaticContact CZ-CE2 3.65Å; F257-F263 HydrophobicContact CZ-CE2 3.65Å; F257-N267 HydrophobicContact CE1-CB 4.49Å; F257-N267 WeakPolarHBondContact CE1-O 3.37Å; F257-T270 HydrophobicContact CE1-CG2 3.93Å; F257-T270 HydrophobicContact CE2-CG2 4.47Å; F257-T270 HydrophobicContact CZ-CG2 3.69Å; F257-A271 HydrophobicContact CD1-CB 3.7Å; F257-A271 HydrophobicContact CE1-CB 4.37Å; F257-L274 HydrophobicContact CB-CD1 4.44Å; F257-L274 HydrophobicContact CD1-CD1 4.29Å; F257-L274 HydrophobicContact CD2-CD1 3.62Å; F257-L274 HydrophobicContact CE2-CD1 3.91Å; F257-L274 HydrophobicContact CG-CD1 3.83Å; F257-L274 HydrophobicContact CZ-CD1 4.35Å
258V94.1Very high95.6Very high23 Ų2322.6 Ų22.614%0.13912%0.12CC..Hα-helixtrans-64.2-37.3176.4171.60000111.6H254 Y255 H261 A271H254-V258 WeakPolarHBondContact O-CG2 3.34Å; H254-V258 PolarHBondContact O-N 3.31Å; Y255-V258 PolarHBondContact O-N 2.89Å; Y255-V258 VanDerWaalsContact O-N 3.15Å; V258-H261 WeakPolarHBondContact O-CB 3.48Å; V258-H261 PolarHBondContact O-N 3.4Å; V258-H261 PolarHBondContact O-ND1 3.32Å; V258-A271 HydrophobicContact CG2-CB 3.48Å; V258-A271 VanDerWaalsContact CG2-CB 3.48Å
259V91.6Very high95.6Very high26 Ų2619.7 Ų19.716%0.15811%0.106CC..Hα-helixtrans-65.4-41174.5166.80000111.5F223 P225 Y255 K256 F257 H261F223-V259 HydrophobicContact CE1-CB 4.38Å; F223-V259 HydrophobicContact CE1-CG1 4.01Å; F223-V259 VanDerWaalsContact CE1-O 3.23Å; F223-V259 WeakPolarHBondContact CE1-O 3.39Å; F223-V259 HydrophobicContact CE2-CG1 4.48Å; F223-V259 HydrophobicContact CZ-CB 4.34Å; F223-V259 HydrophobicContact CZ-CG1 3.57Å; P225-V259 WeakPolarHBondContact CA-O 3.4Å; P225-V259 WeakPolarHBondContact CB-O 3.34Å; Y255-V259 HydrophobicContact CD1-CG2 4.1Å; Y255-V259 HydrophobicContact CD2-CG2 4.3Å; Y255-V259 HydrophobicContact CE1-CG2 3.66Å; Y255-V259 HydrophobicContact CE2-CG2 3.83Å; Y255-V259 HydrophobicContact CG-CG2 4.41Å; Y255-V259 VanDerWaalsContact CZ-CG2 3.48Å; Y255-V259 WeakPolarHBondContact O-CG2 3.44Å; Y255-V259 PolarHBondContact O-N 3.47Å; K256-V259 PolarHBondContact O-N 2.73Å; F257-V259 VanDerWaalsContact C-N 3.31Å; F257-V259 PolarHBondContact O-N 2.7Å; V259-H261 VanDerWaalsContact C-N 3.3Å; V259-H261 PolarHBondContact O-N 2.79Å
260I92.3Very high95.6Very high12 Ų1218.9 Ų18.96%0.06210%0.102CC..Hα-helixtrans-66.7-37.1175.9-72.7164.6000111.2P225 T226 M229 L232 K256 F257 P262P225-I260 WeakPolarHBondContact CB-O 3.44Å; T226-I260 VanDerWaalsContact O-CA 3.32Å; T226-I260 WeakPolarHBondContact O-CA 3.47Å; T226-I260 WeakPolarHBondContact O-CG2 3.35Å; M229-I260 HydrophobicContact CG-CG2 4.07Å; M229-I260 HydrophobicContact SD-CG2 3.83Å; L232-I260 HydrophobicContact CB-CD1 3.67Å; L232-I260 HydrophobicContact CD1-CD1 4.39Å; L232-I260 HydrophobicContact CD2-CD1 4.03Å; L232-I260 HydrophobicContact CG-CD1 4.24Å; K256-I260 WeakPolarHBondContact O-CG1 3.43Å; K256-I260 PolarHBondContact O-N 2.99Å; F257-I260 PolarHBondContact O-N 3.1Å; I260-P262 HydrophobicContact CG2-CB 3.97Å; I260-P262 HydrophobicContact CG2-CG 4.28Å
261H92.8Very high95.6Very high28 Ų2818.9 Ų18.913%0.1310%0.102CC..  trans45.959.3-179.8-144.991.2000112.6R214 V220 P225 F257 V258 V259 F263 N267R214-H261 VanDerWaalsContact CD-O 3.31Å; R214-H261 WeakPolarHBondContact CD-O 3.26Å; R214-H261 PolarHBondContact NE-O 3.3Å; V220-H261 HydrophobicContact CG2-CB 4.42Å; V220-H261 WeakPolarHBondContact CG2-CE1 3.4Å; V220-H261 WeakPolarHBondContact CG2-ND1 3.49Å; P225-H261 HydrophobicContact CB-CB 3.42Å; P225-H261 VanDerWaalsContact CB-CB 3.42Å; P225-H261 HydrophobicContact CG-CB 3.48Å; P225-H261 VanDerWaalsContact CG-CB 3.48Å; F257-H261 PolarHBondContact O-N 3.11Å; V258-H261 WeakPolarHBondContact O-CB 3.48Å; V258-H261 PolarHBondContact O-N 3.4Å; V258-H261 PolarHBondContact O-ND1 3.32Å; V259-H261 VanDerWaalsContact C-N 3.3Å; V259-H261 PolarHBondContact O-N 2.79Å; H261-F263 VanDerWaalsContact C-N 3.29Å; H261-F263 PolarHBondContact O-N 2.61Å; H261-N267 PolarHBondContact CD2-ND2 3.03Å; H261-N267 PolarHBondContact NE2-ND2 3.16Å
262P94.1Very high95.6Very high1 Ų119.1 Ų19.11%0.00610%0.103CC..  trans-74.4-15-164.931.5-38.5000114.4F213 R214 M229 F257 I260 N267F213-P262 CarbonylContact C-O 3.36Å; F213-P262 VanDerWaalsContact CA-O 3.31Å; F213-P262 WeakPolarHBondContact CA-O 3.18Å; F213-P262 HydrophobicContact CD1-CB 3.72Å; F213-P262 HydrophobicContact CE1-CB 3.92Å; R214-P262 WeakPolarHBondContact CG-O 3.49Å; R214-P262 PolarHBondContact N-O 2.69Å; M229-P262 HydrophobicContact CG-CB 3.74Å; M229-P262 HydrophobicContact CG-CG 4.29Å; M229-P262 HydrophobicContact SD-CB 3.84Å; M229-P262 HydrophobicContact SD-CG 3.7Å; F257-P262 HydrophobicContact CD2-CG 4.38Å; F257-P262 HydrophobicContact CE1-CG 4.41Å; F257-P262 HydrophobicContact CE2-CG 3.55Å; F257-P262 HydrophobicContact CZ-CG 3.57Å; I260-P262 HydrophobicContact CG2-CB 3.97Å; I260-P262 HydrophobicContact CG2-CG 4.28Å; P262-N267 WeakPolarHBondContact CD-OD1 3.45Å
263F94.6Very high95.6Very high0 Ų018.1 Ų18.10%010%0.098CC..SBendtrans-110.6164.4-176.7-54.7-58.1000112I194 L195 H198 H212 F213 F257 H261 D265 N267 T270I194-F263 HydrophobicContact CG2-CE2 4.25Å; I194-F263 HydrophobicContact CG2-CZ 4.2Å; L195-F263 HydrophobicContact CD2-CE1 3.68Å; L195-F263 HydrophobicContact CD2-CZ 3.93Å; H198-F263 HydrophobicContact CB-CD2 3.99Å; H198-F263 HydrophobicContact CB-CE1 4.18Å; H198-F263 HydrophobicContact CB-CE2 3.4Å; H198-F263 HydrophobicContact CB-CZ 3.53Å; H198-F263 AromaticContact CD2-CD2 3.3Å; H198-F263 WeakPolarHBondContact CD2-CD2 3.33Å; H198-F263 AromaticContact CD2-CE2 3.69Å; H198-F263 AromaticContact CD2-CG 3.62Å; H198-F263 AromaticContact CE1-CD1 3.56Å; H198-F263 AromaticContact CE1-CD2 3.93Å; H198-F263 AromaticContact CE1-CG 3.41Å; H198-F263 VanDerWaalsContact CE1-CG 3.41Å; H198-F263 WeakPolarHBondContact CE1-CG 3.48Å; H198-F263 AromaticContact CG-CD1 3.87Å; H198-F263 AromaticContact CG-CD2 3.39Å; H198-F263 AromaticContact CG-CE1 3.85Å; H198-F263 AromaticContact CG-CE2 3.33Å; H198-F263 AromaticContact CG-CG 3.65Å; H198-F263 AromaticContact CG-CZ 3.59Å; H198-F263 AromaticContact ND1-CD1 3.36Å; H198-F263 WeakPolarHBondContact ND1-CD1 3.42Å; H198-F263 AromaticContact ND1-CD2 3.76Å; H198-F263 AromaticContact ND1-CE1 3.51Å; H198-F263 AromaticContact ND1-CE2 3.87Å; H198-F263 AromaticContact ND1-CG 3.5Å; H198-F263 WeakPolarHBondContact ND1-CG 3.4Å; H198-F263 AromaticContact ND1-CZ 3.77Å; H198-F263 WeakPolarHBondContact NE2-CB 3.26Å; H198-F263 AromaticContact NE2-CD2 3.69Å; H198-F263 AromaticContact NE2-CG 3.49Å; H198-F263 WeakPolarHBondContact NE2-CG 3.32Å; H212-F263 WeakPolarHBondContact O-CD1 3.48Å; F213-F263 HydrophobicContact CD1-CD1 4.04Å; F213-F263 AromaticContact CD1-CE1 3.55Å; F213-F263 HydrophobicContact CD1-CE1 3.55Å; F213-F263 HydrophobicContact CD1-CZ 4.25Å; F213-F263 AromaticContact CE1-CE1 3.8Å; F213-F263 HydrophobicContact CE1-CE1 3.8Å; F213-F263 HydrophobicContact CE1-CZ 4.06Å; F257-F263 HydrophobicContact CE2-CE2 4.28Å; F257-F263 AromaticContact CZ-CD2 3.96Å; F257-F263 HydrophobicContact CZ-CD2 3.96Å; F257-F263 AromaticContact CZ-CE2 3.65Å; F257-F263 HydrophobicContact CZ-CE2 3.65Å; H261-F263 VanDerWaalsContact C-N 3.29Å; H261-F263 PolarHBondContact O-N 2.61Å; F263-D265 WeakPolarHBondContact CB-O 3.47Å; F263-N267 WeakPolarHBondContact CB-OD1 3.46Å; F263-N267 PolarHBondContact N-OD1 3.41Å; F263-N267 PolarHBondContact O-ND2 3.26Å; F263-T270 HydrophobicContact CE2-CG2 4.36Å
264V91.3Very high95.6Very high92 Ų9218.1 Ų18.156%0.55810%0.098SC*.SBendtrans-67.2-38.9176.8175.60000111.3R214R214-V264 HydrophobicContact CB-CG2 3.89Å
265D93.7Very high95.6Very high60 Ų6018.2 Ų18.232%0.32110%0.098SC..SBendtrans-153.1175.8176.3-173.50.1000107.1H198 Y202 F263 N267 R269H198-D265 PolarHBondContact NE2-O 3.15Å; Y202-D265 HydrophobicContact CE1-CB 4.14Å; Y202-D265 HydrophobicContact CE2-CB 3.76Å; Y202-D265 VanDerWaalsContact CE2-OD2 3.29Å; Y202-D265 WeakPolarHBondContact CE2-OD2 3.31Å; Y202-D265 WeakPolarHBondContact OH-CB 3.46Å; Y202-D265 PolarHBondContact OH-OD2 3.15Å; Y202-D265 VanDerWaalsContact OH-OD2 3.13Å; F263-D265 WeakPolarHBondContact CB-O 3.47Å; D265-N267 VanDerWaalsContact C-N 3.26Å; D265-N267 PolarHBondContact O-N 3.34Å; D265-R269 IonicContact OD1-NH2 3.7Å; D265-R269 PolarHBondContact OD1-NH2 3.39Å; D265-R269 IonicContact OD2-NH2 2.97Å
266G96.1Very high95.7Very high1 Ų116.6 Ų16.61%0.019%0.092CC..  trans82.7-0.6-179.300000113.8R269 T270G266-R269 PolarHBondContact O-N 2.86Å; G266-T270 VanDerWaalsContact O-CB 3.29Å; G266-T270 WeakPolarHBondContact O-CB 3.46Å; G266-T270 PolarHBondContact O-N 3.05Å; G266-T270 PolarHBondContact O-OG1 3.4Å
