A0A087Y7A7_POEFO Loading...

3-hydroxybutyrate dehydrogenase, type 1

AlphaFold DB , UniProt , Accession A0A087Y7A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 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
1M46.2Very low61.8Low244 Ų244119.7 Ų119.7100%1.20266%0.663SS**  0142.50-83.6172.6167.600108.6
2A46.7Very low62.3Low87 Ų87119.6 Ų119.672%0.71966%0.659SS**  trans88.844.3166.800000123.1
3P49.7Very low63.3Low108 Ų108116.8 Ų116.870%0.70165%0.647SS**SBendtrans-109.6-22.8154.59.58.9000114.5
4Q51.3Low64.1Low164 Ų164113.9 Ų113.977%0.76664%0.639SS**Hα-helixtrans-78.5-19-175.5-77.3-177.5-13.400114.4R8Q4-R8 PolarHBondContact O-N 3.23Å
5S59.8Low64.8Low75 Ų75114.7 Ų114.752%0.52463%0.633SS.*Hα-helixtrans-77.6-40.7179.668.80000112.3F7 R8 V9S5-F7 PolarHBondContact O-N 3.31Å; S5-R8 PolarHBondContact O-N 3.45Å; S5-V9 WeakPolarHBondContact O-CB 3.2Å; S5-V9 VanDerWaalsContact O-CG2 3.23Å; S5-V9 WeakPolarHBondContact O-CG2 3.35Å; S5-V9 PolarHBondContact O-N 3.17Å
6A66.7Low64.9Low67 Ų67111.6 Ų111.655%0.55462%0.622SS**Hα-helixtrans-65.5-40.3-179.400000112.2V9 A10A6-V9 PolarHBondContact O-N 3.47Å; A6-A10 WeakPolarHBondContact O-CB 3.27Å; A6-A10 PolarHBondContact O-N 3.17Å
7F73.4Confident65.3Low144 Ų144109.9 Ų109.963%0.63262%0.615SS**Hα-helixtrans-65.2-44.1176-175.7-102.9000112.2S5 V9 A10 L11S5-F7 PolarHBondContact O-N 3.31Å; F7-V9 PolarHBondContact O-N 3.1Å; F7-A10 PolarHBondContact O-N 3.23Å; F7-L11 HydrophobicContact CD1-CD1 4.45Å; F7-L11 HydrophobicContact CE1-CD1 3.67Å; F7-L11 HydrophobicContact CZ-CD1 3.74Å; F7-L11 WeakPolarHBondContact O-CB 3.5Å; F7-L11 PolarHBondContact O-N 3.02Å
8R62.4Low65.8Low188 Ų188109.6 Ų109.671%0.70961%0.611SS**Hα-helixtrans-61.9-41.8174.4-84.5-174174-172.6-0.8112.4Q4 S5 L11 L12Q4-R8 PolarHBondContact O-N 3.23Å; S5-R8 PolarHBondContact O-N 3.45Å; R8-L11 PolarHBondContact O-N 2.93Å; R8-L12 WeakPolarHBondContact O-CB 3.33Å; R8-L12 VanDerWaalsContact O-CG 3.31Å; R8-L12 WeakPolarHBondContact O-CG 3.43Å; R8-L12 PolarHBondContact O-N 3.45Å
9V70.2Confident66.1Low88 Ų88108.3 Ų108.353%0.53360%0.602SS.*Hα-helixtrans-64-46176.7170.90000110.5S5 A6 F7 L11 L12 V13S5-V9 WeakPolarHBondContact O-CB 3.2Å; S5-V9 VanDerWaalsContact O-CG2 3.23Å; S5-V9 WeakPolarHBondContact O-CG2 3.35Å; S5-V9 PolarHBondContact O-N 3.17Å; A6-V9 PolarHBondContact O-N 3.47Å; F7-V9 PolarHBondContact O-N 3.1Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 2.97Å; V9-V13 HydrophobicContact CG1-CG2 4.31Å; V9-V13 WeakPolarHBondContact O-CB 3.39Å; V9-V13 VanDerWaalsContact O-CG2 3.24Å; V9-V13 WeakPolarHBondContact O-CG2 3.08Å; V9-V13 PolarHBondContact O-N 3.12Å
10A76.6Confident66.3Low51 Ų51107.3 Ų107.342%0.42160%0.599SS.*Hα-helixtrans-61-39.1177.200000112.3A6 F7 S14A6-A10 WeakPolarHBondContact O-CB 3.27Å; A6-A10 PolarHBondContact O-N 3.17Å; F7-A10 PolarHBondContact O-N 3.23Å; A10-S14 VanDerWaalsContact O-CB 3.26Å; A10-S14 WeakPolarHBondContact O-CB 3.13Å; A10-S14 PolarHBondContact O-N 3.07Å; A10-S14 PolarHBondContact O-OG 2.7Å
11L76.8Confident66.5Low101 Ų101105.6 Ų105.653%0.52959%0.591SS.*Hα-helixtrans-71.2-39.7179.6-149.3140.9000111.8F7 R8 V9 S14 F15F7-L11 HydrophobicContact CD1-CD1 4.45Å; F7-L11 HydrophobicContact CE1-CD1 3.67Å; F7-L11 HydrophobicContact CZ-CD1 3.74Å; F7-L11 WeakPolarHBondContact O-CB 3.5Å; F7-L11 PolarHBondContact O-N 3.02Å; R8-L11 PolarHBondContact O-N 2.93Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 3.27Å; L11-S14 PolarHBondContact O-N 2.66Å; L11-F15 VanDerWaalsContact O-CB 3.23Å; L11-F15 WeakPolarHBondContact O-CB 3.25Å; L11-F15 PolarHBondContact O-N 3.25Å
12L67.8Low67.6Low118 Ų11898.1 Ų98.162%0.61856%0.559SS**Hα-helixtrans-65.8-42.7173.5-75.3167.9000112.3R8 V9 F15 S16R8-L12 WeakPolarHBondContact O-CB 3.33Å; R8-L12 VanDerWaalsContact O-CG 3.31Å; R8-L12 WeakPolarHBondContact O-CG 3.43Å; R8-L12 PolarHBondContact O-N 3.45Å; V9-L12 PolarHBondContact O-N 2.97Å; L12-F15 PolarHBondContact O-N 3.11Å; L12-S16 VanDerWaalsContact O-CB 3.25Å; L12-S16 WeakPolarHBondContact O-CB 3.27Å; L12-S16 PolarHBondContact O-N 3.25Å
13V75.8Confident68.5Low83 Ų8398.2 Ų98.250%0.50355%0.547SS..Hα-helixtrans-64.9-45.2176.11720000110.3V9 F15 S16 V17V9-V13 HydrophobicContact CG1-CG2 4.31Å; V9-V13 WeakPolarHBondContact O-CB 3.39Å; V9-V13 VanDerWaalsContact O-CG2 3.24Å; V9-V13 WeakPolarHBondContact O-CG2 3.08Å; V9-V13 PolarHBondContact O-N 3.12Å; V13-F15 PolarHBondContact O-N 2.85Å; V13-S16 PolarHBondContact O-N 2.87Å; V13-V17 HydrophobicContact CG1-CG2 4.34Å; V13-V17 WeakPolarHBondContact O-CB 3.24Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.38Å
14S73.6Confident69.3Low76 Ų7695.1 Ų95.153%0.53154%0.535SS..Hα-helixtrans-63.7-41.6178.4-57.60000111.9A10 L11 V17 L18A10-S14 VanDerWaalsContact O-CB 3.26Å; A10-S14 WeakPolarHBondContact O-CB 3.13Å; A10-S14 PolarHBondContact O-N 3.07Å; A10-S14 PolarHBondContact O-OG 2.7Å; L11-S14 PolarHBondContact O-N 2.66Å; S14-V17 PolarHBondContact O-N 2.82Å; S14-L18 VanDerWaalsContact O-CB 3.25Å; S14-L18 WeakPolarHBondContact O-CB 3.18Å; S14-L18 PolarHBondContact O-N 2.89Å
15F75.3Confident69.9Low127 Ų12795.1 Ų95.156%0.55753%0.533SS*.Hα-helixtrans-65.4-41.6175-175.3-104.5000111.9L11 L12 V13 L18 L19L11-F15 VanDerWaalsContact O-CB 3.23Å; L11-F15 WeakPolarHBondContact O-CB 3.25Å; L11-F15 PolarHBondContact O-N 3.25Å; L12-F15 PolarHBondContact O-N 3.11Å; V13-F15 PolarHBondContact O-N 2.85Å; F15-L18 PolarHBondContact O-N 3.41Å; F15-L19 VanDerWaalsContact O-CB 3.23Å; F15-L19 WeakPolarHBondContact O-CB 3.34Å; F15-L19 PolarHBondContact O-N 3.41Å
16S65.8Low70.3Confident64 Ų6493.3 Ų93.345%0.44853%0.526SS..Hα-helixtrans-64.7-43.1176.1177.90000112.2L12 V13 L19 T20L12-S16 VanDerWaalsContact O-CB 3.25Å; L12-S16 WeakPolarHBondContact O-CB 3.27Å; L12-S16 PolarHBondContact O-N 3.25Å; V13-S16 PolarHBondContact O-N 2.87Å; S16-L19 PolarHBondContact O-N 3.47Å; S16-T20 VanDerWaalsContact O-CB 3.3Å; S16-T20 WeakPolarHBondContact O-CB 3.5Å; S16-T20 PolarHBondContact O-N 2.82Å; S16-T20 PolarHBondContact O-OG1 3.4Å
17V72.6Confident70.5Confident83 Ų8393.6 Ų93.650%0.50352%0.517SS..Hα-helixtrans-64.9-45.7175.7171.50000110.4V13 S14 L19 T20 V21V13-V17 HydrophobicContact CG1-CG2 4.34Å; V13-V17 WeakPolarHBondContact O-CB 3.24Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.38Å; S14-V17 PolarHBondContact O-N 2.82Å; V17-L19 PolarHBondContact O-N 3.34Å; V17-T20 PolarHBondContact O-N 3.32Å; V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 WeakPolarHBondContact O-CB 3.24Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.18Å; V17-V21 PolarHBondContact O-N 3.5Å
18L74.6Confident70.4Confident104 Ų10488.3 Ų88.355%0.54550%0.497SS..Hα-helixtrans-58.8-48.1175.9-179.367.9000111.2S14 F15 T20 V21 V22S14-L18 VanDerWaalsContact O-CB 3.25Å; S14-L18 WeakPolarHBondContact O-CB 3.18Å; S14-L18 PolarHBondContact O-N 2.89Å; F15-L18 PolarHBondContact O-N 3.41Å; L18-T20 VanDerWaalsContact C-N 3.31Å; L18-T20 PolarHBondContact O-N 3.5Å; L18-V21 PolarHBondContact O-N 3.09Å; L18-V22 HydrophobicContact CD1-CG2 4.05Å; L18-V22 HydrophobicContact CG-CG2 4.32Å; L18-V22 WeakPolarHBondContact O-CB 3.17Å; L18-V22 VanDerWaalsContact O-CG2 3.22Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å; L18-V22 PolarHBondContact O-N 2.95Å
19L71Confident70.8Confident85 Ų8582.2 Ų82.245%0.44549%0.488SS..Hα-helixtrans-61.4-41.2177.9-164.681000111.1F15 S16 V17 L23F15-L19 VanDerWaalsContact O-CB 3.23Å; F15-L19 WeakPolarHBondContact O-CB 3.34Å; F15-L19 PolarHBondContact O-N 3.41Å; S16-L19 PolarHBondContact O-N 3.47Å; V17-L19 PolarHBondContact O-N 3.34Å; L19-L23 HydrophobicContact CD1-CD1 4.18Å; L19-L23 HydrophobicContact CD2-CD1 4.12Å; L19-L23 HydrophobicContact CG-CD1 3.7Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 WeakPolarHBondContact O-CB 3.24Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 2.8Å
20T69.8Low70.9Confident89 Ų8983 Ų8355%0.54649%0.488SS..Hα-helixtrans-67.8-37.7178.4-55.30000111.9S16 V17 L18 G24S16-T20 VanDerWaalsContact O-CB 3.3Å; S16-T20 WeakPolarHBondContact O-CB 3.5Å; S16-T20 PolarHBondContact O-N 2.82Å; S16-T20 PolarHBondContact O-OG1 3.4Å; V17-T20 PolarHBondContact O-N 3.32Å; L18-T20 VanDerWaalsContact C-N 3.31Å; L18-T20 PolarHBondContact O-N 3.5Å; T20-G24 WeakPolarHBondContact O-CA 3.34Å; T20-G24 PolarHBondContact O-N 2.81Å
21V70.1Confident70.6Confident71 Ų7182.9 Ų82.943%0.4348%0.48SS..Hα-helixtrans-72.5-45.4176.9170.80000110.6V17 L18 G24 F25V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 WeakPolarHBondContact O-CB 3.24Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.18Å; V17-V21 PolarHBondContact O-N 3.5Å; L18-V21 PolarHBondContact O-N 3.09Å; V21-G24 PolarHBondContact O-N 3.5Å; V21-F25 HydrophobicContact CG1-CD2 4.03Å; V21-F25 WeakPolarHBondContact O-CB 3.5Å; V21-F25 WeakPolarHBondContact O-CD2 2.97Å; V21-F25 PolarHBondContact O-N 2.86Å
22V70.1Confident70.5Confident87 Ų8779.7 Ų79.753%0.52746%0.464SS..Iπ-helixtrans-66.6-45.3179.9172.50000111.2L18 G26 L27L18-V22 HydrophobicContact CD1-CG2 4.05Å; L18-V22 HydrophobicContact CG-CG2 4.32Å; L18-V22 WeakPolarHBondContact O-CB 3.17Å; L18-V22 VanDerWaalsContact O-CG2 3.22Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å; L18-V22 PolarHBondContact O-N 2.95Å; V22-G26 WeakPolarHBondContact O-CA 3.39Å; V22-G26 PolarHBondContact O-N 3.39Å; V22-L27 PolarHBondContact O-N 3.42Å
23L66.3Low70.8Confident90 Ų9076.4 Ų76.447%0.47145%0.453SS..Iπ-helixtrans-74.6-36.4175.8-66.4175.1000112.1L19 L27 P28L19-L23 HydrophobicContact CD1-CD1 4.18Å; L19-L23 HydrophobicContact CD2-CD1 4.12Å; L19-L23 HydrophobicContact CG-CD1 3.7Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 WeakPolarHBondContact O-CB 3.24Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 2.8Å; L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 PolarHBondContact O-N 3.3Å; L23-P28 WeakPolarHBondContact O-CD 3.49Å
24G64.9Low70.7Confident43 Ų4376 Ų7644%0.44345%0.448SS..Iπ-helixtrans-72.5-35.4-176.900000113.7T20 V21 P28T20-G24 WeakPolarHBondContact O-CA 3.34Å; T20-G24 PolarHBondContact O-N 2.81Å; V21-G24 PolarHBondContact O-N 3.5Å; G24-P28 WeakPolarHBondContact O-CD 3.22Å; G24-P28 VanDerWaalsContact O-CG 3.25Å; G24-P28 WeakPolarHBondContact O-CG 3.34Å
25F64.9Low70.9Confident164 Ų16474.1 Ų74.172%0.71943%0.431SS*.Iπ-helixtrans-107.2-34.5179.8-66.5-77000113.5V21V21-F25 HydrophobicContact CG1-CD2 4.03Å; V21-F25 WeakPolarHBondContact O-CB 3.5Å; V21-F25 WeakPolarHBondContact O-CD2 2.97Å; V21-F25 PolarHBondContact O-N 2.86Å
26G68.2Low71Confident36 Ų3675.3 Ų75.337%0.37143%0.432SS..Iπ-helixtrans-79.5-40.7-177.300000113.7V22 A29 L30V22-G26 WeakPolarHBondContact O-CA 3.39Å; V22-G26 PolarHBondContact O-N 3.39Å; G26-A29 PolarHBondContact O-N 3.2Å; G26-L30 WeakPolarHBondContact O-CB 3.34Å; G26-L30 PolarHBondContact O-N 3.39Å
27L70.1Confident71.6Confident73 Ų7379.5 Ų79.538%0.38245%0.449SS..Hα-helixtrans-65.3-44-178.6-169.165.9000112.8V22 L23 A29 L30 L31V22-L27 PolarHBondContact O-N 3.42Å; L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 PolarHBondContact O-N 3.3Å; L27-A29 PolarHBondContact O-N 3.29Å; L27-L30 PolarHBondContact O-N 3.26Å; L27-L31 HydrophobicContact CD1-CD1 4.25Å; L27-L31 HydrophobicContact CD1-CG 4.32Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.85Å; L27-L31 HydrophobicContact CG-CG 4.33Å; L27-L31 WeakPolarHBondContact O-CB 3.29Å; L27-L31 VanDerWaalsContact O-CG 3.22Å; L27-L31 WeakPolarHBondContact O-CG 3.25Å; L27-L31 PolarHBondContact O-N 3.05Å
28P71.6Confident72Confident33 Ų3381.4 Ų81.421%0.21446%0.455CS..Hα-helixtrans-64.2-39.6176.1-1829.6000112.7L23 G24 L31 N32 I49L23-P28 WeakPolarHBondContact O-CD 3.49Å; G24-P28 WeakPolarHBondContact O-CD 3.22Å; G24-P28 VanDerWaalsContact O-CG 3.25Å; G24-P28 WeakPolarHBondContact O-CG 3.34Å; P28-L31 PolarHBondContact O-N 3.32Å; P28-N32 VanDerWaalsContact O-CB 3.25Å; P28-N32 WeakPolarHBondContact O-CB 3.39Å; P28-N32 VanDerWaalsContact O-CG 3.29Å; P28-N32 PolarHBondContact O-N 3.06Å; P28-N32 PolarHBondContact O-ND2 3.06Å; P28-N32 VanDerWaalsContact O-ND2 3.09Å; P28-I49 HydrophobicContact CB-CD1 3.8Å; P28-I49 HydrophobicContact CG-CD1 3.8Å
29A71.8Confident72.2Confident61 Ų6179.7 Ų79.750%0.50446%0.463SS..Hα-helixtrans-65-42.7177.900000111.9G26 L27 N32 A33G26-A29 PolarHBondContact O-N 3.2Å; L27-A29 PolarHBondContact O-N 3.29Å; A29-N32 PolarHBondContact O-N 3.11Å; A29-A33 PolarHBondContact O-N 3.18Å
30L71.1Confident72.4Confident104 Ų10479.7 Ų79.755%0.54546%0.463SS..Hα-helixtrans-64.3-46.9175.9-179.665.3000111.8G26 L27 N32 A33 I34G26-L30 WeakPolarHBondContact O-CB 3.34Å; G26-L30 PolarHBondContact O-N 3.39Å; L27-L30 PolarHBondContact O-N 3.26Å; L30-N32 VanDerWaalsContact C-N 3.32Å; L30-N32 PolarHBondContact O-N 3.33Å; L30-A33 WeakPolarHBondContact O-CB 3.28Å; L30-A33 PolarHBondContact O-N 3.44Å; L30-I34 HydrophobicContact CD1-CD1 4.45Å; L30-I34 HydrophobicContact CG-CD1 4.2Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 2.9Å
31L70.7Confident72.8Confident48 Ų4879.1 Ų79.125%0.25146%0.46SS..Hα-helixtrans-64.4-37.5178.1-70.8172.5000111.5L27 P28 I34 M35 V45 I49L27-L31 HydrophobicContact CD1-CD1 4.25Å; L27-L31 HydrophobicContact CD1-CG 4.32Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.85Å; L27-L31 HydrophobicContact CG-CG 4.33Å; L27-L31 WeakPolarHBondContact O-CB 3.29Å; L27-L31 VanDerWaalsContact O-CG 3.22Å; L27-L31 WeakPolarHBondContact O-CG 3.25Å; L27-L31 PolarHBondContact O-N 3.05Å; P28-L31 PolarHBondContact O-N 3.32Å; L31-I34 PolarHBondContact O-N 3.48Å; L31-M35 WeakPolarHBondContact O-CG 3.4Å; L31-M35 PolarHBondContact O-N 3.04Å; L31-V45 HydrophobicContact CB-CB 4.47Å; L31-V45 HydrophobicContact CB-CG1 3.49Å; L31-V45 VanDerWaalsContact CB-CG1 3.49Å; L31-V45 HydrophobicContact CB-CG2 4.15Å; L31-V45 HydrophobicContact CD1-CG1 4.33Å; L31-I49 HydrophobicContact CD1-CD1 4.01Å; L31-I49 HydrophobicContact CD1-CG1 3.84Å
32N73.9Confident72.7Confident34 Ų3480.2 Ų80.218%0.18246%0.461CS..Hα-helixtrans-62.9-41.7173.2-83.6-39000112.1P28 A29 L30 I34 M35 R36 E42 V45P28-N32 VanDerWaalsContact O-CB 3.25Å; P28-N32 WeakPolarHBondContact O-CB 3.39Å; P28-N32 VanDerWaalsContact O-CG 3.29Å; P28-N32 PolarHBondContact O-N 3.06Å; P28-N32 PolarHBondContact O-ND2 3.06Å; P28-N32 VanDerWaalsContact O-ND2 3.09Å; A29-N32 PolarHBondContact O-N 3.11Å; L30-N32 VanDerWaalsContact C-N 3.32Å; L30-N32 PolarHBondContact O-N 3.33Å; N32-I34 VanDerWaalsContact C-N 3.34Å; N32-I34 PolarHBondContact O-N 3.3Å; N32-M35 PolarHBondContact O-N 3.23Å; N32-R36 WeakPolarHBondContact O-CB 3.42Å; N32-R36 WeakPolarHBondContact O-CG 2.78Å; N32-R36 PolarHBondContact O-N 3.01Å; N32-E42 PolarHBondContact OD1-O 3.21Å; N32-V45 HydrophobicContact CB-CG2 4.4Å; N32-V45 WeakPolarHBondContact OD1-CB 3.5Å; N32-V45 WeakPolarHBondContact OD1-CG2 3.48Å
33A75.1Confident72.6Confident49 Ų4980.4 Ų80.441%0.40546%0.463SS..Hα-helixtrans-62.5-40.6175.300000112.1A29 L30 L37A29-A33 PolarHBondContact O-N 3.18Å; L30-A33 WeakPolarHBondContact O-CB 3.28Å; L30-A33 PolarHBondContact O-N 3.44Å; A33-L37 PolarHBondContact O-N 3.45Å
34I73.9Confident72.7Confident76 Ų7677.4 Ų77.439%0.3945%0.449SS..Hα-helixtrans-67.7-44.5177.1-66.1167.1000111.4L30 L31 N32 R36 L37 L38L30-I34 HydrophobicContact CD1-CD1 4.45Å; L30-I34 HydrophobicContact CG-CD1 4.2Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 2.9Å; L31-I34 PolarHBondContact O-N 3.48Å; N32-I34 VanDerWaalsContact C-N 3.34Å; N32-I34 PolarHBondContact O-N 3.3Å; I34-R36 VanDerWaalsContact C-N 3.33Å; I34-R36 PolarHBondContact O-N 3.46Å; I34-L37 WeakPolarHBondContact O-CB 3.07Å; I34-L37 PolarHBondContact O-N 2.88Å; I34-L38 HydrophobicContact CG2-CD1 4.04Å; I34-L38 WeakPolarHBondContact O-CG 3.43Å; I34-L38 PolarHBondContact O-N 3.49Å
35M76.4Confident73Confident35 Ų3575.4 Ų75.417%0.17243%0.428CS..Hα-helixtrans-64.4-37.8177.5-71-57.8-165.700112.1L31 N32 L38 G39 L40 V45L31-M35 WeakPolarHBondContact O-CG 3.4Å; L31-M35 PolarHBondContact O-N 3.04Å; N32-M35 PolarHBondContact O-N 3.23Å; M35-L38 CarbonylContact O-C 3.5Å; M35-L38 PolarHBondContact O-N 2.91Å; M35-L38 VanDerWaalsContact O-N 3.11Å; M35-G39 PolarHBondContact O-N 3.45Å; M35-L40 HydrophobicContact CB-CB 4.22Å; M35-L40 PolarHBondContact O-N 2.61Å; M35-L40 HydrophobicContact SD-CB 4.16Å; M35-L40 HydrophobicContact SD-CD1 3.52Å; M35-L40 VanDerWaalsContact SD-CD1 3.52Å; M35-L40 HydrophobicContact SD-CG 4.46Å; M35-V45 HydrophobicContact CB-CG2 3.94Å; M35-V45 HydrophobicContact CG-CG2 3.36Å
36R77.5Confident73.2Confident153 Ų15371.8 Ų71.858%0.57742%0.42SS*.Hα-helixtrans-60.9-42.6171.6-77.2179.7179.8174.95112N32 I34 L38 G39 E42N32-R36 WeakPolarHBondContact O-CB 3.42Å; N32-R36 WeakPolarHBondContact O-CG 2.78Å; N32-R36 PolarHBondContact O-N 3.01Å; I34-R36 VanDerWaalsContact C-N 3.33Å; I34-R36 PolarHBondContact O-N 3.46Å; R36-L38 PolarHBondContact O-N 2.82Å; R36-G39 PolarHBondContact O-N 2.86Å; R36-E42 HydrophobicContact CG-CG 4.36Å; R36-E42 IonicContact CZ-OE1 3.13Å; R36-E42 IonicContact CZ-OE2 3.29Å; R36-E42 IonicContact NE-OE1 2.75Å; R36-E42 PolarHBondContact NE-OE1 2.97Å; R36-E42 IonicContact NH2-OE1 3.32Å; R36-E42 PolarHBondContact NH2-OE1 3.41Å; R36-E42 IonicContact NH2-OE2 2.96Å; R36-E42 PolarHBondContact NH2-OE2 3.41Å; R36-E42 VanDerWaalsContact NH2-OE2 3.07Å
37L79.9Confident73.4Confident152 Ų15275.8 Ų75.880%0.79643%0.429SS*.Hα-helixtrans-60.5-30.2173.8-90.3156.6000112.6A33 I34A33-L37 PolarHBondContact O-N 3.45Å; I34-L37 WeakPolarHBondContact O-CB 3.07Å; I34-L37 PolarHBondContact O-N 2.88Å
38L79.2Confident73.6Confident122 Ų12274.8 Ų74.864%0.63943%0.427SS*.THydrogen-bonded Turntrans-92.90.5178.6-63.8172.3000113.9I34 M35 R36 L40I34-L38 HydrophobicContact CG2-CD1 4.04Å; I34-L38 WeakPolarHBondContact O-CG 3.43Å; I34-L38 PolarHBondContact O-N 3.49Å; M35-L38 CarbonylContact O-C 3.5Å; M35-L38 PolarHBondContact O-N 2.91Å; M35-L38 VanDerWaalsContact O-N 3.11Å; R36-L38 PolarHBondContact O-N 2.82Å; L38-L40 HydrophobicContact CB-CD1 4.47Å
39G80.3Confident73.8Confident69 Ų6975.6 Ų75.671%0.71143%0.429SS*.THydrogen-bonded Turntrans75.119.5179.200000115.4M35 R36M35-G39 PolarHBondContact O-N 3.45Å; R36-G39 PolarHBondContact O-N 2.86Å
40L75.2Confident74Confident85 Ų8577 Ų7745%0.44543%0.432SS..  trans-96151-179.2-66.8171.7000112.1M35 L38M35-L40 HydrophobicContact CB-CB 4.22Å; M35-L40 PolarHBondContact O-N 2.61Å; M35-L40 HydrophobicContact SD-CB 4.16Å; M35-L40 HydrophobicContact SD-CD1 3.52Å; M35-L40 VanDerWaalsContact SD-CD1 3.52Å; M35-L40 HydrophobicContact SD-CG 4.46Å; L38-L40 HydrophobicContact CB-CD1 4.47Å
41P78Confident74.2Confident76 Ų7676.8 Ų76.849%0.49443%0.434SS..  trans-62.7145.2178.3-18.530.7000113.1T43 S44P41-T43 VanDerWaalsContact C-N 3.28Å; P41-T43 PolarHBondContact O-N 3.25Å; P41-S44 WeakPolarHBondContact O-CB 3.5Å; P41-S44 PolarHBondContact O-N 3.26Å; P41-S44 VanDerWaalsContact O-N 3.1Å; P41-S44 PolarHBondContact O-OG 3.32Å
42E67.8Low74.5Confident94 Ų9479.9 Ų79.944%0.43945%0.45SS..THydrogen-bonded Turntrans-64.9-28.6179.5-73172.4-145.100113.8N32 R36 S44 V45N32-E42 PolarHBondContact OD1-O 3.21Å; R36-E42 HydrophobicContact CG-CG 4.36Å; R36-E42 IonicContact CZ-OE1 3.13Å; R36-E42 IonicContact CZ-OE2 3.29Å; R36-E42 IonicContact NE-OE1 2.75Å; R36-E42 PolarHBondContact NE-OE1 2.97Å; R36-E42 IonicContact NH2-OE1 3.32Å; R36-E42 PolarHBondContact NH2-OE1 3.41Å; R36-E42 IonicContact NH2-OE2 2.96Å; R36-E42 PolarHBondContact NH2-OE2 3.41Å; R36-E42 VanDerWaalsContact NH2-OE2 3.07Å; E42-S44 PolarHBondContact O-N 3.28Å; E42-V45 PolarHBondContact O-N 2.84Å; E42-V45 VanDerWaalsContact O-N 3.11Å
43T68Low74.7Confident92 Ų9285.6 Ų85.656%0.56447%0.47SS*.Hα-helixtrans-59.8-26.817552.10000112.2P41 V45 T46 E47P41-T43 VanDerWaalsContact C-N 3.28Å; P41-T43 PolarHBondContact O-N 3.25Å; T43-V45 PolarHBondContact O-N 3.48Å; T43-T46 PolarHBondContact O-N 2.79Å; T43-E47 WeakPolarHBondContact O-CG 3.25Å; T43-E47 PolarHBondContact O-N 3.42Å