267N96.2Very high95.8Very high3 Ų313 Ų132%0.0168%0.076CC..Hα-helixtrans-60.7-50.8-178.1-63.6-73.4000112.4F257 H261 P262 F263 D265 R269 T270 A271F257-N267 HydrophobicContact CE1-CB 4.49Å; F257-N267 WeakPolarHBondContact CE1-O 3.37Å; H261-N267 PolarHBondContact CD2-ND2 3.03Å; H261-N267 PolarHBondContact NE2-ND2 3.16Å; P262-N267 WeakPolarHBondContact CD-OD1 3.45Å; F263-N267 WeakPolarHBondContact CB-OD1 3.46Å; F263-N267 PolarHBondContact N-OD1 3.41Å; F263-N267 PolarHBondContact O-ND2 3.26Å; D265-N267 VanDerWaalsContact C-N 3.26Å; D265-N267 PolarHBondContact O-N 3.34Å; N267-R269 PolarHBondContact O-N 3.28Å; N267-T270 PolarHBondContact O-N 3.04Å; N267-A271 WeakPolarHBondContact O-CB 3.47Å; N267-A271 PolarHBondContact O-N 3.48Å
268G97Very high95.7Very high14 Ų1413.7 Ų13.714%0.1448%0.081CC..Hα-helixtrans-61.6-44.1179.900000113A271 R272G268-A271 WeakPolarHBondContact O-CB 3.17Å; G268-A271 PolarHBondContact O-N 2.85Å; G268-R272 VanDerWaalsContact C-CZ 3.48Å; G268-R272 VanDerWaalsContact C-NH1 3.31Å; G268-R272 WeakPolarHBondContact O-CG 3.06Å; G268-R272 VanDerWaalsContact O-CZ 3.31Å; G268-R272 PolarHBondContact O-N 3.43Å; G268-R272 VanDerWaalsContact O-N 3.08Å; G268-R272 PolarHBondContact O-NH1 2.92Å
269R98Very high95.9Very high3 Ų312.6 Ų12.61%0.0117%0.074CC..Hα-helixtrans-62.3-44.9176.4-75.9169.6-77.2-162.5-5.1112E138 E167 M171 V201 D265 G266 N267 R272 L273E138-R269 HydrophobicContact CG-CG 3.93Å; E167-R269 IonicContact OE1-CZ 3.97Å; E167-R269 IonicContact OE1-NH1 3.97Å; E167-R269 PolarHBondContact OE1-NH1 3.47Å; E167-R269 IonicContact OE1-NH2 2.83Å; E167-R269 IonicContact OE2-NH1 2.95Å; M171-R269 HydrophobicContact SD-CB 3.75Å; M171-R269 HydrophobicContact SD-CG 3.91Å; V201-R269 HydrophobicContact CG1-CB 3.68Å; D265-R269 IonicContact OD1-NH2 3.7Å; D265-R269 PolarHBondContact OD1-NH2 3.39Å; D265-R269 IonicContact OD2-NH2 2.97Å; G266-R269 PolarHBondContact O-N 2.86Å; N267-R269 PolarHBondContact O-N 3.28Å; R269-R272 PolarHBondContact O-N 3.49Å; R269-L273 PolarHBondContact O-N 3.12Å; R269-L273 VanDerWaalsContact O-N 3.15Å
270T98.3Very high96.1Very high0 Ų011.5 Ų11.50%07%0.067CC..Hα-helixtrans-65.4-43.5176.9-55.70000111I194 I197 H198 F257 F263 G266 N267 R272 L273 L274I194-T270 HydrophobicContact CG2-CG2 4.43Å; I197-T270 HydrophobicContact CG2-CG2 4.04Å; H198-T270 HydrophobicContact CB-CG2 4.43Å; F257-T270 HydrophobicContact CE1-CG2 3.93Å; F257-T270 HydrophobicContact CE2-CG2 4.47Å; F257-T270 HydrophobicContact CZ-CG2 3.69Å; F263-T270 HydrophobicContact CE2-CG2 4.36Å; G266-T270 VanDerWaalsContact O-CB 3.29Å; G266-T270 WeakPolarHBondContact O-CB 3.46Å; G266-T270 PolarHBondContact O-N 3.05Å; G266-T270 PolarHBondContact O-OG1 3.4Å; N267-T270 PolarHBondContact O-N 3.04Å; T270-R272 VanDerWaalsContact C-N 3.32Å; T270-R272 PolarHBondContact O-N 3.23Å; T270-L273 PolarHBondContact O-N 3.45Å; T270-L273 VanDerWaalsContact O-N 3.08Å; T270-L274 HydrophobicContact CG2-CD1 4.23Å; T270-L274 HydrophobicContact CG2-CG 4.34Å; T270-L274 WeakPolarHBondContact O-CG 3.26Å; T270-L274 PolarHBondContact O-N 2.89Å
271A98.1Very high96.2Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-56.3-45.5176.600000112.2F257 V258 N267 G268 L273 L274 M275F257-A271 HydrophobicContact CD1-CB 3.7Å; F257-A271 HydrophobicContact CE1-CB 4.37Å; V258-A271 HydrophobicContact CG2-CB 3.48Å; V258-A271 VanDerWaalsContact CG2-CB 3.48Å; N267-A271 WeakPolarHBondContact O-CB 3.47Å; N267-A271 PolarHBondContact O-N 3.48Å; G268-A271 WeakPolarHBondContact O-CB 3.17Å; G268-A271 PolarHBondContact O-N 2.85Å; A271-L273 VanDerWaalsContact C-N 3.31Å; A271-L273 PolarHBondContact O-N 3.23Å; A271-L274 PolarHBondContact O-N 2.87Å; A271-M275 WeakPolarHBondContact O-CB 3.28Å; A271-M275 PolarHBondContact O-N 3.28Å
272R98.4Very high96.3Very high5 Ų515.2 Ų15.22%0.0199%0.089CC..Hα-helixtrans-66.4-30.8177.5-72.5-175.3-62.7-873.1113T134 E138 H254 G268 R269 T270 N276 I289T134-R272 PolarHBondContact O-NH2 3.39Å; T134-R272 PolarHBondContact OG1-NE 3.4Å; T134-R272 PolarHBondContact OG1-NH2 2.89Å; E138-R272 IonicContact OE1-CZ 3.66Å; E138-R272 IonicContact OE1-NH1 3.82Å; E138-R272 PolarHBondContact OE1-NH1 3.04Å; E138-R272 IonicContact OE1-NH2 3.14Å; E138-R272 PolarHBondContact OE1-NH2 3.2Å; H254-R272 VanDerWaalsContact CE1-CG 3.47Å; H254-R272 WeakPolarHBondContact CE1-CG 3.5Å; G268-R272 VanDerWaalsContact C-CZ 3.48Å; G268-R272 VanDerWaalsContact C-NH1 3.31Å; G268-R272 WeakPolarHBondContact O-CG 3.06Å; G268-R272 VanDerWaalsContact O-CZ 3.31Å; G268-R272 PolarHBondContact O-N 3.43Å; G268-R272 VanDerWaalsContact O-N 3.08Å; G268-R272 PolarHBondContact O-NH1 2.92Å; R269-R272 PolarHBondContact O-N 3.49Å; T270-R272 VanDerWaalsContact C-N 3.32Å; T270-R272 PolarHBondContact O-N 3.23Å; R272-N276 WeakPolarHBondContact O-CB 3.4Å; R272-N276 PolarHBondContact O-N 3.11Å; R272-N276 PolarHBondContact O-ND2 2.94Å; R272-I289 HydrophobicContact CG-CD1 4.16Å
273L98Very high96.3Very high1 Ų115.5 Ų15.51%0.0059%0.093CC..Hα-helixtrans-73-40.8172.1-73.5175.3000111.9M171 A174 L175 I197 V201 R269 T270 A271 N276 L277M171-L273 HydrophobicContact CE-CD1 3.7Å; M171-L273 HydrophobicContact CE-CD2 3.89Å; M171-L273 HydrophobicContact CE-CG 3.81Å; M171-L273 HydrophobicContact SD-CD1 4.44Å; A174-L273 HydrophobicContact CB-CD1 3.57Å; L175-L273 HydrophobicContact CB-CD2 4.44Å; L175-L273 HydrophobicContact CD1-CD2 3.99Å; I197-L273 HydrophobicContact CG2-CB 4.17Å; I197-L273 HydrophobicContact CG2-CD1 3.73Å; V201-L273 HydrophobicContact CG2-CD1 3.55Å; R269-L273 PolarHBondContact O-N 3.12Å; R269-L273 VanDerWaalsContact O-N 3.15Å; T270-L273 PolarHBondContact O-N 3.45Å; T270-L273 VanDerWaalsContact O-N 3.08Å; A271-L273 VanDerWaalsContact C-N 3.31Å; A271-L273 PolarHBondContact O-N 3.23Å; L273-N276 PolarHBondContact O-N 3.09Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 PolarHBondContact O-N 3.37Å
274L97.7Very high96.4Very high1 Ų115.5 Ų15.51%0.0059%0.093CC..Hα-helixtrans-63.6-43.1175.8-66.8176.5000112L189 I194 I197 L253 F257 T270 A271 N276 L277 V278L189-L274 HydrophobicContact CD2-CD2 4.07Å; I194-L274 HydrophobicContact CD1-CD1 4.2Å; I194-L274 HydrophobicContact CD1-CD2 4.48Å; I194-L274 HydrophobicContact CG1-CD1 4.34Å; I194-L274 HydrophobicContact CG1-CD2 3.97Å; I194-L274 HydrophobicContact CG2-CD1 4.35Å; I197-L274 HydrophobicContact CD1-CD2 3.64Å; L253-L274 HydrophobicContact CD2-CB 4.11Å; L253-L274 HydrophobicContact CG-CB 4.4Å; F257-L274 HydrophobicContact CB-CD1 4.44Å; F257-L274 HydrophobicContact CD1-CD1 4.29Å; F257-L274 HydrophobicContact CD2-CD1 3.62Å; F257-L274 HydrophobicContact CE2-CD1 3.91Å; F257-L274 HydrophobicContact CG-CD1 3.83Å; F257-L274 HydrophobicContact CZ-CD1 4.35Å; T270-L274 HydrophobicContact CG2-CD1 4.23Å; T270-L274 HydrophobicContact CG2-CG 4.34Å; T270-L274 WeakPolarHBondContact O-CG 3.26Å; T270-L274 PolarHBondContact O-N 2.89Å; A271-L274 PolarHBondContact O-N 2.87Å; L274-N276 VanDerWaalsContact C-N 3.3Å; L274-N276 PolarHBondContact O-N 3.34Å; L274-L277 PolarHBondContact O-N 3.31Å; L274-V278 PolarHBondContact O-N 3.49Å; L274-V278 VanDerWaalsContact O-N 3.16Å
275M98.1Very high96.6Very high1 Ų111.1 Ų11.11%0.0057%0.066CC..Hα-helixtrans-53.3-50.3171.2-176.6-168.670.700110.9A250 H254 A271 V278 L279 V287 I289 I316A250-M275 HydrophobicContact CB-CG 3.83Å; H254-M275 HydrophobicContact CB-CB 4.16Å; H254-M275 HydrophobicContact CB-CG 4.47Å; A271-M275 WeakPolarHBondContact O-CB 3.28Å; A271-M275 PolarHBondContact O-N 3.28Å; M275-V278 PolarHBondContact O-N 3.03Å; M275-L279 HydrophobicContact CG-CD1 4.08Å; M275-L279 WeakPolarHBondContact O-CG 3.32Å; M275-L279 PolarHBondContact O-N 3.49Å; M275-L279 VanDerWaalsContact O-N 3.09Å; M275-V287 HydrophobicContact CE-CB 4.26Å; M275-V287 HydrophobicContact CE-CG1 4.42Å; M275-I289 HydrophobicContact CE-CD1 4.28Å; M275-I289 HydrophobicContact CE-CG1 4.41Å; M275-I289 HydrophobicContact SD-CD1 4.38Å; M275-I316 HydrophobicContact SD-CD1 3.6Å; M275-I316 HydrophobicContact SD-CG1 4.18Å; M275-I316 HydrophobicContact SD-CG2 3.93Å
276N97.9Very high96.7Very high1 Ų18.3 Ų8.31%0.0055%0.051CC..Hα-helixtrans-69.3-32.9-179-79.7-45.5000113.4H130 R272 L273 L274 L279 M280 P286 V287H130-N276 PolarHBondContact NE2-ND2 3.36Å; R272-N276 WeakPolarHBondContact O-CB 3.4Å; R272-N276 PolarHBondContact O-N 3.11Å; R272-N276 PolarHBondContact O-ND2 2.94Å; L273-N276 PolarHBondContact O-N 3.09Å; L274-N276 VanDerWaalsContact C-N 3.3Å; L274-N276 PolarHBondContact O-N 3.34Å; N276-L279 PolarHBondContact O-N 2.94Å; N276-M280 VanDerWaalsContact O-CB 3.27Å; N276-M280 WeakPolarHBondContact O-CB 3.47Å; N276-M280 WeakPolarHBondContact O-CG 3.16Å; N276-M280 PolarHBondContact O-N 2.71Å; N276-P286 HydrophobicContact CB-CB 4.27Å; N276-P286 WeakPolarHBondContact OD1-CA 3.26Å; N276-V287 PolarHBondContact ND2-O 3.05Å; N276-V287 VanDerWaalsContact ND2-O 3.16Å; N276-V287 PolarHBondContact OD1-N 2.86Å; N276-V287 PolarHBondContact OD1-O 3.47Å