44S68.8Low74.6Confident27 Ų2785.4 Ų85.419%0.18947%0.468CS..Hα-helixtrans-64.3-25177.9-56.30000113P41 E42 C48P41-S44 WeakPolarHBondContact O-CB 3.5Å; P41-S44 PolarHBondContact O-N 3.26Å; P41-S44 VanDerWaalsContact O-N 3.1Å; P41-S44 PolarHBondContact O-OG 3.32Å; E42-S44 PolarHBondContact O-N 3.28Å; S44-C48 VanDerWaalsContact O-CB 3.24Å; S44-C48 WeakPolarHBondContact O-CB 3.28Å; S44-C48 PolarHBondContact O-N 3.48Å; S44-C48 PolarHBondContact O-SG 3.38Å
45V70.1Confident74.8Confident1 Ų184.4 Ų84.41%0.00647%0.472CS..Hα-helixtrans-74.5-46.8179.5172.40000112.2L31 N32 M35 E42 T43 E47 C48 I49L31-V45 HydrophobicContact CB-CB 4.47Å; L31-V45 HydrophobicContact CB-CG1 3.49Å; L31-V45 VanDerWaalsContact CB-CG1 3.49Å; L31-V45 HydrophobicContact CB-CG2 4.15Å; L31-V45 HydrophobicContact CD1-CG1 4.33Å; N32-V45 HydrophobicContact CB-CG2 4.4Å; N32-V45 WeakPolarHBondContact OD1-CB 3.5Å; N32-V45 WeakPolarHBondContact OD1-CG2 3.48Å; M35-V45 HydrophobicContact CB-CG2 3.94Å; M35-V45 HydrophobicContact CG-CG2 3.36Å; E42-V45 PolarHBondContact O-N 2.84Å; E42-V45 VanDerWaalsContact O-N 3.11Å; T43-V45 PolarHBondContact O-N 3.48Å; V45-E47 VanDerWaalsContact C-N 3.28Å; V45-E47 PolarHBondContact O-N 2.83Å; V45-C48 PolarHBondContact O-N 2.81Å; V45-I49 HydrophobicContact CG1-CD1 3.8Å; V45-I49 HydrophobicContact CG1-CG1 4.38Å; V45-I49 VanDerWaalsContact O-CG1 3.27Å; V45-I49 WeakPolarHBondContact O-CG1 3.33Å; V45-I49 PolarHBondContact O-N 3.24Å
46T69.8Low74.9Confident88 Ų8888.5 Ų88.554%0.5449%0.489SS..Hα-helixtrans-61.8-41.8176.4-55.40000110.2T43 I49 V50T43-T46 PolarHBondContact O-N 2.79Å; T46-I49 PolarHBondContact O-N 3.14Å; T46-V50 WeakPolarHBondContact O-CB 3.15Å; T46-V50 VanDerWaalsContact O-CG2 3.27Å; T46-V50 WeakPolarHBondContact O-CG2 3.1Å; T46-V50 PolarHBondContact O-N 3.49Å
47E72.8Confident74.7Confident120 Ų12084.2 Ų84.256%0.56148%0.479SS*.Hα-helixtrans-61.4-46.1173.9-69.9170.1-176.300112T43 V45 I49 V50 V51T43-E47 WeakPolarHBondContact O-CG 3.25Å; T43-E47 PolarHBondContact O-N 3.42Å; V45-E47 VanDerWaalsContact C-N 3.28Å; V45-E47 PolarHBondContact O-N 2.83Å; E47-I49 PolarHBondContact O-N 2.87Å; E47-V50 PolarHBondContact O-N 3.46Å; E47-V51 WeakPolarHBondContact O-CB 3.12Å; E47-V51 VanDerWaalsContact O-CG2 3.31Å; E47-V51 WeakPolarHBondContact O-CG2 3.42Å; E47-V51 PolarHBondContact O-N 3.31Å
48C73.4Confident74.3Confident52 Ų5282.2 Ų82.235%0.35147%0.469SS..Hα-helixtrans-60.9-43.6175.5-77.80000112.4S44 V45 V51 I52S44-C48 VanDerWaalsContact O-CB 3.24Å; S44-C48 WeakPolarHBondContact O-CB 3.28Å; S44-C48 PolarHBondContact O-N 3.48Å; S44-C48 PolarHBondContact O-SG 3.38Å; V45-C48 PolarHBondContact O-N 2.81Å; C48-V51 PolarHBondContact O-N 2.8Å; C48-I52 WeakPolarHBondContact O-CB 3.37Å; C48-I52 WeakPolarHBondContact O-CD1 3.49Å; C48-I52 WeakPolarHBondContact O-CG1 3.39Å; C48-I52 PolarHBondContact O-N 3.37Å
49I76.8Confident74Confident49 Ų4983.5 Ų83.525%0.25147%0.466SS..Hα-helixtrans-63.3-44.2177.9-69.5169000110.3P28 L31 V45 T46 E47 V51 I52 Y53P28-I49 HydrophobicContact CB-CD1 3.8Å; P28-I49 HydrophobicContact CG-CD1 3.8Å; L31-I49 HydrophobicContact CD1-CD1 4.01Å; L31-I49 HydrophobicContact CD1-CG1 3.84Å; V45-I49 HydrophobicContact CG1-CD1 3.8Å; V45-I49 HydrophobicContact CG1-CG1 4.38Å; V45-I49 VanDerWaalsContact O-CG1 3.27Å; V45-I49 WeakPolarHBondContact O-CG1 3.33Å; V45-I49 PolarHBondContact O-N 3.24Å; T46-I49 PolarHBondContact O-N 3.14Å; E47-I49 PolarHBondContact O-N 2.87Å; I49-V51 PolarHBondContact O-N 3.49Å; I49-I52 PolarHBondContact O-N 3.06Å; I49-Y53 WeakPolarHBondContact O-CB 3.42Å; I49-Y53 PolarHBondContact O-N 3.01Å
50V75Confident73.4Confident92 Ų9283.2 Ų83.256%0.55845%0.45SS*.Hα-helixtrans-62.5-43.1177170.80000110.8T46 E47 Y53 A54T46-V50 WeakPolarHBondContact O-CB 3.15Å; T46-V50 VanDerWaalsContact O-CG2 3.27Å; T46-V50 WeakPolarHBondContact O-CG2 3.1Å; T46-V50 PolarHBondContact O-N 3.49Å; E47-V50 PolarHBondContact O-N 3.46Å; V50-Y53 PolarHBondContact O-N 2.92Å; V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 2.87Å
51V75.1Confident72.8Confident99 Ų9980.5 Ų80.560%0.644%0.441SS*.Hα-helixtrans-65.5-45.2177170.90000111.6E47 C48 I49 A54 A55E47-V51 WeakPolarHBondContact O-CB 3.12Å; E47-V51 VanDerWaalsContact O-CG2 3.31Å; E47-V51 WeakPolarHBondContact O-CG2 3.42Å; E47-V51 PolarHBondContact O-N 3.31Å; C48-V51 PolarHBondContact O-N 2.8Å; I49-V51 PolarHBondContact O-N 3.49Å; V51-A54 PolarHBondContact O-N 2.75Å; V51-A55 VanDerWaalsContact O-CB 3.24Å; V51-A55 WeakPolarHBondContact O-CB 3.13Å; V51-A55 PolarHBondContact O-N 3.13Å
52I78.1Confident72.1Confident112 Ų11280.2 Ų80.257%0.57444%0.437SS*.Hα-helixtrans-63.3-44.4177.6-70.4166.1000110.3C48 I49 A55 F56C48-I52 WeakPolarHBondContact O-CB 3.37Å; C48-I52 WeakPolarHBondContact O-CD1 3.49Å; C48-I52 WeakPolarHBondContact O-CG1 3.39Å; C48-I52 PolarHBondContact O-N 3.37Å; I49-I52 PolarHBondContact O-N 3.06Å; I52-A55 PolarHBondContact O-N 3.25Å; I52-F56 VanDerWaalsContact O-CB 3.29Å; I52-F56 WeakPolarHBondContact O-CB 3.24Å; I52-F56 PolarHBondContact O-N 3.44Å
53Y77.4Confident71.8Confident155 Ų15579.7 Ų79.761%0.60844%0.442SS*.Hα-helixtrans-66.3-43.3177.8-175-102.9000111.5I49 V50 A55 F56 V57I49-Y53 WeakPolarHBondContact O-CB 3.42Å; I49-Y53 PolarHBondContact O-N 3.01Å; V50-Y53 PolarHBondContact O-N 2.92Å; Y53-A55 PolarHBondContact O-N 3.33Å; Y53-F56 PolarHBondContact O-N 3.23Å; Y53-V57 HydrophobicContact CD1-CG2 4.03Å; Y53-V57 HydrophobicContact CE1-CG2 3.65Å; Y53-V57 HydrophobicContact CE2-CG2 4.22Å; Y53-V57 HydrophobicContact CG-CG2 4.47Å; Y53-V57 WeakPolarHBondContact O-CB 3.39Å; Y53-V57 VanDerWaalsContact O-CG2 3.28Å; Y53-V57 WeakPolarHBondContact O-CG2 3.19Å; Y53-V57 PolarHBondContact O-N 3.47Å
54A74.3Confident71.5Confident45 Ų4584.6 Ų84.637%0.37245%0.45SS..Hα-helixtrans-62.1-42.9174.600000111.6V50 V51 V57 L58V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 2.87Å; V51-A54 PolarHBondContact O-N 2.75Å; A54-V57 PolarHBondContact O-N 3.38Å; A54-L58 WeakPolarHBondContact O-CB 3.09Å; A54-L58 VanDerWaalsContact O-CG 3.24Å; A54-L58 WeakPolarHBondContact O-CG 3.12Å; A54-L58 PolarHBondContact O-N 3.07Å
55A77.3Confident71.5Confident55 Ų5589.2 Ų89.246%0.45547%0.467SS..Hα-helixtrans-63-42.3174.800000111.8V51 I52 Y53 L58 Y59V51-A55 VanDerWaalsContact O-CB 3.24Å; V51-A55 WeakPolarHBondContact O-CB 3.13Å; V51-A55 PolarHBondContact O-N 3.13Å; I52-A55 PolarHBondContact O-N 3.25Å; Y53-A55 PolarHBondContact O-N 3.33Å; A55-L58 PolarHBondContact O-N 3.14Å; A55-Y59 VanDerWaalsContact O-CB 3.25Å; A55-Y59 WeakPolarHBondContact O-CB 3.11Å; A55-Y59 PolarHBondContact O-N 3.41Å
56F77.4Confident71.7Confident121 Ų12194.5 Ų94.553%0.53150%0.502SS..Hα-helixtrans-63.1-46.9174.5174.7-101000111.9I52 Y53 L58 Y59 V60I52-F56 VanDerWaalsContact O-CB 3.29Å; I52-F56 WeakPolarHBondContact O-CB 3.24Å; I52-F56 PolarHBondContact O-N 3.44Å; Y53-F56 PolarHBondContact O-N 3.23Å; F56-L58 PolarHBondContact O-N 2.78Å; F56-Y59 WeakPolarHBondContact O-CB 3.37Å; F56-Y59 PolarHBondContact O-N 2.81Å; F56-V60 HydrophobicContact CD1-CG2 4.36Å; F56-V60 HydrophobicContact CD2-CG2 4.18Å; F56-V60 HydrophobicContact CE1-CG2 3.96Å; F56-V60 HydrophobicContact CE2-CG2 3.76Å; F56-V60 HydrophobicContact CG-CG2 4.47Å; F56-V60 HydrophobicContact CZ-CG2 3.65Å; F56-V60 WeakPolarHBondContact O-CB 3.43Å; F56-V60 WeakPolarHBondContact O-CG2 3.38Å; F56-V60 PolarHBondContact O-N 3.43Å
57V73.3Confident72.5Confident63 Ų6392.6 Ų92.638%0.38248%0.484SS..Hα-helixtrans-61.6-43.8176.7169.90000110.7Y53 A54 V60 A61Y53-V57 HydrophobicContact CD1-CG2 4.03Å; Y53-V57 HydrophobicContact CE1-CG2 3.65Å; Y53-V57 HydrophobicContact CE2-CG2 4.22Å; Y53-V57 HydrophobicContact CG-CG2 4.47Å; Y53-V57 WeakPolarHBondContact O-CB 3.39Å; Y53-V57 VanDerWaalsContact O-CG2 3.28Å; Y53-V57 WeakPolarHBondContact O-CG2 3.19Å; Y53-V57 PolarHBondContact O-N 3.47Å; A54-V57 PolarHBondContact O-N 3.38Å; V57-V60 PolarHBondContact O-N 3.42Å; V57-A61 WeakPolarHBondContact O-CB 3Å; V57-A61 PolarHBondContact O-N 3.07Å
58L72.6Confident73.3Confident109 Ų10988.8 Ų88.857%0.57148%0.478SS*.Hα-helixtrans-62.5-42.2175.3-74.5170000111.7A54 A55 F56 A61 T62A54-L58 WeakPolarHBondContact O-CB 3.09Å; A54-L58 VanDerWaalsContact O-CG 3.24Å; A54-L58 WeakPolarHBondContact O-CG 3.12Å; A54-L58 PolarHBondContact O-N 3.07Å; A55-L58 PolarHBondContact O-N 3.14Å; F56-L58 PolarHBondContact O-N 2.78Å; L58-A61 CarbonylContact O-C 3.44Å; L58-A61 PolarHBondContact O-N 3.32Å; L58-T62 PolarHBondContact O-N 3.14Å; L58-T62 PolarHBondContact O-OG1 3.22Å
59Y73.2Confident74.2Confident149 Ų14990.6 Ų90.658%0.58449%0.491SS*.Hα-helixtrans-63.8-43.6175.4178.1-98.1000112.2A55 F56 A61 T62 P63A55-Y59 VanDerWaalsContact O-CB 3.25Å; A55-Y59 WeakPolarHBondContact O-CB 3.11Å; A55-Y59 PolarHBondContact O-N 3.41Å; F56-Y59 WeakPolarHBondContact O-CB 3.37Å; F56-Y59 PolarHBondContact O-N 2.81Å; Y59-A61 VanDerWaalsContact C-N 3.31Å; Y59-A61 PolarHBondContact O-N 2.91Å; Y59-T62 VanDerWaalsContact C-OG1 3.3Å; Y59-T62 WeakPolarHBondContact CA-OG1 3.35Å; Y59-T62 PolarHBondContact O-N 3.21Å; Y59-T62 PolarHBondContact O-OG1 3.37Å; Y59-P63 WeakPolarHBondContact O-CD 3.42Å
60V67.1Low75Confident63 Ų6389.6 Ų89.638%0.38249%0.487SS..Hα-helixtrans-71.8-27.3176.21740000111.9F56 V57 P63F56-V60 HydrophobicContact CD1-CG2 4.36Å; F56-V60 HydrophobicContact CD2-CG2 4.18Å; F56-V60 HydrophobicContact CE1-CG2 3.96Å; F56-V60 HydrophobicContact CE2-CG2 3.76Å; F56-V60 HydrophobicContact CG-CG2 4.47Å; F56-V60 HydrophobicContact CZ-CG2 3.65Å; F56-V60 WeakPolarHBondContact O-CB 3.43Å; F56-V60 WeakPolarHBondContact O-CG2 3.38Å; F56-V60 PolarHBondContact O-N 3.43Å; V57-V60 PolarHBondContact O-N 3.42Å; V60-P63 WeakPolarHBondContact O-CD 3.44Å
61A63.2Low75.9Confident29 Ų2991.5 Ų91.524%0.2449%0.49CS..Hα-helixtrans-82.5-24.2176.300000112.9V57 L58 Y59 P63 R64V57-A61 WeakPolarHBondContact O-CB 3Å; V57-A61 PolarHBondContact O-N 3.07Å; L58-A61 CarbonylContact O-C 3.44Å; L58-A61 PolarHBondContact O-N 3.32Å; Y59-A61 VanDerWaalsContact C-N 3.31Å; Y59-A61 PolarHBondContact O-N 2.91Å; A61-P63 VanDerWaalsContact C-CD 3.45Å; A61-P63 VanDerWaalsContact C-N 3.31Å; A61-R64 WeakPolarHBondContact O-CB 3.27Å; A61-R64 PolarHBondContact O-N 3.35Å
62T63.2Low76.8Confident70 Ų7088.6 Ų88.643%0.42947%0.472SS..G310 helixtrans-51.5-39.1-17924.40000115.1L58 Y59 R64 F65L58-T62 PolarHBondContact O-N 3.14Å; L58-T62 PolarHBondContact O-OG1 3.22Å; Y59-T62 VanDerWaalsContact C-OG1 3.3Å; Y59-T62 WeakPolarHBondContact CA-OG1 3.35Å; Y59-T62 PolarHBondContact O-N 3.21Å; Y59-T62 PolarHBondContact O-OG1 3.37Å; T62-R64 PolarHBondContact O-N 3.42Å; T62-R64 VanDerWaalsContact O-N 3.14Å; T62-F65 PolarHBondContact O-N 3.31Å
63P62Low77.3Confident82 Ų8290.9 Ų90.953%0.53248%0.478SS..G310 helixtrans-59.8-21.6174.7-26.335000115.6Y59 V60 A61 Y331Y59-P63 WeakPolarHBondContact O-CD 3.42Å; V60-P63 WeakPolarHBondContact O-CD 3.44Å; A61-P63 VanDerWaalsContact C-CD 3.45Å; A61-P63 VanDerWaalsContact C-N 3.31Å; P63-Y331 VanDerWaalsContact CA-OH 3.27Å; P63-Y331 WeakPolarHBondContact CA-OH 3.36Å
64R60.1Low77.8Confident195 Ų19584.9 Ų84.974%0.73646%0.463SS*.G310 helixtrans-92.8-9.8-174.1-61.6-169.1172.895.1-2.3114.2A61 T62A61-R64 WeakPolarHBondContact O-CB 3.27Å; A61-R64 PolarHBondContact O-N 3.35Å; T62-R64 PolarHBondContact O-N 3.42Å; T62-R64 VanDerWaalsContact O-N 3.14Å
65F69.4Low78.9Confident125 Ų12583.8 Ų83.855%0.54845%0.45SS..SBendtrans-70.2132.5176.1-73.6-69.7000110.4T62 R67T62-F65 PolarHBondContact O-N 3.31Å; F65-R67 WeakPolarHBondContact O-CG 3.36Å; F65-R67 PolarHBondContact O-N 2.98Å
66P73.5Confident79.8Confident112 Ų11281.4 Ų81.473%0.72743%0.431SS*.  trans-63.3111.6178.222.7-30.6000110.1G68P66-G68 VanDerWaalsContact C-N 3.31Å
67R87.4Confident80.9Confident47 Ų4775.7 Ų75.718%0.17741%0.405CS..  trans-82.9-13.2179.8-67.6174.5-57.6123.2-2.6112.4F65 D323 S327 K328 R329 Y331 Y334F65-R67 WeakPolarHBondContact O-CG 3.36Å; F65-R67 PolarHBondContact O-N 2.98Å; R67-D323 IonicContact CZ-OD1 3.55Å; R67-D323 IonicContact CZ-OD2 2.78Å; R67-D323 IonicContact NH1-OD1 2.7Å; R67-D323 IonicContact NH1-OD2 2.66Å; R67-D323 PolarHBondContact NH1-OD2 2.9Å; R67-D323 IonicContact NH2-OD1 2.75Å; R67-D323 PolarHBondContact NH2-OD1 2.69Å; R67-D323 IonicContact NH2-OD2 3.42Å; R67-D323 PolarHBondContact NH2-OD2 2.94Å; R67-S327 WeakPolarHBondContact CB-OG 2.96Å; R67-K328 WeakPolarHBondContact O-CB 3.41Å; R67-R329 HydrophobicContact CB-CB 4.13Å; R67-R329 VanDerWaalsContact CD-O 3.28Å; R67-R329 WeakPolarHBondContact CD-O 3.35Å; R67-R329 HydrophobicContact CG-CB 4.35Å; R67-R329 PolarHBondContact NH1-O 3.11Å; R67-Y331 WeakPolarHBondContact CD-OH 3.02Å; R67-Y331 VanDerWaalsContact CZ-CZ 3.44Å; R67-Y331 VanDerWaalsContact NE-CZ 3.33Å; R67-Y331 PolarHBondContact NE-OH 3.49Å; R67-Y334 PolarHBondContact NH1-OH 3.17Å
68G88.9Confident82.1Confident41 Ų4172.8 Ų72.842%0.42339%0.388SS..  trans71.5156.618000000112.5P66 S327 K328P66-G68 VanDerWaalsContact C-N 3.31Å; G68-S327 CarbonylContact O-C 3.58Å; G68-S327 WeakPolarHBondContact O-CA 3.14Å; G68-K328 PolarHBondContact O-N 3.27Å
69S92.5Very high83.3Confident89 Ų8967.6 Ų67.662%0.62236%0.361SS*.BIsolated β-bridgetrans-111151.9177.654.60000112.2G326 K328S69-G326 CarbonylContact C-O 3.57Å; S69-G326 VanDerWaalsContact CA-O 3.27Å; S69-G326 WeakPolarHBondContact CA-O 3.42Å; S69-K328 WeakPolarHBondContact O-CE 3.43Å
70V94.4Very high84.6Confident28 Ų2860.7 Ų60.717%0.1733%0.334CS..  trans-84.8154.5167.1-570000109.8V72 K75 W158 G326 K328V70-V72 PolarHBondContact O-N 3.21Å; V70-K75 HydrophobicContact CG2-CD 4.08Å; V70-W158 HydrophobicContact CB-CZ2 4.34Å; V70-W158 HydrophobicContact CG1-CH2 4.19Å; V70-W158 HydrophobicContact CG1-CZ2 4.11Å; V70-W158 HydrophobicContact CG2-CH2 4.37Å; V70-W158 HydrophobicContact CG2-CZ2 3.66Å; V70-G326 WeakPolarHBondContact CG2-O 3.26Å; V70-G326 PolarHBondContact N-O 2.9Å; V70-K328 HydrophobicContact CG1-CG 4.11Å
71E93.6Very high86Confident132 Ų13258.5 Ų58.562%0.61732%0.324SS*.  trans-66.5130.4171.7-175.4-174.6-178.200110.4K73 K75E71-K73 HydrophobicContact CG-CB 4.18Å; E71-K75 WeakPolarHBondContact O-CD 3.49Å; E71-K75 WeakPolarHBondContact O-CE 3.38Å
72V93.2Very high87.7Confident38 Ų3857.1 Ų57.123%0.2331%0.313CS..  trans-75.7-31.7-178177.80000112.8V70 G74 K75 L97 G98 Y99V70-V72 PolarHBondContact O-N 3.21Å; V72-G74 PolarHBondContact O-N 2.78Å; V72-K75 VanDerWaalsContact O-CB 3.26Å; V72-K75 WeakPolarHBondContact O-CB 3.43Å; V72-K75 PolarHBondContact O-N 3.23Å; V72-L97 WeakPolarHBondContact CG1-O 3.27Å; V72-G98 VanDerWaalsContact CG1-C 3.48Å; V72-Y99 HydrophobicContact CB-CE1 4.48Å; V72-Y99 HydrophobicContact CB-CE2 4.49Å; V72-Y99 HydrophobicContact CG1-CD1 3.79Å; V72-Y99 HydrophobicContact CG1-CD2 3.7Å; V72-Y99 HydrophobicContact CG1-CE1 3.85Å; V72-Y99 HydrophobicContact CG1-CE2 3.76Å; V72-Y99 HydrophobicContact CG1-CG 3.72Å; V72-Y99 HydrophobicContact CG2-CE1 4.45Å; V72-Y99 HydrophobicContact CG2-CE2 3.97Å
73K89.5Confident89.4Confident160 Ų16054.9 Ų54.970%0.69630%0.298SS*.THydrogen-bonded Turntrans-56.1127-170.8-170.9177.5178.6-179.80112.5E71 K75E71-K73 HydrophobicContact CG-CB 4.18Å; K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 3Å
74G88.7Confident91.1Very high30 Ų3055.5 Ų55.531%0.30930%0.3SS..THydrogen-bonded Turntrans71.919.7179.400000114.3V72V72-G74 PolarHBondContact O-N 2.78Å
75K95.8Very high92.8Very high22 Ų2246.8 Ų46.810%0.09627%0.272CS..  trans-100.2127.3173.5-67.4-176.3176.4-64.60110.7V70 E71 V72 K73 Y99 T100 W158V70-K75 HydrophobicContact CG2-CD 4.08Å; E71-K75 WeakPolarHBondContact O-CD 3.49Å; E71-K75 WeakPolarHBondContact O-CE 3.38Å; V72-K75 VanDerWaalsContact O-CB 3.26Å; V72-K75 WeakPolarHBondContact O-CB 3.43Å; V72-K75 PolarHBondContact O-N 3.23Å; K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 3Å; K75-Y99 HydrophobicContact CB-CD1 3.77Å; K75-Y99 HydrophobicContact CB-CE1 3.85Å; K75-Y99 HydrophobicContact CD-CE1 4.26Å; K75-T100 PolarHBondContact O-N 3.35Å; K75-W158 HydrophobicContact CB-CB 3.7Å; K75-W158 HydrophobicContact CB-CG 3.76Å; K75-W158 HydrophobicContact CD-CB 4.42Å; K75-W158 HydrophobicContact CD-CD2 3.62Å; K75-W158 HydrophobicContact CD-CE3 4.24Å; K75-W158 HydrophobicContact CD-CG 3.67Å; K75-W158 HydrophobicContact CD-CZ2 4.29Å; K75-W158 HydrophobicContact CG-CB 4.05Å; K75-W158 HydrophobicContact CG-CD2 4.14Å; K75-W158 HydrophobicContact CG-CG 3.86Å; K75-W158 VanDerWaalsContact NZ-CD2 3.33Å
76A97.8Very high94.2Very high5 Ų541.9 Ų41.94%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-107140177.800000112.6T100 F102 L150 L157 W158 A159A76-T100 CarbonylContact C-O 3.59Å; A76-T100 WeakPolarHBondContact CA-O 3.26Å; A76-T100 HydrophobicContact CB-CG2 4.31Å; A76-F102 HydrophobicContact CB-CD2 4.25Å; A76-F102 HydrophobicContact CB-CE2 3.86Å; A76-L150 HydrophobicContact CB-CD2 3.5Å; A76-L150 VanDerWaalsContact CB-CD2 3.5Å; A76-L157 HydrophobicContact CB-CD1 3.97Å; A76-L157 VanDerWaalsContact O-CD1 3.31Å; A76-L157 WeakPolarHBondContact O-CD1 3.17Å; A76-W158 WeakPolarHBondContact O-CA 3.46Å; A76-W158 VanDerWaalsContact O-CB 3.27Å; A76-W158 WeakPolarHBondContact O-CB 3.35Å; A76-W158 PolarHBondContact O-N 2.8Å; A76-A159 PolarHBondContact O-N 2.94Å; A76-A159 VanDerWaalsContact O-N 3.14Å
77V98.7Very high95.4Very high0 Ų036.5 Ų36.50%022%0.215CC..EExtended strand (participates in β ladder)trans-126126.1-177.2-176.30000109.8I79 L94 Y99 T100 V101 F102 A159 V161 I325V77-I79 HydrophobicContact CG1-CG1 4.05Å; V77-L94 HydrophobicContact CB-CD1 4.21Å; V77-L94 HydrophobicContact CG1-CD1 3.85Å; V77-L94 HydrophobicContact CG2-CD1 4.29Å; V77-Y99 HydrophobicContact CG2-CD1 3.73Å; V77-Y99 HydrophobicContact CG2-CE1 4.33Å; V77-Y99 HydrophobicContact CG2-CG 4.12Å; V77-T100 PolarHBondContact N-O 2.75Å; V77-V101 WeakPolarHBondContact O-CA 3.33Å; V77-F102 PolarHBondContact O-N 2.88Å; V77-A159 CarbonylContact C-O 3.59Å; V77-A159 WeakPolarHBondContact CA-O 3.39Å; V77-A159 HydrophobicContact CB-CB 4.39Å; V77-A159 HydrophobicContact CG1-CB 3.96Å; V77-A159 HydrophobicContact CG2-CB 3.99Å; V77-V161 HydrophobicContact CG1-CG2 3.98Å; V77-I325 HydrophobicContact CG1-CD1 4.25Å; V77-I325 HydrophobicContact CG2-CG2 4.29Å
78L98.9Very high95.9Very high3 Ų335.2 Ų35.22%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-88.6131.1165.7173.963.8000109.2F102 L131 I146 L157 A159 V160 V161 V194 V198L78-F102 WeakPolarHBondContact CA-O 3.09Å; L78-F102 HydrophobicContact CB-CB 4.46Å; L78-F102 HydrophobicContact CD1-CB 3.96Å; L78-F102 WeakPolarHBondContact CD1-O 3.27Å; L78-L131 HydrophobicContact CD1-CD2 4.24Å; L78-I146 HydrophobicContact CB-CD1 4.34Å; L78-I146 HydrophobicContact CD1-CD1 4.1Å; L78-I146 HydrophobicContact CD2-CD1 3.91Å; L78-I146 HydrophobicContact CG-CD1 4.34Å; L78-L157 HydrophobicContact CB-CD2 3.94Å; L78-A159 PolarHBondContact N-O 2.87Å; L78-V160 HydrophobicContact CB-CG2 4.3Å; L78-V160 HydrophobicContact CD2-CG2 4.06Å; L78-V160 HydrophobicContact CG-CG2 4.26Å; L78-V160 CarbonylContact O-C 3.58Å; L78-V160 WeakPolarHBondContact O-CA 3.3Å; L78-V161 PolarHBondContact O-N 3.31Å; L78-V194 HydrophobicContact CD2-CG1 4.07Å; L78-V198 HydrophobicContact CD2-CG1 3.84Å
79I98.9Very high96.4Very high0 Ų034.9 Ų34.90%020%0.203CC..EExtended strand (participates in β ladder)trans-121.1131172.1-51.2166.1000107.5V77 C82 L90 A91 L94 V101 F102 G104 V161 N163V77-I79 HydrophobicContact CG1-CG1 4.05Å; I79-C82 VanDerWaalsContact CB-SG 3.54Å; I79-C82 WeakPolarHBondContact CG2-SG 3.26Å; I79-L90 HydrophobicContact CD1-CB 4.36Å; I79-L90 HydrophobicContact CD1-CD2 3.93Å; I79-L90 HydrophobicContact CD1-CG 3.91Å; I79-L90 HydrophobicContact CG1-CD2 4.18Å; I79-L90 HydrophobicContact CG2-CD2 4.09Å; I79-A91 HydrophobicContact CD1-CB 3.94Å; I79-L94 HydrophobicContact CD1-CD1 4.08Å; I79-V101 HydrophobicContact CD1-CG1 3.78Å; I79-V101 HydrophobicContact CG1-CG1 4.47Å; I79-F102 PolarHBondContact N-O 3.37Å; I79-G104 WeakPolarHBondContact O-CA 3.4Å; I79-G104 PolarHBondContact O-N 2.53Å; I79-V161 HydrophobicContact CG1-CB 4.32Å; I79-V161 HydrophobicContact CG1-CG2 4.39Å; I79-V161 HydrophobicContact CG2-CB 4.3Å; I79-N163 HydrophobicContact CG2-CB 4.46Å