277L96.9Very high96.7Very high1 Ų18.4 Ų8.41%0.0055%0.051CC..Hα-helixtrans-59-49.2173.2173.959000111V178 L182 V183 L189 L273 L274 L279 M280 Q281V178-L277 HydrophobicContact CG1-CB 4.26Å; V178-L277 HydrophobicContact CG1-CD1 4.15Å; L182-L277 HydrophobicContact CB-CD1 3.64Å; L182-L277 HydrophobicContact CB-CD2 4.14Å; L182-L277 HydrophobicContact CD1-CD2 3.97Å; V183-L277 HydrophobicContact CG2-CD1 4.06Å; L189-L277 HydrophobicContact CD1-CD2 3.74Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 PolarHBondContact O-N 3.37Å; L274-L277 PolarHBondContact O-N 3.31Å; L277-L279 PolarHBondContact O-N 3.27Å; L277-M280 PolarHBondContact O-N 2.87Å; L277-Q281 HydrophobicContact CD1-CG 4.02Å; L277-Q281 WeakPolarHBondContact O-CB 3.43Å; L277-Q281 WeakPolarHBondContact O-CG 3.17Å; L277-Q281 PolarHBondContact O-N 2.97Å
278V95.6Very high96.8Very high15 Ų158.6 Ų8.69%0.0915%0.052CC..Hα-helixtrans-61.1-45.2177.7171.70000111.3L249 A250 L253 L274 M275 Q281 A282L249-V278 HydrophobicContact CB-CG1 4.38Å; L249-V278 HydrophobicContact CD2-CG1 4.01Å; L249-V278 HydrophobicContact CG-CG1 4.02Å; A250-V278 HydrophobicContact CB-CB 4.16Å; A250-V278 HydrophobicContact CB-CG1 4.03Å; L253-V278 HydrophobicContact CD2-CG2 3.49Å; L253-V278 VanDerWaalsContact CD2-CG2 3.49Å; L274-V278 PolarHBondContact O-N 3.49Å; L274-V278 VanDerWaalsContact O-N 3.16Å; M275-V278 PolarHBondContact O-N 3.03Å; V278-Q281 PolarHBondContact O-N 3.33Å; V278-A282 WeakPolarHBondContact O-CB 3.39Å; V278-A282 PolarHBondContact O-N 3.46Å; V278-A282 VanDerWaalsContact O-N 3.07Å
279L97.1Very high96.9Very high0 Ų08.2 Ų8.20%05%0.047CC..Hα-helixtrans-61.7-46.3178.6-71.8171.6000111.8V247 A250 M275 N276 L277 A282 G283 F284 V287V247-L279 HydrophobicContact CB-CD2 4.39Å; V247-L279 HydrophobicContact CG2-CD2 3.88Å; A250-L279 HydrophobicContact CB-CD1 4.19Å; A250-L279 HydrophobicContact CB-CD2 3.86Å; A250-L279 HydrophobicContact CB-CG 3.64Å; M275-L279 HydrophobicContact CG-CD1 4.08Å; M275-L279 WeakPolarHBondContact O-CG 3.32Å; M275-L279 PolarHBondContact O-N 3.49Å; M275-L279 VanDerWaalsContact O-N 3.09Å; N276-L279 PolarHBondContact O-N 2.94Å; L277-L279 PolarHBondContact O-N 3.27Å; L279-A282 CarbonylContact O-C 3.41Å; L279-A282 WeakPolarHBondContact O-CA 3.28Å; L279-A282 PolarHBondContact O-N 3.07Å; L279-A282 VanDerWaalsContact O-N 3.12Å; L279-G283 PolarHBondContact O-N 2.98Å; L279-F284 HydrophobicContact CB-CB 4.04Å; L279-F284 HydrophobicContact CD2-CB 4.39Å; L279-F284 HydrophobicContact CD2-CD2 4.41Å; L279-F284 HydrophobicContact CD2-CG 4.33Å; L279-F284 WeakPolarHBondContact O-CB 3.35Å; L279-F284 PolarHBondContact O-N 3.13Å; L279-V287 HydrophobicContact CD1-CB 3.92Å; L279-V287 HydrophobicContact CD1-CG2 3.58Å
280M96.2Very high96.9Very high2 Ų212.4 Ų12.41%0.016%0.063CC..Hα-helixtrans-68-38.9-179.7-69.4175.269.300112.7N179 V183 N276 L277 A282 G283 F284 P286 I355 L356N179-M280 WeakPolarHBondContact OD1-CE 3.33Å; V183-M280 HydrophobicContact CG1-CB 3.93Å; V183-M280 HydrophobicContact CG1-CE 4.2Å; V183-M280 HydrophobicContact CG2-CB 4.02Å; V183-M280 HydrophobicContact CG2-CE 3.69Å; V183-M280 HydrophobicContact CG2-SD 4.13Å; N276-M280 VanDerWaalsContact O-CB 3.27Å; N276-M280 WeakPolarHBondContact O-CB 3.47Å; N276-M280 WeakPolarHBondContact O-CG 3.16Å; N276-M280 PolarHBondContact O-N 2.71Å; L277-M280 PolarHBondContact O-N 2.87Å; M280-A282 PolarHBondContact O-N 3.34Å; M280-G283 PolarHBondContact O-N 3.23Å; M280-F284 WeakPolarHBondContact CA-O 3.47Å; M280-P286 HydrophobicContact CG-CB 4.28Å; M280-P286 HydrophobicContact SD-CB 3.85Å; M280-P286 HydrophobicContact SD-CG 4.21Å; M280-I355 HydrophobicContact CE-CG2 3.65Å; M280-L356 WeakPolarHBondContact CE-O 3.17Å
281Q94.3Very high96.9Very high88 Ų8813.8 Ų13.841%0.4117%0.071SC..Hα-helixtrans-60.6-31.2171.2-78.8179.5-23.200112L182 V183 L277 V278 G283L182-Q281 PolarHBondContact O-NE2 3.26Å; L182-Q281 VanDerWaalsContact O-NE2 3.09Å; V183-Q281 WeakPolarHBondContact O-CG 3.41Å; L277-Q281 HydrophobicContact CD1-CG 4.02Å; L277-Q281 WeakPolarHBondContact O-CB 3.43Å; L277-Q281 WeakPolarHBondContact O-CG 3.17Å; L277-Q281 PolarHBondContact O-N 2.97Å; V278-Q281 PolarHBondContact O-N 3.33Å; Q281-G283 VanDerWaalsContact C-N 3.32Å
282A94.4Very high96.8Very high30 Ų3019.9 Ų19.925%0.24810%0.1CC..THydrogen-bonded Turntrans-879.7173.800000114.1Q106 P246 V278 L279 M280 F284Q106-A282 PolarHBondContact NE2-O 3.2Å; P246-A282 HydrophobicContact CB-CB 3.41Å; P246-A282 VanDerWaalsContact CB-CB 3.41Å; P246-A282 HydrophobicContact CG-CB 3.68Å; V278-A282 WeakPolarHBondContact O-CB 3.39Å; V278-A282 PolarHBondContact O-N 3.46Å; V278-A282 VanDerWaalsContact O-N 3.07Å; L279-A282 CarbonylContact O-C 3.41Å; L279-A282 WeakPolarHBondContact O-CA 3.28Å; L279-A282 PolarHBondContact O-N 3.07Å; L279-A282 VanDerWaalsContact O-N 3.12Å; M280-A282 PolarHBondContact O-N 3.34Å; A282-F284 HydrophobicContact CB-CD2 4.03Å; A282-F284 HydrophobicContact CB-CE2 4.33Å; A282-F284 PolarHBondContact O-N 2.96Å
283G95.3Very high96.8Very high8 Ų821.6 Ų21.68%0.08211%0.109CC..THydrogen-bonded Turntrans80.211.2175.900000115.5L110 L279 M280 Q281L110-G283 WeakPolarHBondContact CD2-O 3.37Å; L279-G283 PolarHBondContact O-N 2.98Å; M280-G283 PolarHBondContact O-N 3.23Å; Q281-G283 VanDerWaalsContact C-N 3.32Å
284F96.9Very high96.8Very high0 Ų026.2 Ų26.20%013%0.127CC..PPolyproline II helixtrans-84.4149.9169.3-68.2-97.7000110.5L102 Q106 P246 V247 L279 M280 A282 T320 L324 V357L102-F284 HydrophobicContact CB-CE1 4.3Å; Q106-F284 HydrophobicContact CB-CD1 4.06Å; Q106-F284 HydrophobicContact CB-CE1 3.63Å; Q106-F284 HydrophobicContact CB-CZ 3.91Å; Q106-F284 HydrophobicContact CG-CD1 3.96Å; Q106-F284 HydrophobicContact CG-CD2 4.1Å; Q106-F284 HydrophobicContact CG-CE1 3.83Å; Q106-F284 HydrophobicContact CG-CE2 3.97Å; Q106-F284 HydrophobicContact CG-CG 4.09Å; Q106-F284 HydrophobicContact CG-CZ 3.82Å; Q106-F284 VanDerWaalsContact NE2-CE2 3.29Å; P246-F284 HydrophobicContact CB-CE2 4.06Å; P246-F284 HydrophobicContact CG-CE2 4.38Å; V247-F284 HydrophobicContact CG2-CD1 4.4Å; V247-F284 HydrophobicContact CG2-CE1 3.92Å; V247-F284 HydrophobicContact CG2-CE2 4.34Å; V247-F284 HydrophobicContact CG2-CZ 3.9Å; L279-F284 HydrophobicContact CB-CB 4.04Å; L279-F284 HydrophobicContact CD2-CB 4.39Å; L279-F284 HydrophobicContact CD2-CD2 4.41Å; L279-F284 HydrophobicContact CD2-CG 4.33Å; L279-F284 WeakPolarHBondContact O-CB 3.35Å; L279-F284 PolarHBondContact O-N 3.13Å; M280-F284 WeakPolarHBondContact CA-O 3.47Å; A282-F284 HydrophobicContact CB-CD2 4.03Å; A282-F284 HydrophobicContact CB-CE2 4.33Å; A282-F284 PolarHBondContact O-N 2.96Å; F284-T320 HydrophobicContact CD1-CG2 3.66Å; F284-T320 HydrophobicContact CE1-CG2 4.06Å; F284-L324 HydrophobicContact CD1-CD1 3.99Å; F284-L324 HydrophobicContact CE1-CD1 4.11Å; F284-V357 WeakPolarHBondContact O-CG1 3.48Å
285P95.3Very high96.7Very high0 Ų033.2 Ų33.20%016%0.163CC..PPolyproline II helixtrans-64.9156165.229.9-34.1000110.9F109 V287 T323 L324 Y327F109-P285 HydrophobicContact CE1-CB 4.22Å; F109-P285 HydrophobicContact CE1-CG 4.4Å; F109-P285 HydrophobicContact CE2-CB 4.26Å; F109-P285 HydrophobicContact CE2-CG 4.42Å; F109-P285 HydrophobicContact CZ-CB 3.86Å; F109-P285 HydrophobicContact CZ-CG 4.29Å; P285-V287 PolarHBondContact O-N 3.43Å; P285-T323 HydrophobicContact CB-CG2 4.17Å; P285-T323 HydrophobicContact CG-CG2 3.89Å; P285-L324 VanDerWaalsContact CD-CD2 3.48Å; P285-L324 HydrophobicContact CG-CD2 3.78Å; P285-L324 HydrophobicContact CG-CG 4.18Å; P285-Y327 HydrophobicContact CB-CD2 3.77Å; P285-Y327 HydrophobicContact CB-CE2 3.42Å; P285-Y327 VanDerWaalsContact CB-CE2 3.42Å; P285-Y327 HydrophobicContact CG-CD2 3.89Å; P285-Y327 HydrophobicContact CG-CE2 4.01Å
286P94.4Very high96.6Very high1 Ų137.2 Ų37.21%0.00618%0.181CC..PPolyproline II helixtrans-63.5123.9174.227.2-33.7000109.7N276 M280 T323 I355N276-P286 HydrophobicContact CB-CB 4.27Å; N276-P286 WeakPolarHBondContact OD1-CA 3.26Å; M280-P286 HydrophobicContact CG-CB 4.28Å; M280-P286 HydrophobicContact SD-CB 3.85Å; M280-P286 HydrophobicContact SD-CG 4.21Å; P286-T323 WeakPolarHBondContact O-CG2 3.45Å; P286-I355 HydrophobicContact CG-CB 4.2Å; P286-I355 HydrophobicContact CG-CD1 3.27Å; P286-I355 HydrophobicContact CG-CG1 3.76Å; P286-I355 HydrophobicContact CG-CG2 3.44Å; P286-I355 VanDerWaalsContact CG-CG2 3.44Å
287V97.4Very high96.6Very high2 Ų237.2 Ų37.21%0.01218%0.181CC..PPolyproline II helixtrans-80.3132.8-177.4173.70000110.5M275 N276 L279 P285 A319 T320M275-V287 HydrophobicContact CE-CB 4.26Å; M275-V287 HydrophobicContact CE-CG1 4.42Å; N276-V287 PolarHBondContact ND2-O 3.05Å; N276-V287 VanDerWaalsContact ND2-O 3.16Å; N276-V287 PolarHBondContact OD1-N 2.86Å; N276-V287 PolarHBondContact OD1-O 3.47Å; L279-V287 HydrophobicContact CD1-CB 3.92Å; L279-V287 HydrophobicContact CD1-CG2 3.58Å; P285-V287 PolarHBondContact O-N 3.43Å; V287-A319 HydrophobicContact CG1-CB 3.56Å; V287-T320 HydrophobicContact CG2-CG2 3.96Å
288I97.7Very high96.6Very high7 Ų741.6 Ų41.64%0.03620%0.198CC..  trans-101110.5178.5-58.4177.5000108.6A126 H130 H133 R290 R322 T323A126-I288 HydrophobicContact CB-CD1 4.38Å; H130-I288 HydrophobicContact CB-CD1 4.46Å; H130-I288 HydrophobicContact CB-CG1 4.27Å; H133-I288 HydrophobicContact CB-CG2 3.92Å; H133-I288 WeakPolarHBondContact CD2-CG2 3.34Å; I288-R290 HydrophobicContact CG2-CG 4.3Å; I288-R290 PolarHBondContact O-N 3.14Å; I288-R322 PolarHBondContact O-NH1 3.14Å; I288-T323 PolarHBondContact N-OG1 3.22Å
289I98.4Very high96.5Very high6 Ų646.8 Ų46.83%0.03122%0.221CC..  trans-77.1112161.5-58.5177000106.1H133 I137 R272 M275 Y297 F315 I316H133-I289 WeakPolarHBondContact CB-O 3.28Å; I137-I289 HydrophobicContact CD1-CB 4.05Å; I137-I289 HydrophobicContact CD1-CG2 3.69Å; I137-I289 WeakPolarHBondContact CD1-O 3.46Å; R272-I289 HydrophobicContact CG-CD1 4.16Å; M275-I289 HydrophobicContact CE-CD1 4.28Å; M275-I289 HydrophobicContact CE-CG1 4.41Å; M275-I289 HydrophobicContact SD-CD1 4.38Å; I289-Y297 HydrophobicContact CD1-CD2 4.05Å; I289-Y297 HydrophobicContact CD1-CE2 3.98Å; I289-Y297 HydrophobicContact CG2-CD2 4.33Å; I289-Y297 HydrophobicContact CG2-CG 4.35Å; I289-F315 HydrophobicContact CD1-CE1 4.22Å; I289-F315 HydrophobicContact CG1-CE1 4.26Å; I289-F315 HydrophobicContact CG2-CE1 3.84Å; I289-F315 HydrophobicContact CG2-CZ 3.79Å; I289-I316 HydrophobicContact CD1-CD1 3.78Å; I289-I316 HydrophobicContact CG1-CD1 4.32Å
290R98.1Very high96.4Very high91 Ų9147.2 Ų47.234%0.34322%0.224SC..  trans-73.5150.5-176-73.5-176.7-177.8-178-3110.6I288 E292 D293 R322 E326I288-R290 HydrophobicContact CG2-CG 4.3Å; I288-R290 PolarHBondContact O-N 3.14Å; R290-E292 WeakPolarHBondContact CB-OE2 3.47Å; R290-E292 PolarHBondContact O-N 2.91Å; R290-D293 WeakPolarHBondContact O-CB 3.5Å; R290-D293 PolarHBondContact O-N 3.37Å; R290-D293 VanDerWaalsContact O-N 3.07Å; R290-R322 VanDerWaalsContact NH2-CD 3.29Å; R290-E326 IonicContact CZ-OE1 3.07Å; R290-E326 IonicContact NE-OE1 3.52Å; R290-E326 IonicContact NH2-OE1 3.84Å; R290-E326 PolarHBondContact NH2-OE1 3.3Å
291V98.2Very high96.4Very high30 Ų3047.8 Ų47.818%0.18223%0.227CC..G310 helixtrans-70.2-28.1-178.264.20000111.1Y132 H133 A136 I137 D293 R294Y132-V291 HydrophobicContact CE1-CG1 4.31Å; H133-V291 PolarHBondContact ND1-N 2.87Å; A136-V291 HydrophobicContact CB-CB 3.99Å; A136-V291 HydrophobicContact CB-CG1 4.43Å; A136-V291 HydrophobicContact CB-CG2 3.68Å; I137-V291 HydrophobicContact CG1-CB 4.38Å; I137-V291 HydrophobicContact CG1-CG2 4.44Å; V291-D293 PolarHBondContact O-N 3.47Å; V291-R294 WeakPolarHBondContact O-CB 3.45Å; V291-R294 PolarHBondContact O-N 3.01Å; V291-R294 VanDerWaalsContact O-N 3.08Å
292E97.8Very high96.2Very high127 Ų12749.2 Ų49.259%0.59323%0.232SC*.G310 helixtrans-62.1-29.1172.8-59.273.7-160.200111.4H133 R290 R294H133-E292 IonicContact CE1-OE2 3.57Å; H133-E292 PolarHBondContact CE1-OE2 3.23Å; H133-E292 IonicContact ND1-OE2 2.66Å; R290-E292 WeakPolarHBondContact CB-OE2 3.47Å; R290-E292 PolarHBondContact O-N 2.91Å; E292-R294 VanDerWaalsContact C-N 3.29Å; E292-R294 PolarHBondContact O-N 3.29Å
293D97.8Very high96Very high42 Ų4249.7 Ų49.723%0.22523%0.229CC..G310 helixtrans-85.44.2177.9-64.7-33.6000112.8R290 V291 L295 K296 Y297 F315 R322R290-D293 WeakPolarHBondContact O-CB 3.5Å; R290-D293 PolarHBondContact O-N 3.37Å; R290-D293 VanDerWaalsContact O-N 3.07Å; V291-D293 PolarHBondContact O-N 3.47Å; D293-L295 VanDerWaalsContact C-N 3.32Å; D293-L295 PolarHBondContact O-N 3.26Å; D293-K296 PolarHBondContact O-N 2.73Å; D293-K296 VanDerWaalsContact O-N 3.11Å; D293-Y297 WeakPolarHBondContact O-CB 3.38Å; D293-Y297 PolarHBondContact O-N 3.47Å; D293-F315 HydrophobicContact CB-CE2 3.93Å; D293-F315 HydrophobicContact CB-CZ 3.9Å; D293-R322 IonicContact OD2-CZ 2.9Å; D293-R322 IonicContact OD2-NH2 3Å; D293-R322 PolarHBondContact OD2-NH2 3.18Å
294R97.2Very high95.8Very high98 Ų9849.5 Ų49.537%0.3723%0.228SC..Hα-helixtrans-52-44.9-173.7178.5-179.7177.9170.57.5113.2I137 V291 E292 Y297 Y298I137-R294 PolarHBondContact O-NE 2.9Å; I137-R294 VanDerWaalsContact O-NE 3.13Å; I137-R294 PolarHBondContact O-NH2 3.46Å; V291-R294 WeakPolarHBondContact O-CB 3.45Å; V291-R294 PolarHBondContact O-N 3.01Å; V291-R294 VanDerWaalsContact O-N 3.08Å; E292-R294 VanDerWaalsContact C-N 3.29Å; E292-R294 PolarHBondContact O-N 3.29Å; R294-Y297 PolarHBondContact O-N 3.02Å; R294-Y298 HydrophobicContact CG-CD2 3.8Å; R294-Y298 HydrophobicContact CG-CE2 3.62Å; R294-Y298 WeakPolarHBondContact O-CD2 3.39Å; R294-Y298 PolarHBondContact O-N 3.39Å; R294-Y298 VanDerWaalsContact O-N 3.1Å
295L96.1Very high95.4Very high148 Ų14852.8 Ų52.878%0.77525%0.245SC*.Hα-helixtrans-65.1-47.5-179.9-66.9178.3000111.3D293 Y297 Y298 E299D293-L295 VanDerWaalsContact C-N 3.32Å; D293-L295 PolarHBondContact O-N 3.26Å; L295-Y297 VanDerWaalsContact C-N 3.31Å; L295-Y297 PolarHBondContact O-N 2.87Å; L295-Y298 PolarHBondContact O-N 3.03Å; L295-E299 WeakPolarHBondContact O-CB 3.46Å; L295-E299 PolarHBondContact O-N 3.42Å
296K96.9Very high94.9Very high84 Ų8455.3 Ų55.337%0.36526%0.263SS..Hα-helixtrans-61.8-39.5177.3-172.9178.6-179.9-173.10111.6D293 E299 T300 F315 E318D293-K296 PolarHBondContact O-N 2.73Å; D293-K296 VanDerWaalsContact O-N 3.11Å; K296-E299 PolarHBondContact O-N 2.91Å; K296-T300 WeakPolarHBondContact O-CG2 3.05Å; K296-T300 PolarHBondContact O-N 3.22Å; K296-T300 PolarHBondContact O-OG1 3.08Å; K296-F315 HydrophobicContact CB-CE2 4.19Å; K296-F315 HydrophobicContact CD-CD2 3.79Å; K296-F315 HydrophobicContact CD-CE2 3.92Å; K296-F315 HydrophobicContact CG-CD2 3.85Å; K296-F315 HydrophobicContact CG-CE2 3.95Å; K296-E318 IonicContact NZ-OE1 3.83Å; K296-E318 IonicContact NZ-OE2 2.99Å; K296-E318 PolarHBondContact NZ-OE2 3.28Å
297Y97.8Very high94.5Very high2 Ų258.7 Ų58.71%0.00830%0.298CS..Hα-helixtrans-58.5-50.4174.8168-111.1000112I137 H254 I289 D293 R294 L295 T300 L301 F312 F315I137-Y297 HydrophobicContact CG2-CD1 4.29Å; I137-Y297 HydrophobicContact CG2-CE1 4.24Å; H254-Y297 AromaticContact CE1-CE2 3.68Å; H254-Y297 AromaticContact CE1-CZ 3.99Å; H254-Y297 PolarHBondContact CE1-OH 3.38Å; H254-Y297 AromaticContact NE2-CE2 3.58Å; H254-Y297 AromaticContact NE2-CZ 3.64Å; H254-Y297 PolarHBondContact NE2-OH 3.33Å; I289-Y297 HydrophobicContact CD1-CD2 4.05Å; I289-Y297 HydrophobicContact CD1-CE2 3.98Å; I289-Y297 HydrophobicContact CG2-CD2 4.33Å; I289-Y297 HydrophobicContact CG2-CG 4.35Å; D293-Y297 WeakPolarHBondContact O-CB 3.38Å; D293-Y297 PolarHBondContact O-N 3.47Å; R294-Y297 PolarHBondContact O-N 3.02Å; L295-Y297 VanDerWaalsContact C-N 3.31Å; L295-Y297 PolarHBondContact O-N 2.87Å; Y297-T300 PolarHBondContact O-OG1 3.26Å; Y297-L301 HydrophobicContact CD1-CD1 4.48Å; Y297-L301 HydrophobicContact CD2-CD1 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.9Å; Y297-L301 HydrophobicContact CE2-CD1 3.82Å; Y297-L301 HydrophobicContact CE2-CG 4.33Å; Y297-L301 WeakPolarHBondContact O-CG 3.36Å; Y297-L301 PolarHBondContact O-N 2.89Å; Y297-F312 AromaticContact CD2-CE2 3.84Å; Y297-F312 HydrophobicContact CD2-CE2 3.84Å; Y297-F312 AromaticContact CE2-CE2 3.7Å; Y297-F312 HydrophobicContact CE2-CE2 3.7Å; Y297-F312 HydrophobicContact CE2-CZ 4.13Å; Y297-F315 HydrophobicContact CD2-CD1 4.4Å; Y297-F315 AromaticContact CD2-CE1 3.76Å; Y297-F315 HydrophobicContact CD2-CE1 3.76Å; Y297-F315 HydrophobicContact CG-CE1 4.28Å
298Y95.3Very high94.2Very high92 Ų9259.2 Ų59.236%0.36130%0.3SS..Hα-helixtrans-69.8-35178.3-75.5-63.2000113.1I137 R294 L295 L301 K302I137-Y298 HydrophobicContact CG2-CE2 4.46Å; R294-Y298 HydrophobicContact CG-CD2 3.8Å; R294-Y298 HydrophobicContact CG-CE2 3.62Å; R294-Y298 WeakPolarHBondContact O-CD2 3.39Å; R294-Y298 PolarHBondContact O-N 3.39Å; R294-Y298 VanDerWaalsContact O-N 3.1Å; L295-Y298 PolarHBondContact O-N 3.03Å; Y298-L301 HydrophobicContact CD1-CD1 4.39Å; Y298-L301 PolarHBondContact O-N 3.38Å; Y298-K302 WeakPolarHBondContact O-CB 3.45Å; Y298-K302 PolarHBondContact O-N 3.1Å
299E93.6Very high94Very high124 Ų12460.7 Ų60.758%0.57931%0.308SS*.Hα-helixtrans-62.5-46176.5-175.6177.6-165.500111.6L295 K296 L301 K302 I303L295-E299 WeakPolarHBondContact O-CB 3.46Å; L295-E299 PolarHBondContact O-N 3.42Å; K296-E299 PolarHBondContact O-N 2.91Å; E299-L301 PolarHBondContact O-N 3.37Å; E299-K302 WeakPolarHBondContact O-CB 3.45Å; E299-K302 PolarHBondContact O-N 3.04Å; E299-K302 VanDerWaalsContact O-N 3.16Å; E299-I303 HydrophobicContact CG-CD1 4.28Å; E299-I303 WeakPolarHBondContact O-CG1 3.29Å; E299-I303 PolarHBondContact O-N 2.82Å