80T98.9Very high96.7Very high3 Ų330.7 Ų30.72%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-96.6147.6174.267.50000111.4L131 V133 V161 N163 A164 V194T80-L131 HydrophobicContact CG2-CD2 3.81Å; T80-V133 HydrophobicContact CG2-CG1 4.12Å; T80-V161 PolarHBondContact N-O 2.86Å; T80-N163 CarbonylContact O-C 3.54Å; T80-N163 VanDerWaalsContact O-CB 3.24Å; T80-N163 WeakPolarHBondContact O-CB 3.16Å; T80-N163 PolarHBondContact O-ND2 3.26Å; T80-N163 PolarHBondContact OG1-N 2.85Å; T80-A164 PolarHBondContact O-N 2.79Å; T80-A164 VanDerWaalsContact O-N 3.13Å; T80-A164 WeakPolarHBondContact OG1-CB 3.17Å; T80-A164 PolarHBondContact OG1-N 3.28Å; T80-V194 HydrophobicContact CG2-CG1 3.92Å; T80-V194 HydrophobicContact CG2-CG2 4.25Å
81G98.4Very high96.9Very high17 Ų1729.3 Ų29.318%0.17517%0.165CC..  trans71.450.7177.700000112.5D83 G104 N163G81-D83 VanDerWaalsContact C-N 3.34Å; G81-G104 PolarHBondContact N-O 2.84Å; G81-N163 PolarHBondContact O-ND2 2.92Å
82C98.6Very high97.1Very high0 Ų025.3 Ų25.30%015%0.146CC..  trans-886.1-179.2-73.20000114.5I79 T84 G87 L88 A103 G104 C105 L118I79-C82 VanDerWaalsContact CB-SG 3.54Å; I79-C82 WeakPolarHBondContact CG2-SG 3.26Å; C82-T84 VanDerWaalsContact C-N 3.34Å; C82-T84 PolarHBondContact O-N 2.77Å; C82-G87 PolarHBondContact SG-O 2.8Å; C82-G87 VanDerWaalsContact SG-O 3.42Å; C82-L88 WeakPolarHBondContact O-CB 3.45Å; C82-A103 HydrophobicContact CB-CB 3.95Å; C82-G104 PolarHBondContact N-O 3.42Å; C82-C105 VanDerWaalsContact CB-SG 3.51Å; C82-L118 HydrophobicContact CB-CD1 3.92Å
83D97.9Very high97.4Very high24 Ų2425.9 Ų25.913%0.12815%0.146CC..SBendtrans-66.9-33.7-179.6-53.8-94.7000112.5G81 C105 L106 L107 G114G81-D83 VanDerWaalsContact C-N 3.34Å; D83-C105 WeakPolarHBondContact OD1-CB 3.23Å; D83-C105 WeakPolarHBondContact OD2-CA 3.36Å; D83-L106 PolarHBondContact OD1-N 3.06Å; D83-L106 PolarHBondContact OD2-N 2.87Å; D83-L107 WeakPolarHBondContact OD1-CB 3.28Å; D83-L107 PolarHBondContact OD1-N 3.38Å; D83-G114 WeakPolarHBondContact O-CA 3.39Å
84T97.2Very high97.8Very high94 Ų9418.2 Ų18.258%0.57711%0.113SC*.SBendtrans-152.6178.5-178.763.50000112.2C82 G87 L88C82-T84 VanDerWaalsContact C-N 3.34Å; C82-T84 PolarHBondContact O-N 2.77Å; T84-G87 PolarHBondContact O-N 3.05Å; T84-L88 PolarHBondContact O-N 3.49Å
85G97.2Very high98.3Very high13 Ų1317.8 Ų17.813%0.13410%0.102CC..Hα-helixtrans57-137.9167.200000114.2G87 L88 S89G85-G87 VanDerWaalsContact C-N 3.33Å; G85-G87 PolarHBondContact O-N 3.29Å; G85-L88 PolarHBondContact O-N 3.48Å; G85-S89 PolarHBondContact O-N 3.04Å; G85-S89 VanDerWaalsContact O-N 3.13Å; G85-S89 PolarHBondContact O-OG 3.14Å
86F98.4Very high98.3Very high21 Ų2121.6 Ų21.69%0.09213%0.128CC..Hα-helixtrans-58.2-41.8-177.1-63.6-42.8000113L88 S89 L90 N163 P257 Y260 T264 M314 V317F86-L88 PolarHBondContact O-N 3.49Å; F86-S89 PolarHBondContact O-N 2.74Å; F86-L90 WeakPolarHBondContact O-CA 3.28Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 2.83Å; F86-N163 WeakPolarHBondContact CB-OD1 2.95Å; F86-P257 HydrophobicContact CE2-CB 4.34Å; F86-P257 HydrophobicContact CE2-CG 4.18Å; F86-P257 HydrophobicContact CZ-CB 4.42Å; F86-Y260 HydrophobicContact CE1-CD1 4.06Å; F86-Y260 HydrophobicContact CE1-CG 4.13Å; F86-Y260 AromaticContact CZ-CD1 3.98Å; F86-Y260 HydrophobicContact CZ-CD1 3.98Å; F86-Y260 AromaticContact CZ-CD2 3.93Å; F86-Y260 HydrophobicContact CZ-CD2 3.93Å; F86-Y260 AromaticContact CZ-CG 3.57Å; F86-Y260 HydrophobicContact CZ-CG 3.57Å; F86-T264 HydrophobicContact CD1-CG2 4.1Å; F86-T264 HydrophobicContact CD2-CG2 3.98Å; F86-T264 HydrophobicContact CE1-CG2 3.9Å; F86-T264 HydrophobicContact CE2-CG2 3.77Å; F86-T264 HydrophobicContact CG-CG2 4.13Å; F86-T264 HydrophobicContact CZ-CG2 3.73Å; F86-M314 HydrophobicContact CD1-CB 4.1Å; F86-M314 HydrophobicContact CD1-CG 3.94Å; F86-M314 HydrophobicContact CD1-SD 3.5Å; F86-M314 VanDerWaalsContact CD1-SD 3.5Å; F86-M314 HydrophobicContact CE1-CB 4.01Å; F86-M314 HydrophobicContact CE1-CG 3.71Å; F86-M314 HydrophobicContact CE1-SD 3.78Å; F86-M314 HydrophobicContact CG-SD 4.49Å; F86-V317 HydrophobicContact CD1-CB 4.18Å; F86-V317 HydrophobicContact CD1-CG1 3.92Å; F86-V317 HydrophobicContact CD2-CG1 4.33Å; F86-V317 HydrophobicContact CE1-CB 3.8Å; F86-V317 HydrophobicContact CE1-CG1 3.81Å; F86-V317 HydrophobicContact CE1-CG2 3.73Å; F86-V317 HydrophobicContact CE2-CG1 4.22Å; F86-V317 HydrophobicContact CG-CG1 4.19Å; F86-V317 HydrophobicContact CZ-CB 4.21Å; F86-V317 HydrophobicContact CZ-CG1 3.97Å; F86-V317 HydrophobicContact CZ-CG2 3.79Å
87G98.5Very high98.3Very high0 Ų025.2 Ų25.20%015%0.146CC..Hα-helixtrans-64.8-43.5-175.700000112.6C82 T84 G85 A91 N163C82-G87 PolarHBondContact SG-O 2.8Å; C82-G87 VanDerWaalsContact SG-O 3.42Å; T84-G87 PolarHBondContact O-N 3.05Å; G85-G87 VanDerWaalsContact C-N 3.33Å; G85-G87 PolarHBondContact O-N 3.29Å; G87-A91 WeakPolarHBondContact O-CB 3.46Å; G87-A91 PolarHBondContact O-N 3.47Å; G87-N163 WeakPolarHBondContact CA-ND2 3.46Å; G87-N163 PolarHBondContact N-ND2 2.85Å
88L98.6Very high98.2Very high20 Ų2026.6 Ų26.611%0.10516%0.16CC..Hα-helixtrans-63.8-51.4176.2178.958.9000111.3C82 T84 G85 F86 L90 A91 K92 L118C82-L88 WeakPolarHBondContact O-CB 3.45Å; T84-L88 PolarHBondContact O-N 3.49Å; G85-L88 PolarHBondContact O-N 3.48Å; F86-L88 PolarHBondContact O-N 3.49Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 2.84Å; L88-A91 PolarHBondContact O-N 3.23Å; L88-K92 WeakPolarHBondContact O-CG 3.3Å; L88-K92 PolarHBondContact O-N 2.67Å; L88-L118 HydrophobicContact CD1-CD1 3.75Å; L88-L118 HydrophobicContact CD1-CD2 3.85Å; L88-L118 HydrophobicContact CD1-CG 3.57Å
89S98.5Very high98.1Very high33 Ų3326.7 Ų26.723%0.23116%0.16CC..Hα-helixtrans-64.6-37.8-179.9-62.60000112.4G85 F86 K92 H93 M314G85-S89 PolarHBondContact O-N 3.04Å; G85-S89 VanDerWaalsContact O-N 3.13Å; G85-S89 PolarHBondContact O-OG 3.14Å; F86-S89 PolarHBondContact O-N 2.74Å; S89-K92 PolarHBondContact O-N 2.89Å; S89-H93 VanDerWaalsContact O-CB 3.32Å; S89-H93 WeakPolarHBondContact O-CB 3.47Å; S89-H93 PolarHBondContact O-N 2.88Å; S89-M314 WeakPolarHBondContact OG-CE 3.29Å
90L98.8Very high98.1Very high1 Ų127.5 Ų27.51%0.00517%0.165CC..Hα-helixtrans-66.4-41.4176.6-177.969.2000111.8I79 F86 L88 K92 H93 L94 V161 L318 I321I79-L90 HydrophobicContact CD1-CB 4.36Å; I79-L90 HydrophobicContact CD1-CD2 3.93Å; I79-L90 HydrophobicContact CD1-CG 3.91Å; I79-L90 HydrophobicContact CG1-CD2 4.18Å; I79-L90 HydrophobicContact CG2-CD2 4.09Å; F86-L90 WeakPolarHBondContact O-CA 3.28Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 2.83Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 2.84Å; L90-K92 VanDerWaalsContact C-N 3.32Å; L90-K92 PolarHBondContact O-N 2.84Å; L90-H93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 4.13Å; L90-L94 HydrophobicContact CD1-CD2 4.19Å; L90-L94 HydrophobicContact CD1-CG 3.85Å; L90-L94 HydrophobicContact CD2-CD1 4.45Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 HydrophobicContact CG-CG 4.08Å; L90-L94 WeakPolarHBondContact O-CG 3.21Å; L90-L94 PolarHBondContact O-N 3.44Å; L90-V161 HydrophobicContact CD2-CB 4.25Å; L90-V161 HydrophobicContact CD2-CG1 3.83Å; L90-V161 HydrophobicContact CD2-CG2 4.14Å; L90-L318 HydrophobicContact CB-CD2 3.81Å; L90-L318 HydrophobicContact CD1-CD2 4.21Å; L90-I321 HydrophobicContact CD1-CB 4Å; L90-I321 HydrophobicContact CD1-CD1 4.44Å; L90-I321 HydrophobicContact CD1-CG2 3.67Å; L90-I321 HydrophobicContact CD2-CB 4.47Å; L90-I321 HydrophobicContact CD2-CD1 4.14Å; L90-I321 HydrophobicContact CD2-CG2 3.6Å; L90-I321 HydrophobicContact CG-CG2 4.28Å
91A98.8Very high98Very high0 Ų027.3 Ų27.30%016%0.164CC..Hα-helixtrans-57.3-48.4177.100000110.9I79 G87 L88 H95 V101 A103 L118 M126I79-A91 HydrophobicContact CD1-CB 3.94Å; G87-A91 WeakPolarHBondContact O-CB 3.46Å; G87-A91 PolarHBondContact O-N 3.47Å; L88-A91 PolarHBondContact O-N 3.23Å; A91-H95 WeakPolarHBondContact O-CB 3.42Å; A91-H95 PolarHBondContact O-N 3.48Å; A91-V101 HydrophobicContact CB-CG1 3.94Å; A91-A103 HydrophobicContact CB-CB 4.3Å; A91-L118 HydrophobicContact CB-CD1 4.3Å; A91-L118 HydrophobicContact CB-CD2 3.79Å; A91-M126 HydrophobicContact CB-CE 4.4Å
92K98.6Very high98.1Very high47 Ų4726.5 Ų26.520%0.20416%0.155CC..Hα-helixtrans-60.7-46.4175.2-61.4176.9-171164.40111.4L88 S89 L90 H95 T96 E117 L118 F121L88-K92 WeakPolarHBondContact O-CG 3.3Å; L88-K92 PolarHBondContact O-N 2.67Å; S89-K92 PolarHBondContact O-N 2.89Å; L90-K92 VanDerWaalsContact C-N 3.32Å; L90-K92 PolarHBondContact O-N 2.84Å; K92-H95 WeakPolarHBondContact O-CB 3.47Å; K92-H95 PolarHBondContact O-N 2.91Å; K92-T96 WeakPolarHBondContact O-CG2 3.32Å; K92-T96 PolarHBondContact O-N 2.85Å; K92-E117 IonicContact NZ-OE1 2.85Å; K92-E117 PolarHBondContact NZ-OE1 2.79Å; K92-E117 IonicContact NZ-OE2 3.94Å; K92-E117 PolarHBondContact NZ-OE2 2.8Å; K92-L118 HydrophobicContact CG-CD2 3.95Å; K92-F121 HydrophobicContact CB-CZ 4.04Å; K92-F121 HydrophobicContact CD-CE2 4.29Å; K92-F121 HydrophobicContact CD-CZ 4.26Å; K92-F121 HydrophobicContact CG-CE2 3.89Å; K92-F121 HydrophobicContact CG-CZ 3.69Å
93H98.4Very high98.1Very high50 Ų5026.5 Ų26.523%0.23116%0.155CC..Hα-helixtrans-63.6-45.7-179-176.875.4000113.1S89 L90 H95 T96 L97S89-H93 VanDerWaalsContact O-CB 3.32Å; S89-H93 WeakPolarHBondContact O-CB 3.47Å; S89-H93 PolarHBondContact O-N 2.88Å; L90-H93 PolarHBondContact O-N 3.29Å; H93-H95 VanDerWaalsContact C-N 3.28Å; H93-H95 PolarHBondContact O-N 3.31Å; H93-T96 PolarHBondContact O-N 3.42Å; H93-T96 PolarHBondContact O-OG1 3.43Å; H93-L97 WeakPolarHBondContact O-CG 3.45Å; H93-L97 PolarHBondContact O-N 3.05Å; H93-L97 VanDerWaalsContact O-N 3.1Å
94L98.5Very high98.1Very high0 Ų025.4 Ų25.40%015%0.149CC..Hα-helixtrans-67.7-31.2177.2-65.5-173000112.1V77 I79 L90 L97 G98 Y99 V101 A322 I325V77-L94 HydrophobicContact CB-CD1 4.21Å; V77-L94 HydrophobicContact CG1-CD1 3.85Å; V77-L94 HydrophobicContact CG2-CD1 4.29Å; I79-L94 HydrophobicContact CD1-CD1 4.08Å; L90-L94 HydrophobicContact CD1-CD1 4.13Å; L90-L94 HydrophobicContact CD1-CD2 4.19Å; L90-L94 HydrophobicContact CD1-CG 3.85Å; L90-L94 HydrophobicContact CD2-CD1 4.45Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 HydrophobicContact CG-CG 4.08Å; L90-L94 WeakPolarHBondContact O-CG 3.21Å; L90-L94 PolarHBondContact O-N 3.44Å; L94-L97 HydrophobicContact CD2-CD1 4.15Å; L94-L97 PolarHBondContact O-N 2.85Å; L94-G98 PolarHBondContact O-N 3.49Å; L94-Y99 HydrophobicContact CB-CD2 4.07Å; L94-Y99 HydrophobicContact CB-CG 4.49Å; L94-Y99 HydrophobicContact CD2-CD2 4.04Å; L94-Y99 HydrophobicContact CD2-CE2 4.14Å; L94-Y99 WeakPolarHBondContact O-CB 3.34Å; L94-Y99 WeakPolarHBondContact O-CD2 3.28Å; L94-Y99 PolarHBondContact O-N 3.38Å; L94-V101 HydrophobicContact CB-CG2 3.86Å; L94-A322 HydrophobicContact CD2-CB 4.31Å; L94-I325 HydrophobicContact CD1-CD1 3.55Å; L94-I325 HydrophobicContact CD2-CD1 4.13Å; L94-I325 HydrophobicContact CG-CD1 4.5Å
95H98.1Very high98.2Very high21 Ų2120.9 Ų20.910%0.09712%0.122CC..Hα-helixtrans-63.5-43.7172.5177.8-82.6000112A91 K92 H93 L97 G98 V101 F121 S123 R125 M126A91-H95 WeakPolarHBondContact O-CB 3.42Å; A91-H95 PolarHBondContact O-N 3.48Å; K92-H95 WeakPolarHBondContact O-CB 3.47Å; K92-H95 PolarHBondContact O-N 2.91Å; H93-H95 VanDerWaalsContact C-N 3.28Å; H93-H95 PolarHBondContact O-N 3.31Å; H95-L97 VanDerWaalsContact C-N 3.27Å; H95-L97 PolarHBondContact O-N 3.24Å; H95-G98 PolarHBondContact O-N 2.91Å; H95-V101 HydrophobicContact CB-CG2 4.33Å; H95-F121 AromaticContact CE1-CD1 3.67Å; H95-F121 AromaticContact ND1-CD1 3.65Å; H95-F121 AromaticContact ND1-CE1 3.71Å; H95-S123 WeakPolarHBondContact NE2-CB 3.31Å; H95-S123 PolarHBondContact NE2-OG 3.1Å; H95-R125 PolarHBondContact O-NH1 2.84Å; H95-R125 PolarHBondContact O-NH2 3.44Å; H95-M126 HydrophobicContact CB-CE 3.61Å
96T97.1Very high98.2Very high102 Ų10224.2 Ų24.263%0.62614%0.136SC*.Hα-helixtrans-65.5-31.6176.463.70000112.3K92 H93 G98K92-T96 WeakPolarHBondContact O-CG2 3.32Å; K92-T96 PolarHBondContact O-N 2.85Å; H93-T96 PolarHBondContact O-N 3.42Å; H93-T96 PolarHBondContact O-OG1 3.43Å; T96-G98 PolarHBondContact O-N 3.29Å
97L96.8Very high98.1Very high81 Ų8126.5 Ų26.542%0.42415%0.149SC..THydrogen-bonded Turntrans-72-10.3173.2-67.2-179.1000114.1V72 H93 L94 H95 Y99 A322V72-L97 WeakPolarHBondContact CG1-O 3.27Å; H93-L97 WeakPolarHBondContact O-CG 3.45Å; H93-L97 PolarHBondContact O-N 3.05Å; H93-L97 VanDerWaalsContact O-N 3.1Å; L94-L97 HydrophobicContact CD2-CD1 4.15Å; L94-L97 PolarHBondContact O-N 2.85Å; H95-L97 VanDerWaalsContact C-N 3.27Å; H95-L97 PolarHBondContact O-N 3.24Å; L97-Y99 HydrophobicContact CB-CD2 4.02Å; L97-Y99 HydrophobicContact CB-CE2 4.13Å; L97-Y99 HydrophobicContact CD1-CE2 4.43Å; L97-A322 HydrophobicContact CD1-CB 4.14Å
98G96.6Very high98Very high28 Ų2829.2 Ų29.229%0.28916%0.161SC..THydrogen-bonded Turntrans101.35.1175.100000115.5V72 L94 H95 T96 R125V72-G98 VanDerWaalsContact CG1-C 3.48Å; L94-G98 PolarHBondContact O-N 3.49Å; H95-G98 PolarHBondContact O-N 2.91Å; T96-G98 PolarHBondContact O-N 3.29Å; G98-R125 VanDerWaalsContact CA-NH1 3.32Å
99Y97.5Very high97.8Very high6 Ų633.9 Ų33.92%0.02419%0.186CC..  trans-71154.8175.4-68.8-84.7000111.5V72 K75 V77 L94 L97 R125 I325V72-Y99 HydrophobicContact CB-CE1 4.48Å; V72-Y99 HydrophobicContact CB-CE2 4.49Å; V72-Y99 HydrophobicContact CG1-CD1 3.79Å; V72-Y99 HydrophobicContact CG1-CD2 3.7Å; V72-Y99 HydrophobicContact CG1-CE1 3.85Å; V72-Y99 HydrophobicContact CG1-CE2 3.76Å; V72-Y99 HydrophobicContact CG1-CG 3.72Å; V72-Y99 HydrophobicContact CG2-CE1 4.45Å; V72-Y99 HydrophobicContact CG2-CE2 3.97Å; K75-Y99 HydrophobicContact CB-CD1 3.77Å; K75-Y99 HydrophobicContact CB-CE1 3.85Å; K75-Y99 HydrophobicContact CD-CE1 4.26Å; V77-Y99 HydrophobicContact CG2-CD1 3.73Å; V77-Y99 HydrophobicContact CG2-CE1 4.33Å; V77-Y99 HydrophobicContact CG2-CG 4.12Å; L94-Y99 HydrophobicContact CB-CD2 4.07Å; L94-Y99 HydrophobicContact CB-CG 4.49Å; L94-Y99 HydrophobicContact CD2-CD2 4.04Å; L94-Y99 HydrophobicContact CD2-CE2 4.14Å; L94-Y99 WeakPolarHBondContact O-CB 3.34Å; L94-Y99 WeakPolarHBondContact O-CD2 3.28Å; L94-Y99 PolarHBondContact O-N 3.38Å; L97-Y99 HydrophobicContact CB-CD2 4.02Å; L97-Y99 HydrophobicContact CB-CE2 4.13Å; L97-Y99 HydrophobicContact CD1-CE2 4.43Å; Y99-R125 PolarHBondContact O-NH1 2.89Å; Y99-I325 HydrophobicContact CE1-CG2 3.87Å
100T97.8Very high97.7Very high16 Ų1640.4 Ų40.410%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-82.6122.6158.8-61.50000107.9K75 A76 V77 F102 R125 K127K75-T100 PolarHBondContact O-N 3.35Å; A76-T100 CarbonylContact C-O 3.59Å; A76-T100 WeakPolarHBondContact CA-O 3.26Å; A76-T100 HydrophobicContact CB-CG2 4.31Å; V77-T100 PolarHBondContact N-O 2.75Å; T100-F102 HydrophobicContact CG2-CE2 4.28Å; T100-R125 CarbonylContact C-O 3.46Å; T100-R125 WeakPolarHBondContact CA-O 3.29Å; T100-K127 HydrophobicContact CG2-CD 4.49Å
101V98.6Very high97.4Very high0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-109.8121.2-175.6-179.50000109.1V77 I79 A91 L94 H95 A103 R125 M126 K127V77-V101 WeakPolarHBondContact O-CA 3.33Å; I79-V101 HydrophobicContact CD1-CG1 3.78Å; I79-V101 HydrophobicContact CG1-CG1 4.47Å; A91-V101 HydrophobicContact CB-CG1 3.94Å; L94-V101 HydrophobicContact CB-CG2 3.86Å; H95-V101 HydrophobicContact CB-CG2 4.33Å; V101-A103 HydrophobicContact CG1-CB 4.33Å; V101-R125 PolarHBondContact N-O 2.82Å; V101-M126 HydrophobicContact CB-SD 3.98Å; V101-M126 HydrophobicContact CG1-SD 4.01Å; V101-K127 PolarHBondContact O-N 3.07Å
102F98.8Very high97.2Very high0 Ų047.5 Ų47.50%025%0.247CC..EExtended strand (participates in β ladder)trans-93.5100.4162.1-67.3-85.9000107.5A76 V77 L78 I79 T100 G104 K127 V129 Y145 I146 N149 L150 L157A76-F102 HydrophobicContact CB-CD2 4.25Å; A76-F102 HydrophobicContact CB-CE2 3.86Å; V77-F102 PolarHBondContact O-N 2.88Å; L78-F102 WeakPolarHBondContact CA-O 3.09Å; L78-F102 HydrophobicContact CB-CB 4.46Å; L78-F102 HydrophobicContact CD1-CB 3.96Å; L78-F102 WeakPolarHBondContact CD1-O 3.27Å; I79-F102 PolarHBondContact N-O 3.37Å; T100-F102 HydrophobicContact CG2-CE2 4.28Å; F102-G104 PolarHBondContact O-N 2.73Å; F102-K127 CarbonylContact C-O 3.53Å; F102-K127 VanDerWaalsContact CA-O 3.29Å; F102-K127 WeakPolarHBondContact CA-O 3.45Å; F102-K127 HydrophobicContact CD1-CB 3.8Å; F102-K127 HydrophobicContact CD1-CD 3.95Å; F102-K127 HydrophobicContact CE1-CB 4.08Å; F102-K127 HydrophobicContact CE1-CD 3.34Å; F102-K127 HydrophobicContact CE1-CG 4.34Å; F102-K127 HydrophobicContact CZ-CD 3.73Å; F102-V129 HydrophobicContact CD1-CG2 4.18Å; F102-Y145 HydrophobicContact CD1-CD1 4.13Å; F102-Y145 HydrophobicContact CD1-CE1 4Å; F102-Y145 HydrophobicContact CE1-CD1 4.02Å; F102-Y145 AromaticContact CE1-CE1 3.87Å; F102-Y145 HydrophobicContact CE1-CE1 3.87Å; F102-I146 HydrophobicContact CB-CG1 4.31Å; F102-I146 HydrophobicContact CD1-CG1 3.72Å; F102-I146 HydrophobicContact CD2-CG1 4.14Å; F102-I146 HydrophobicContact CD2-CG2 4.42Å; F102-I146 HydrophobicContact CE1-CB 4.34Å; F102-I146 HydrophobicContact CE1-CG1 3.96Å; F102-I146 HydrophobicContact CE2-CG1 4.36Å; F102-I146 HydrophobicContact CE2-CG2 4.07Å; F102-I146 HydrophobicContact CG-CG1 3.81Å; F102-I146 HydrophobicContact CZ-CB 4.33Å; F102-I146 HydrophobicContact CZ-CG1 4.27Å; F102-I146 HydrophobicContact CZ-CG2 4.2Å; F102-N149 HydrophobicContact CE1-CB 3.71Å; F102-N149 HydrophobicContact CZ-CB 3.71Å; F102-L150 HydrophobicContact CE2-CD2 4.16Å; F102-L157 HydrophobicContact CD2-CD1 4.35Å
103A98.8Very high97.1Very high0 Ų053.6 Ų53.60%028%0.276CS..EExtended strand (participates in β ladder)trans-88.5104.8-18000000109.8C82 A91 V101 C105 L118 M126 K127 V129C82-A103 HydrophobicContact CB-CB 3.95Å; A91-A103 HydrophobicContact CB-CB 4.3Å; V101-A103 HydrophobicContact CG1-CB 4.33Å; A103-C105 PolarHBondContact O-N 3.27Å; A103-L118 HydrophobicContact CB-CD1 3.76Å; A103-M126 HydrophobicContact CB-SD 4.41Å; A103-K127 PolarHBondContact N-O 2.86Å; A103-V129 PolarHBondContact O-N 3.47Å
104G98.8Very high97Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-80.8109.3176.200000111.2I79 G81 C82 F102 V129I79-G104 WeakPolarHBondContact O-CA 3.4Å; I79-G104 PolarHBondContact O-N 2.53Å; G81-G104 PolarHBondContact N-O 2.84Å; C82-G104 PolarHBondContact N-O 3.42Å; F102-G104 PolarHBondContact O-N 2.73Å; G104-V129 CarbonylContact C-O 3.38Å; G104-V129 WeakPolarHBondContact CA-O 3.41Å
105C98.7Very high96.9Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-111.2136.5179.4-61.80000110.4C82 D83 A103 L107 K108 A115 V129 Q130 L131C82-C105 VanDerWaalsContact CB-SG 3.51Å; D83-C105 WeakPolarHBondContact OD1-CB 3.23Å; D83-C105 WeakPolarHBondContact OD2-CA 3.36Å; A103-C105 PolarHBondContact O-N 3.27Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-K108 HydrophobicContact CB-CB 4.16Å; C105-A115 HydrophobicContact CB-CB 3.99Å; C105-V129 PolarHBondContact N-O 3.49Å; C105-Q130 WeakPolarHBondContact O-CA 3.5Å; C105-L131 PolarHBondContact O-N 2.87Å
106L98Very high96.9Very high83 Ų8354.6 Ų54.644%0.43528%0.282SS..THydrogen-bonded Turntrans-70.8-31.1176.317863.5000111.7D83 Q130 D132D83-L106 PolarHBondContact OD1-N 3.06Å; D83-L106 PolarHBondContact OD2-N 2.87Å; L106-Q130 PolarHBondContact O-NE2 2.88Å; L106-Q130 PolarHBondContact O-OE1 3.5Å; L106-D132 HydrophobicContact CD1-CB 3.58Å
107L96.8Very high97Very high69 Ų6953.5 Ų53.536%0.36127%0.27SS..THydrogen-bonded Turntrans-11016.3-171.3-56.8178.3000113.6D83 C105 D109 K110 E111 G112D83-L107 WeakPolarHBondContact OD1-CB 3.28Å; D83-L107 PolarHBondContact OD1-N 3.38Å; C105-L107 VanDerWaalsContact C-N 3.33Å; L107-D109 PolarHBondContact O-N 3.45Å; L107-K110 HydrophobicContact CD2-CD 4.08Å; L107-K110 CarbonylContact O-C 3.5Å; L107-K110 WeakPolarHBondContact O-CA 3.37Å; L107-K110 PolarHBondContact O-N 2.9Å; L107-K110 VanDerWaalsContact O-N 3.1Å; L107-E111 PolarHBondContact O-N 3.18Å; L107-E111 VanDerWaalsContact O-N 3.14Å; L107-G112 PolarHBondContact O-N 3.37Å
108K95.4Very high97Very high56 Ų5649.7 Ų49.724%0.24325%0.25CC..G310 helixtrans-55.3-52.9-179.4-174.2-162.6177.6-54.60111.7C105 K110 E111 A115 E119 V128 Q130C105-K108 HydrophobicContact CB-CB 4.16Å; K108-K110 PolarHBondContact O-N 2.98Å; K108-E111 PolarHBondContact O-N 3.33Å; K108-A115 HydrophobicContact CB-CB 4.14Å; K108-A115 HydrophobicContact CG-CB 4.28Å; K108-E119 VanDerWaalsContact CE-OE1 3.23Å; K108-E119 WeakPolarHBondContact CE-OE1 3.3Å; K108-E119 IonicContact NZ-OE1 3.55Å; K108-E119 PolarHBondContact NZ-OE1 3.13Å; K108-E119 VanDerWaalsContact NZ-OE1 3.13Å; K108-V128 HydrophobicContact CD-CG1 4.03Å; K108-V128 WeakPolarHBondContact CE-O 3.33Å; K108-V128 HydrophobicContact CG-CG1 3.98Å; K108-Q130 HydrophobicContact CB-CB 4.16Å; K108-Q130 HydrophobicContact CD-CB 4.18Å; K108-Q130 VanDerWaalsContact CD-N 3.35Å; K108-Q130 VanDerWaalsContact N-OE1 3.11Å
109D95.2Very high97Very high119 Ų11952.4 Ų52.464%0.63626%0.255SS*.G310 helixtrans-73.1-10.6-177-68.5-5.7000112.7L107 Q130L107-D109 PolarHBondContact O-N 3.45Å; D109-Q130 HydrophobicContact CB-CG 4.4Å; D109-Q130 WeakPolarHBondContact OD2-CG 3.39Å
110K95.1Very high96.9Very high169 Ų16958.3 Ų58.374%0.73528%0.283SS*.G310 helixtrans-100.915.2171.5-62.9-178.9-179.3175.10112.1L107 K108 G112L107-K110 HydrophobicContact CD2-CD 4.08Å; L107-K110 CarbonylContact O-C 3.5Å; L107-K110 WeakPolarHBondContact O-CA 3.37Å; L107-K110 PolarHBondContact O-N 2.9Å; L107-K110 VanDerWaalsContact O-N 3.1Å; K108-K110 PolarHBondContact O-N 2.98Å; K110-G112 VanDerWaalsContact C-N 3.25Å; K110-G112 PolarHBondContact O-N 3.14Å
111E93.3Very high96.8Very high137 Ų13761 Ų6164%0.6429%0.294SS*.THydrogen-bonded Turntrans59.533.3175.5-80.9-166.1-159.900114.2L107 K108 K116L107-E111 PolarHBondContact O-N 3.18Å; L107-E111 VanDerWaalsContact O-N 3.14Å; K108-E111 PolarHBondContact O-N 3.33Å; E111-K116 VanDerWaalsContact CB-CE 3.48Å; E111-K116 WeakPolarHBondContact O-CD 3.25Å; E111-K116 VanDerWaalsContact O-CE 3.25Å; E111-K116 WeakPolarHBondContact O-CE 3.41Å; E111-K116 PolarHBondContact O-NZ 2.92Å; E111-K116 WeakPolarHBondContact OE2-CE 3.31Å; E111-K116 IonicContact OE2-NZ 3.24Å; E111-K116 PolarHBondContact OE2-NZ 3.06Å
112G95.1Very high96.5Very high14 Ų1469.1 Ų69.114%0.14433%0.331CS..  trans-59.8142.5179.200000113L107 K110 G114 A115 K116L107-G112 PolarHBondContact O-N 3.37Å; K110-G112 VanDerWaalsContact C-N 3.25Å; K110-G112 PolarHBondContact O-N 3.14Å; G112-G114 PolarHBondContact O-N 2.89Å; G112-A115 WeakPolarHBondContact O-CB 3.48Å; G112-A115 PolarHBondContact O-N 2.92Å; G112-A115 VanDerWaalsContact O-N 3.09Å; G112-K116 PolarHBondContact O-N 3.35Å
113E96.2Very high96.3Very high174 Ų17470.9 Ų70.981%0.81334%0.343SS*.Hα-helixtrans-56.6-44.8-171.9-64.8-177.3166.400113.4A115 K116 E117E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 3.21Å; E113-K116 PolarHBondContact O-N 3.43Å; E113-E117 WeakPolarHBondContact O-CB 3.19Å; E113-E117 PolarHBondContact O-N 3.03Å
114G96.5Very high96.1Very high8 Ų877.9 Ų77.98%0.08238%0.38CS..Hα-helixtrans-66.4-32.517900000113.8D83 G112 L118D83-G114 WeakPolarHBondContact O-CA 3.39Å; G112-G114 PolarHBondContact O-N 2.89Å; G114-L118 VanDerWaalsContact O-CG 3.29Å; G114-L118 WeakPolarHBondContact O-CG 3.18Å; G114-L118 PolarHBondContact O-N 3.47Å; G114-L118 VanDerWaalsContact O-N 3.17Å
115A97.1Very high96Very high1 Ų181.6 Ų81.61%0.00839%0.394CS..Hα-helixtrans-68.2-44.6173.300000110.9C105 K108 G112 E113 L118 E119 V128C105-A115 HydrophobicContact CB-CB 3.99Å; K108-A115 HydrophobicContact CB-CB 4.14Å; K108-A115 HydrophobicContact CG-CB 4.28Å; G112-A115 WeakPolarHBondContact O-CB 3.48Å; G112-A115 PolarHBondContact O-N 2.92Å; G112-A115 VanDerWaalsContact O-N 3.09Å; E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 3.21Å; A115-L118 PolarHBondContact O-N 3.1Å; A115-E119 WeakPolarHBondContact O-CG 3.37Å; A115-E119 PolarHBondContact O-N 3Å; A115-V128 HydrophobicContact CB-CG1 4.06Å
116K97.6Very high95.9Very high83 Ų8382.3 Ų82.336%0.36140%0.398SS..Hα-helixtrans-58.7-47.5174.9-73.8179.1168.7169.70111.8E111 G112 E113 L118 E119 E120E111-K116 VanDerWaalsContact CB-CE 3.48Å; E111-K116 WeakPolarHBondContact O-CD 3.25Å; E111-K116 VanDerWaalsContact O-CE 3.25Å; E111-K116 WeakPolarHBondContact O-CE 3.41Å; E111-K116 PolarHBondContact O-NZ 2.92Å; E111-K116 WeakPolarHBondContact OE2-CE 3.31Å; E111-K116 IonicContact OE2-NZ 3.24Å; E111-K116 PolarHBondContact OE2-NZ 3.06Å; G112-K116 PolarHBondContact O-N 3.35Å; E113-K116 PolarHBondContact O-N 3.43Å; K116-L118 PolarHBondContact O-N 3.49Å; K116-E119 PolarHBondContact O-N 2.84Å; K116-E120 WeakPolarHBondContact O-CG 3.28Å; K116-E120 PolarHBondContact O-N 2.81Å
117E97.9Very high95.9Very high79 Ų7980.1 Ų80.137%0.36939%0.385SS..Hα-helixtrans-60.2-35.1178.9-168.1-174.9-17900112.3K92 E113K92-E117 IonicContact NZ-OE1 2.85Å; K92-E117 PolarHBondContact NZ-OE1 2.79Å; K92-E117 IonicContact NZ-OE2 3.94Å; K92-E117 PolarHBondContact NZ-OE2 2.8Å; E113-E117 WeakPolarHBondContact O-CB 3.19Å; E113-E117 PolarHBondContact O-N 3.03Å
118L97.9Very high96Very high1 Ų177.5 Ų77.51%0.00537%0.372CS..Hα-helixtrans-74.5-32.8174.6-70169.4000112.6C82 L88 A91 K92 A103 G114 A115 K116 E120 F121 M126 V128C82-L118 HydrophobicContact CB-CD1 3.92Å; L88-L118 HydrophobicContact CD1-CD1 3.75Å; L88-L118 HydrophobicContact CD1-CD2 3.85Å; L88-L118 HydrophobicContact CD1-CG 3.57Å; A91-L118 HydrophobicContact CB-CD1 4.3Å; A91-L118 HydrophobicContact CB-CD2 3.79Å; K92-L118 HydrophobicContact CG-CD2 3.95Å; A103-L118 HydrophobicContact CB-CD1 3.76Å; G114-L118 VanDerWaalsContact O-CG 3.29Å; G114-L118 WeakPolarHBondContact O-CG 3.18Å; G114-L118 PolarHBondContact O-N 3.47Å; G114-L118 VanDerWaalsContact O-N 3.17Å; A115-L118 PolarHBondContact O-N 3.1Å; K116-L118 PolarHBondContact O-N 3.49Å; L118-E120 VanDerWaalsContact C-N 3.32Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.3Å; L118-M126 HydrophobicContact CD2-CE 3.85Å; L118-M126 HydrophobicContact CD2-SD 4.07Å; L118-M126 WeakPolarHBondContact O-CG 3.46Å; L118-V128 HydrophobicContact CB-CG2 3.56Å
119E96.3Very high96.1Very high85 Ų8575.3 Ų75.340%0.39736%0.363SS..Hα-helixtrans-69-30.1175.2-71.7178.2162.900112.1K108 A115 K116 F121 H122 V128K108-E119 VanDerWaalsContact CE-OE1 3.23Å; K108-E119 WeakPolarHBondContact CE-OE1 3.3Å; K108-E119 IonicContact NZ-OE1 3.55Å; K108-E119 PolarHBondContact NZ-OE1 3.13Å; K108-E119 VanDerWaalsContact NZ-OE1 3.13Å; A115-E119 WeakPolarHBondContact O-CG 3.37Å; A115-E119 PolarHBondContact O-N 3Å; K116-E119 PolarHBondContact O-N 2.84Å; E119-F121 PolarHBondContact O-N 3.36Å; E119-F121 VanDerWaalsContact O-N 3.13Å; E119-H122 PolarHBondContact O-N 3.05Å; E119-H122 VanDerWaalsContact O-N 3.14Å; E119-H122 PolarHBondContact O-ND1 3.27Å; E119-V128 HydrophobicContact CG-CB 3.81Å; E119-V128 HydrophobicContact CG-CG1 4.32Å; E119-V128 HydrophobicContact CG-CG2 3.63Å
120E96Very high96.3Very high131 Ų13171.1 Ų71.161%0.61234%0.34SS*.THydrogen-bonded Turntrans-63.7-12.5175.6-74175.1-178.300114.2K116 L118 H122K116-E120 WeakPolarHBondContact O-CG 3.28Å; K116-E120 PolarHBondContact O-N 2.81Å; L118-E120 VanDerWaalsContact C-N 3.32Å; E120-H122 PolarHBondContact O-CD2 2.79Å; E120-H122 PolarHBondContact O-N 3.04Å
121F93.9Very high96.4Very high73 Ų7363.3 Ų63.332%0.3231%0.306SS..THydrogen-bonded Turntrans-64-20.7171.9-87.8-113000112.9K92 H95 L118 E119 S123 M126K92-F121 HydrophobicContact CB-CZ 4.04Å; K92-F121 HydrophobicContact CD-CE2 4.29Å; K92-F121 HydrophobicContact CD-CZ 4.26Å; K92-F121 HydrophobicContact CG-CE2 3.89Å; K92-F121 HydrophobicContact CG-CZ 3.69Å; H95-F121 AromaticContact CE1-CD1 3.67Å; H95-F121 AromaticContact ND1-CD1 3.65Å; H95-F121 AromaticContact ND1-CE1 3.71Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.3Å; E119-F121 PolarHBondContact O-N 3.36Å; E119-F121 VanDerWaalsContact O-N 3.13Å; F121-S123 PolarHBondContact O-N 3.33Å; F121-M126 HydrophobicContact CB-CB 4.11Å; F121-M126 HydrophobicContact CB-CG 4.22Å; F121-M126 HydrophobicContact CD1-CE 4.28Å; F121-M126 HydrophobicContact CE1-CE 4.48Å; F121-M126 HydrophobicContact CG-CE 4.38Å
122H93.2Very high96.7Very high170 Ų17059 Ų5979%0.78729%0.288SS*.  trans43.443.7179.2-60.5-53.8000113.4E119 E120E119-H122 PolarHBondContact O-N 3.05Å; E119-H122 VanDerWaalsContact O-N 3.14Å; E119-H122 PolarHBondContact O-ND1 3.27Å; E120-H122 PolarHBondContact O-CD2 2.79Å; E120-H122 PolarHBondContact O-N 3.04Å
123S95.1Very high96.9Very high37 Ų3758.7 Ų58.726%0.25928%0.283SS..  trans-125.1132.9-172.4-178.60000110.5H95 F121 R125 M126H95-S123 WeakPolarHBondContact NE2-CB 3.31Å; H95-S123 PolarHBondContact NE2-OG 3.1Å; F121-S123 PolarHBondContact O-N 3.33Å; S123-R125 PolarHBondContact O-N 3.4Å; S123-R125 PolarHBondContact OG-N 3.21Å; S123-M126 PolarHBondContact O-N 3.26Å; S123-M126 VanDerWaalsContact O-O 3.1Å
124D94Very high97Very high146 Ų14652.3 Ų52.378%0.78126%0.257SS*.THydrogen-bonded Turntrans-60.4-19.9176.4-63.2-35.1000113.5K127D124-K127 VanDerWaalsContact O-CE 3.26Å; D124-K127 WeakPolarHBondContact O-CE 3.22Å
125R95.9Very high97.1Very high78 Ų7853.3 Ų53.329%0.29426%0.263SS..THydrogen-bonded Turntrans-85.1-10.5175.1-66.7-167.4-61105.1-2113.6H95 G98 Y99 T100 V101 S123H95-R125 PolarHBondContact O-NH1 2.84Å; H95-R125 PolarHBondContact O-NH2 3.44Å; G98-R125 VanDerWaalsContact CA-NH1 3.32Å; Y99-R125 PolarHBondContact O-NH1 2.89Å; T100-R125 CarbonylContact C-O 3.46Å; T100-R125 WeakPolarHBondContact CA-O 3.29Å; V101-R125 PolarHBondContact N-O 2.82Å; S123-R125 PolarHBondContact O-N 3.4Å; S123-R125 PolarHBondContact OG-N 3.21Å
126M98.1Very high97.2Very high16 Ų1658.6 Ų58.68%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-109.7106.8173.9-174.663.68000108.8A91 H95 V101 A103 L118 F121 S123A91-M126 HydrophobicContact CB-CE 4.4Å; H95-M126 HydrophobicContact CB-CE 3.61Å; V101-M126 HydrophobicContact CB-SD 3.98Å; V101-M126 HydrophobicContact CG1-SD 4.01Å; A103-M126 HydrophobicContact CB-SD 4.41Å; L118-M126 HydrophobicContact CD2-CE 3.85Å; L118-M126 HydrophobicContact CD2-SD 4.07Å; L118-M126 WeakPolarHBondContact O-CG 3.46Å; F121-M126 HydrophobicContact CB-CB 4.11Å; F121-M126 HydrophobicContact CB-CG 4.22Å; F121-M126 HydrophobicContact CD1-CE 4.28Å; F121-M126 HydrophobicContact CE1-CE 4.48Å; F121-M126 HydrophobicContact CG-CE 4.38Å; S123-M126 PolarHBondContact O-N 3.26Å; S123-M126 VanDerWaalsContact O-O 3.1Å
127K97.9Very high97.2Very high36 Ų3661.1 Ų61.116%0.15730%0.304CS..EExtended strand (participates in β ladder)trans-116.9106.5-176.8-63.9178.1-179-75.30109.1T100 V101 F102 A103 D124 Y145 N149T100-K127 HydrophobicContact CG2-CD 4.49Å; V101-K127 PolarHBondContact O-N 3.07Å; F102-K127 CarbonylContact C-O 3.53Å; F102-K127 VanDerWaalsContact CA-O 3.29Å; F102-K127 WeakPolarHBondContact CA-O 3.45Å; F102-K127 HydrophobicContact CD1-CB 3.8Å; F102-K127 HydrophobicContact CD1-CD 3.95Å; F102-K127 HydrophobicContact CE1-CB 4.08Å; F102-K127 HydrophobicContact CE1-CD 3.34Å; F102-K127 HydrophobicContact CE1-CG 4.34Å; F102-K127 HydrophobicContact CZ-CD 3.73Å; A103-K127 PolarHBondContact N-O 2.86Å; D124-K127 VanDerWaalsContact O-CE 3.26Å; D124-K127 WeakPolarHBondContact O-CE 3.22Å; K127-Y145 HydrophobicContact CB-CE1 4.23Å; K127-N149 HydrophobicContact CD-CB 3.88Å; K127-N149 PolarHBondContact NZ-OD1 2.98Å
128V98.3Very high97.3Very high14 Ų1459.9 Ų59.99%0.08530%0.298CS..EExtended strand (participates in β ladder)trans-85.8129.1179.7-171.90000109.7K108 A115 L118 E119K108-V128 HydrophobicContact CD-CG1 4.03Å; K108-V128 WeakPolarHBondContact CE-O 3.33Å; K108-V128 HydrophobicContact CG-CG1 3.98Å; A115-V128 HydrophobicContact CB-CG1 4.06Å; L118-V128 HydrophobicContact CB-CG2 3.56Å; E119-V128 HydrophobicContact CG-CB 3.81Å; E119-V128 HydrophobicContact CG-CG1 4.32Å; E119-V128 HydrophobicContact CG-CG2 3.63Å
129V97.9Very high97.3Very high11 Ų1160.1 Ų60.17%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-128.3132.2-171.8-174.30000109.4F102 A103 G104 C105 L131 A142 Y145F102-V129 HydrophobicContact CD1-CG2 4.18Å; A103-V129 PolarHBondContact O-N 3.47Å; G104-V129 CarbonylContact C-O 3.38Å; G104-V129 WeakPolarHBondContact CA-O 3.41Å; C105-V129 PolarHBondContact N-O 3.49Å; V129-L131 PolarHBondContact O-N 2.89Å; V129-A142 HydrophobicContact CG1-CB 3.84Å; V129-Y145 HydrophobicContact CG1-CD1 4.46Å; V129-Y145 HydrophobicContact CG2-CD1 3.58Å; V129-Y145 HydrophobicContact CG2-CE1 3.61Å
130Q98.4Very high97.4Very high31 Ų3162.8 Ų62.815%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-67.2121.7170.1174.360.447.200109C105 L106 K108 D109C105-Q130 WeakPolarHBondContact O-CA 3.5Å; L106-Q130 PolarHBondContact O-NE2 2.88Å; L106-Q130 PolarHBondContact O-OE1 3.5Å; K108-Q130 HydrophobicContact CB-CB 4.16Å; K108-Q130 HydrophobicContact CD-CB 4.18Å; K108-Q130 VanDerWaalsContact CD-N 3.35Å; K108-Q130 VanDerWaalsContact N-OE1 3.11Å; D109-Q130 HydrophobicContact CB-CG 4.4Å; D109-Q130 WeakPolarHBondContact OD2-CG 3.39Å
131L98.8Very high97.5Very high5 Ų560.8 Ų60.83%0.02630%0.303CS..  trans-151.396.8-176.8-176.757.4000112.6L78 T80 C105 V129 V139 A142L78-L131 HydrophobicContact CD1-CD2 4.24Å; T80-L131 HydrophobicContact CG2-CD2 3.81Å; C105-L131 PolarHBondContact O-N 2.87Å; V129-L131 PolarHBondContact O-N 2.89Å; L131-V139 HydrophobicContact CD1-CB 4.42Å; L131-V139 HydrophobicContact CD1-CG2 3.85Å; L131-A142 HydrophobicContact CD1-CB 3.97Å
132D98.7Very high97.7Very high47 Ų4757.5 Ų57.525%0.25129%0.289SS..  trans-83.4114.3157.6-174.2-5.8000109.9L106 C134 S135L106-D132 HydrophobicContact CD1-CB 3.58Å; D132-C134 PolarHBondContact O-N 2.7Å; D132-C134 VanDerWaalsContact OD1-CB 3.29Å; D132-C134 WeakPolarHBondContact OD1-CB 3.25Å; D132-C134 PolarHBondContact OD1-N 3.38Å; D132-C134 PolarHBondContact OD1-SG 3.14Å; D132-C134 VanDerWaalsContact OD1-SG 3.4Å; D132-S135 PolarHBondContact O-N 3.37Å; D132-S135 VanDerWaalsContact O-N 3.08Å
133V98.8Very high98Very high6 Ų649.9 Ų49.94%0.03626%0.255CS..THydrogen-bonded Turntrans-66.4-14.1178.9-57.30000113.1T80 A164 V186 G190 R193 V194T80-V133 HydrophobicContact CG2-CG1 4.12Å; V133-A164 HydrophobicContact CG1-CB 3.8Å; V133-A164 HydrophobicContact CG2-CB 4.16Å; V133-V186 HydrophobicContact CG2-CG1 4.05Å; V133-G190 WeakPolarHBondContact O-CA 3.4Å; V133-R193 WeakPolarHBondContact O-CD 3.41Å; V133-R193 PolarHBondContact O-NH1 3.46Å; V133-V194 HydrophobicContact CB-CG2 4.07Å; V133-V194 HydrophobicContact CG1-CG2 3.8Å
134C98.7Very high98.1Very high40 Ų4052.8 Ų52.827%0.2726%0.264SS..THydrogen-bonded Turntrans-83.2-15.9175.4-49.80000112.4D132 E185D132-C134 PolarHBondContact O-N 2.7Å; D132-C134 VanDerWaalsContact OD1-CB 3.29Å; D132-C134 WeakPolarHBondContact OD1-CB 3.25Å; D132-C134 PolarHBondContact OD1-N 3.38Å; D132-C134 PolarHBondContact OD1-SG 3.14Å; D132-C134 VanDerWaalsContact OD1-SG 3.4Å; C134-E185 HydrophobicContact CB-CG 4.13Å
135S98.7Very high98.3Very high29 Ų2950.3 Ų50.320%0.20325%0.245CC..  trans-100.6113.6-176176.50000111.6D132 E137 Q138 V139D132-S135 PolarHBondContact O-N 3.37Å; D132-S135 VanDerWaalsContact O-N 3.08Å; S135-E137 PolarHBondContact O-N 3.19Å; S135-Q138 PolarHBondContact O-N 2.97Å; S135-Q138 PolarHBondContact OG-N 2.87Å; S135-V139 VanDerWaalsContact O-CG2 3.28Å; S135-V139 WeakPolarHBondContact O-CG2 3.44Å; S135-V139 PolarHBondContact O-N 3.01Å
136D98.5Very high98.3Very high112 Ų11246.6 Ų46.660%0.59923%0.231SC*.Hα-helixtrans-57.9-35.5173.9-69.2-43.5000112.2K140 R193D136-K140 VanDerWaalsContact O-CB 3.31Å; D136-K140 WeakPolarHBondContact O-CB 3.24Å; D136-K140 PolarHBondContact O-N 3.33Å; D136-R193 WeakPolarHBondContact OD1-CD 3.26Å; D136-R193 WeakPolarHBondContact OD1-CG 3.23Å; D136-R193 IonicContact OD1-CZ 2.72Å; D136-R193 IonicContact OD1-NE 2.78Å; D136-R193 PolarHBondContact OD1-NE 3.48Å
137E98.6Very high98.2Very high137 Ų13749.7 Ų49.764%0.6424%0.244SC*.Hα-helixtrans-66.9-50.1178.1-174.9-179.9177.900111.7S135 V139 K140 N141S135-E137 PolarHBondContact O-N 3.19Å; E137-V139 VanDerWaalsContact C-N 3.34Å; E137-V139 PolarHBondContact O-N 3.43Å; E137-K140 WeakPolarHBondContact O-CB 3.24Å; E137-K140 PolarHBondContact O-N 3.38Å; E137-N141 WeakPolarHBondContact O-CB 3.25Å; E137-N141 PolarHBondContact O-N 2.69Å; E137-N141 PolarHBondContact O-ND2 3.33Å
138Q98.6Very high98.1Very high53 Ų5351.1 Ų51.125%0.24827%0.269CS..Hα-helixtrans-65.5-38.3179.1-66.7-172.132.700111.6S135 K140 N141 A142S135-Q138 PolarHBondContact O-N 2.97Å; S135-Q138 PolarHBondContact OG-N 2.87Å; Q138-K140 VanDerWaalsContact C-N 3.34Å; Q138-K140 PolarHBondContact O-N 3.02Å; Q138-N141 PolarHBondContact O-N 3.46Å; Q138-A142 WeakPolarHBondContact O-CB 3.4Å; Q138-A142 PolarHBondContact O-N 3.12Å
139V98.9Very high97.9Very high6 Ų652.9 Ų52.94%0.03628%0.278CS..Hα-helixtrans-60.4-44.6173.61730000110.9L131 S135 E137 A142 V143 R193 V194 A197L131-V139 HydrophobicContact CD1-CB 4.42Å; L131-V139 HydrophobicContact CD1-CG2 3.85Å; S135-V139 VanDerWaalsContact O-CG2 3.28Å; S135-V139 WeakPolarHBondContact O-CG2 3.44Å; S135-V139 PolarHBondContact O-N 3.01Å; E137-V139 VanDerWaalsContact C-N 3.34Å; E137-V139 PolarHBondContact O-N 3.43Å; V139-A142 PolarHBondContact O-N 3.39Å; V139-V143 WeakPolarHBondContact O-CG2 3.26Å; V139-V143 PolarHBondContact O-N 3.32Å; V139-R193 HydrophobicContact CG1-CG 4.4Å; V139-R193 HydrophobicContact CG2-CG 4.18Å; V139-V194 HydrophobicContact CG1-CG2 4.46Å; V139-V194 HydrophobicContact CG2-CG2 3.91Å; V139-A197 HydrophobicContact CG1-CB 3.47Å; V139-A197 VanDerWaalsContact CG1-CB 3.47Å
140K98.6Very high97.7Very high141 Ų14153.4 Ų53.461%0.61328%0.28SS*.Hα-helixtrans-62.1-46176.2-177.4-175.5176-171.80111.7D136 E137 Q138 A142 V143 E144D136-K140 VanDerWaalsContact O-CB 3.31Å; D136-K140 WeakPolarHBondContact O-CB 3.24Å; D136-K140 PolarHBondContact O-N 3.33Å; E137-K140 WeakPolarHBondContact O-CB 3.24Å; E137-K140 PolarHBondContact O-N 3.38Å; Q138-K140 VanDerWaalsContact C-N 3.34Å; Q138-K140 PolarHBondContact O-N 3.02Å; K140-A142 VanDerWaalsContact C-N 3.34Å; K140-A142 PolarHBondContact O-N 3.04Å; K140-V143 WeakPolarHBondContact O-CB 3.35Å; K140-V143 PolarHBondContact O-N 3.14Å; K140-E144 PolarHBondContact O-N 3.06Å
141N98.5Very high96.9Very high88 Ų8860 Ų6047%0.47131%0.311SS..Hα-helixtrans-62.8-41.5179.4-67.9-15000111.4E137 Q138 V143 E144 Y145E137-N141 WeakPolarHBondContact O-CB 3.25Å; E137-N141 PolarHBondContact O-N 2.69Å; E137-N141 PolarHBondContact O-ND2 3.33Å; Q138-N141 PolarHBondContact O-N 3.46Å; N141-V143 VanDerWaalsContact C-N 3.34Å; N141-V143 PolarHBondContact O-N 2.82Å; N141-E144 PolarHBondContact O-N 2.77Å; N141-Y145 WeakPolarHBondContact O-CB 3.19Å; N141-Y145 PolarHBondContact O-N 3.26Å
142A98.4Very high96Very high4 Ų463.6 Ų63.63%0.03333%0.33CS..Hα-helixtrans-61.2-41.5174.300000111.9V129 L131 Q138 V139 K140 Y145 I146V129-A142 HydrophobicContact CG1-CB 3.84Å; L131-A142 HydrophobicContact CD1-CB 3.97Å; Q138-A142 WeakPolarHBondContact O-CB 3.4Å; Q138-A142 PolarHBondContact O-N 3.12Å; V139-A142 PolarHBondContact O-N 3.39Å; K140-A142 VanDerWaalsContact C-N 3.34Å; K140-A142 PolarHBondContact O-N 3.04Å; A142-Y145 PolarHBondContact O-N 2.66Å; A142-I146 WeakPolarHBondContact O-CB 3.36Å; A142-I146 WeakPolarHBondContact O-CD1 3.23Å; A142-I146 WeakPolarHBondContact O-CG1 3.33Å; A142-I146 PolarHBondContact O-N 3.29Å
143V98.1Very high94.6Very high10 Ų1064.6 Ų64.66%0.06134%0.341CS..Hα-helixtrans-61.8-44.6175.7168.90000111.9V139 K140 N141 I146 K147 A197 V198 L201V139-V143 WeakPolarHBondContact O-CG2 3.26Å; V139-V143 PolarHBondContact O-N 3.32Å; K140-V143 WeakPolarHBondContact O-CB 3.35Å; K140-V143 PolarHBondContact O-N 3.14Å; N141-V143 VanDerWaalsContact C-N 3.34Å; N141-V143 PolarHBondContact O-N 2.82Å; V143-I146 PolarHBondContact O-N 3.45Å; V143-K147 HydrophobicContact CG1-CD 4.3Å; V143-K147 WeakPolarHBondContact O-CG 3.45Å; V143-K147 PolarHBondContact O-N 3.34Å; V143-A197 HydrophobicContact CG2-CB 3.86Å; V143-V198 HydrophobicContact CG2-CG1 3.87Å; V143-L201 HydrophobicContact CG1-CD1 4.33Å
144E97.8Very high93.2Very high98 Ų9871.3 Ų71.346%0.45837%0.372SS..Hα-helixtrans-65.9-41.5177.3-65.4-49133.100111.8K140 N141 I146 K147 G148K140-E144 PolarHBondContact O-N 3.06Å; N141-E144 PolarHBondContact O-N 2.77Å; E144-I146 PolarHBondContact O-N 3.41Å; E144-K147 PolarHBondContact O-N 3.04Å; E144-K147 IonicContact OE1-NZ 2.84Å; E144-K147 PolarHBondContact OE1-NZ 3.45Å; E144-K147 IonicContact OE2-NZ 3.55Å; E144-G148 PolarHBondContact O-N 2.83Å