300T96.1Very high93.9Very high10 Ų1062.4 Ų62.46%0.06131%0.314CS..Hα-helixtrans-66.3-35.917950.70000112.7K296 Y297 I303 G304 P311 F315K296-T300 WeakPolarHBondContact O-CG2 3.05Å; K296-T300 PolarHBondContact O-N 3.22Å; K296-T300 PolarHBondContact O-OG1 3.08Å; Y297-T300 PolarHBondContact O-OG1 3.26Å; T300-I303 PolarHBondContact O-N 2.66Å; T300-G304 PolarHBondContact O-N 3.46Å; T300-P311 HydrophobicContact CG2-CB 4.03Å; T300-F315 HydrophobicContact CG2-CB 4.17Å
301L94.8Very high93.8Very high13 Ų1358.7 Ų58.77%0.06830%0.302CS..Hα-helixtrans-62.7-42.3170-72.2175.2000112.2Y255 Y297 Y298 E299 I303 G304 N305 F312Y255-L301 HydrophobicContact CD2-CD2 3.81Å; Y297-L301 HydrophobicContact CD1-CD1 4.48Å; Y297-L301 HydrophobicContact CD2-CD1 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.9Å; Y297-L301 HydrophobicContact CE2-CD1 3.82Å; Y297-L301 HydrophobicContact CE2-CG 4.33Å; Y297-L301 WeakPolarHBondContact O-CG 3.36Å; Y297-L301 PolarHBondContact O-N 2.89Å; Y298-L301 HydrophobicContact CD1-CD1 4.39Å; Y298-L301 PolarHBondContact O-N 3.38Å; E299-L301 PolarHBondContact O-N 3.37Å; L301-I303 VanDerWaalsContact C-N 3.34Å; L301-I303 PolarHBondContact O-N 2.61Å; L301-G304 WeakPolarHBondContact O-CA 3.24Å; L301-G304 PolarHBondContact O-N 3.21Å; L301-G304 VanDerWaalsContact O-N 3.14Å; L301-N305 PolarHBondContact O-N 3.1Å; L301-N305 PolarHBondContact O-OD1 3.23Å; L301-F312 HydrophobicContact CD2-CD1 4.33Å; L301-F312 HydrophobicContact CD2-CD2 3.72Å; L301-F312 HydrophobicContact CD2-CE1 4.14Å; L301-F312 HydrophobicContact CD2-CE2 3.51Å; L301-F312 HydrophobicContact CD2-CG 4.14Å; L301-F312 HydrophobicContact CD2-CZ 3.74Å; L301-F312 HydrophobicContact CG-CD2 3.99Å; L301-F312 HydrophobicContact CG-CE2 3.83Å; L301-F312 HydrophobicContact CG-CZ 4.5Å
302K91.2Very high93.8Very high119 Ų11957.3 Ų57.352%0.51729%0.293SS..Hα-helixtrans-63.3-39.1177.8-174.9176.5-176.9170.10112.3Y298 E299 G304 N305 S306Y298-K302 WeakPolarHBondContact O-CB 3.45Å; Y298-K302 PolarHBondContact O-N 3.1Å; E299-K302 WeakPolarHBondContact O-CB 3.45Å; E299-K302 PolarHBondContact O-N 3.04Å; E299-K302 VanDerWaalsContact O-N 3.16Å; K302-G304 VanDerWaalsContact C-N 3.34Å; K302-N305 PolarHBondContact O-N 3.29Å; K302-S306 PolarHBondContact O-N 3.5Å; K302-S306 PolarHBondContact O-OG 3.2Å
303I89.9Confident93.8Very high39 Ų3952 Ų5220%0.227%0.269CS..Hα-helixtrans-65.4-40.9173.3-61164.2000110.3L65 E299 T300 L301 N305 S306 G307 D308 P311L65-I303 HydrophobicContact CD1-CG2 4.14Å; E299-I303 HydrophobicContact CG-CD1 4.28Å; E299-I303 WeakPolarHBondContact O-CG1 3.29Å; E299-I303 PolarHBondContact O-N 2.82Å; T300-I303 PolarHBondContact O-N 2.66Å; L301-I303 VanDerWaalsContact C-N 3.34Å; L301-I303 PolarHBondContact O-N 2.61Å; I303-N305 VanDerWaalsContact C-N 3.33Å; I303-N305 PolarHBondContact O-N 3.18Å; I303-S306 CarbonylContact O-C 3.51Å; I303-S306 WeakPolarHBondContact O-CA 3.4Å; I303-S306 WeakPolarHBondContact O-CB 3.39Å; I303-S306 PolarHBondContact O-N 2.68Å; I303-G307 PolarHBondContact O-N 2.99Å; I303-D308 CarbonylContact C-O 3.4Å; I303-D308 HydrophobicContact CG2-CB 4.2Å; I303-D308 WeakPolarHBondContact CG2-O 3.42Å; I303-D308 PolarHBondContact O-N 3.25Å; I303-P311 HydrophobicContact CD1-CB 4.4Å; I303-P311 HydrophobicContact CG2-CG 4.01Å
304G92Very high93.8Very high5 Ų551 Ų515%0.05226%0.262CS..Hα-helixtrans-53.7-47.7172.500000112.6Y255 T300 L301 K302 S306 G307 D308Y255-G304 PolarHBondContact OH-O 3.02Å; T300-G304 PolarHBondContact O-N 3.46Å; L301-G304 WeakPolarHBondContact O-CA 3.24Å; L301-G304 PolarHBondContact O-N 3.21Å; L301-G304 VanDerWaalsContact O-N 3.14Å; K302-G304 VanDerWaalsContact C-N 3.34Å; G304-S306 PolarHBondContact O-N 3.16Å; G304-S306 VanDerWaalsContact O-N 3.15Å; G304-G307 PolarHBondContact O-N 3.14Å; G304-D308 WeakPolarHBondContact CA-O 3.28Å; G304-D308 PolarHBondContact N-O 3.5Å
305N88.2Confident93.9Very high69 Ų6946.5 Ų46.537%0.36925%0.245SC..Hα-helixtrans-63-19.5176.1-66.4-6.2000113.7Y255 L301 K302 I303 G307Y255-N305 VanDerWaalsContact CE2-OD1 3.24Å; Y255-N305 WeakPolarHBondContact CE2-OD1 3.3Å; Y255-N305 VanDerWaalsContact OH-CA 3.28Å; Y255-N305 WeakPolarHBondContact OH-CA 3.35Å; Y255-N305 PolarHBondContact OH-N 2.92Å; Y255-N305 PolarHBondContact OH-OD1 3.46Å; L301-N305 PolarHBondContact O-N 3.1Å; L301-N305 PolarHBondContact O-OD1 3.23Å; K302-N305 PolarHBondContact O-N 3.29Å; I303-N305 VanDerWaalsContact C-N 3.33Å; I303-N305 PolarHBondContact O-N 3.18Å; N305-G307 VanDerWaalsContact C-N 3.34Å
306S84.8Confident94Very high53 Ų5339.5 Ų39.537%0.37121%0.208SC..THydrogen-bonded Turntrans-89.5-0.9175.9-49.70000112.7I72 K302 I303 G304I72-S306 VanDerWaalsContact CD1-O 3.26Å; I72-S306 WeakPolarHBondContact CD1-O 3.47Å; I72-S306 WeakPolarHBondContact CG1-O 3.29Å; K302-S306 PolarHBondContact O-N 3.5Å; K302-S306 PolarHBondContact O-OG 3.2Å; I303-S306 CarbonylContact O-C 3.51Å; I303-S306 WeakPolarHBondContact O-CA 3.4Å; I303-S306 WeakPolarHBondContact O-CB 3.39Å; I303-S306 PolarHBondContact O-N 2.68Å; G304-S306 PolarHBondContact O-N 3.16Å; G304-S306 VanDerWaalsContact O-N 3.15Å
307G85.8Confident94.1Very high71 Ų7135.5 Ų35.573%0.73219%0.191SC*.THydrogen-bonded Turntrans113.5-4.917300000115.8I303 G304 N305I303-G307 PolarHBondContact O-N 2.99Å; G304-G307 PolarHBondContact O-N 3.14Å; N305-G307 VanDerWaalsContact C-N 3.34Å
308D90.1Very high94.1Very high13 Ų1339.7 Ų39.77%0.0721%0.211CC..  trans-120.4100.5177.4-171.42.4000111.9I303 G304 R310 P311I303-D308 CarbonylContact C-O 3.4Å; I303-D308 HydrophobicContact CG2-CB 4.2Å; I303-D308 WeakPolarHBondContact CG2-O 3.42Å; I303-D308 PolarHBondContact O-N 3.25Å; G304-D308 WeakPolarHBondContact CA-O 3.28Å; G304-D308 PolarHBondContact N-O 3.5Å; D308-R310 WeakPolarHBondContact OD1-CB 3.41Å; D308-R310 WeakPolarHBondContact OD1-CG 3.27Å; D308-R310 IonicContact OD1-CZ 3.6Å; D308-R310 PolarHBondContact OD1-N 2.99Å; D308-R310 VanDerWaalsContact OD1-N 3.1Å; D308-R310 IonicContact OD1-NE 2.7Å; D308-R310 PolarHBondContact OD1-NE 2.99Å; D308-R310 IonicContact OD1-NH2 3.91Å; D308-R310 IonicContact OD2-CZ 3.6Å; D308-R310 IonicContact OD2-NE 3.2Å; D308-R310 PolarHBondContact OD2-NE 3.3Å; D308-R310 IonicContact OD2-NH2 2.76Å; D308-R310 PolarHBondContact OD2-NH2 2.85Å; D308-P311 WeakPolarHBondContact O-CD 3.36Å
309I94.6Very high94.2Very high39 Ų3935.3 Ų35.320%0.219%0.194CC..  trans-83.2-11.5-179.1-167.6154.9000113.8L252 Y255 P311 F312 I313L252-I309 HydrophobicContact CD2-CD1 3.61Å; L252-I309 HydrophobicContact CD2-CG1 4.26Å; L252-I309 HydrophobicContact CD2-CG2 4.21Å; Y255-I309 HydrophobicContact CD1-CD1 3.2Å; Y255-I309 HydrophobicContact CD1-CG1 4.43Å; Y255-I309 HydrophobicContact CD2-CD1 4Å; Y255-I309 HydrophobicContact CE1-CD1 3.8Å; Y255-I309 HydrophobicContact CG-CD1 3.31Å; Y255-I309 HydrophobicContact CG-CG1 4.24Å; I309-P311 VanDerWaalsContact C-CD 3.49Å; I309-F312 HydrophobicContact CG1-CB 4.38Å; I309-F312 WeakPolarHBondContact O-CB 3.44Å; I309-F312 PolarHBondContact O-N 3.43Å; I309-I313 HydrophobicContact CG1-CD1 4.42Å; I309-I313 HydrophobicContact CG1-CG1 4.39Å; I309-I313 HydrophobicContact CG2-CD1 3.91Å; I309-I313 PolarHBondContact O-N 2.83Å; I309-I313 VanDerWaalsContact O-N 3.07Å
310R95.3Very high94.5Very high42 Ų4229.4 Ų29.416%0.15817%0.166CC..Hα-helixtrans-58.7-39.6-174.6-61.2171.1-67169.8-0.9113.3N64 C68 D308 F312 I313 R314N64-R310 PolarHBondContact OD1-NH1 2.84Å; N64-R310 VanDerWaalsContact OD1-NH1 3.11Å; N64-R310 PolarHBondContact OD1-NH2 2.9Å; C68-R310 PolarHBondContact SG-NH2 3.17Å; D308-R310 WeakPolarHBondContact OD1-CB 3.41Å; D308-R310 WeakPolarHBondContact OD1-CG 3.27Å; D308-R310 IonicContact OD1-CZ 3.6Å; D308-R310 PolarHBondContact OD1-N 2.99Å; D308-R310 VanDerWaalsContact OD1-N 3.1Å; D308-R310 IonicContact OD1-NE 2.7Å; D308-R310 PolarHBondContact OD1-NE 2.99Å; D308-R310 IonicContact OD1-NH2 3.91Å; D308-R310 IonicContact OD2-CZ 3.6Å; D308-R310 IonicContact OD2-NE 3.2Å; D308-R310 PolarHBondContact OD2-NE 3.3Å; D308-R310 IonicContact OD2-NH2 2.76Å; D308-R310 PolarHBondContact OD2-NH2 2.85Å; R310-F312 VanDerWaalsContact C-N 3.26Å; R310-F312 PolarHBondContact O-N 3.22Å; R310-I313 PolarHBondContact O-N 3.5Å; R310-R314 WeakPolarHBondContact O-CG 3.41Å; R310-R314 PolarHBondContact O-N 3.26Å
311P96Very high94.6Very high13 Ų1334.2 Ų34.28%0.08419%0.186CC..Hα-helixtrans-58.3-35.9173.8-26.938.1000113.4L65 T300 I303 D308 I309 F315L65-P311 HydrophobicContact CD1-CG 3.57Å; L65-P311 HydrophobicContact CD2-CG 4.22Å; T300-P311 HydrophobicContact CG2-CB 4.03Å; I303-P311 HydrophobicContact CD1-CB 4.4Å; I303-P311 HydrophobicContact CG2-CG 4.01Å; D308-P311 WeakPolarHBondContact O-CD 3.36Å; I309-P311 VanDerWaalsContact C-CD 3.49Å; P311-F315 WeakPolarHBondContact O-CB 3.5Å; P311-F315 PolarHBondContact O-N 2.92Å