145Y97.8Very high92.3Very high94 Ų9474.5 Ų74.537%0.36938%0.378SS..Hα-helixtrans-59.7-44.9174.3-178.8-95.4000112F102 K127 V129 N141 A142 G148 N149F102-Y145 HydrophobicContact CD1-CD1 4.13Å; F102-Y145 HydrophobicContact CD1-CE1 4Å; F102-Y145 HydrophobicContact CE1-CD1 4.02Å; F102-Y145 AromaticContact CE1-CE1 3.87Å; F102-Y145 HydrophobicContact CE1-CE1 3.87Å; K127-Y145 HydrophobicContact CB-CE1 4.23Å; V129-Y145 HydrophobicContact CG1-CD1 4.46Å; V129-Y145 HydrophobicContact CG2-CD1 3.58Å; V129-Y145 HydrophobicContact CG2-CE1 3.61Å; N141-Y145 WeakPolarHBondContact O-CB 3.19Å; N141-Y145 PolarHBondContact O-N 3.26Å; A142-Y145 PolarHBondContact O-N 2.66Å; Y145-G148 PolarHBondContact O-N 3Å; Y145-N149 WeakPolarHBondContact CE2-ND2 3.45Å; Y145-N149 WeakPolarHBondContact O-CB 3.41Å; Y145-N149 PolarHBondContact O-N 3.09Å; Y145-N149 PolarHBondContact O-ND2 3Å
146I97.1Very high92Very high1 Ų173.5 Ų73.51%0.00537%0.372CS..Hα-helixtrans-58.6-50.4175.6-70.6160.8000110.1L78 F102 A142 V143 E144 G148 N149 L150 L157 L201L78-I146 HydrophobicContact CB-CD1 4.34Å; L78-I146 HydrophobicContact CD1-CD1 4.1Å; L78-I146 HydrophobicContact CD2-CD1 3.91Å; L78-I146 HydrophobicContact CG-CD1 4.34Å; F102-I146 HydrophobicContact CB-CG1 4.31Å; F102-I146 HydrophobicContact CD1-CG1 3.72Å; F102-I146 HydrophobicContact CD2-CG1 4.14Å; F102-I146 HydrophobicContact CD2-CG2 4.42Å; F102-I146 HydrophobicContact CE1-CB 4.34Å; F102-I146 HydrophobicContact CE1-CG1 3.96Å; F102-I146 HydrophobicContact CE2-CG1 4.36Å; F102-I146 HydrophobicContact CE2-CG2 4.07Å; F102-I146 HydrophobicContact CG-CG1 3.81Å; F102-I146 HydrophobicContact CZ-CB 4.33Å; F102-I146 HydrophobicContact CZ-CG1 4.27Å; F102-I146 HydrophobicContact CZ-CG2 4.2Å; A142-I146 WeakPolarHBondContact O-CB 3.36Å; A142-I146 WeakPolarHBondContact O-CD1 3.23Å; A142-I146 WeakPolarHBondContact O-CG1 3.33Å; A142-I146 PolarHBondContact O-N 3.29Å; V143-I146 PolarHBondContact O-N 3.45Å; E144-I146 PolarHBondContact O-N 3.41Å; I146-G148 VanDerWaalsContact C-N 3.28Å; I146-G148 PolarHBondContact O-N 2.88Å; I146-N149 CarbonylContact O-C 3.35Å; I146-N149 PolarHBondContact O-N 2.86Å; I146-L150 HydrophobicContact CG2-CD1 4.01Å; I146-L150 HydrophobicContact CG2-CG 4.14Å; I146-L150 WeakPolarHBondContact O-CG 3.48Å; I146-L150 PolarHBondContact O-N 3.2Å; I146-L150 VanDerWaalsContact O-N 3.09Å; I146-L157 HydrophobicContact CG2-CD1 4.13Å; I146-L201 HydrophobicContact CG2-CD1 4.32Å
147K95.6Very high92Very high81 Ų8168.1 Ų68.135%0.35234%0.344SS..Hα-helixtrans-56-42.5180-73.6169.5-175.9169.70112.5V143 E144 N149 L201V143-K147 HydrophobicContact CG1-CD 4.3Å; V143-K147 WeakPolarHBondContact O-CG 3.45Å; V143-K147 PolarHBondContact O-N 3.34Å; E144-K147 PolarHBondContact O-N 3.04Å; E144-K147 IonicContact OE1-NZ 2.84Å; E144-K147 PolarHBondContact OE1-NZ 3.45Å; E144-K147 IonicContact OE2-NZ 3.55Å; K147-N149 PolarHBondContact O-N 2.99Å; K147-L201 HydrophobicContact CG-CD1 4.2Å; K147-L201 HydrophobicContact CG-CD2 4.06Å
148G95.3Very high92Very high66 Ų6662.4 Ų62.468%0.6832%0.316SS*.Hα-helixtrans-71-16.1178.700000114.5E144 Y145 I146E144-G148 PolarHBondContact O-N 2.83Å; Y145-G148 PolarHBondContact O-N 3Å; I146-G148 VanDerWaalsContact C-N 3.28Å; I146-G148 PolarHBondContact O-N 2.88Å
149N94.7Very high92Very high50 Ų5059.9 Ų59.927%0.26730%0.304SS..Hα-helixtrans-1156.3-174.4-79.7-87.8000113.9F102 K127 Y145 I146 K147F102-N149 HydrophobicContact CE1-CB 3.71Å; F102-N149 HydrophobicContact CZ-CB 3.71Å; K127-N149 HydrophobicContact CD-CB 3.88Å; K127-N149 PolarHBondContact NZ-OD1 2.98Å; Y145-N149 WeakPolarHBondContact CE2-ND2 3.45Å; Y145-N149 WeakPolarHBondContact O-CB 3.41Å; Y145-N149 PolarHBondContact O-N 3.09Å; Y145-N149 PolarHBondContact O-ND2 3Å; I146-N149 CarbonylContact O-C 3.35Å; I146-N149 PolarHBondContact O-N 2.86Å; K147-N149 PolarHBondContact O-N 2.99Å
150L92.7Very high92Very high22 Ų2259.6 Ų59.612%0.11530%0.302CS..  trans-83.1127.7170.4-73.5170.3000109.4A76 F102 I146 D152 L201A76-L150 HydrophobicContact CB-CD2 3.5Å; A76-L150 VanDerWaalsContact CB-CD2 3.5Å; F102-L150 HydrophobicContact CE2-CD2 4.16Å; I146-L150 HydrophobicContact CG2-CD1 4.01Å; I146-L150 HydrophobicContact CG2-CG 4.14Å; I146-L150 WeakPolarHBondContact O-CG 3.48Å; I146-L150 PolarHBondContact O-N 3.2Å; I146-L150 VanDerWaalsContact O-N 3.09Å; L150-D152 PolarHBondContact O-N 2.88Å; L150-L201 HydrophobicContact CD1-CD2 4.26Å
151E81.8Confident92Very high170 Ų17052.9 Ų52.979%0.79427%0.273SS*.SBendtrans-56.6-35.7177.8-65.7177.117900112.4
152D79.7Confident92Very high80 Ų8048.8 Ų48.843%0.42825%0.251SS..  trans-130.999.3175.4-178.1-4.3000109.5L150 Q154 R155 G156L150-D152 PolarHBondContact O-N 2.88Å; D152-Q154 PolarHBondContact O-N 2.75Å; D152-Q154 WeakPolarHBondContact OD1-CA 3.49Å; D152-Q154 VanDerWaalsContact OD1-CB 3.24Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.38Å; D152-Q154 PolarHBondContact OD1-N 3.4Å; D152-R155 HydrophobicContact CB-CB 3.82Å; D152-R155 WeakPolarHBondContact O-CB 3.31Å; D152-R155 PolarHBondContact O-N 2.85Å; D152-R155 PolarHBondContact OD1-N 3.27Å; D152-G156 PolarHBondContact O-N 3.4Å
153S69Low92Very high69 Ų6949.6 Ų49.648%0.48326%0.255SS..THydrogen-bonded Turntrans-59.8-23.717862.10000113.3
154Q70.3Confident92.1Very high147 Ų14749.8 Ų49.869%0.68726%0.258SS*.THydrogen-bonded Turntrans-76.4-30.8175.1-59.7-63.7-42.900111.6D152 G156D152-Q154 PolarHBondContact O-N 2.75Å; D152-Q154 WeakPolarHBondContact OD1-CA 3.49Å; D152-Q154 VanDerWaalsContact OD1-CB 3.24Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.38Å; D152-Q154 PolarHBondContact OD1-N 3.4Å; Q154-G156 VanDerWaalsContact C-N 3.33Å
155R78.9Confident92.1Very high107 Ų10746.6 Ų46.640%0.40425%0.251SS..THydrogen-bonded Turntrans-71.3-27.3177.8-158.5171.5-172.5-176.5-1.7112.8D152 A205D152-R155 HydrophobicContact CB-CB 3.82Å; D152-R155 WeakPolarHBondContact O-CB 3.31Å; D152-R155 PolarHBondContact O-N 2.85Å; D152-R155 PolarHBondContact OD1-N 3.27Å; R155-A205 WeakPolarHBondContact O-CA 3.31Å; R155-A205 WeakPolarHBondContact O-CB 3.29Å; R155-A205 PolarHBondContact O-N 3.22Å
156G93.9Very high92Very high7 Ų745.1 Ų45.17%0.07225%0.252CS..  trans74.7-169.4177.500000114D152 Q154D152-G156 PolarHBondContact O-N 3.4Å; Q154-G156 VanDerWaalsContact C-N 3.33Å
157L97.8Very high91.9Very high0 Ų046 Ų460%026%0.259CS..  trans-87.2130178.8-178.767.5000108.7A76 L78 F102 I146 V198 L201 I202 A205A76-L157 HydrophobicContact CB-CD1 3.97Å; A76-L157 VanDerWaalsContact O-CD1 3.31Å; A76-L157 WeakPolarHBondContact O-CD1 3.17Å; L78-L157 HydrophobicContact CB-CD2 3.94Å; F102-L157 HydrophobicContact CD2-CD1 4.35Å; I146-L157 HydrophobicContact CG2-CD1 4.13Å; L157-V198 HydrophobicContact CD2-CB 4.1Å; L157-V198 HydrophobicContact CD2-CG1 4.29Å; L157-L201 HydrophobicContact CB-CB 3.69Å; L157-L201 PolarHBondContact N-O 3.44Å; L157-I202 HydrophobicContact CB-CD1 3.97Å; L157-I202 HydrophobicContact CD2-CD1 3.75Å; L157-I202 HydrophobicContact CG-CD1 3.75Å; L157-I202 WeakPolarHBondContact O-CA 3.39Å; L157-I202 WeakPolarHBondContact O-CD1 3.42Å; L157-A205 WeakPolarHBondContact O-CB 3.34Å
158W98.3Very high91.9Very high16 Ų1642.9 Ų42.96%0.06125%0.246CC..  trans-73.5-45.2-177.4172.4-112.3000112.2V70 K75 A76 A205 G207 R208 I325V70-W158 HydrophobicContact CB-CZ2 4.34Å; V70-W158 HydrophobicContact CG1-CH2 4.19Å; V70-W158 HydrophobicContact CG1-CZ2 4.11Å; V70-W158 HydrophobicContact CG2-CH2 4.37Å; V70-W158 HydrophobicContact CG2-CZ2 3.66Å; K75-W158 HydrophobicContact CB-CB 3.7Å; K75-W158 HydrophobicContact CB-CG 3.76Å; K75-W158 HydrophobicContact CD-CB 4.42Å; K75-W158 HydrophobicContact CD-CD2 3.62Å; K75-W158 HydrophobicContact CD-CE3 4.24Å; K75-W158 HydrophobicContact CD-CG 3.67Å; K75-W158 HydrophobicContact CD-CZ2 4.29Å; K75-W158 HydrophobicContact CG-CB 4.05Å; K75-W158 HydrophobicContact CG-CD2 4.14Å; K75-W158 HydrophobicContact CG-CG 3.86Å; K75-W158 VanDerWaalsContact NZ-CD2 3.33Å; A76-W158 WeakPolarHBondContact O-CA 3.46Å; A76-W158 VanDerWaalsContact O-CB 3.27Å; A76-W158 WeakPolarHBondContact O-CB 3.35Å; A76-W158 PolarHBondContact O-N 2.8Å; W158-A205 HydrophobicContact CE3-CB 4.38Å; W158-A205 WeakPolarHBondContact CZ3-O 3.17Å; W158-G207 CarbonylContact O-C 3.59Å; W158-G207 WeakPolarHBondContact O-CA 3.28Å; W158-R208 HydrophobicContact CZ2-CG 3.92Å; W158-R208 PolarHBondContact O-N 3.08Å; W158-I325 PolarHBondContact NE1-O 3.48Å; W158-I325 VanDerWaalsContact NE1-O 3.14Å
159A98.8Very high91.9Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-144.2152.9-177.400000112.9A76 V77 L78 I202 R208 I325A76-A159 PolarHBondContact O-N 2.94Å; A76-A159 VanDerWaalsContact O-N 3.14Å; V77-A159 CarbonylContact C-O 3.59Å; V77-A159 WeakPolarHBondContact CA-O 3.39Å; V77-A159 HydrophobicContact CB-CB 4.39Å; V77-A159 HydrophobicContact CG1-CB 3.96Å; V77-A159 HydrophobicContact CG2-CB 3.99Å; L78-A159 PolarHBondContact N-O 2.87Å; A159-I202 VanDerWaalsContact C-CD1 3.47Å; A159-R208 VanDerWaalsContact CA-O 3.25Å; A159-R208 WeakPolarHBondContact CA-O 3.45Å; A159-R208 HydrophobicContact CB-CB 3.76Å; A159-R208 HydrophobicContact CB-CG 4.46Å; A159-I325 HydrophobicContact CB-CG1 4.24Å; A159-I325 HydrophobicContact CB-CG2 4.2Å
160V98.9Very high92Very high0 Ų037.4 Ų37.40%020%0.201CC..EExtended strand (participates in β ladder)trans-122.5133.8161.559.60000108.9L78 V194 V198 I202 R208 V209 V210L78-V160 HydrophobicContact CB-CG2 4.3Å; L78-V160 HydrophobicContact CD2-CG2 4.06Å; L78-V160 HydrophobicContact CG-CG2 4.26Å; L78-V160 CarbonylContact O-C 3.58Å; L78-V160 WeakPolarHBondContact O-CA 3.3Å; V160-V194 HydrophobicContact CG2-CG1 4.06Å; V160-V198 HydrophobicContact CB-CG2 3.86Å; V160-V198 HydrophobicContact CG1-CG2 3.78Å; V160-V198 HydrophobicContact CG2-CG2 4.07Å; V160-I202 HydrophobicContact CB-CD1 4.3Å; V160-I202 HydrophobicContact CG1-CD1 4.21Å; V160-I202 HydrophobicContact CG1-CG1 4.24Å; V160-R208 PolarHBondContact N-O 3.17Å; V160-V209 HydrophobicContact CG1-CB 4.3Å; V160-V209 HydrophobicContact CG1-CG1 4.09Å; V160-V209 HydrophobicContact CG1-CG2 4.02Å; V160-V210 PolarHBondContact O-N 3.45Å
161V98.9Very high92.1Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-112.5102172.8-172.50000107.7V77 L78 I79 T80 L90 N163 V210 I212 I321 I325V77-V161 HydrophobicContact CG1-CG2 3.98Å; L78-V161 PolarHBondContact O-N 3.31Å; I79-V161 HydrophobicContact CG1-CB 4.32Å; I79-V161 HydrophobicContact CG1-CG2 4.39Å; I79-V161 HydrophobicContact CG2-CB 4.3Å; T80-V161 PolarHBondContact N-O 2.86Å; L90-V161 HydrophobicContact CD2-CB 4.25Å; L90-V161 HydrophobicContact CD2-CG1 3.83Å; L90-V161 HydrophobicContact CD2-CG2 4.14Å; V161-N163 HydrophobicContact CG1-CB 4.25Å; V161-N163 PolarHBondContact O-N 2.78Å; V161-N163 VanDerWaalsContact O-N 3.09Å; V161-V210 CarbonylContact C-O 3.55Å; V161-V210 VanDerWaalsContact CA-O 3.31Å; V161-V210 WeakPolarHBondContact CA-O 3.37Å; V161-V210 HydrophobicContact CG1-CB 4.37Å; V161-V210 HydrophobicContact CG1-CG1 4.43Å; V161-V210 HydrophobicContact CG2-CB 4.24Å; V161-I212 HydrophobicContact CG1-CD1 4.29Å; V161-I212 HydrophobicContact CG1-CG1 4.4Å; V161-I321 HydrophobicContact CG1-CG2 4.16Å; V161-I321 HydrophobicContact CG2-CG2 4.13Å; V161-I325 HydrophobicContact CG2-CD1 3.81Å; V161-I325 HydrophobicContact CG2-CG1 4.5Å
162N98.9Very high92.8Very high2 Ų234.4 Ų34.41%0.01119%0.193CC..EExtended strand (participates in β ladder)trans-79.890.9174.7-65.2-65.5000108.7T191 V194 T195 V210 N211 I212N162-T191 HydrophobicContact CB-CG2 3.82Å; N162-V194 WeakPolarHBondContact OD1-CG1 3.35Å; N162-T195 PolarHBondContact ND2-OG1 3.34Å; N162-V210 PolarHBondContact N-O 3.38Å; N162-N211 PolarHBondContact ND2-OD1 2.9Å; N162-I212 WeakPolarHBondContact O-CG1 3.34Å; N162-I212 PolarHBondContact O-N 3.26Å
163N98.8Very high93.6Very high22 Ų2235.6 Ų35.612%0.11820%0.196CC..  trans-107.7-27.8-176.9161.684.8000112.9I79 T80 G81 F86 G87 V161 G165 I212I79-N163 HydrophobicContact CG2-CB 4.46Å; T80-N163 CarbonylContact O-C 3.54Å; T80-N163 VanDerWaalsContact O-CB 3.24Å; T80-N163 WeakPolarHBondContact O-CB 3.16Å; T80-N163 PolarHBondContact O-ND2 3.26Å; T80-N163 PolarHBondContact OG1-N 2.85Å; G81-N163 PolarHBondContact O-ND2 2.92Å; F86-N163 WeakPolarHBondContact CB-OD1 2.95Å; G87-N163 WeakPolarHBondContact CA-ND2 3.46Å; G87-N163 PolarHBondContact N-ND2 2.85Å; V161-N163 HydrophobicContact CG1-CB 4.25Å; V161-N163 PolarHBondContact O-N 2.78Å; V161-N163 VanDerWaalsContact O-N 3.09Å; N163-G165 PolarHBondContact O-N 2.9Å; N163-I212 HydrophobicContact CB-CG1 3.81Å
164A98.4Very high94.9Very high14 Ų1432.7 Ų32.712%0.11617%0.174CC..  trans-49.4126.817800000111.2T80 V133T80-A164 PolarHBondContact O-N 2.79Å; T80-A164 VanDerWaalsContact O-N 3.13Å; T80-A164 WeakPolarHBondContact OG1-CB 3.17Å; T80-A164 PolarHBondContact OG1-N 3.28Å; V133-A164 HydrophobicContact CG1-CB 3.8Å; V133-A164 HydrophobicContact CG2-CB 4.16Å
165G97.6Very high96.2Very high31 Ų3126.1 Ų26.132%0.3215%0.145SC..  trans-172.6154.7-179.600000113.1N163 N187N163-G165 PolarHBondContact O-N 2.9Å; G165-N187 WeakPolarHBondContact CA-OD1 3.32Å
166V97.5Very high97Very high62 Ų6222.8 Ų22.838%0.37614%0.138SC..  trans-119.3152.5176.3-63.40000109.9V183 V186 N187 Y227V166-V183 HydrophobicContact CG2-CB 4.49Å; V166-V183 HydrophobicContact CG2-CG1 4.41Å; V166-V183 HydrophobicContact CG2-CG2 4.33Å; V166-V186 HydrophobicContact CG1-CG1 4.35Å; V166-V186 HydrophobicContact CG1-CG2 4.41Å; V166-V186 HydrophobicContact CG2-CB 4.16Å; V166-V186 HydrophobicContact CG2-CG2 4.24Å; V166-N187 PolarHBondContact N-OD1 3.34Å; V166-N187 PolarHBondContact O-ND2 2.95Å; V166-N187 PolarHBondContact O-OD1 2.95Å; V166-Y227 WeakPolarHBondContact O-CD2 3.31Å; V166-Y227 WeakPolarHBondContact O-CE2 3.3Å
167S95Very high97.1Very high21 Ų2128.2 Ų28.215%0.14716%0.163CC..  trans-114.4148.1170.9-174.60000109.9
168T95.1Very high97.1Very high14 Ų1432.4 Ų32.49%0.08619%0.185CC..  trans-138.2179.7168.7-164.30000109.9T179 V183 R224 P226T168-T179 HydrophobicContact CG2-CG2 4.01Å; T168-V183 HydrophobicContact CG2-CG2 3.62Å; T168-R224 PolarHBondContact O-NH1 3.29Å; T168-P226 HydrophobicContact CG2-CB 3.77Å; T168-P226 HydrophobicContact CG2-CG 4.01Å
169F95.8Very high97Very high0 Ų032.1 Ų32.10%019%0.185CC..  trans-150.4170.5171.261.5-87.6000111.1L223 L267 V272 T275 L279 M300 M303F169-L223 CarbonylContact C-O 3.6Å; F169-L223 WeakPolarHBondContact CA-O 3.47Å; F169-L223 HydrophobicContact CB-CB 4.48Å; F169-L223 WeakPolarHBondContact CB-O 3.36Å; F169-L267 HydrophobicContact CD1-CD2 4.39Å; F169-V272 HydrophobicContact CE1-CB 4.14Å; F169-V272 HydrophobicContact CE1-CG1 4.08Å; F169-V272 HydrophobicContact CE1-CG2 3.84Å; F169-V272 HydrophobicContact CZ-CB 4.25Å; F169-V272 HydrophobicContact CZ-CG1 3.78Å; F169-V272 HydrophobicContact CZ-CG2 4.39Å; F169-V272 WeakPolarHBondContact CZ-O 3.33Å; F169-T275 HydrophobicContact CD1-CG2 4.15Å; F169-T275 HydrophobicContact CE1-CG2 3.7Å; F169-T275 HydrophobicContact CE2-CG2 4.18Å; F169-T275 HydrophobicContact CZ-CG2 3.73Å; F169-L279 HydrophobicContact CD2-CD1 4.14Å; F169-L279 HydrophobicContact CE2-CD1 3.99Å; F169-L279 WeakPolarHBondContact O-CD1 3.45Å; F169-M300 HydrophobicContact CD2-CE 4.18Å; F169-M300 HydrophobicContact CD2-SD 4.46Å; F169-M300 HydrophobicContact CE2-CE 3.89Å; F169-M300 HydrophobicContact CE2-SD 3.6Å; F169-M300 VanDerWaalsContact CE2-SD 3.6Å; F169-M300 HydrophobicContact CZ-SD 4.44Å; F169-M303 HydrophobicContact CB-CE 3.56Å; F169-M303 HydrophobicContact CB-CG 4.5Å; F169-M303 HydrophobicContact CB-SD 3.96Å; F169-M303 HydrophobicContact CD1-CE 3.47Å; F169-M303 VanDerWaalsContact CD1-CE 3.47Å; F169-M303 HydrophobicContact CD2-CB 4.24Å; F169-M303 HydrophobicContact CD2-CE 3.98Å; F169-M303 HydrophobicContact CD2-CG 3.61Å; F169-M303 HydrophobicContact CD2-SD 4.19Å; F169-M303 HydrophobicContact CE1-CE 4.16Å; F169-M303 HydrophobicContact CE2-CB 4.13Å; F169-M303 HydrophobicContact CE2-CG 3.97Å; F169-M303 HydrophobicContact CG-CE 3.36Å; F169-M303 HydrophobicContact CG-CG 4.01Å; F169-M303 HydrophobicContact CG-SD 4.01Å; F169-M303 HydrophobicContact CZ-CB 4.41Å
170G95.4Very high96.9Very high1 Ų133.8 Ų33.81%0.0119%0.192CC..BIsolated β-bridgetrans143.1148.9177.300000111.4L223G170-L223 PolarHBondContact N-O 2.8Å; G170-L223 CarbonylContact O-C 3.6Å; G170-L223 VanDerWaalsContact O-CA 3.25Å; G170-L223 WeakPolarHBondContact O-CA 3.3Å
171E95.8Very high96.9Very high37 Ų3740.9 Ų40.917%0.17322%0.218CC..  trans-63.9154.1168.7-66.7-175.9102.800110E173 F174 T175 L223 H295E171-E173 VanDerWaalsContact C-N 3.29Å; E171-E173 PolarHBondContact O-N 3.43Å; E171-F174 HydrophobicContact CB-CD2 3.98Å; E171-F174 PolarHBondContact O-N 2.76Å; E171-T175 WeakPolarHBondContact O-CG2 3.23Å; E171-T175 PolarHBondContact O-N 3.23Å; E171-T175 PolarHBondContact O-OG1 2.8Å; E171-L223 HydrophobicContact CB-CD2 4.36Å; E171-L223 HydrophobicContact CG-CD2 3.36Å; E171-H295 IonicContact OE1-CE1 2.72Å; E171-H295 IonicContact OE1-NE2 2.79Å; E171-H295 PolarHBondContact OE1-NE2 2.74Å; E171-H295 IonicContact OE2-CD2 3.34Å; E171-H295 PolarHBondContact OE2-CD2 2.97Å; E171-H295 IonicContact OE2-NE2 3.95Å; E171-H295 PolarHBondContact OE2-NE2 3.28Å
172V96.7Very high96.9Very high92 Ų9246.2 Ų46.256%0.55824%0.243SC*.G310 helixtrans-54.7-45.7-170.9173.70000111.7F174 T175V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 3.47Å; V172-T175 PolarHBondContact O-N 3.42Å; V172-T175 PolarHBondContact O-OG1 3.28Å
173E96.5Very high96.8Very high105 Ų10546.5 Ų46.549%0.49125%0.245SC..G310 helixtrans-73.3-23.1-178.5-57.9-157.8141.400114E171 V287 Y291E171-E173 VanDerWaalsContact C-N 3.29Å; E171-E173 PolarHBondContact O-N 3.43Å; E173-V287 HydrophobicContact CB-CG1 4.04Å; E173-V287 HydrophobicContact CB-CG2 4.02Å; E173-Y291 WeakPolarHBondContact OE2-CE2 3.45Å; E173-Y291 PolarHBondContact OE2-OH 2.88Å
174F96.3Very high96.8Very high8 Ų846 Ų464%0.03524%0.244CC..G310 helixtrans-81.8-19.9173-75.8-92.9000112.4E171 V172 L279 W280 A283 V287 Y291 F296E171-F174 HydrophobicContact CB-CD2 3.98Å; E171-F174 PolarHBondContact O-N 2.76Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 3.47Å; F174-L279 HydrophobicContact CB-CD2 4.33Å; F174-L279 VanDerWaalsContact O-CD2 3.23Å; F174-L279 WeakPolarHBondContact O-CD2 3.23Å; F174-W280 AromaticContact CE1-CE3 3.9Å; F174-W280 HydrophobicContact CE1-CE3 3.9Å; F174-W280 HydrophobicContact CE1-CZ3 4.05Å; F174-W280 HydrophobicContact CZ-CZ3 4.36Å; F174-A283 HydrophobicContact CD1-CB 3.63Å; F174-A283 HydrophobicContact CE1-CB 3.86Å; F174-V287 HydrophobicContact CD1-CG1 4.45Å; F174-V287 HydrophobicContact CD2-CG1 3.88Å; F174-V287 HydrophobicContact CE1-CG1 4.15Å; F174-V287 HydrophobicContact CE2-CG1 3.57Å; F174-V287 HydrophobicContact CG-CG1 4.33Å; F174-V287 HydrophobicContact CZ-CG1 3.72Å; F174-Y291 AromaticContact CE2-CD1 3.78Å; F174-Y291 HydrophobicContact CE2-CD1 3.78Å; F174-Y291 HydrophobicContact CE2-CD2 4.39Å; F174-Y291 HydrophobicContact CE2-CE1 4.36Å; F174-Y291 AromaticContact CE2-CG 3.81Å; F174-Y291 HydrophobicContact CE2-CG 3.81Å; F174-Y291 HydrophobicContact CZ-CG 4.28Å; F174-F296 AromaticContact CD1-CD2 3.75Å; F174-F296 HydrophobicContact CD1-CD2 3.75Å; F174-F296 AromaticContact CD1-CE2 3.79Å; F174-F296 HydrophobicContact CD1-CE2 3.79Å; F174-F296 AromaticContact CE1-CD2 3.52Å; F174-F296 HydrophobicContact CE1-CD2 3.52Å; F174-F296 HydrophobicContact CE1-CE2 4.01Å; F174-F296 HydrophobicContact CE1-CG 4.33Å; F174-F296 HydrophobicContact CG-CD2 4.36Å; F174-F296 HydrophobicContact CG-CE2 4.4Å; F174-F296 HydrophobicContact CZ-CB 4.5Å; F174-F296 AromaticContact CZ-CD2 3.93Å; F174-F296 HydrophobicContact CZ-CD2 3.93Å
175T96.3Very high96.8Very high10 Ų1048.1 Ų48.16%0.06125%0.251CS..SBendtrans-90.6116.7179.753.60000111.8E171 V172 Y180 P226 L279E171-T175 WeakPolarHBondContact O-CG2 3.23Å; E171-T175 PolarHBondContact O-N 3.23Å; E171-T175 PolarHBondContact O-OG1 2.8Å; V172-T175 PolarHBondContact O-N 3.42Å; V172-T175 PolarHBondContact O-OG1 3.28Å; T175-Y180 VanDerWaalsContact OG1-CE2 3.28Å; T175-Y180 WeakPolarHBondContact OG1-CE2 3.37Å; T175-Y180 PolarHBondContact OG1-OH 2.84Å; T175-P226 HydrophobicContact CG2-CG 3.9Å; T175-L279 HydrophobicContact CG2-CD2 3.93Å