312F98.1Very high94.7Very high0 Ų036.4 Ų36.40%019%0.193CC..Hα-helixtrans-71-42.1175.5-173.5-109.9000111.8A251 H254 Y297 L301 I309 R310 R314 F315 I316A251-F312 HydrophobicContact CB-CD1 4.26Å; A251-F312 HydrophobicContact CB-CE1 4.29Å; A251-F312 VanDerWaalsContact O-CE1 3.31Å; A251-F312 WeakPolarHBondContact O-CE1 3.25Å; H254-F312 HydrophobicContact CB-CE1 4.13Å; H254-F312 HydrophobicContact CB-CZ 4.31Å; H254-F312 AromaticContact CD2-CZ 3.72Å; H254-F312 AromaticContact CG-CZ 3.82Å; H254-F312 AromaticContact NE2-CZ 3.9Å; Y297-F312 AromaticContact CD2-CE2 3.84Å; Y297-F312 HydrophobicContact CD2-CE2 3.84Å; Y297-F312 AromaticContact CE2-CE2 3.7Å; Y297-F312 HydrophobicContact CE2-CE2 3.7Å; Y297-F312 HydrophobicContact CE2-CZ 4.13Å; L301-F312 HydrophobicContact CD2-CD1 4.33Å; L301-F312 HydrophobicContact CD2-CD2 3.72Å; L301-F312 HydrophobicContact CD2-CE1 4.14Å; L301-F312 HydrophobicContact CD2-CE2 3.51Å; L301-F312 HydrophobicContact CD2-CG 4.14Å; L301-F312 HydrophobicContact CD2-CZ 3.74Å; L301-F312 HydrophobicContact CG-CD2 3.99Å; L301-F312 HydrophobicContact CG-CE2 3.83Å; L301-F312 HydrophobicContact CG-CZ 4.5Å; I309-F312 HydrophobicContact CG1-CB 4.38Å; I309-F312 WeakPolarHBondContact O-CB 3.44Å; I309-F312 PolarHBondContact O-N 3.43Å; R310-F312 VanDerWaalsContact C-N 3.26Å; R310-F312 PolarHBondContact O-N 3.22Å; F312-R314 VanDerWaalsContact C-N 3.35Å; F312-R314 PolarHBondContact O-N 3.36Å; F312-F315 HydrophobicContact CD2-CD1 4.47Å; F312-F315 HydrophobicContact CE2-CD1 4.37Å; F312-F315 WeakPolarHBondContact O-CB 3.28Å; F312-F315 PolarHBondContact O-N 2.7Å; F312-I316 HydrophobicContact CD1-CG1 4.47Å; F312-I316 HydrophobicContact CE1-CG1 4.05Å; F312-I316 HydrophobicContact CE2-CD1 4.21Å; F312-I316 HydrophobicContact CE2-CG1 4.38Å; F312-I316 HydrophobicContact CZ-CD1 3.96Å; F312-I316 HydrophobicContact CZ-CG1 4Å; F312-I316 WeakPolarHBondContact O-CG1 3.49Å; F312-I316 PolarHBondContact O-N 2.95Å
313I98.2Very high95Very high16 Ų1630.8 Ų30.88%0.08217%0.169CC..Hα-helixtrans-58.7-46.7174.2-64.8162.4000110.7E248 A251 L252 I309 R310 F315 I316 A317E248-I313 HydrophobicContact CB-CG2 4.19Å; E248-I313 HydrophobicContact CG-CD1 3.96Å; E248-I313 HydrophobicContact CG-CG1 4.38Å; E248-I313 HydrophobicContact CG-CG2 4.16Å; A251-I313 HydrophobicContact CB-CB 4.39Å; A251-I313 HydrophobicContact CB-CG1 3.97Å; L252-I313 HydrophobicContact CD2-CD1 4.17Å; I309-I313 HydrophobicContact CG1-CD1 4.42Å; I309-I313 HydrophobicContact CG1-CG1 4.39Å; I309-I313 HydrophobicContact CG2-CD1 3.91Å; I309-I313 PolarHBondContact O-N 2.83Å; I309-I313 VanDerWaalsContact O-N 3.07Å; R310-I313 PolarHBondContact O-N 3.5Å; I313-F315 VanDerWaalsContact C-N 3.34Å; I313-F315 PolarHBondContact O-N 3.18Å; I313-I316 PolarHBondContact O-N 2.89Å; I313-A317 WeakPolarHBondContact O-CB 3.13Å; I313-A317 PolarHBondContact O-N 3.45Å
314R98Very high95.3Very high21 Ų2128.9 Ų28.98%0.07916%0.159CC..Hα-helixtrans-61.2-40.9175.3-68.3177.4-164.5115.112.2112.4D95 M98 R310 F312 I316 A317 E318D95-R314 IonicContact OD1-CZ 2.76Å; D95-R314 IonicContact OD1-NE 3.11Å; D95-R314 PolarHBondContact OD1-NE 3.31Å; D95-R314 IonicContact OD1-NH2 3.87Å; D95-R314 PolarHBondContact OD1-NH2 3.25Å; D95-R314 IonicContact OD2-CZ 2.61Å; D95-R314 IonicContact OD2-NE 3.75Å; D95-R314 IonicContact OD2-NH2 2.68Å; D95-R314 PolarHBondContact OD2-NH2 2.89Å; M98-R314 HydrophobicContact CE-CB 4.33Å; M98-R314 HydrophobicContact CE-CG 3.88Å; R310-R314 WeakPolarHBondContact O-CG 3.41Å; R310-R314 PolarHBondContact O-N 3.26Å; F312-R314 VanDerWaalsContact C-N 3.35Å; F312-R314 PolarHBondContact O-N 3.36Å; R314-I316 VanDerWaalsContact C-N 3.35Å; R314-I316 PolarHBondContact O-N 3.22Å; R314-A317 PolarHBondContact O-N 3.43Å; R314-E318 WeakPolarHBondContact O-CB 3.32Å; R314-E318 WeakPolarHBondContact O-CG 3.42Å; R314-E318 PolarHBondContact O-N 3.2Å
315F98.4Very high95.5Very high4 Ų429.9 Ų29.92%0.01817%0.169CC..Hα-helixtrans-59.8-44.4176175.2-101000112.3I289 D293 K296 Y297 T300 P311 F312 I313 E318 A319I289-F315 HydrophobicContact CD1-CE1 4.22Å; I289-F315 HydrophobicContact CG1-CE1 4.26Å; I289-F315 HydrophobicContact CG2-CE1 3.84Å; I289-F315 HydrophobicContact CG2-CZ 3.79Å; D293-F315 HydrophobicContact CB-CE2 3.93Å; D293-F315 HydrophobicContact CB-CZ 3.9Å; K296-F315 HydrophobicContact CB-CE2 4.19Å; K296-F315 HydrophobicContact CD-CD2 3.79Å; K296-F315 HydrophobicContact CD-CE2 3.92Å; K296-F315 HydrophobicContact CG-CD2 3.85Å; K296-F315 HydrophobicContact CG-CE2 3.95Å; Y297-F315 HydrophobicContact CD2-CD1 4.4Å; Y297-F315 AromaticContact CD2-CE1 3.76Å; Y297-F315 HydrophobicContact CD2-CE1 3.76Å; Y297-F315 HydrophobicContact CG-CE1 4.28Å; T300-F315 HydrophobicContact CG2-CB 4.17Å; P311-F315 WeakPolarHBondContact O-CB 3.5Å; P311-F315 PolarHBondContact O-N 2.92Å; F312-F315 HydrophobicContact CD2-CD1 4.47Å; F312-F315 HydrophobicContact CE2-CD1 4.37Å; F312-F315 WeakPolarHBondContact O-CB 3.28Å; F312-F315 PolarHBondContact O-N 2.7Å; I313-F315 VanDerWaalsContact C-N 3.34Å; I313-F315 PolarHBondContact O-N 3.18Å; F315-E318 PolarHBondContact O-N 2.93Å; F315-A319 WeakPolarHBondContact O-CB 3.32Å; F315-A319 PolarHBondContact O-N 2.97Å
316I98.7Very high95.8Very high0 Ų030 Ų300%017%0.168CC..Hα-helixtrans-67-39175.1-61.4-50.9000111.3V247 A251 M275 I289 F312 I313 R314 A319 T320V247-I316 HydrophobicContact CG1-CG2 4.27Å; A251-I316 HydrophobicContact CB-CB 3.95Å; A251-I316 HydrophobicContact CB-CG1 3.81Å; A251-I316 HydrophobicContact CB-CG2 4.22Å; M275-I316 HydrophobicContact SD-CD1 3.6Å; M275-I316 HydrophobicContact SD-CG1 4.18Å; M275-I316 HydrophobicContact SD-CG2 3.93Å; I289-I316 HydrophobicContact CD1-CD1 3.78Å; I289-I316 HydrophobicContact CG1-CD1 4.32Å; F312-I316 HydrophobicContact CD1-CG1 4.47Å; F312-I316 HydrophobicContact CE1-CG1 4.05Å; F312-I316 HydrophobicContact CE2-CD1 4.21Å; F312-I316 HydrophobicContact CE2-CG1 4.38Å; F312-I316 HydrophobicContact CZ-CD1 3.96Å; F312-I316 HydrophobicContact CZ-CG1 4Å; F312-I316 WeakPolarHBondContact O-CG1 3.49Å; F312-I316 PolarHBondContact O-N 2.95Å; I313-I316 PolarHBondContact O-N 2.89Å; R314-I316 VanDerWaalsContact C-N 3.35Å; R314-I316 PolarHBondContact O-N 3.22Å; I316-A319 PolarHBondContact O-N 3.35Å; I316-T320 WeakPolarHBondContact O-CB 3.33Å; I316-T320 PolarHBondContact O-N 3.4Å; I316-T320 PolarHBondContact O-OG1 3.03Å
317A98.6Very high96.3Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-63.1-42.5175.300000112.6M98 L102 V247 I313 R314 T320 K321M98-A317 HydrophobicContact CE-CB 3.46Å; M98-A317 VanDerWaalsContact CE-CB 3.46Å; M98-A317 HydrophobicContact CG-CB 4.23Å; M98-A317 HydrophobicContact SD-CB 3.57Å; M98-A317 VanDerWaalsContact SD-CB 3.57Å; L102-A317 HydrophobicContact CD1-CB 3.88Å; V247-A317 HydrophobicContact CG1-CB 3.99Å; I313-A317 WeakPolarHBondContact O-CB 3.13Å; I313-A317 PolarHBondContact O-N 3.45Å; R314-A317 PolarHBondContact O-N 3.43Å; A317-T320 WeakPolarHBondContact O-CB 3.36Å; A317-T320 PolarHBondContact O-N 3.37Å; A317-K321 WeakPolarHBondContact O-CB 3.45Å; A317-K321 PolarHBondContact O-N 3.43Å
318E98.1Very high96.8Very high91 Ų9124.8 Ų24.843%0.42512%0.118SC..Hα-helixtrans-62.2-44.3173.3-74.6173.3-170.800111.6K296 R314 F315 T320 K321 R322K296-E318 IonicContact NZ-OE1 3.83Å; K296-E318 IonicContact NZ-OE2 2.99Å; K296-E318 PolarHBondContact NZ-OE2 3.28Å; R314-E318 WeakPolarHBondContact O-CB 3.32Å; R314-E318 WeakPolarHBondContact O-CG 3.42Å; R314-E318 PolarHBondContact O-N 3.2Å; F315-E318 PolarHBondContact O-N 2.93Å; E318-T320 VanDerWaalsContact C-N 3.3Å; E318-T320 PolarHBondContact O-N 3.46Å; E318-K321 PolarHBondContact O-N 3.42Å; E318-R322 WeakPolarHBondContact O-CB 3.43Å; E318-R322 PolarHBondContact O-N 3.38Å
319A98.5Very high97Very high0 Ų027.5 Ų27.50%014%0.135CC..Hα-helixtrans-62.3-39.5175.100000111.6V287 F315 I316 R322 T323V287-A319 HydrophobicContact CG1-CB 3.56Å; F315-A319 WeakPolarHBondContact O-CB 3.32Å; F315-A319 PolarHBondContact O-N 2.97Å; I316-A319 PolarHBondContact O-N 3.35Å; A319-R322 WeakPolarHBondContact O-CB 3.41Å; A319-R322 PolarHBondContact O-N 2.88Å; A319-T323 PolarHBondContact O-N 2.98Å; A319-T323 PolarHBondContact O-OG1 3.3Å
320T98.5Very high96.8Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-63.3-47175.9-52.90000111.3L102 V247 F284 V287 I316 A317 E318 R322 T323 L324L102-T320 HydrophobicContact CD1-CG2 4.38Å; L102-T320 HydrophobicContact CD2-CG2 4.09Å; V247-T320 HydrophobicContact CG2-CG2 4.1Å; F284-T320 HydrophobicContact CD1-CG2 3.66Å; F284-T320 HydrophobicContact CE1-CG2 4.06Å; V287-T320 HydrophobicContact CG2-CG2 3.96Å; I316-T320 WeakPolarHBondContact O-CB 3.33Å; I316-T320 PolarHBondContact O-N 3.4Å; I316-T320 PolarHBondContact O-OG1 3.03Å; A317-T320 WeakPolarHBondContact O-CB 3.36Å; A317-T320 PolarHBondContact O-N 3.37Å; E318-T320 VanDerWaalsContact C-N 3.3Å; E318-T320 PolarHBondContact O-N 3.46Å; T320-R322 VanDerWaalsContact C-N 3.3Å; T320-R322 PolarHBondContact O-N 2.95Å; T320-T323 PolarHBondContact O-N 3.25Å; T320-L324 HydrophobicContact CG2-CD1 4.11Å; T320-L324 PolarHBondContact O-N 3.49Å