176S95.8Very high96.9Very high37 Ų3748.1 Ų48.126%0.25924%0.244SC..  trans-69154.8176.662.60000112.9D178 T179 Y180S176-D178 PolarHBondContact O-N 2.81Å; S176-T179 WeakPolarHBondContact O-CA 3.45Å; S176-T179 VanDerWaalsContact O-CB 3.26Å; S176-T179 WeakPolarHBondContact O-CB 3.31Å; S176-T179 PolarHBondContact O-N 2.72Å; S176-T179 PolarHBondContact OG-N 2.96Å; S176-T179 PolarHBondContact OG-OG1 3.34Å; S176-Y180 WeakPolarHBondContact O-CD2 3.36Å; S176-Y180 PolarHBondContact O-N 2.89Å
177M96.8Very high97Very high121 Ų12145.1 Ų45.160%0.59623%0.226SC*.Hα-helixtrans-57.5-31.4173-75.9-55.7-56.600112.9T179 Y180 R181M177-T179 VanDerWaalsContact C-N 3.3Å; M177-T179 PolarHBondContact O-N 3.23Å; M177-Y180 WeakPolarHBondContact O-CB 3.38Å; M177-Y180 PolarHBondContact O-N 3.04Å; M177-R181 WeakPolarHBondContact O-CG 3.24Å; M177-R181 PolarHBondContact O-N 3.13Å
178D96.8Very high97.1Very high88 Ų8845 Ų4547%0.47122%0.224SC..Hα-helixtrans-66.2-33.9174.8-68.1-25.7000112S176 R181 Q182S176-D178 PolarHBondContact O-N 2.81Å; D178-R181 PolarHBondContact O-N 3.06Å; D178-R181 IonicContact OD1-CZ 3.59Å; D178-R181 IonicContact OD1-NH1 3.28Å; D178-R181 PolarHBondContact OD1-NH1 3.29Å; D178-Q182 WeakPolarHBondContact O-CB 3.32Å; D178-Q182 WeakPolarHBondContact O-CG 3.34Å; D178-Q182 PolarHBondContact O-N 2.87Å
179T96.3Very high97.3Very high10 Ų1050.2 Ų50.26%0.06124%0.242CC..Hα-helixtrans-62.9-43.2171.7-57.70000111.2T168 S176 M177 V183 P226T168-T179 HydrophobicContact CG2-CG2 4.01Å; S176-T179 WeakPolarHBondContact O-CA 3.45Å; S176-T179 VanDerWaalsContact O-CB 3.26Å; S176-T179 WeakPolarHBondContact O-CB 3.31Å; S176-T179 PolarHBondContact O-N 2.72Å; S176-T179 PolarHBondContact OG-N 2.96Å; S176-T179 PolarHBondContact OG-OG1 3.34Å; M177-T179 VanDerWaalsContact C-N 3.3Å; M177-T179 PolarHBondContact O-N 3.23Å; T179-V183 HydrophobicContact CG2-CG2 4.5Å; T179-V183 VanDerWaalsContact O-CG2 3.29Å; T179-V183 WeakPolarHBondContact O-CG2 3.41Å; T179-V183 PolarHBondContact O-N 3.36Å; T179-V183 VanDerWaalsContact O-N 3.08Å; T179-P226 HydrophobicContact CG2-CB 4.45Å; T179-P226 HydrophobicContact CG2-CG 4.25Å
180Y98.1Very high97.5Very high35 Ų3550.2 Ų50.214%0.13724%0.242CC..Hα-helixtrans-61.1-44.7174-77-97.9000112.1T175 S176 M177 S184 S225 P226 V229T175-Y180 VanDerWaalsContact OG1-CE2 3.28Å; T175-Y180 WeakPolarHBondContact OG1-CE2 3.37Å; T175-Y180 PolarHBondContact OG1-OH 2.84Å; S176-Y180 WeakPolarHBondContact O-CD2 3.36Å; S176-Y180 PolarHBondContact O-N 2.89Å; M177-Y180 WeakPolarHBondContact O-CB 3.38Å; M177-Y180 PolarHBondContact O-N 3.04Å; Y180-S184 WeakPolarHBondContact O-CB 3.5Å; Y180-S184 PolarHBondContact O-N 2.81Å; Y180-S184 PolarHBondContact O-OG 3.46Å; Y180-S225 WeakPolarHBondContact CE1-OG 3.29Å; Y180-S225 WeakPolarHBondContact OH-CB 3.43Å; Y180-S225 PolarHBondContact OH-OG 3.06Å; Y180-P226 HydrophobicContact CD1-CB 3.98Å; Y180-P226 HydrophobicContact CD1-CG 4.19Å; Y180-P226 HydrophobicContact CD2-CB 4.44Å; Y180-P226 HydrophobicContact CD2-CG 4.07Å; Y180-P226 HydrophobicContact CE1-CB 4.12Å; Y180-P226 HydrophobicContact CE1-CG 3.95Å; Y180-P226 HydrophobicContact CE2-CG 3.83Å; Y180-P226 HydrophobicContact CG-CB 4.14Å; Y180-P226 HydrophobicContact CG-CG 4.24Å; Y180-V229 HydrophobicContact CD1-CG2 4.47Å; Y180-V229 HydrophobicContact CE1-CG2 4.18Å
181R98.4Very high97.6Very high149 Ų14950.5 Ų50.556%0.56224%0.244SC*.Hα-helixtrans-62.1-50178.1-70.7174.6-172.2132-0.4111.3M177 D178 V183 S184 E185M177-R181 WeakPolarHBondContact O-CG 3.24Å; M177-R181 PolarHBondContact O-N 3.13Å; D178-R181 PolarHBondContact O-N 3.06Å; D178-R181 IonicContact OD1-CZ 3.59Å; D178-R181 IonicContact OD1-NH1 3.28Å; D178-R181 PolarHBondContact OD1-NH1 3.29Å; R181-V183 PolarHBondContact O-N 3.39Å; R181-S184 PolarHBondContact O-N 3.44Å; R181-E185 VanDerWaalsContact O-CB 3.28Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 3.03Å
182Q97.8Very high97.8Very high112 Ų11250.3 Ų50.352%0.52324%0.244SC..Hα-helixtrans-59-47.9-178.9-75.5172-8.600112.2D178 E185 V186D178-Q182 WeakPolarHBondContact O-CB 3.32Å; D178-Q182 WeakPolarHBondContact O-CG 3.34Å; D178-Q182 PolarHBondContact O-N 2.87Å; Q182-E185 PolarHBondContact O-N 3Å; Q182-V186 PolarHBondContact O-N 3.26Å
183V98.3Very high97.9Very high7 Ų748.1 Ų48.14%0.04223%0.225CC..Hα-helixtrans-66.1-41.3179.4175.70000111V166 T168 T179 R181 N187 P226V166-V183 HydrophobicContact CG2-CB 4.49Å; V166-V183 HydrophobicContact CG2-CG1 4.41Å; V166-V183 HydrophobicContact CG2-CG2 4.33Å; T168-V183 HydrophobicContact CG2-CG2 3.62Å; T179-V183 HydrophobicContact CG2-CG2 4.5Å; T179-V183 VanDerWaalsContact O-CG2 3.29Å; T179-V183 WeakPolarHBondContact O-CG2 3.41Å; T179-V183 PolarHBondContact O-N 3.36Å; T179-V183 VanDerWaalsContact O-N 3.08Å; R181-V183 PolarHBondContact O-N 3.39Å; V183-N187 VanDerWaalsContact O-CB 3.27Å; V183-N187 WeakPolarHBondContact O-CB 3.26Å; V183-N187 PolarHBondContact O-N 3.05Å; V183-P226 HydrophobicContact CB-CB 4.49Å; V183-P226 HydrophobicContact CG2-CB 4.4Å
184S98.7Very high98Very high13 Ų1343.2 Ų43.29%0.09120%0.203CC..Hα-helixtrans-69-34177.9-57.20000112.3Y180 R181 V186 L188 W189Y180-S184 WeakPolarHBondContact O-CB 3.5Å; Y180-S184 PolarHBondContact O-N 2.81Å; Y180-S184 PolarHBondContact O-OG 3.46Å; R181-S184 PolarHBondContact O-N 3.44Å; S184-V186 VanDerWaalsContact C-N 3.32Å; S184-V186 PolarHBondContact O-N 3.21Å; S184-L188 CarbonylContact O-C 3.34Å; S184-L188 WeakPolarHBondContact O-CA 3.41Å; S184-L188 WeakPolarHBondContact O-CB 3.37Å; S184-L188 PolarHBondContact O-N 2.88Å; S184-W189 PolarHBondContact O-N 3.48Å
185E98.8Very high98.1Very high58 Ų5843 Ų4327%0.27120%0.201SC..Iπ-helixtrans-59.5-43.9178.6-172.854.3-138.800111.5C134 R181 Q182 G190 R193C134-E185 HydrophobicContact CB-CG 4.13Å; R181-E185 VanDerWaalsContact O-CB 3.28Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 3.03Å; Q182-E185 PolarHBondContact O-N 3Å; E185-G190 PolarHBondContact O-N 2.81Å; E185-R193 IonicContact OE1-CZ 2.69Å; E185-R193 VanDerWaalsContact OE1-CZ 3.29Å; E185-R193 IonicContact OE1-NH1 3.12Å; E185-R193 PolarHBondContact OE1-NH1 3.42Å; E185-R193 IonicContact OE1-NH2 3.62Å; E185-R193 PolarHBondContact OE1-NH2 2.96Å
186V98.8Very high98.2Very high30 Ų3049.4 Ų49.418%0.18223%0.229CC..Iπ-helixtrans-75.8-58.5176.1-173.60000110.8V133 V166 Q182 S184 G190V133-V186 HydrophobicContact CG2-CG1 4.05Å; V166-V186 HydrophobicContact CG1-CG1 4.35Å; V166-V186 HydrophobicContact CG1-CG2 4.41Å; V166-V186 HydrophobicContact CG2-CB 4.16Å; V166-V186 HydrophobicContact CG2-CG2 4.24Å; Q182-V186 PolarHBondContact O-N 3.26Å; S184-V186 VanDerWaalsContact C-N 3.32Å; S184-V186 PolarHBondContact O-N 3.21Å; V186-G190 WeakPolarHBondContact O-CA 3.47Å
187N98.8Very high98.4Very high0 Ų049.4 Ų49.40%023%0.231CC..Iπ-helixtrans-73-40-164.9-68.1-1.2000112.9G165 V166 V183 T191 S230 V234G165-N187 WeakPolarHBondContact CA-OD1 3.32Å; V166-N187 PolarHBondContact N-OD1 3.34Å; V166-N187 PolarHBondContact O-ND2 2.95Å; V166-N187 PolarHBondContact O-OD1 2.95Å; V183-N187 VanDerWaalsContact O-CB 3.27Å; V183-N187 WeakPolarHBondContact O-CB 3.26Å; V183-N187 PolarHBondContact O-N 3.05Å; N187-T191 WeakPolarHBondContact O-CB 3.15Å; N187-T191 PolarHBondContact O-OG1 3.39Å; N187-S230 WeakPolarHBondContact CB-OG 3.47Å; N187-S230 PolarHBondContact ND2-OG 2.85Å; N187-V234 VanDerWaalsContact O-CG2 3.27Å; N187-V234 WeakPolarHBondContact O-CG2 3.37Å
188L98.8Very high98.5Very high18 Ų1843.7 Ų43.79%0.09420%0.203CC..Iπ-helixtrans-102.2-61.9-173.8175.758.7000111S184 G190 T191 I192 V234S184-L188 CarbonylContact O-C 3.34Å; S184-L188 WeakPolarHBondContact O-CA 3.41Å; S184-L188 WeakPolarHBondContact O-CB 3.37Å; S184-L188 PolarHBondContact O-N 2.88Å; L188-G190 PolarHBondContact O-N 3.39Å; L188-T191 WeakPolarHBondContact O-CB 3.43Å; L188-T191 PolarHBondContact O-N 3.35Å; L188-I192 HydrophobicContact CD1-CD1 3.68Å; L188-I192 HydrophobicContact CD1-CG1 4.37Å; L188-I192 HydrophobicContact CG-CD1 4.08Å; L188-I192 WeakPolarHBondContact O-CG1 3.45Å; L188-I192 PolarHBondContact O-N 2.94Å; L188-V234 HydrophobicContact CD1-CG2 4.23Å
189W98.9Very high98.6Very high124 Ų12440.9 Ų40.947%0.4719%0.188SC..Iπ-helixtrans-67-39.4-175.1-54.6135.1000111.4S184 I192 R193S184-W189 PolarHBondContact O-N 3.48Å; W189-I192 HydrophobicContact CE3-CD1 3.71Å; W189-I192 HydrophobicContact CZ3-CD1 3.76Å; W189-I192 PolarHBondContact O-N 3.42Å; W189-R193 WeakPolarHBondContact O-CB 3.23Å; W189-R193 PolarHBondContact O-N 3.49Å
190G98.9Very high98.6Very high0 Ų043 Ų430%020%0.201CC..Iπ-helixtrans-59.1-46.4172.100000113V133 E185 V186 L188 I192 R193 V194V133-G190 WeakPolarHBondContact O-CA 3.4Å; E185-G190 PolarHBondContact O-N 2.81Å; V186-G190 WeakPolarHBondContact O-CA 3.47Å; L188-G190 PolarHBondContact O-N 3.39Å; G190-I192 VanDerWaalsContact C-N 3.34Å; G190-I192 PolarHBondContact O-N 3.37Å; G190-R193 PolarHBondContact O-N 3.06Å; G190-V194 WeakPolarHBondContact O-CG2 3.38Å; G190-V194 PolarHBondContact O-N 3.23Å
191T98.9Very high98.6Very high6 Ų641.5 Ų41.54%0.03720%0.196CC..Hα-helixtrans-57-46.9173.6-67.70000111.5N162 N187 L188 T195 F237N162-T191 HydrophobicContact CB-CG2 3.82Å; N187-T191 WeakPolarHBondContact O-CB 3.15Å; N187-T191 PolarHBondContact O-OG1 3.39Å; L188-T191 WeakPolarHBondContact O-CB 3.43Å; L188-T191 PolarHBondContact O-N 3.35Å; T191-T195 WeakPolarHBondContact O-CB 3.42Å; T191-T195 PolarHBondContact O-N 3.43Å; T191-T195 PolarHBondContact O-OG1 2.88Å; T191-F237 HydrophobicContact CG2-CD1 4.31Å; T191-F237 HydrophobicContact CG2-CE1 4.21Å
192I98.9Very high98.6Very high34 Ų3434.4 Ų34.417%0.17417%0.169CC..Hα-helixtrans-65-47179.4-69.7168.6000110.7L188 W189 G190 T195 K196 F237L188-I192 HydrophobicContact CD1-CD1 3.68Å; L188-I192 HydrophobicContact CD1-CG1 4.37Å; L188-I192 HydrophobicContact CG-CD1 4.08Å; L188-I192 WeakPolarHBondContact O-CG1 3.45Å; L188-I192 PolarHBondContact O-N 2.94Å; W189-I192 HydrophobicContact CE3-CD1 3.71Å; W189-I192 HydrophobicContact CZ3-CD1 3.76Å; W189-I192 PolarHBondContact O-N 3.42Å; G190-I192 VanDerWaalsContact C-N 3.34Å; G190-I192 PolarHBondContact O-N 3.37Å; I192-T195 PolarHBondContact O-N 3.48Å; I192-K196 HydrophobicContact CG2-CD 3.66Å; I192-K196 HydrophobicContact CG2-CG 4.24Å; I192-K196 WeakPolarHBondContact O-CB 3.36Å; I192-K196 VanDerWaalsContact O-CG 3.24Å; I192-K196 WeakPolarHBondContact O-CG 3.36Å; I192-K196 PolarHBondContact O-N 2.79Å; I192-F237 HydrophobicContact CB-CZ 4.39Å; I192-F237 HydrophobicContact CD1-CD2 4.21Å; I192-F237 HydrophobicContact CD1-CG 4.22Å; I192-F237 HydrophobicContact CG1-CD1 3.82Å; I192-F237 HydrophobicContact CG1-CD2 3.78Å; I192-F237 HydrophobicContact CG1-CE1 3.9Å; I192-F237 HydrophobicContact CG1-CE2 3.88Å; I192-F237 HydrophobicContact CG1-CG 3.75Å; I192-F237 HydrophobicContact CG1-CZ 3.93Å; I192-F237 HydrophobicContact CG2-CE2 4.36Å
193R98.9Very high98.6Very high46 Ų4633.8 Ų33.817%0.17416%0.162CC..Hα-helixtrans-58.9-53.7-178.1-177.4-175.2-69.3107.1-1111.4V133 D136 V139 E185 W189 G190 K196 A197V133-R193 WeakPolarHBondContact O-CD 3.41Å; V133-R193 PolarHBondContact O-NH1 3.46Å; D136-R193 WeakPolarHBondContact OD1-CD 3.26Å; D136-R193 WeakPolarHBondContact OD1-CG 3.23Å; D136-R193 IonicContact OD1-CZ 2.72Å; D136-R193 IonicContact OD1-NE 2.78Å; D136-R193 PolarHBondContact OD1-NE 3.48Å; V139-R193 HydrophobicContact CG1-CG 4.4Å; V139-R193 HydrophobicContact CG2-CG 4.18Å; E185-R193 IonicContact OE1-CZ 2.69Å; E185-R193 VanDerWaalsContact OE1-CZ 3.29Å; E185-R193 IonicContact OE1-NH1 3.12Å; E185-R193 PolarHBondContact OE1-NH1 3.42Å; E185-R193 IonicContact OE1-NH2 3.62Å; E185-R193 PolarHBondContact OE1-NH2 2.96Å; W189-R193 WeakPolarHBondContact O-CB 3.23Å; W189-R193 PolarHBondContact O-N 3.49Å; G190-R193 PolarHBondContact O-N 3.06Å; R193-K196 PolarHBondContact O-N 2.66Å; R193-A197 WeakPolarHBondContact O-CB 3.23Å; R193-A197 PolarHBondContact O-N 3.32Å
194V98.9Very high98.5Very high2 Ų239.2 Ų39.21%0.01218%0.182CC..Hα-helixtrans-60.4-49.4177.81730000110.3L78 T80 V133 V139 V160 N162 G190 K196 A197 V198L78-V194 HydrophobicContact CD2-CG1 4.07Å; T80-V194 HydrophobicContact CG2-CG1 3.92Å; T80-V194 HydrophobicContact CG2-CG2 4.25Å; V133-V194 HydrophobicContact CB-CG2 4.07Å; V133-V194 HydrophobicContact CG1-CG2 3.8Å; V139-V194 HydrophobicContact CG1-CG2 4.46Å; V139-V194 HydrophobicContact CG2-CG2 3.91Å; V160-V194 HydrophobicContact CG2-CG1 4.06Å; N162-V194 WeakPolarHBondContact OD1-CG1 3.35Å; G190-V194 WeakPolarHBondContact O-CG2 3.38Å; G190-V194 PolarHBondContact O-N 3.23Å; V194-K196 PolarHBondContact O-N 2.87Å; V194-A197 PolarHBondContact O-N 3.19Å; V194-A197 VanDerWaalsContact O-N 3.14Å; V194-V198 WeakPolarHBondContact O-CG2 3.31Å; V194-V198 PolarHBondContact O-N 3.47Å
195T98.9Very high98.3Very high2 Ų239.5 Ų39.51%0.01219%0.185CC..Hα-helixtrans-55.3-51.9-179.8-60.80000111N162 T191 I192 A197 V198 L199 V209 F237 L241N162-T195 PolarHBondContact ND2-OG1 3.34Å; T191-T195 WeakPolarHBondContact O-CB 3.42Å; T191-T195 PolarHBondContact O-N 3.43Å; T191-T195 PolarHBondContact O-OG1 2.88Å; I192-T195 PolarHBondContact O-N 3.48Å; T195-A197 VanDerWaalsContact C-N 3.29Å; T195-A197 PolarHBondContact O-N 3.27Å; T195-V198 PolarHBondContact O-N 2.97Å; T195-L199 WeakPolarHBondContact O-CA 3.44Å; T195-L199 WeakPolarHBondContact O-CB 3.22Å; T195-L199 PolarHBondContact O-N 2.97Å; T195-V209 HydrophobicContact CG2-CG1 4.19Å; T195-F237 HydrophobicContact CG2-CE1 4.2Å; T195-F237 HydrophobicContact CG2-CZ 3.9Å; T195-L241 HydrophobicContact CG2-CD2 3.64Å
196K98.8Very high98.2Very high145 Ų14543.5 Ų43.563%0.6320%0.201SC*.Hα-helixtrans-58.5-41.1179.6-72.7174.875.276.10112I192 R193 V194I192-K196 HydrophobicContact CG2-CD 3.66Å; I192-K196 HydrophobicContact CG2-CG 4.24Å; I192-K196 WeakPolarHBondContact O-CB 3.36Å; I192-K196 VanDerWaalsContact O-CG 3.24Å; I192-K196 WeakPolarHBondContact O-CG 3.36Å; I192-K196 PolarHBondContact O-N 2.79Å; R193-K196 PolarHBondContact O-N 2.66Å; V194-K196 PolarHBondContact O-N 2.87Å
197A98.8Very high98.2Very high37 Ų3742 Ų4231%0.30619%0.192SC..Hα-helixtrans-66.5-40.4-178.100000112.5V139 V143 R193 V194 T195V139-A197 HydrophobicContact CG1-CB 3.47Å; V139-A197 VanDerWaalsContact CG1-CB 3.47Å; V143-A197 HydrophobicContact CG2-CB 3.86Å; R193-A197 WeakPolarHBondContact O-CB 3.23Å; R193-A197 PolarHBondContact O-N 3.32Å; V194-A197 PolarHBondContact O-N 3.19Å; V194-A197 VanDerWaalsContact O-N 3.14Å; T195-A197 VanDerWaalsContact C-N 3.29Å; T195-A197 PolarHBondContact O-N 3.27Å
198V98.6Very high98.2Very high1 Ų142.6 Ų42.61%0.00620%0.195CC..Hα-helixtrans-91.3-14.9-180-570000114.1L78 V143 L157 V160 V194 T195 P200 L201 I202L78-V198 HydrophobicContact CD2-CG1 3.84Å; V143-V198 HydrophobicContact CG2-CG1 3.87Å; L157-V198 HydrophobicContact CD2-CB 4.1Å; L157-V198 HydrophobicContact CD2-CG1 4.29Å; V160-V198 HydrophobicContact CB-CG2 3.86Å; V160-V198 HydrophobicContact CG1-CG2 3.78Å; V160-V198 HydrophobicContact CG2-CG2 4.07Å; V194-V198 WeakPolarHBondContact O-CG2 3.31Å; V194-V198 PolarHBondContact O-N 3.47Å; T195-V198 PolarHBondContact O-N 2.97Å; V198-P200 VanDerWaalsContact C-N 3.31Å; V198-P200 VanDerWaalsContact O-N 3.15Å; V198-L201 WeakPolarHBondContact O-CA 3.47Å; V198-L201 WeakPolarHBondContact O-CB 3.37Å; V198-L201 PolarHBondContact O-N 3.04Å; V198-I202 HydrophobicContact CG2-CG1 4.07Å; V198-I202 PolarHBondContact O-N 3.21Å
199L98.6Very high98.2Very high30 Ų3041.8 Ų41.816%0.15719%0.19CC..Hα-helixtrans-53-38.7-174.5-166.661.7000113.9T195 L201 I202 R203 V209 L241 M245T195-L199 WeakPolarHBondContact O-CA 3.44Å; T195-L199 WeakPolarHBondContact O-CB 3.22Å; T195-L199 PolarHBondContact O-N 2.97Å; L199-L201 VanDerWaalsContact C-N 3.29Å; L199-L201 PolarHBondContact O-N 3.47Å; L199-I202 PolarHBondContact O-N 3.04Å; L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 3.3Å; L199-V209 HydrophobicContact CD1-CG2 4.37Å; L199-L241 HydrophobicContact CD1-CD1 4.24Å; L199-L241 HydrophobicContact CD2-CD1 3.84Å; L199-M245 HydrophobicContact CD1-CG 4.2Å; L199-M245 HydrophobicContact CD1-SD 3.87Å; L199-M245 HydrophobicContact CD2-CE 4.21Å; L199-M245 HydrophobicContact CD2-SD 3.93Å; L199-M245 HydrophobicContact CG-SD 4.06Å
200P97.5Very high98.2Very high53 Ų5335.9 Ų35.934%0.34417%0.168SC..Hα-helixtrans-60-36.4174.8-25.236000113.7V198 R204V198-P200 VanDerWaalsContact C-N 3.31Å; V198-P200 VanDerWaalsContact O-N 3.15Å; P200-R204 PolarHBondContact O-N 2.82Å
201L97.9Very high98.2Very high4 Ų435.9 Ų35.92%0.02117%0.168CC..Hα-helixtrans-70.8-45.7176-67.6163000110.8V143 I146 K147 L150 L157 V198 L199 R203 R204 A205V143-L201 HydrophobicContact CG1-CD1 4.33Å; I146-L201 HydrophobicContact CG2-CD1 4.32Å; K147-L201 HydrophobicContact CG-CD1 4.2Å; K147-L201 HydrophobicContact CG-CD2 4.06Å; L150-L201 HydrophobicContact CD1-CD2 4.26Å; L157-L201 HydrophobicContact CB-CB 3.69Å; L157-L201 PolarHBondContact N-O 3.44Å; V198-L201 WeakPolarHBondContact O-CA 3.47Å; V198-L201 WeakPolarHBondContact O-CB 3.37Å; V198-L201 PolarHBondContact O-N 3.04Å; L199-L201 VanDerWaalsContact C-N 3.29Å; L199-L201 PolarHBondContact O-N 3.47Å; L201-R203 VanDerWaalsContact C-N 3.3Å; L201-R203 PolarHBondContact O-N 3.13Å; L201-R204 PolarHBondContact O-N 2.88Å; L201-A205 PolarHBondContact O-N 3.06Å
202I98.3Very high98.2Very high0 Ų036 Ų360%017%0.168CC..Hα-helixtrans-59.8-42.7176.8-60.2-63.8000111.2L157 A159 V160 V198 L199 A205 K206 G207 V209 V250L157-I202 HydrophobicContact CB-CD1 3.97Å; L157-I202 HydrophobicContact CD2-CD1 3.75Å; L157-I202 HydrophobicContact CG-CD1 3.75Å; L157-I202 WeakPolarHBondContact O-CA 3.39Å; L157-I202 WeakPolarHBondContact O-CD1 3.42Å; A159-I202 VanDerWaalsContact C-CD1 3.47Å; V160-I202 HydrophobicContact CB-CD1 4.3Å; V160-I202 HydrophobicContact CG1-CD1 4.21Å; V160-I202 HydrophobicContact CG1-CG1 4.24Å; V198-I202 HydrophobicContact CG2-CG1 4.07Å; V198-I202 PolarHBondContact O-N 3.21Å; L199-I202 PolarHBondContact O-N 3.04Å; I202-A205 PolarHBondContact O-N 2.94Å; I202-K206 PolarHBondContact O-N 3.27Å; I202-K206 VanDerWaalsContact O-N 3.14Å; I202-G207 PolarHBondContact O-N 3.42Å; I202-V209 HydrophobicContact CG2-CG2 4.1Å; I202-V250 HydrophobicContact CG2-CG1 3.82Å; I202-V250 HydrophobicContact CG2-CG2 4.05Å
203R97.2Very high98.1Very high99 Ų9934.5 Ų34.537%0.37416%0.161SC..Hα-helixtrans-61.7-44.1178.9-175174.462.9176.7-2.4112.2L199 L201 A205 K206 W248 V250L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 3.3Å; L201-R203 VanDerWaalsContact C-N 3.3Å; L201-R203 PolarHBondContact O-N 3.13Å; R203-A205 VanDerWaalsContact C-N 3.27Å; R203-A205 PolarHBondContact O-N 3.17Å; R203-K206 PolarHBondContact O-N 2.91Å; R203-K206 VanDerWaalsContact O-N 3.14Å; R203-W248 VanDerWaalsContact CD-CD2 3.46Å; R203-W248 HydrophobicContact CG-CB 3.83Å; R203-W248 HydrophobicContact CG-CD2 3.94Å; R203-W248 HydrophobicContact CG-CE3 3.9Å; R203-W248 HydrophobicContact CG-CG 3.92Å; R203-V250 HydrophobicContact CB-CG2 4.43Å
204R95.7Very high98.1Very high122 Ų12232.6 Ų32.646%0.4616%0.155SC..Hα-helixtrans-59-40.4174.7-77.4-169.9-72.5-886.3111.9P200 L201 K206P200-R204 PolarHBondContact O-N 2.82Å; L201-R204 PolarHBondContact O-N 2.88Å; R204-K206 VanDerWaalsContact C-N 3.25Å; R204-K206 PolarHBondContact O-N 3.23Å
205A95.9Very high97.9Very high19 Ų1932.7 Ų32.716%0.15716%0.155CC..THydrogen-bonded Turntrans-75-9.4179.100000114.6R155 L157 W158 L201 I202 R203 G207R155-A205 WeakPolarHBondContact O-CA 3.31Å; R155-A205 WeakPolarHBondContact O-CB 3.29Å; R155-A205 PolarHBondContact O-N 3.22Å; L157-A205 WeakPolarHBondContact O-CB 3.34Å; W158-A205 HydrophobicContact CE3-CB 4.38Å; W158-A205 WeakPolarHBondContact CZ3-O 3.17Å; L201-A205 PolarHBondContact O-N 3.06Å; I202-A205 PolarHBondContact O-N 2.94Å; R203-A205 VanDerWaalsContact C-N 3.27Å; R203-A205 PolarHBondContact O-N 3.17Å; A205-G207 PolarHBondContact O-N 2.86Å
206K96.8Very high97.8Very high141 Ų14133.8 Ų33.861%0.61316%0.159SC*.THydrogen-bonded Turntrans49.643.8-163.5-55.4179.7-179.4176.30110.7I202 R203 R204 R208I202-K206 PolarHBondContact O-N 3.27Å; I202-K206 VanDerWaalsContact O-N 3.14Å; R203-K206 PolarHBondContact O-N 2.91Å; R203-K206 VanDerWaalsContact O-N 3.14Å; R204-K206 VanDerWaalsContact C-N 3.25Å; R204-K206 PolarHBondContact O-N 3.23Å; K206-R208 PolarHBondContact O-NH1 3.22Å
207G97.6Very high97.7Very high0 Ų027 Ų270%013%0.13CC..  trans-82-148-163.100000115.3W158 I202 A205 K251W158-G207 CarbonylContact O-C 3.59Å; W158-G207 WeakPolarHBondContact O-CA 3.28Å; I202-G207 PolarHBondContact O-N 3.42Å; A205-G207 PolarHBondContact O-N 2.86Å; G207-K251 PolarHBondContact O-N 2.78Å; G207-K251 VanDerWaalsContact O-N 3.07Å
208R98.7Very high97.5Very high12 Ų1227.3 Ų27.35%0.04512%0.123CC..EExtended strand (participates in β ladder)trans-131.4140.8-173.6-53.6-67.7-177.9-99.73.4111.3W158 A159 V160 K206 K251 A324 S327W158-R208 HydrophobicContact CZ2-CG 3.92Å; W158-R208 PolarHBondContact O-N 3.08Å; A159-R208 VanDerWaalsContact CA-O 3.25Å; A159-R208 WeakPolarHBondContact CA-O 3.45Å; A159-R208 HydrophobicContact CB-CB 3.76Å; A159-R208 HydrophobicContact CB-CG 4.46Å; V160-R208 PolarHBondContact N-O 3.17Å; K206-R208 PolarHBondContact O-NH1 3.22Å; R208-K251 CarbonylContact C-O 3.6Å; R208-K251 WeakPolarHBondContact CA-O 3.45Å; R208-A324 WeakPolarHBondContact CD-O 3.38Å; R208-S327 PolarHBondContact NH2-O 2.75Å
209V98.9Very high97.3Very high1 Ų127.4 Ų27.41%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-120.1121164.2-179.90000106.7V160 T195 L199 I202 N211 L241 V250 K251 V252 S253V160-V209 HydrophobicContact CG1-CB 4.3Å; V160-V209 HydrophobicContact CG1-CG1 4.09Å; V160-V209 HydrophobicContact CG1-CG2 4.02Å; T195-V209 HydrophobicContact CG2-CG1 4.19Å; L199-V209 HydrophobicContact CD1-CG2 4.37Å; I202-V209 HydrophobicContact CG2-CG2 4.1Å; V209-N211 WeakPolarHBondContact CG1-OD1 3.19Å; V209-L241 HydrophobicContact CB-CD2 4.3Å; V209-L241 HydrophobicContact CG1-CD2 3.92Å; V209-L241 HydrophobicContact CG2-CD2 4.25Å; V209-V250 HydrophobicContact CG2-CG1 4.26Å; V209-K251 PolarHBondContact N-O 3.39Å; V209-V252 HydrophobicContact CB-CG1 4.28Å; V209-V252 HydrophobicContact CB-CG2 4.22Å; V209-V252 HydrophobicContact CG1-CG1 4.41Å; V209-V252 CarbonylContact O-C 3.5Å; V209-V252 VanDerWaalsContact O-CA 3.29Å; V209-V252 WeakPolarHBondContact O-CA 3.05Å; V209-S253 PolarHBondContact O-N 2.99Å
210V98.9Very high97Very high0 Ų027.6 Ų27.60%013%0.133CC..EExtended strand (participates in β ladder)trans-117.8118.7177.7-174.90000107.9V160 V161 N162 I212 S253 I255 I321 A324 I325V160-V210 PolarHBondContact O-N 3.45Å; V161-V210 CarbonylContact C-O 3.55Å; V161-V210 VanDerWaalsContact CA-O 3.31Å; V161-V210 WeakPolarHBondContact CA-O 3.37Å; V161-V210 HydrophobicContact CG1-CB 4.37Å; V161-V210 HydrophobicContact CG1-CG1 4.43Å; V161-V210 HydrophobicContact CG2-CB 4.24Å; N162-V210 PolarHBondContact N-O 3.38Å; V210-I212 HydrophobicContact CG1-CD1 4.46Å; V210-S253 WeakPolarHBondContact CA-O 3.37Å; V210-I255 HydrophobicContact CG1-CD1 3.96Å; V210-I255 HydrophobicContact CG1-CG1 3.6Å; V210-I321 HydrophobicContact CG1-CG2 4.33Å; V210-A324 HydrophobicContact CG1-CB 4.34Å; V210-A324 HydrophobicContact CG2-CB 3.85Å; V210-I325 HydrophobicContact CG2-CG1 4.07Å
211N98.9Very high96.8Very high0 Ų026.6 Ų26.60%012%0.124CC..EExtended strand (participates in β ladder)trans-111.5125.3-178.2-66.8-21.6000109.8N162 V209 A213 V234 S238 S253 I254 I255N162-N211 PolarHBondContact ND2-OD1 2.9Å; V209-N211 WeakPolarHBondContact CG1-OD1 3.19Å; N211-A213 PolarHBondContact O-N 2.87Å; N211-V234 HydrophobicContact CB-CG1 3.89Å; N211-S238 PolarHBondContact ND2-OG 2.61Å; N211-S253 PolarHBondContact N-O 3.2Å; N211-I254 WeakPolarHBondContact O-CA 3.04Å; N211-I255 PolarHBondContact O-N 2.77Å
212I98.7Very high96.5Very high9 Ų932.6 Ų32.65%0.04615%0.147CC..EExtended strand (participates in β ladder)trans-84.6102.5176.6-50.8-53.6000108.8V161 N162 N163 V210 K231 I255 P257 I321V161-I212 HydrophobicContact CG1-CD1 4.29Å; V161-I212 HydrophobicContact CG1-CG1 4.4Å; N162-I212 WeakPolarHBondContact O-CG1 3.34Å; N162-I212 PolarHBondContact O-N 3.26Å; N163-I212 HydrophobicContact CB-CG1 3.81Å; V210-I212 HydrophobicContact CG1-CD1 4.46Å; I212-K231 PolarHBondContact O-NZ 3.47Å; I212-I255 HydrophobicContact CD1-CB 3.72Å; I212-I255 HydrophobicContact CD1-CG1 3.64Å; I212-I255 HydrophobicContact CD1-CG2 4.38Å; I212-P257 HydrophobicContact CG2-CG 4.19Å; I212-I321 HydrophobicContact CD1-CD1 3.7Å; I212-I321 HydrophobicContact CD1-CG1 3.95Å
213A97.8Very high96.3Very high2 Ų233.2 Ų33.22%0.01715%0.15CC..  trans-88.2-126.8172.700000109.7N211 K231 V234 E235 I254 I255N211-A213 PolarHBondContact O-N 2.87Å; A213-K231 VanDerWaalsContact O-CE 3.31Å; A213-K231 WeakPolarHBondContact O-CE 3.27Å; A213-K231 PolarHBondContact O-NZ 2.89Å; A213-V234 HydrophobicContact CB-CG1 4.3Å; A213-E235 HydrophobicContact CB-CG 4.37Å; A213-E235 WeakPolarHBondContact CB-OE1 3.46Å; A213-I254 HydrophobicContact CB-CG2 3.51Å; A213-I255 WeakPolarHBondContact CA-O 3.47Å; A213-I255 PolarHBondContact N-O 3.02Å
214S97.6Very high96.2Very high6 Ų629 Ų294%0.04213%0.134CC..  trans-174.8162.7175175.60000107.5Y216 G217S214-Y216 PolarHBondContact O-N 3.11Å; S214-Y216 VanDerWaalsContact O-N 3.1Å; S214-Y216 PolarHBondContact OG-N 3.23Å; S214-Y216 VanDerWaalsContact OG-N 3.09Å; S214-G217 PolarHBondContact O-N 3.1Å
215M95.7Very high96.3Very high4 Ų424.9 Ų24.92%0.0212%0.124CC..G310 helixtrans-50.2-31160.365.5179.5177.600112.5G217 R218 M219 P257 M337 W341M215-G217 PolarHBondContact O-N 3.23Å; M215-R218 PolarHBondContact O-N 3.09Å; M215-R218 VanDerWaalsContact O-N 3.11Å; M215-M219 HydrophobicContact CB-CE 3.88Å; M215-M219 HydrophobicContact CE-CE 4.23Å; M215-M219 HydrophobicContact CG-CE 3.58Å; M215-M219 WeakPolarHBondContact O-CG 3.27Å; M215-M219 PolarHBondContact O-N 3.39Å; M215-M219 HydrophobicContact SD-CE 3.45Å; M215-M219 WeakPolarHBondContact SD-CE 3.4Å; M215-P257 PolarHBondContact N-O 3.32Å; M215-M337 HydrophobicContact CB-CE 3.71Å; M215-M337 HydrophobicContact CB-SD 4.26Å; M215-W341 HydrophobicContact CE-CD2 3.83Å; M215-W341 HydrophobicContact CE-CE3 3.69Å; M215-W341 HydrophobicContact CE-CG 4.43Å; M215-W341 HydrophobicContact CE-CH2 4.27Å; M215-W341 HydrophobicContact CE-CZ2 4.39Å; M215-W341 HydrophobicContact CE-CZ3 3.91Å; M215-W341 HydrophobicContact SD-CB 3.94Å; M215-W341 HydrophobicContact SD-CD2 3.69Å; M215-W341 HydrophobicContact SD-CE3 3.53Å; M215-W341 VanDerWaalsContact SD-CE3 3.53Å; M215-W341 HydrophobicContact SD-CG 3.87Å; M215-W341 HydrophobicContact SD-CZ3 4.28Å
216Y96.8Very high96.4Very high25 Ų2524 Ų2410%0.09812%0.116CC..G310 helixtrans-75.13.1174.7-64.7-40.7000115.1S214 R218 M219 N221 R224 Y227 Y232S214-Y216 PolarHBondContact O-N 3.11Å; S214-Y216 VanDerWaalsContact O-N 3.1Å; S214-Y216 PolarHBondContact OG-N 3.23Å; S214-Y216 VanDerWaalsContact OG-N 3.09Å; Y216-R218 VanDerWaalsContact C-N 3.28Å; Y216-M219 CarbonylContact C-O 3.33Å; Y216-M219 WeakPolarHBondContact CA-O 3.5Å; Y216-M219 HydrophobicContact CD1-CE 3.98Å; Y216-M219 HydrophobicContact CD1-CG 4.13Å; Y216-M219 HydrophobicContact CE1-CE 3.8Å; Y216-N221 HydrophobicContact CD1-CB 4.11Å; Y216-N221 HydrophobicContact CE1-CB 3.48Å; Y216-N221 VanDerWaalsContact CE1-CB 3.48Å; Y216-N221 PolarHBondContact OH-ND2 2.84Å; Y216-R224 HydrophobicContact CE2-CG 4.32Å; Y216-Y227 AromaticContact CD2-CD1 4Å; Y216-Y227 HydrophobicContact CD2-CD1 4Å; Y216-Y227 AromaticContact CD2-CE1 3.94Å; Y216-Y227 HydrophobicContact CD2-CE1 3.94Å; Y216-Y232 WeakPolarHBondContact O-CD2 3.41Å; Y216-Y232 VanDerWaalsContact O-CE2 3.28Å; Y216-Y232 WeakPolarHBondContact O-CE2 3.48Å
217G96Very high96.4Very high1 Ų118.5 Ų18.51%0.019%0.092CC..G310 helixtrans-79.8-11.6163.700000113.1S214 M215 Y232 E235S214-G217 PolarHBondContact O-N 3.1Å; M215-G217 PolarHBondContact O-N 3.23Å; G217-Y232 VanDerWaalsContact C-CD2 3.42Å; G217-Y232 VanDerWaalsContact C-CE2 3.43Å; G217-Y232 WeakPolarHBondContact O-CD1 3.48Å; G217-Y232 VanDerWaalsContact O-CD2 3.27Å; G217-Y232 WeakPolarHBondContact O-CD2 3.24Å; G217-Y232 WeakPolarHBondContact O-CE1 3.44Å; G217-Y232 WeakPolarHBondContact O-CE2 3.33Å; G217-E235 WeakPolarHBondContact O-CG 2.91Å
218R94.8Very high96.5Very high45 Ų4519 Ų1917%0.1710%0.095CC..THydrogen-bonded Turntrans-130.6-7-176.4-67-176.759.2-157.4-5.8114.8M215 Y216 Y232 E235 E256 M345 T349 H350M215-R218 PolarHBondContact O-N 3.09Å; M215-R218 VanDerWaalsContact O-N 3.11Å; Y216-R218 VanDerWaalsContact C-N 3.28Å; R218-Y232 VanDerWaalsContact C-CZ 3.44Å; R218-Y232 PolarHBondContact O-OH 2.79Å; R218-E235 HydrophobicContact CG-CG 4.34Å; R218-E256 WeakPolarHBondContact CD-OE1 3.2Å; R218-E256 IonicContact NH1-OE1 3.27Å; R218-E256 IonicContact NH1-OE2 3.42Å; R218-M345 HydrophobicContact CB-CG 4.1Å; R218-M345 HydrophobicContact CB-SD 4.11Å; R218-T349 PolarHBondContact O-OG1 3.31Å; R218-H350 PolarHBondContact NH2-NE2 3.24Å
219M94.3Very high96.5Very high2 Ų222 Ų221%0.0112%0.115CC..SBendtrans-139148.8167.165.2177.2177.500111.5M215 Y216 Y232 W341 R344 M345 M348M215-M219 HydrophobicContact CB-CE 3.88Å; M215-M219 HydrophobicContact CE-CE 4.23Å; M215-M219 HydrophobicContact CG-CE 3.58Å; M215-M219 WeakPolarHBondContact O-CG 3.27Å; M215-M219 PolarHBondContact O-N 3.39Å; M215-M219 HydrophobicContact SD-CE 3.45Å; M215-M219 WeakPolarHBondContact SD-CE 3.4Å; Y216-M219 CarbonylContact C-O 3.33Å; Y216-M219 WeakPolarHBondContact CA-O 3.5Å; Y216-M219 HydrophobicContact CD1-CE 3.98Å; Y216-M219 HydrophobicContact CD1-CG 4.13Å; Y216-M219 HydrophobicContact CE1-CE 3.8Å; M219-Y232 WeakPolarHBondContact CA-OH 3.4Å; M219-Y232 PolarHBondContact N-OH 3.45Å; M219-W341 HydrophobicContact CE-CE3 4.01Å; M219-W341 HydrophobicContact CE-CZ3 4.27Å; M219-R344 HydrophobicContact SD-CG 3.98Å; M219-M345 HydrophobicContact CE-CB 4.33Å; M219-M345 HydrophobicContact CG-CG 4.47Å; M219-M345 VanDerWaalsContact SD-CA 3.6Å; M219-M345 HydrophobicContact SD-CB 3.91Å; M219-M345 HydrophobicContact SD-CG 4.49Å; M219-M348 HydrophobicContact CB-CB 3.78Å; M219-M348 HydrophobicContact CB-CE 4.34Å; M219-M348 HydrophobicContact CB-SD 4.07Å; M219-M348 HydrophobicContact CG-SD 4.42Å; M219-M348 HydrophobicContact SD-SD 3.78Å
220G92.9Very high96.4Very high34 Ų3422 Ų2235%0.35111%0.114SC..  trans-83.5157.2169.300000112.2M348G220-M348 VanDerWaalsContact O-CE 3.27Å; G220-M348 WeakPolarHBondContact O-CE 3.44Å
221N92.4Very high96.4Very high32 Ų3222.4 Ų22.417%0.17112%0.116CC..  trans-143.8148.3168.2-164.58.1000110.7Y216 R224Y216-N221 HydrophobicContact CD1-CB 4.11Å; Y216-N221 HydrophobicContact CE1-CB 3.48Å; Y216-N221 VanDerWaalsContact CE1-CB 3.48Å; Y216-N221 PolarHBondContact OH-ND2 2.84Å; N221-R224 HydrophobicContact CB-CB 4.4Å; N221-R224 HydrophobicContact CB-CG 4.27Å; N221-R224 PolarHBondContact O-N 3Å
222R91.8Very high96.4Very high131 Ų13127.2 Ų27.249%0.49414%0.135SC..THydrogen-bonded Turntrans-54.9147.1172.7-66.2-178-169.2170.17.5108.9R224 F361R222-R224 PolarHBondContact O-N 3.09Å; R222-F361 HydrophobicContact CG-CD1 4.19Å; R222-F361 HydrophobicContact CG-CE1 3.73Å; R222-F361 HydrophobicContact CG-CZ 4.46Å; R222-F361 VanDerWaalsContact NE-CD1 3.26Å; R222-F361 PolarHBondContact NH2-O 2.96Å
223L94.3Very high96.4Very high12 Ų1227.5 Ų27.56%0.06314%0.14CC..THydrogen-bonded Turntrans64.97.2-176.2-49177.9000116F169 G170 E171 Y299 M303F169-L223 CarbonylContact C-O 3.6Å; F169-L223 WeakPolarHBondContact CA-O 3.47Å; F169-L223 HydrophobicContact CB-CB 4.48Å; F169-L223 WeakPolarHBondContact CB-O 3.36Å; G170-L223 PolarHBondContact N-O 2.8Å; G170-L223 CarbonylContact O-C 3.6Å; G170-L223 VanDerWaalsContact O-CA 3.25Å; G170-L223 WeakPolarHBondContact O-CA 3.3Å; E171-L223 HydrophobicContact CB-CD2 4.36Å; E171-L223 HydrophobicContact CG-CD2 3.36Å; L223-Y299 HydrophobicContact CD1-CD1 3.75Å; L223-Y299 HydrophobicContact CD1-CG 4.24Å; L223-Y299 HydrophobicContact CD2-CD1 4.21Å; L223-Y299 HydrophobicContact CD2-CG 4.2Å; L223-Y299 HydrophobicContact CG-CD1 4.26Å; L223-M303 HydrophobicContact CB-SD 4.37Å; L223-M303 HydrophobicContact CD1-CG 3.78Å; L223-M303 HydrophobicContact CD1-SD 3.78Å
224R95.8Very high96.4Very high12 Ų1227.4 Ų27.45%0.04514%0.139CC..BIsolated β-bridgetrans-122.710.2-172.8-61.4-60.9-174.1168.77.8115T168 Y216 N221 R222 Y227 C228 M303T168-R224 PolarHBondContact O-NH1 3.29Å; Y216-R224 HydrophobicContact CE2-CG 4.32Å; N221-R224 HydrophobicContact CB-CB 4.4Å; N221-R224 HydrophobicContact CB-CG 4.27Å; N221-R224 PolarHBondContact O-N 3Å; R222-R224 PolarHBondContact O-N 3.09Å; R224-Y227 WeakPolarHBondContact O-CB 3.43Å; R224-Y227 PolarHBondContact O-N 3.04Å; R224-C228 PolarHBondContact O-N 2.78Å; R224-C228 PolarHBondContact O-SG 3.03Å; R224-M303 VanDerWaalsContact NH2-CE 3.25Å
225S97.4Very high96.5Very high34 Ų3427.6 Ų27.624%0.23814%0.14CC..Hα-helixtrans-51.5-51.4-169.2-1790000114.7Y180 Y227 C228 V229Y180-S225 WeakPolarHBondContact CE1-OG 3.29Å; Y180-S225 WeakPolarHBondContact OH-CB 3.43Å; Y180-S225 PolarHBondContact OH-OG 3.06Å; S225-Y227 VanDerWaalsContact C-N 3.29Å; S225-Y227 PolarHBondContact O-N 3Å; S225-C228 PolarHBondContact O-N 2.94Å; S225-V229 WeakPolarHBondContact O-CG2 3.43Å; S225-V229 PolarHBondContact O-N 2.9Å
226P98Very high96.6Very high0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-59.4-39.3178.7-22.131.7000113.5T168 T175 T179 Y180 V183 S230T168-P226 HydrophobicContact CG2-CB 3.77Å; T168-P226 HydrophobicContact CG2-CG 4.01Å; T175-P226 HydrophobicContact CG2-CG 3.9Å; T179-P226 HydrophobicContact CG2-CB 4.45Å; T179-P226 HydrophobicContact CG2-CG 4.25Å; Y180-P226 HydrophobicContact CD1-CB 3.98Å; Y180-P226 HydrophobicContact CD1-CG 4.19Å; Y180-P226 HydrophobicContact CD2-CB 4.44Å; Y180-P226 HydrophobicContact CD2-CG 4.07Å; Y180-P226 HydrophobicContact CE1-CB 4.12Å; Y180-P226 HydrophobicContact CE1-CG 3.95Å; Y180-P226 HydrophobicContact CE2-CG 3.83Å; Y180-P226 HydrophobicContact CG-CB 4.14Å; Y180-P226 HydrophobicContact CG-CG 4.24Å; V183-P226 HydrophobicContact CB-CB 4.49Å; V183-P226 HydrophobicContact CG2-CB 4.4Å; P226-S230 PolarHBondContact O-N 3.42Å
227Y98.1Very high96.7Very high27 Ų2732.2 Ų32.211%0.10617%0.168CC..Hα-helixtrans-69.8-48.2178.7-175.9-101.1000111.5V166 Y216 R224 S225 V229 S230 K231V166-Y227 WeakPolarHBondContact O-CD2 3.31Å; V166-Y227 WeakPolarHBondContact O-CE2 3.3Å; Y216-Y227 AromaticContact CD2-CD1 4Å; Y216-Y227 HydrophobicContact CD2-CD1 4Å; Y216-Y227 AromaticContact CD2-CE1 3.94Å; Y216-Y227 HydrophobicContact CD2-CE1 3.94Å; R224-Y227 WeakPolarHBondContact O-CB 3.43Å; R224-Y227 PolarHBondContact O-N 3.04Å; S225-Y227 VanDerWaalsContact C-N 3.29Å; S225-Y227 PolarHBondContact O-N 3Å; Y227-V229 PolarHBondContact O-N 3Å; Y227-S230 PolarHBondContact O-N 3.02Å; Y227-S230 PolarHBondContact O-OG 3.13Å; Y227-K231 HydrophobicContact CD1-CG 4.21Å; Y227-K231 HydrophobicContact CE1-CG 3.77Å; Y227-K231 HydrophobicContact CE2-CG 4.15Å; Y227-K231 PolarHBondContact O-N 2.93Å; Y227-K231 VanDerWaalsContact OH-CE 3.27Å; Y227-K231 WeakPolarHBondContact OH-CE 3.31Å
228C98.1Very high96.9Very high9 Ų932.2 Ų32.26%0.06117%0.168CC..Hα-helixtrans-54.7-50.9176.2-71.70000111.1R224 S225 S230 K231 Y232R224-C228 PolarHBondContact O-N 2.78Å; R224-C228 PolarHBondContact O-SG 3.03Å; S225-C228 PolarHBondContact O-N 2.94Å; C228-S230 VanDerWaalsContact C-N 3.28Å; C228-S230 PolarHBondContact O-N 3.42Å; C228-K231 PolarHBondContact O-N 3.48Å; C228-K231 VanDerWaalsContact O-N 3.11Å; C228-Y232 WeakPolarHBondContact O-CD2 3.38Å; C228-Y232 PolarHBondContact O-N 3.07Å
229V98.4Very high97Very high76 Ų7631.5 Ų31.546%0.46117%0.167SC..Hα-helixtrans-53.5-47.8177.8169.90000111Y180 S225 Y227 K231 G233Y180-V229 HydrophobicContact CD1-CG2 4.47Å; Y180-V229 HydrophobicContact CE1-CG2 4.18Å; S225-V229 WeakPolarHBondContact O-CG2 3.43Å; S225-V229 PolarHBondContact O-N 2.9Å; Y227-V229 PolarHBondContact O-N 3Å; V229-K231 PolarHBondContact O-N 3.4Å; V229-G233 PolarHBondContact O-N 2.93Å
230S98.6Very high97.3Very high0 Ų034.2 Ų34.20%019%0.185CC..Hα-helixtrans-62.9-39.8-179.978.70000113.1N187 P226 Y227 C228 G233 V234N187-S230 WeakPolarHBondContact CB-OG 3.47Å; N187-S230 PolarHBondContact ND2-OG 2.85Å; P226-S230 PolarHBondContact O-N 3.42Å; Y227-S230 PolarHBondContact O-N 3.02Å; Y227-S230 PolarHBondContact O-OG 3.13Å; C228-S230 VanDerWaalsContact C-N 3.28Å; C228-S230 PolarHBondContact O-N 3.42Å; S230-G233 PolarHBondContact O-N 3.47Å; S230-V234 WeakPolarHBondContact O-CG2 3.46Å; S230-V234 PolarHBondContact O-N 3.13Å
231K98.4Very high97.5Very high9 Ų933 Ų334%0.03917%0.171CC..Hα-helixtrans-78.7-34.7-177.7-67-53.9-164.4175.10113I212 A213 Y227 C228 V229 G233 V234 E235I212-K231 PolarHBondContact O-NZ 3.47Å; A213-K231 VanDerWaalsContact O-CE 3.31Å; A213-K231 WeakPolarHBondContact O-CE 3.27Å; A213-K231 PolarHBondContact O-NZ 2.89Å; Y227-K231 HydrophobicContact CD1-CG 4.21Å; Y227-K231 HydrophobicContact CE1-CG 3.77Å; Y227-K231 HydrophobicContact CE2-CG 4.15Å; Y227-K231 PolarHBondContact O-N 2.93Å; Y227-K231 VanDerWaalsContact OH-CE 3.27Å; Y227-K231 WeakPolarHBondContact OH-CE 3.31Å; C228-K231 PolarHBondContact O-N 3.48Å; C228-K231 VanDerWaalsContact O-N 3.11Å; V229-K231 PolarHBondContact O-N 3.4Å; K231-G233 VanDerWaalsContact C-N 3.27Å; K231-G233 PolarHBondContact O-N 3.47Å; K231-V234 PolarHBondContact O-N 3.08Å; K231-E235 PolarHBondContact O-N 3Å; K231-E235 VanDerWaalsContact O-N 3.08Å
232Y98.5Very high97.8Very high101 Ų10134.5 Ų34.540%0.39617%0.174SC..Hα-helixtrans-60.9-38.9168.1-93.1-99.5000111.3Y216 G217 R218 M219 C228 V234 E235 V236Y216-Y232 WeakPolarHBondContact O-CD2 3.41Å; Y216-Y232 VanDerWaalsContact O-CE2 3.28Å; Y216-Y232 WeakPolarHBondContact O-CE2 3.48Å; G217-Y232 VanDerWaalsContact C-CD2 3.42Å; G217-Y232 VanDerWaalsContact C-CE2 3.43Å; G217-Y232 WeakPolarHBondContact O-CD1 3.48Å; G217-Y232 VanDerWaalsContact O-CD2 3.27Å; G217-Y232 WeakPolarHBondContact O-CD2 3.24Å; G217-Y232 WeakPolarHBondContact O-CE1 3.44Å; G217-Y232 WeakPolarHBondContact O-CE2 3.33Å; R218-Y232 VanDerWaalsContact C-CZ 3.44Å; R218-Y232 PolarHBondContact O-OH 2.79Å; M219-Y232 WeakPolarHBondContact CA-OH 3.4Å; M219-Y232 PolarHBondContact N-OH 3.45Å; C228-Y232 WeakPolarHBondContact O-CD2 3.38Å; C228-Y232 PolarHBondContact O-N 3.07Å; Y232-V234 VanDerWaalsContact C-N 3.3Å; Y232-V234 PolarHBondContact O-N 3.08Å; Y232-E235 WeakPolarHBondContact O-CB 3.45Å; Y232-E235 PolarHBondContact O-N 3.4Å; Y232-V236 PolarHBondContact O-N 3.27Å; Y232-V236 VanDerWaalsContact O-N 3.14Å
233G98.7Very high98.1Very high15 Ų1535 Ų3516%0.15518%0.177CC..Hα-helixtrans-58.3-41.6172.900000112.7V229 S230 K231 V236 F237V229-G233 PolarHBondContact O-N 2.93Å; S230-G233 PolarHBondContact O-N 3.47Å; K231-G233 VanDerWaalsContact C-N 3.27Å; K231-G233 PolarHBondContact O-N 3.47Å; G233-V236 WeakPolarHBondContact O-CG1 3.44Å; G233-F237 VanDerWaalsContact O-CB 3.26Å; G233-F237 WeakPolarHBondContact O-CB 3.29Å; G233-F237 PolarHBondContact O-N 3Å
234V98.8Very high98.3Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-65.7-40.6177.3173.40000111.5N187 L188 N211 A213 S230 K231 Y232 S238N187-V234 VanDerWaalsContact O-CG2 3.27Å; N187-V234 WeakPolarHBondContact O-CG2 3.37Å; L188-V234 HydrophobicContact CD1-CG2 4.23Å; N211-V234 HydrophobicContact CB-CG1 3.89Å; A213-V234 HydrophobicContact CB-CG1 4.3Å; S230-V234 WeakPolarHBondContact O-CG2 3.46Å; S230-V234 PolarHBondContact O-N 3.13Å; K231-V234 PolarHBondContact O-N 3.08Å; Y232-V234 VanDerWaalsContact C-N 3.3Å; Y232-V234 PolarHBondContact O-N 3.08Å; V234-S238 VanDerWaalsContact O-CB 3.31Å; V234-S238 WeakPolarHBondContact O-CB 3.5Å; V234-S238 PolarHBondContact O-N 3.28Å; V234-S238 PolarHBondContact O-OG 2.72Å