321K98.2Very high96.6Very high111 Ų11127.4 Ų27.448%0.48314%0.137SC..Hα-helixtrans-57.9-45.2176.5-172.8175.1179.4175.20111.1L102 A317 E318 G325L102-K321 VanDerWaalsContact CD2-CA 3.49Å; L102-K321 HydrophobicContact CD2-CB 3.63Å; L102-K321 HydrophobicContact CD2-CG 4.31Å; A317-K321 WeakPolarHBondContact O-CB 3.45Å; A317-K321 PolarHBondContact O-N 3.43Å; E318-K321 PolarHBondContact O-N 3.42Å; K321-G325 PolarHBondContact O-N 3.09Å
322R97.8Very high96.4Very high58 Ų5830.8 Ų30.822%0.21915%0.154CC..Hα-helixtrans-59.9-50.6178.3-159.4-159.4-33.8107.3-9.7111.2I288 R290 D293 E318 A319 T320 G325 E326I288-R322 PolarHBondContact O-NH1 3.14Å; R290-R322 VanDerWaalsContact NH2-CD 3.29Å; D293-R322 IonicContact OD2-CZ 2.9Å; D293-R322 IonicContact OD2-NH2 3Å; D293-R322 PolarHBondContact OD2-NH2 3.18Å; E318-R322 WeakPolarHBondContact O-CB 3.43Å; E318-R322 PolarHBondContact O-N 3.38Å; A319-R322 WeakPolarHBondContact O-CB 3.41Å; A319-R322 PolarHBondContact O-N 2.88Å; T320-R322 VanDerWaalsContact C-N 3.3Å; T320-R322 PolarHBondContact O-N 2.95Å; R322-G325 PolarHBondContact O-N 3.44Å; R322-E326 WeakPolarHBondContact O-CG 3.48Å; R322-E326 PolarHBondContact O-N 3.33Å
323T97Very high96Very high1 Ų136 Ų361%0.00618%0.178CC..Hα-helixtrans-62.1-46.6179.6-65.70000111.7P285 P286 I288 A319 T320 G325 E326 Y327P285-T323 HydrophobicContact CB-CG2 4.17Å; P285-T323 HydrophobicContact CG-CG2 3.89Å; P286-T323 WeakPolarHBondContact O-CG2 3.45Å; I288-T323 PolarHBondContact N-OG1 3.22Å; A319-T323 PolarHBondContact O-N 2.98Å; A319-T323 PolarHBondContact O-OG1 3.3Å; T320-T323 PolarHBondContact O-N 3.25Å; T323-G325 VanDerWaalsContact C-N 3.33Å; T323-G325 PolarHBondContact O-N 2.84Å; T323-E326 PolarHBondContact O-N 3.42Å; T323-Y327 HydrophobicContact CG2-CD2 3.99Å; T323-Y327 HydrophobicContact CG2-CE2 3.74Å; T323-Y327 VanDerWaalsContact O-CD2 3.23Å; T323-Y327 WeakPolarHBondContact O-CD2 3.22Å; T323-Y327 PolarHBondContact O-N 3.26Å
324L96.8Very high95.3Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-58.5-45.9174.9-79.3167.3000111.6L102 D105 Q106 F109 F284 P285 T320 E326 Y327 L328L102-L324 HydrophobicContact CD2-CD1 4.16Å; D105-L324 HydrophobicContact CB-CB 4.19Å; D105-L324 HydrophobicContact CB-CD1 3.9Å; Q106-L324 HydrophobicContact CB-CD1 4.45Å; F109-L324 HydrophobicContact CB-CD2 3.76Å; F109-L324 HydrophobicContact CG-CD2 4.05Å; F284-L324 HydrophobicContact CD1-CD1 3.99Å; F284-L324 HydrophobicContact CE1-CD1 4.11Å; P285-L324 VanDerWaalsContact CD-CD2 3.48Å; P285-L324 HydrophobicContact CG-CD2 3.78Å; P285-L324 HydrophobicContact CG-CG 4.18Å; T320-L324 HydrophobicContact CG2-CD1 4.11Å; T320-L324 PolarHBondContact O-N 3.49Å; L324-E326 VanDerWaalsContact C-N 3.34Å; L324-E326 PolarHBondContact O-N 2.91Å; L324-Y327 PolarHBondContact O-N 2.75Å; L324-L328 WeakPolarHBondContact O-CB 3.25Å; L324-L328 VanDerWaalsContact O-CG 3.24Å; L324-L328 WeakPolarHBondContact O-CG 3.27Å; L324-L328 PolarHBondContact O-N 3.01Å
325G96.5Very high94.4Very high25 Ų2541.6 Ų41.626%0.25822%0.216SC..Hα-helixtrans-57.2-43.9176.700000112.9K321 R322 T323 Y327 L328 T329K321-G325 PolarHBondContact O-N 3.09Å; R322-G325 PolarHBondContact O-N 3.44Å; T323-G325 VanDerWaalsContact C-N 3.33Å; T323-G325 PolarHBondContact O-N 2.84Å; G325-Y327 PolarHBondContact O-N 2.97Å; G325-L328 PolarHBondContact O-N 3.29Å; G325-T329 WeakPolarHBondContact O-CB 3.43Å; G325-T329 PolarHBondContact O-N 2.98Å; G325-T329 PolarHBondContact O-OG1 3.4Å
326E95Very high93.2Very high73 Ų7345.1 Ų45.134%0.34124%0.241SC..Hα-helixtrans-58.5-46.6176.3-71.1160.1-163.500112.1R290 R322 T323 L324 E330R290-E326 IonicContact CZ-OE1 3.07Å; R290-E326 IonicContact NE-OE1 3.52Å; R290-E326 IonicContact NH2-OE1 3.84Å; R290-E326 PolarHBondContact NH2-OE1 3.3Å; R322-E326 WeakPolarHBondContact O-CG 3.48Å; R322-E326 PolarHBondContact O-N 3.33Å; T323-E326 PolarHBondContact O-N 3.42Å; L324-E326 VanDerWaalsContact C-N 3.34Å; L324-E326 PolarHBondContact O-N 2.91Å; E326-E330 PolarHBondContact O-N 3.36Å
327Y94.6Very high91.8Very high6 Ų651.2 Ų51.22%0.02427%0.274CS..Hα-helixtrans-65.9-41.2177.2-79.5-73.9000113F109 L119 A122 M123 A126 P285 T323 L324 G325 V331F109-Y327 HydrophobicContact CD2-CG 4.21Å; F109-Y327 AromaticContact CE2-CD1 3.96Å; F109-Y327 HydrophobicContact CE2-CD1 3.96Å; F109-Y327 HydrophobicContact CE2-CD2 4.13Å; F109-Y327 AromaticContact CE2-CG 3.73Å; F109-Y327 HydrophobicContact CE2-CG 3.73Å; L119-Y327 HydrophobicContact CD1-CD1 3.86Å; L119-Y327 HydrophobicContact CD1-CE1 4.36Å; A122-Y327 HydrophobicContact CB-CD1 3.65Å; A122-Y327 HydrophobicContact CB-CE1 3.73Å; M123-Y327 HydrophobicContact CB-CE1 4.37Å; M123-Y327 HydrophobicContact CG-CE1 3.62Å; A126-Y327 WeakPolarHBondContact CB-OH 3.41Å; P285-Y327 HydrophobicContact CB-CD2 3.77Å; P285-Y327 HydrophobicContact CB-CE2 3.42Å; P285-Y327 VanDerWaalsContact CB-CE2 3.42Å; P285-Y327 HydrophobicContact CG-CD2 3.89Å; P285-Y327 HydrophobicContact CG-CE2 4.01Å; T323-Y327 HydrophobicContact CG2-CD2 3.99Å; T323-Y327 HydrophobicContact CG2-CE2 3.74Å; T323-Y327 VanDerWaalsContact O-CD2 3.23Å; T323-Y327 WeakPolarHBondContact O-CD2 3.22Å; T323-Y327 PolarHBondContact O-N 3.26Å; L324-Y327 PolarHBondContact O-N 2.75Å; G325-Y327 PolarHBondContact O-N 2.97Å; Y327-V331 WeakPolarHBondContact O-CG2 3.23Å; Y327-V331 PolarHBondContact O-N 2.94Å
328L95.2Very high89.7Confident7 Ų753.6 Ų53.64%0.03730%0.299CS..Hα-helixtrans-68.3-44.6-179.2-68.5172.3000111.1D105 R108 F109 I112 L324 G325 V331 D332D105-L328 HydrophobicContact CB-CD1 3.96Å; R108-L328 HydrophobicContact CB-CD1 4.34Å; R108-L328 HydrophobicContact CB-CD2 3.72Å; F109-L328 HydrophobicContact CB-CD2 4.39Å; I112-L328 HydrophobicContact CD1-CD2 4.05Å; L324-L328 WeakPolarHBondContact O-CB 3.25Å; L324-L328 VanDerWaalsContact O-CG 3.24Å; L324-L328 WeakPolarHBondContact O-CG 3.27Å; L324-L328 PolarHBondContact O-N 3.01Å; G325-L328 PolarHBondContact O-N 3.29Å; L328-V331 PolarHBondContact O-N 3.47Å; L328-D332 WeakPolarHBondContact O-CB 3.49Å; L328-D332 VanDerWaalsContact O-CG 3.23Å; L328-D332 PolarHBondContact O-N 3.45Å
329T94.7Very high87.3Confident70 Ų7055.3 Ų55.343%0.42932%0.316SS..Hα-helixtrans-61-46.5177.8-63.20000111.6G325 V331 D332 E333G325-T329 WeakPolarHBondContact O-CB 3.43Å; G325-T329 PolarHBondContact O-N 2.98Å; G325-T329 PolarHBondContact O-OG1 3.4Å; T329-V331 PolarHBondContact O-N 2.92Å; T329-D332 PolarHBondContact O-N 2.97Å; T329-E333 HydrophobicContact CG2-CG 4.17Å; T329-E333 VanDerWaalsContact CG2-OE1 3.3Å; T329-E333 WeakPolarHBondContact CG2-OE1 3.42Å; T329-E333 WeakPolarHBondContact O-CB 3.41Å; T329-E333 WeakPolarHBondContact O-CG 3.47Å; T329-E333 PolarHBondContact O-N 3.15Å
330E91.2Very high84.6Confident70 Ų7063.3 Ų63.333%0.32736%0.357SS..Hα-helixtrans-59.4-35.7-179.9-165.881.2-171.500111.9A118 A122 E326 D334A118-E330 HydrophobicContact CB-CG 4.33Å; A122-E330 HydrophobicContact CB-CB 4.48Å; A122-E330 HydrophobicContact CB-CG 4.27Å; E326-E330 PolarHBondContact O-N 3.36Å; E330-D334 PolarHBondContact O-N 3.39Å
331V91.2Very high81.8Confident10 Ų1067.6 Ų67.66%0.06139%0.393CS..Hα-helixtrans-79.5-37.6179.3170.90000112.4I112 A118 L119 Y327 L328 T329 S335I112-V331 HydrophobicContact CD1-CB 4.2Å; I112-V331 HydrophobicContact CD1-CG1 4.16Å; I112-V331 HydrophobicContact CD1-CG2 4.05Å; I112-V331 HydrophobicContact CG1-CG1 4.24Å; I112-V331 HydrophobicContact CG2-CG1 4.01Å; I112-V331 HydrophobicContact CG2-CG2 4.17Å; A118-V331 HydrophobicContact CB-CG2 4.17Å; L119-V331 HydrophobicContact CB-CG2 4.09Å; Y327-V331 WeakPolarHBondContact O-CG2 3.23Å; Y327-V331 PolarHBondContact O-N 2.94Å; L328-V331 PolarHBondContact O-N 3.47Å; T329-V331 PolarHBondContact O-N 2.92Å; V331-S335 WeakPolarHBondContact O-CB 3.29Å; V331-S335 PolarHBondContact O-N 3.32Å; V331-S335 VanDerWaalsContact O-N 3.15Å; V331-S335 PolarHBondContact O-OG 3.24Å
332D91.2Very high78.7Confident83 Ų8370 Ų7044%0.44441%0.411SS..Hα-helixtrans-66.3-39.1176.2-71.2-20.6000110.5R108 L328 T329 S335 S336R108-D332 IonicContact NH2-OD1 2.94Å; R108-D332 IonicContact NH2-OD2 2.6Å; R108-D332 PolarHBondContact NH2-OD2 3.15Å; L328-D332 WeakPolarHBondContact O-CB 3.49Å; L328-D332 VanDerWaalsContact O-CG 3.23Å; L328-D332 PolarHBondContact O-N 3.45Å; T329-D332 PolarHBondContact O-N 2.97Å; D332-S335 PolarHBondContact O-N 2.88Å; D332-S336 PolarHBondContact O-N 3.19Å
333E88.7Confident75.6Confident110 Ų11072 Ų7251%0.51443%0.434SS..Hα-helixtrans-66.7-48.4176.1-73179-178.800112.6T329 S335 S336 D337T329-E333 HydrophobicContact CG2-CG 4.17Å; T329-E333 VanDerWaalsContact CG2-OE1 3.3Å; T329-E333 WeakPolarHBondContact CG2-OE1 3.42Å; T329-E333 WeakPolarHBondContact O-CB 3.41Å; T329-E333 WeakPolarHBondContact O-CG 3.47Å; T329-E333 PolarHBondContact O-N 3.15Å; E333-S335 PolarHBondContact O-N 3.37Å; E333-S336 PolarHBondContact O-N 3.22Å; E333-S336 PolarHBondContact O-OG 3.05Å; E333-D337 PolarHBondContact O-N 2.95Å; E333-D337 VanDerWaalsContact O-N 3.1Å
334D84.7Confident72.7Confident78 Ų7880.8 Ų80.842%0.41747%0.472SS..Hα-helixtrans-61.1-33.5177-17266.5000112.2A118 E330 S336 G338A118-D334 HydrophobicContact CB-CB 3.53Å; E330-D334 PolarHBondContact O-N 3.39Å; D334-S336 VanDerWaalsContact C-N 3.32Å; D334-S336 PolarHBondContact O-N 3.41Å; D334-G338 PolarHBondContact O-N 3.32Å
335S78.8Confident69.9Low76 Ų7690.4 Ų90.453%0.53152%0.516SS..Hα-helixtrans-67.8-31.9175.4-58.80000112.5V331 D332 E333V331-S335 WeakPolarHBondContact O-CB 3.29Å; V331-S335 PolarHBondContact O-N 3.32Å; V331-S335 VanDerWaalsContact O-N 3.15Å; V331-S335 PolarHBondContact O-OG 3.24Å; D332-S335 PolarHBondContact O-N 2.88Å; E333-S335 PolarHBondContact O-N 3.37Å
336S74.4Confident67Low79 Ų7992.6 Ų92.655%0.55254%0.539SS*.Hα-helixtrans-76.6-36.9177.6700000112.9D332 E333 D334D332-S336 PolarHBondContact O-N 3.19Å; E333-S336 PolarHBondContact O-N 3.22Å; E333-S336 PolarHBondContact O-OG 3.05Å; D334-S336 VanDerWaalsContact C-N 3.32Å; D334-S336 PolarHBondContact O-N 3.41Å
337D67.4Low64.3Low127 Ų127100.7 Ų100.768%0.67957%0.566SS**Hα-helixtrans-79.4-23.5177.2-79.3-14.3000113E333 T339 L340E333-D337 PolarHBondContact O-N 2.95Å; E333-D337 VanDerWaalsContact O-N 3.1Å; D337-T339 PolarHBondContact O-N 3.08Å; D337-L340 PolarHBondContact O-N 3.23Å
338G55.6Low62.1Low51 Ų51104.8 Ų104.853%0.52659%0.585SS.*G310 helixtrans-63.6-3-175.200000116.8D334 L340D334-G338 PolarHBondContact O-N 3.32Å; G338-L340 PolarHBondContact O-N 3.29Å
339T47.7Very low59.7Low127 Ų127110.1 Ų110.178%0.77962%0.617SS**G310 helixtrans-70.8-5.5174.3-29.20000113.1D337D337-T339 PolarHBondContact O-N 3.08Å
340L41.6Very low58Low167 Ų167110.3 Ų110.387%0.87462%0.616SS**G310 helixtrans-128.11.4-170.4-82.8154.9000117.5D337 G338D337-L340 PolarHBondContact O-N 3.23Å; G338-L340 PolarHBondContact O-N 3.29Å
341A40.3Very low56.5Low91 Ų91110.7 Ų110.775%0.75262%0.62SS**  trans-132.590.5-174.200000114.4
342N31.9Very low55Low162 Ų162111 Ų11187%0.86663%0.625SS**  trans-82.7135.1167.9-130.8-10.8000110.7
343S32.3Very low53.4Low100 Ų100108.4 Ų108.470%0.69961%0.609SS**  trans77.8108.8163.384.40000119.6
344K37.7Very low52Low185 Ų185103.7 Ų103.780%0.80459%0.588SS**  -169.5107.4125.5-99.5173.5-169.7-176.80108.6G346K344-G346 PolarHBondContact O-N 3.42Å
345H36.3Very low50.8Low201 Ų201100 Ų10093%0.93157%0.568SS**  trans-74.6108.7176.3-78.268.2000109.6
346G35.5Very low49.7Very low71 Ų7199.4 Ų99.473%0.73256%0.559SS**  trans-111.8124.5162.400000108.7K344 F348K344-G346 PolarHBondContact O-N 3.42Å; G346-F348 PolarHBondContact O-N 3.29Å
347R39.6Very low48.9Very low243 Ų24395.9 Ų95.992%0.91753%0.534SS*.  trans-63.4116.9171.4-87.2-178.3178170.5-0.8108.4V349R347-V349 PolarHBondContact O-N 3.46Å
348F47.2Very low48.1Very low93 Ų9395.8 Ų95.841%0.40853%0.533SS..  trans-67.5124.9163.9-168.9-99.8000107.8I120 G346 D350 T354I120-F348 HydrophobicContact CG2-CD1 4.25Å; I120-F348 HydrophobicContact CG2-CD2 3.4Å; I120-F348 HydrophobicContact CG2-CE1 4.01Å; I120-F348 HydrophobicContact CG2-CE2 3.11Å; I120-F348 HydrophobicContact CG2-CG 3.97Å; I120-F348 HydrophobicContact CG2-CZ 3.45Å; I120-F348 VanDerWaalsContact CG2-CZ 3.45Å; G346-F348 PolarHBondContact O-N 3.29Å; F348-D350 HydrophobicContact CE1-CB 4.25Å; F348-T354 HydrophobicContact CE1-CG2 4.23Å; F348-T354 VanDerWaalsContact CE1-OG1 3.3Å; F348-T354 WeakPolarHBondContact CE1-OG1 3.46Å; F348-T354 HydrophobicContact CZ-CG2 4.22Å; F348-T354 VanDerWaalsContact CZ-OG1 3.27Å; F348-T354 WeakPolarHBondContact CZ-OG1 3.48Å
349V46.5Very low47.8Very low119 Ų11998 Ų9872%0.72153%0.534SS*.  trans-111.4113.7172.1-179.70000105.5R347 D351R347-V349 PolarHBondContact O-N 3.46Å; V349-D351 PolarHBondContact O-N 3.45Å
350D58.5Low47.8Very low73 Ų7396.5 Ų96.539%0.3952%0.521SS..  trans-71.3112.2178.5-175.420.5000109.4F348 G352 T354F348-D350 HydrophobicContact CE1-CB 4.25Å; D350-G352 PolarHBondContact O-N 3.45Å; D350-G352 PolarHBondContact OD1-N 3.17Å; D350-G352 VanDerWaalsContact OD1-N 3.1Å; D350-T354 VanDerWaalsContact OD1-CB 3.27Å; D350-T354 WeakPolarHBondContact OD1-CB 3.4Å; D350-T354 PolarHBondContact OD1-N 3.01Å; D350-T354 PolarHBondContact OD1-OG1 3.44Å
351D59.6Low48.1Very low78 Ų7892.6 Ų92.642%0.41750%0.501SS..  trans-88.215.5175.770.7-19.3000112V349 R353V349-D351 PolarHBondContact O-N 3.45Å; D351-R353 PolarHBondContact O-N 3.13Å; D351-R353 WeakPolarHBondContact OD1-CB 3.36Å; D351-R353 PolarHBondContact OD1-N 3.02Å; D351-R353 IonicContact OD2-CZ 2.66Å; D351-R353 IonicContact OD2-NE 3.56Å; D351-R353 IonicContact OD2-NH1 3.22Å; D351-R353 PolarHBondContact OD2-NH1 3.25Å
352G59Low48.6Very low17 Ų1792.6 Ų92.618%0.17549%0.486CS..SBendtrans74.94.8-173.400000113.5K176 D350 T354K176-G352 WeakPolarHBondContact CG-O 3.45Å; D350-G352 PolarHBondContact O-N 3.45Å; D350-G352 PolarHBondContact OD1-N 3.17Å; D350-G352 VanDerWaalsContact OD1-N 3.1Å; G352-T354 VanDerWaalsContact C-N 3.32Å
353R59Low49.6Very low28 Ų2888.3 Ų88.311%0.10646%0.463CS..  trans-98.623.2171.6-54.8-173.6-179.7117.5-5.5112.6Y127 L151 D351Y127-R353 HydrophobicContact CD1-CB 4.02Å; Y127-R353 HydrophobicContact CD1-CG 4.46Å; Y127-R353 HydrophobicContact CE1-CB 3.99Å; Y127-R353 HydrophobicContact CE1-CG 3.97Å; Y127-R353 HydrophobicContact CG-CB 4.34Å; L151-R353 PolarHBondContact O-NH2 3.07Å; D351-R353 PolarHBondContact O-N 3.13Å; D351-R353 WeakPolarHBondContact OD1-CB 3.36Å; D351-R353 PolarHBondContact OD1-N 3.02Å; D351-R353 IonicContact OD2-CZ 2.66Å; D351-R353 IonicContact OD2-NE 3.56Å; D351-R353 IonicContact OD2-NH1 3.22Å; D351-R353 PolarHBondContact OD2-NH1 3.25Å
354T58.4Low50.8Low11 Ų1187.5 Ų87.57%0.06745%0.447CS..SBendtrans-104125.9165.7-39.40000107.2M123 F348 D350 G352 L356M123-T354 HydrophobicContact CB-CG2 4.11Å; F348-T354 HydrophobicContact CE1-CG2 4.23Å; F348-T354 VanDerWaalsContact CE1-OG1 3.3Å; F348-T354 WeakPolarHBondContact CE1-OG1 3.46Å; F348-T354 HydrophobicContact CZ-CG2 4.22Å; F348-T354 VanDerWaalsContact CZ-OG1 3.27Å; F348-T354 WeakPolarHBondContact CZ-OG1 3.48Å; D350-T354 VanDerWaalsContact OD1-CB 3.27Å; D350-T354 WeakPolarHBondContact OD1-CB 3.4Å; D350-T354 PolarHBondContact OD1-N 3.01Å; D350-T354 PolarHBondContact OD1-OG1 3.44Å; G352-T354 VanDerWaalsContact C-N 3.32Å; T354-L356 PolarHBondContact O-N 3.18Å
355I60.6Low51.7Low1 Ų180.6 Ų80.61%0.00542%0.421CS..  trans-59.8125.1167.2-69158.1000106.5M123 A126 Y127 M280 P286 V357M123-I355 HydrophobicContact CE-CB 4.25Å; M123-I355 HydrophobicContact CE-CG2 4.11Å; M123-I355 WeakPolarHBondContact CE-O 3.4Å; A126-I355 HydrophobicContact CB-CD1 3.93Å; Y127-I355 HydrophobicContact CD2-CG1 4.18Å; M280-I355 HydrophobicContact CE-CG2 3.65Å; P286-I355 HydrophobicContact CG-CB 4.2Å; P286-I355 HydrophobicContact CG-CD1 3.27Å; P286-I355 HydrophobicContact CG-CG1 3.76Å; P286-I355 HydrophobicContact CG-CG2 3.44Å; P286-I355 VanDerWaalsContact CG-CG2 3.44Å; I355-V357 HydrophobicContact CG2-CG2 3.82Å
356L55.7Low52.9Low63 Ų6371.3 Ų71.333%0.3338%0.382SS..  trans-97.3111.3172-61176.7000106.8M280 T354M280-L356 WeakPolarHBondContact CE-O 3.17Å; T354-L356 PolarHBondContact O-N 3.18Å
357V57.3Low54.3Low6 Ų671.3 Ų71.34%0.03635%0.353CS..  trans-105.6131.9163.7-1670000105.1F109 R114 M123 F284 I355F109-V357 HydrophobicContact CE1-CB 4.09Å; F109-V357 HydrophobicContact CE1-CG1 3.97Å; F109-V357 HydrophobicContact CE1-CG2 4.13Å; F109-V357 HydrophobicContact CZ-CB 4.44Å; F109-V357 HydrophobicContact CZ-CG2 4.15Å; R114-V357 PolarHBondContact NE-O 2.85Å; R114-V357 VanDerWaalsContact NE-O 3.14Å; R114-V357 PolarHBondContact NH1-O 2.84Å; R114-V357 PolarHBondContact NH2-O 3.37Å; M123-V357 HydrophobicContact CE-CB 4.3Å; M123-V357 HydrophobicContact CE-CG2 3.77Å; F284-V357 WeakPolarHBondContact O-CG1 3.48Å; I355-V357 HydrophobicContact CG2-CG2 3.82Å
358N50.8Low55.7Low124 Ų12455.7 Ų55.766%0.66330%0.302SS*.  trans-64.20174.7-78.3-20.7000110.8L110 R114 N184L110-N358 WeakPolarHBondContact CD2-O 3.34Å; R114-N358 PolarHBondContact NE-OXT 3.44Å; R114-N358 PolarHBondContact NH2-O 3.29Å; R114-N358 PolarHBondContact NH2-OXT 3.31Å; N184-N358 VanDerWaalsContact CG-OD1 3.3Å; N184-N358 PolarHBondContact ND2-OD1 3.01Å; N184-N358 VanDerWaalsContact ND2-OD1 3.14Å; N184-N358 PolarHBondContact OD1-ND2 2.97Å; N184-N358 PolarHBondContact OD1-OD1 3.31Å

Retrieved 358 of 358 residues in 117.8 ms (Link to these results)

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