235E98.6Very high98.5Very high10 Ų1040.5 Ų40.55%0.04720%0.203CC..Hα-helixtrans-56.8-55.4176.1-74.7-72.2156.600111.6A213 G217 R218 K231 Y232 F237 S238 D239 I254 E256 R333A213-E235 HydrophobicContact CB-CG 4.37Å; A213-E235 WeakPolarHBondContact CB-OE1 3.46Å; G217-E235 WeakPolarHBondContact O-CG 2.91Å; R218-E235 HydrophobicContact CG-CG 4.34Å; K231-E235 PolarHBondContact O-N 3Å; K231-E235 VanDerWaalsContact O-N 3.08Å; Y232-E235 WeakPolarHBondContact O-CB 3.45Å; Y232-E235 PolarHBondContact O-N 3.4Å; E235-F237 PolarHBondContact O-N 3.02Å; E235-S238 PolarHBondContact O-N 2.9Å; E235-D239 PolarHBondContact O-N 2.79Å; E235-I254 VanDerWaalsContact OE1-CG2 3.3Å; E235-I254 WeakPolarHBondContact OE1-CG2 3.46Å; E235-I254 VanDerWaalsContact OE2-CD1 3.23Å; E235-I254 WeakPolarHBondContact OE2-CD1 3.38Å; E235-E256 WeakPolarHBondContact OE1-CG 3.34Å; E235-R333 IonicContact OE2-CZ 3.6Å; E235-R333 IonicContact OE2-NE 2.56Å; E235-R333 PolarHBondContact OE2-NE 3.5Å; E235-R333 VanDerWaalsContact OE2-NE 3.12Å; E235-R333 IonicContact OE2-NH2 3.52Å; E235-R333 PolarHBondContact OE2-NH2 3.38Å
236V98.4Very high98.5Very high89 Ų8946.7 Ų46.754%0.53923%0.226SC..Hα-helixtrans-67-40.1-176.369.50000111.6Y232 G233 S238 D239 C240Y232-V236 PolarHBondContact O-N 3.27Å; Y232-V236 VanDerWaalsContact O-N 3.14Å; G233-V236 WeakPolarHBondContact O-CG1 3.44Å; V236-S238 VanDerWaalsContact C-N 3.28Å; V236-S238 PolarHBondContact O-N 3.23Å; V236-D239 PolarHBondContact O-N 3.33Å; V236-C240 PolarHBondContact O-N 2.87Å; V236-C240 PolarHBondContact O-SG 2.91Å; V236-C240 VanDerWaalsContact O-SG 3.38Å
237F98.8Very high98.4Very high38 Ų3852.4 Ų52.417%0.16726%0.261CS..Hα-helixtrans-57.4-43.7173.6168.8-114.6000111.6T191 I192 T195 G233 E235 C240 L241T191-F237 HydrophobicContact CG2-CD1 4.31Å; T191-F237 HydrophobicContact CG2-CE1 4.21Å; I192-F237 HydrophobicContact CB-CZ 4.39Å; I192-F237 HydrophobicContact CD1-CD2 4.21Å; I192-F237 HydrophobicContact CD1-CG 4.22Å; I192-F237 HydrophobicContact CG1-CD1 3.82Å; I192-F237 HydrophobicContact CG1-CD2 3.78Å; I192-F237 HydrophobicContact CG1-CE1 3.9Å; I192-F237 HydrophobicContact CG1-CE2 3.88Å; I192-F237 HydrophobicContact CG1-CG 3.75Å; I192-F237 HydrophobicContact CG1-CZ 3.93Å; I192-F237 HydrophobicContact CG2-CE2 4.36Å; T195-F237 HydrophobicContact CG2-CE1 4.2Å; T195-F237 HydrophobicContact CG2-CZ 3.9Å; G233-F237 VanDerWaalsContact O-CB 3.26Å; G233-F237 WeakPolarHBondContact O-CB 3.29Å; G233-F237 PolarHBondContact O-N 3Å; E235-F237 PolarHBondContact O-N 3.02Å; F237-C240 PolarHBondContact O-N 2.79Å; F237-L241 HydrophobicContact CE1-CD2 4.4Å; F237-L241 HydrophobicContact CZ-CD2 4.24Å; F237-L241 WeakPolarHBondContact O-CB 3.47Å; F237-L241 PolarHBondContact O-N 2.79Å
238S98.8Very high98.4Very high1 Ų157.1 Ų57.11%0.00728%0.279CS..Hα-helixtrans-67.2-39-178.2-57.70000112.2N211 V234 E235 V236 R242 I254N211-S238 PolarHBondContact ND2-OG 2.61Å; V234-S238 VanDerWaalsContact O-CB 3.31Å; V234-S238 WeakPolarHBondContact O-CB 3.5Å; V234-S238 PolarHBondContact O-N 3.28Å; V234-S238 PolarHBondContact O-OG 2.72Å; E235-S238 PolarHBondContact O-N 2.9Å; V236-S238 VanDerWaalsContact C-N 3.28Å; V236-S238 PolarHBondContact O-N 3.23Å; S238-R242 VanDerWaalsContact O-CB 3.28Å; S238-R242 WeakPolarHBondContact O-CB 3.46Å; S238-R242 PolarHBondContact O-N 3Å; S238-I254 VanDerWaalsContact CB-CG1 3.49Å
239D98.6Very high98.3Very high29 Ų2958 Ų5816%0.15529%0.289CS..Hα-helixtrans-65.4-46174.9-86.9-30.6000112E235 V236 L241 R242 Y243 R333E235-D239 PolarHBondContact O-N 2.79Å; V236-D239 PolarHBondContact O-N 3.33Å; D239-L241 PolarHBondContact O-N 2.96Å; D239-R242 WeakPolarHBondContact O-CB 3.29Å; D239-R242 PolarHBondContact O-N 3.42Å; D239-R242 IonicContact OD1-CZ 3.07Å; D239-R242 IonicContact OD1-NE 3.05Å; D239-R242 PolarHBondContact OD1-NE 3.32Å; D239-R242 IonicContact OD1-NH2 3.95Å; D239-R242 PolarHBondContact OD1-NH2 3.27Å; D239-Y243 HydrophobicContact CB-CE2 4.12Å; D239-Y243 WeakPolarHBondContact O-CD2 3.03Å; D239-Y243 WeakPolarHBondContact O-CE2 3.5Å; D239-Y243 VanDerWaalsContact O-CG 3.23Å; D239-Y243 PolarHBondContact O-N 3.45Å; D239-R333 IonicContact OD1-CZ 3.18Å; D239-R333 IonicContact OD1-NH1 3.42Å; D239-R333 PolarHBondContact OD1-NH1 3.37Å; D239-R333 IonicContact OD1-NH2 2.89Å; D239-R333 IonicContact OD2-CZ 3.73Å; D239-R333 IonicContact OD2-NH1 3.84Å; D239-R333 PolarHBondContact OD2-NH1 2.89Å; D239-R333 IonicContact OD2-NH2 2.74Å; D239-R333 PolarHBondContact OD2-NH2 2.94Å
240C98.8Very high98.3Very high59 Ų5954.6 Ų54.640%0.39927%0.268SS..Hα-helixtrans-56.9-50.7174.3-68.90000111.3V236 F237 R242 Y243 E244V236-C240 PolarHBondContact O-N 2.87Å; V236-C240 PolarHBondContact O-SG 2.91Å; V236-C240 VanDerWaalsContact O-SG 3.38Å; F237-C240 PolarHBondContact O-N 2.79Å; C240-R242 VanDerWaalsContact C-N 3.28Å; C240-R242 PolarHBondContact O-N 3.42Å; C240-Y243 PolarHBondContact O-N 3.2Å; C240-Y243 VanDerWaalsContact O-N 3.13Å; C240-E244 WeakPolarHBondContact O-CG 3.32Å; C240-E244 PolarHBondContact O-N 3.29Å; C240-E244 VanDerWaalsContact O-N 3.07Å
241L98.8Very high98.3Very high8 Ų858.6 Ų58.64%0.04229%0.286CS..Hα-helixtrans-57.9-42.3178.4-177.367.9000111.6T195 L199 V209 F237 D239 Y243 E244 M245 V252T195-L241 HydrophobicContact CG2-CD2 3.64Å; L199-L241 HydrophobicContact CD1-CD1 4.24Å; L199-L241 HydrophobicContact CD2-CD1 3.84Å; V209-L241 HydrophobicContact CB-CD2 4.3Å; V209-L241 HydrophobicContact CG1-CD2 3.92Å; V209-L241 HydrophobicContact CG2-CD2 4.25Å; F237-L241 HydrophobicContact CE1-CD2 4.4Å; F237-L241 HydrophobicContact CZ-CD2 4.24Å; F237-L241 WeakPolarHBondContact O-CB 3.47Å; F237-L241 PolarHBondContact O-N 2.79Å; D239-L241 PolarHBondContact O-N 2.96Å; L241-Y243 VanDerWaalsContact C-N 3.33Å; L241-Y243 PolarHBondContact O-N 3.44Å; L241-E244 PolarHBondContact O-N 3.18Å; L241-M245 HydrophobicContact CD1-CG 3.67Å; L241-M245 HydrophobicContact CG-CG 4.05Å; L241-M245 WeakPolarHBondContact O-CB 3.4Å; L241-M245 VanDerWaalsContact O-CG 3.24Å; L241-M245 WeakPolarHBondContact O-CG 3.49Å; L241-M245 PolarHBondContact O-N 3.24Å; L241-V252 HydrophobicContact CD2-CG1 4.24Å; L241-V252 HydrophobicContact CD2-CG2 4.06Å; L241-V252 HydrophobicContact CG-CG2 4Å
242R98.6Very high98.3Very high64 Ų6458.4 Ų58.424%0.24229%0.285CS..Hα-helixtrans-60.7-41.5178.2-173.6173.453.976.42.1112.1S238 D239 C240 K246 V252S238-R242 VanDerWaalsContact O-CB 3.28Å; S238-R242 WeakPolarHBondContact O-CB 3.46Å; S238-R242 PolarHBondContact O-N 3Å; D239-R242 WeakPolarHBondContact O-CB 3.29Å; D239-R242 PolarHBondContact O-N 3.42Å; D239-R242 IonicContact OD1-CZ 3.07Å; D239-R242 IonicContact OD1-NE 3.05Å; D239-R242 PolarHBondContact OD1-NE 3.32Å; D239-R242 IonicContact OD1-NH2 3.95Å; D239-R242 PolarHBondContact OD1-NH2 3.27Å; C240-R242 VanDerWaalsContact C-N 3.28Å; C240-R242 PolarHBondContact O-N 3.42Å; R242-K246 PolarHBondContact O-N 2.95Å; R242-V252 HydrophobicContact CB-CB 3.86Å; R242-V252 HydrophobicContact CB-CG1 4.47Å; R242-V252 HydrophobicContact CB-CG2 4.17Å; R242-V252 HydrophobicContact CG-CB 4.2Å
243Y98.5Very high98.4Very high141 Ų14153.7 Ų53.755%0.55327%0.267SS*.Hα-helixtrans-65.2-48177.9-58.8-37.5000111.3D239 C240 L241 M245 K246D239-Y243 HydrophobicContact CB-CE2 4.12Å; D239-Y243 WeakPolarHBondContact O-CD2 3.03Å; D239-Y243 WeakPolarHBondContact O-CE2 3.5Å; D239-Y243 VanDerWaalsContact O-CG 3.23Å; D239-Y243 PolarHBondContact O-N 3.45Å; C240-Y243 PolarHBondContact O-N 3.2Å; C240-Y243 VanDerWaalsContact O-N 3.13Å; L241-Y243 VanDerWaalsContact C-N 3.33Å; L241-Y243 PolarHBondContact O-N 3.44Å; Y243-M245 PolarHBondContact O-N 3.45Å; Y243-K246 WeakPolarHBondContact O-CB 3.33Å
244E98.4Very high98.4Very high126 Ų12653.1 Ų53.159%0.58926%0.26SS*.Hα-helixtrans-64.8-39.2179.6-67.9175.8-16200112.5C240 L241 T247C240-E244 WeakPolarHBondContact O-CG 3.32Å; C240-E244 PolarHBondContact O-N 3.29Å; C240-E244 VanDerWaalsContact O-N 3.07Å; L241-E244 PolarHBondContact O-N 3.18Å; E244-T247 PolarHBondContact O-OG1 3.02Å
245M98.4Very high98.4Very high14 Ų1453.1 Ų53.17%0.06926%0.26CS..Hα-helixtrans-84.3-8.6-173.7-72.5-57.5102.700114.4L199 L241 Y243 T247 W248 G249 V250L199-M245 HydrophobicContact CD1-CG 4.2Å; L199-M245 HydrophobicContact CD1-SD 3.87Å; L199-M245 HydrophobicContact CD2-CE 4.21Å; L199-M245 HydrophobicContact CD2-SD 3.93Å; L199-M245 HydrophobicContact CG-SD 4.06Å; L241-M245 HydrophobicContact CD1-CG 3.67Å; L241-M245 HydrophobicContact CG-CG 4.05Å; L241-M245 WeakPolarHBondContact O-CB 3.4Å; L241-M245 VanDerWaalsContact O-CG 3.24Å; L241-M245 WeakPolarHBondContact O-CG 3.49Å; L241-M245 PolarHBondContact O-N 3.24Å; Y243-M245 PolarHBondContact O-N 3.45Å; M245-T247 VanDerWaalsContact C-N 3.3Å; M245-T247 PolarHBondContact O-N 2.86Å; M245-W248 PolarHBondContact O-N 2.71Å; M245-G249 PolarHBondContact O-N 2.9Å; M245-V250 HydrophobicContact CB-CB 4.01Å; M245-V250 HydrophobicContact CB-CG1 4.19Å; M245-V250 HydrophobicContact CG-CG1 4.48Å
246K97.1Very high98.3Very high164 Ų16452.6 Ų52.671%0.71326%0.258SS*.G310 helixtrans-55.6-42.7179.8-175.9179.3177.1-176.60112.6R242 Y243 W248 G249R242-K246 PolarHBondContact O-N 2.95Å; Y243-K246 WeakPolarHBondContact O-CB 3.33Å; K246-W248 PolarHBondContact O-N 3.11Å; K246-G249 PolarHBondContact O-N 3.29Å
247T97Very high98.3Very high121 Ų12148.7 Ų48.774%0.74224%0.235SC*.G310 helixtrans-64.8-24.9-179.852.90000112.8E244 M245E244-T247 PolarHBondContact O-OG1 3.02Å; M245-T247 VanDerWaalsContact C-N 3.3Å; M245-T247 PolarHBondContact O-N 2.86Å
248W97.5Very high98.2Very high126 Ų12647.4 Ų47.448%0.47723%0.232SC..G310 helixtrans-93.1-0.2-179.7-5798.2000113.6R203 M245 K246 V250R203-W248 VanDerWaalsContact CD-CD2 3.46Å; R203-W248 HydrophobicContact CG-CB 3.83Å; R203-W248 HydrophobicContact CG-CD2 3.94Å; R203-W248 HydrophobicContact CG-CE3 3.9Å; R203-W248 HydrophobicContact CG-CG 3.92Å; M245-W248 PolarHBondContact O-N 2.71Å; K246-W248 PolarHBondContact O-N 3.11Å; W248-V250 PolarHBondContact O-N 2.99Å
249G97.1Very high98Very high27 Ų2748.5 Ų48.528%0.27824%0.238SC..THydrogen-bonded Turntrans73.54.818000000115M245 K246M245-G249 PolarHBondContact O-N 2.9Å; K246-G249 PolarHBondContact O-N 3.29Å
250V98.4Very high97.9Very high4 Ų447.8 Ų47.82%0.02423%0.233CC..  trans-72.3139.4173169.60000109.2I202 R203 V209 M245 W248I202-V250 HydrophobicContact CG2-CG1 3.82Å; I202-V250 HydrophobicContact CG2-CG2 4.05Å; R203-V250 HydrophobicContact CB-CG2 4.43Å; V209-V250 HydrophobicContact CG2-CG1 4.26Å; M245-V250 HydrophobicContact CB-CB 4.01Å; M245-V250 HydrophobicContact CB-CG1 4.19Å; M245-V250 HydrophobicContact CG-CG1 4.48Å; W248-V250 PolarHBondContact O-N 2.99Å
251K98.6Very high97.7Very high84 Ų8445.8 Ų45.837%0.36522%0.218SC..EExtended strand (participates in β ladder)trans-105.6137.6175.1-50.5-60.6177.9-174.90109.6G207 R208 V209 P330G207-K251 PolarHBondContact O-N 2.78Å; G207-K251 VanDerWaalsContact O-N 3.07Å; R208-K251 CarbonylContact C-O 3.6Å; R208-K251 WeakPolarHBondContact CA-O 3.45Å; V209-K251 PolarHBondContact N-O 3.39Å; K251-P330 HydrophobicContact CB-CG 3.78Å; K251-P330 HydrophobicContact CG-CG 4.02Å
252V98.8Very high97.5Very high6 Ų647.8 Ų47.84%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-120.6126.6177.9-174.10000107.5V209 L241 R242V209-V252 HydrophobicContact CB-CG1 4.28Å; V209-V252 HydrophobicContact CB-CG2 4.22Å; V209-V252 HydrophobicContact CG1-CG1 4.41Å; V209-V252 CarbonylContact O-C 3.5Å; V209-V252 VanDerWaalsContact O-CA 3.29Å; V209-V252 WeakPolarHBondContact O-CA 3.05Å; L241-V252 HydrophobicContact CD2-CG1 4.24Å; L241-V252 HydrophobicContact CD2-CG2 4.06Å; L241-V252 HydrophobicContact CG-CG2 4Å; R242-V252 HydrophobicContact CB-CB 3.86Å; R242-V252 HydrophobicContact CB-CG1 4.47Å; R242-V252 HydrophobicContact CB-CG2 4.17Å; R242-V252 HydrophobicContact CG-CB 4.2Å
253S98.8Very high97.3Very high2 Ų245.9 Ų45.91%0.01423%0.229CC..EExtended strand (participates in β ladder)trans-128.7143.8-179.4-64.70000109.7V209 V210 N211 Y331V209-S253 PolarHBondContact O-N 2.99Å; V210-S253 WeakPolarHBondContact CA-O 3.37Å; N211-S253 PolarHBondContact N-O 3.2Å; S253-Y331 WeakPolarHBondContact CB-O 3.28Å; S253-Y331 PolarHBondContact OG-O 2.94Å
254I98.8Very high97.2Very high2 Ų240.2 Ų40.21%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-111.7133.5177.2-50.2169.6000107.7N211 A213 E235 S238 E256 T332 R333 Y334N211-I254 WeakPolarHBondContact O-CA 3.04Å; A213-I254 HydrophobicContact CB-CG2 3.51Å; E235-I254 VanDerWaalsContact OE1-CG2 3.3Å; E235-I254 WeakPolarHBondContact OE1-CG2 3.46Å; E235-I254 VanDerWaalsContact OE2-CD1 3.23Å; E235-I254 WeakPolarHBondContact OE2-CD1 3.38Å; S238-I254 VanDerWaalsContact CB-CG1 3.49Å; I254-E256 HydrophobicContact CG2-CG 4.29Å; I254-T332 PolarHBondContact N-O 3.47Å; I254-R333 HydrophobicContact CB-CG 4.19Å; I254-R333 HydrophobicContact CD1-CG 4.32Å; I254-R333 CarbonylContact O-C 3.46Å; I254-R333 VanDerWaalsContact O-CA 3.3Å; I254-R333 WeakPolarHBondContact O-CA 3.29Å; I254-Y334 PolarHBondContact O-N 3.06Å
255I98.7Very high96.9Very high0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-105.2127.5171.7-45-60.8000106.9V210 N211 I212 A213 P257 V317 D320 I321 A324 Y334 P336V210-I255 HydrophobicContact CG1-CD1 3.96Å; V210-I255 HydrophobicContact CG1-CG1 3.6Å; N211-I255 PolarHBondContact O-N 2.77Å; I212-I255 HydrophobicContact CD1-CB 3.72Å; I212-I255 HydrophobicContact CD1-CG1 3.64Å; I212-I255 HydrophobicContact CD1-CG2 4.38Å; A213-I255 WeakPolarHBondContact CA-O 3.47Å; A213-I255 PolarHBondContact N-O 3.02Å; I255-P257 VanDerWaalsContact C-CD 3.41Å; I255-P257 HydrophobicContact CG2-CG 4.12Å; I255-P257 VanDerWaalsContact O-CD 3.23Å; I255-P257 WeakPolarHBondContact O-CD 3.35Å; I255-V317 HydrophobicContact CG2-CG1 4.36Å; I255-D320 HydrophobicContact CD1-CB 4.48Å; I255-I321 HydrophobicContact CD1-CG1 4.22Å; I255-I321 HydrophobicContact CG1-CG1 3.81Å; I255-A324 HydrophobicContact CD1-CB 4.39Å; I255-Y334 CarbonylContact C-O 3.44Å; I255-Y334 HydrophobicContact CD1-CD2 3.63Å; I255-Y334 HydrophobicContact CD1-CE2 4.47Å; I255-Y334 HydrophobicContact CD1-CG 3.8Å; I255-P336 HydrophobicContact CG2-CG 3.8Å
256E97.9Very high96.7Very high0 Ų038 Ų380%021%0.208CC..  trans-114.475-178.3-61.9169.3174.500109.3R218 E235 I254 R333 Y334 S335 M337R218-E256 WeakPolarHBondContact CD-OE1 3.2Å; R218-E256 IonicContact NH1-OE1 3.27Å; R218-E256 IonicContact NH1-OE2 3.42Å; E235-E256 WeakPolarHBondContact OE1-CG 3.34Å; I254-E256 HydrophobicContact CG2-CG 4.29Å; E256-R333 VanDerWaalsContact OE1-CD 3.23Å; E256-R333 WeakPolarHBondContact OE1-CD 3.48Å; E256-R333 IonicContact OE1-NE 2.73Å; E256-R333 PolarHBondContact OE1-NE 2.85Å; E256-Y334 PolarHBondContact N-O 3.27Å; E256-S335 PolarHBondContact OE2-OG 3.39Å; E256-M337 HydrophobicContact CB-CE 4.17Å; E256-M337 WeakPolarHBondContact O-CE 3.43Å
257P97.6Very high96.5Very high7 Ų730.3 Ų30.35%0.04518%0.175CC..  trans-63.4147.8177.8-21.533.3000112.2F86 I212 M215 I255 Y260 V317 P336F86-P257 HydrophobicContact CE2-CB 4.34Å; F86-P257 HydrophobicContact CE2-CG 4.18Å; F86-P257 HydrophobicContact CZ-CB 4.42Å; I212-P257 HydrophobicContact CG2-CG 4.19Å; M215-P257 PolarHBondContact N-O 3.32Å; I255-P257 VanDerWaalsContact C-CD 3.41Å; I255-P257 HydrophobicContact CG2-CG 4.12Å; I255-P257 VanDerWaalsContact O-CD 3.23Å; I255-P257 WeakPolarHBondContact O-CD 3.35Å; P257-Y260 HydrophobicContact CB-CD2 3.84Å; P257-Y260 HydrophobicContact CB-CE2 3.98Å; P257-V317 HydrophobicContact CB-CG2 4.43Å; P257-V317 HydrophobicContact CG-CG1 4.29Å; P257-P336 WeakPolarHBondContact CA-O 3.4Å
258G96.3Very high96.4Very high11 Ų1127.1 Ų27.111%0.11316%0.156CC..  trans-76.3-137.2167.700000112.6P336G258-P336 PolarHBondContact N-O 3.39Å; G258-P336 VanDerWaalsContact N-O 3.08Å
259N95.4Very high96.2Very high23 Ų2328.2 Ų28.212%0.12316%0.159CC..  trans-88.8107.9178.1-174.28.6000111.7I261 S309 G310 E311N259-I261 WeakPolarHBondContact OD1-CD1 3.27Å; N259-I261 VanDerWaalsContact OD1-CG1 3.27Å; N259-I261 WeakPolarHBondContact OD1-CG1 3.35Å; N259-I261 PolarHBondContact OD1-N 2.94Å; N259-S309 PolarHBondContact ND2-OG 2.62Å; N259-G310 VanDerWaalsContact CG-CA 3.45Å; N259-G310 WeakPolarHBondContact ND2-CA 3.48Å; N259-G310 PolarHBondContact ND2-N 3.21Å; N259-G310 CarbonylContact O-C 3.53Å; N259-G310 WeakPolarHBondContact O-CA 3.36Å; N259-E311 PolarHBondContact O-N 3.41Å
260Y96.6Very high96Very high14 Ų1432.9 Ų32.96%0.05518%0.178CC..  trans-123.730.2175.4-70.7-94.4000112.1F86 P257 V262 A263 T264 E311 D313 V317 P336F86-Y260 HydrophobicContact CE1-CD1 4.06Å; F86-Y260 HydrophobicContact CE1-CG 4.13Å; F86-Y260 AromaticContact CZ-CD1 3.98Å; F86-Y260 HydrophobicContact CZ-CD1 3.98Å; F86-Y260 AromaticContact CZ-CD2 3.93Å; F86-Y260 HydrophobicContact CZ-CD2 3.93Å; F86-Y260 AromaticContact CZ-CG 3.57Å; F86-Y260 HydrophobicContact CZ-CG 3.57Å; P257-Y260 HydrophobicContact CB-CD2 3.84Å; P257-Y260 HydrophobicContact CB-CE2 3.98Å; Y260-V262 VanDerWaalsContact C-N 3.33Å; Y260-V262 PolarHBondContact O-N 2.97Å; Y260-A263 HydrophobicContact CD1-CB 4.43Å; Y260-A263 PolarHBondContact O-N 3.33Å; Y260-T264 WeakPolarHBondContact O-CB 3.28Å; Y260-T264 WeakPolarHBondContact O-CG2 3.48Å; Y260-T264 PolarHBondContact O-N 2.87Å; Y260-T264 PolarHBondContact O-OG1 2.86Å; Y260-E311 HydrophobicContact CD1-CB 3.64Å; Y260-E311 HydrophobicContact CE1-CB 3.45Å; Y260-E311 VanDerWaalsContact CE1-CB 3.45Å; Y260-E311 HydrophobicContact CE1-CG 4.18Å; Y260-E311 HydrophobicContact CG-CB 4.35Å; Y260-D313 WeakPolarHBondContact CE1-O 3.46Å; Y260-V317 HydrophobicContact CD1-CG2 4.34Å; Y260-V317 HydrophobicContact CD2-CG2 4.25Å; Y260-V317 HydrophobicContact CE1-CG2 3.77Å; Y260-V317 HydrophobicContact CE2-CG2 3.66Å; Y260-V317 VanDerWaalsContact CZ-CG2 3.4Å; Y260-P336 VanDerWaalsContact CE2-O 3.29Å; Y260-P336 WeakPolarHBondContact CE2-O 3.28Å; Y260-P336 PolarHBondContact OH-O 2.97Å
261I95.3Very high95.8Very high17 Ų1736 Ų369%0.08719%0.194CC..Hα-helixtrans-56.7-47.5-176.1-72168.2000111.1N259 G265 I266 L267 Y306N259-I261 WeakPolarHBondContact OD1-CD1 3.27Å; N259-I261 VanDerWaalsContact OD1-CG1 3.27Å; N259-I261 WeakPolarHBondContact OD1-CG1 3.35Å; N259-I261 PolarHBondContact OD1-N 2.94Å; I261-G265 WeakPolarHBondContact O-CA 3.48Å; I261-G265 PolarHBondContact O-N 2.82Å; I261-I266 HydrophobicContact CG1-CG2 4.35Å; I261-L267 HydrophobicContact CD1-CD1 4.02Å; I261-L267 HydrophobicContact CG1-CD1 4.34Å; I261-L267 HydrophobicContact CG2-CB 4.01Å; I261-Y306 WeakPolarHBondContact CG2-O 3.04Å
262V94Very high95.6Very high50 Ų5032 Ų3230%0.30318%0.177SC..Hα-helixtrans-66.2-39.6-179.166.90000113.1Y260 S309 G310 E311 K312Y260-V262 VanDerWaalsContact C-N 3.33Å; Y260-V262 PolarHBondContact O-N 2.97Å; V262-S309 PolarHBondContact N-O 2.78Å; V262-G310 VanDerWaalsContact CG1-O 3.27Å; V262-G310 WeakPolarHBondContact CG1-O 3.28Å; V262-E311 VanDerWaalsContact CG1-O 3.29Å; V262-E311 WeakPolarHBondContact CG1-O 3.41Å; V262-K312 HydrophobicContact CG1-CG 3.71Å; V262-K312 HydrophobicContact CG2-CG 4.44Å
263A94.9Very high95.4Very high25 Ų2533.7 Ų33.721%0.20719%0.191CC..Hα-helixtrans-71.7-35.4-17900000113.3Y260 E311 M314Y260-A263 HydrophobicContact CD1-CB 4.43Å; Y260-A263 PolarHBondContact O-N 3.33Å; A263-E311 VanDerWaalsContact CB-O 3.22Å; A263-E311 WeakPolarHBondContact CB-O 3.26Å; A263-M314 HydrophobicContact CB-CG 3.58Å; A263-M314 HydrophobicContact CB-SD 4.06Å
264T94.8Very high95.3Very high21 Ų2138.2 Ų38.213%0.12922%0.219CC..Hα-helixtrans-93.7-23-174.658.10000113.5F86 Y260 I266 M314F86-T264 HydrophobicContact CD1-CG2 4.1Å; F86-T264 HydrophobicContact CD2-CG2 3.98Å; F86-T264 HydrophobicContact CE1-CG2 3.9Å; F86-T264 HydrophobicContact CE2-CG2 3.77Å; F86-T264 HydrophobicContact CG-CG2 4.13Å; F86-T264 HydrophobicContact CZ-CG2 3.73Å; Y260-T264 WeakPolarHBondContact O-CB 3.28Å; Y260-T264 WeakPolarHBondContact O-CG2 3.48Å; Y260-T264 PolarHBondContact O-N 2.87Å; Y260-T264 PolarHBondContact O-OG1 2.86Å; T264-I266 PolarHBondContact O-N 3.45Å; T264-I266 WeakPolarHBondContact OG1-CG2 3.39Å; T264-I266 PolarHBondContact OG1-N 3.13Å; T264-M314 HydrophobicContact CG2-SD 4.26Å
265G93.4Very high95.1Very high33 Ų3339.3 Ų39.334%0.3423%0.225SC..  trans67.515.7-171.800000113.6I261 L267 T268I261-G265 WeakPolarHBondContact O-CA 3.48Å; I261-G265 PolarHBondContact O-N 2.82Å; G265-L267 PolarHBondContact O-N 2.92Å; G265-L267 VanDerWaalsContact O-N 3.12Å; G265-T268 VanDerWaalsContact O-CG2 3.26Å; G265-T268 WeakPolarHBondContact O-CG2 3.4Å
266I94.3Very high95Very high60 Ų6039.5 Ų39.531%0.30823%0.227SC..THydrogen-bonded Turntrans-64.1-20.2-174.9-161169.8000113.7I261 T264I261-I266 HydrophobicContact CG1-CG2 4.35Å; T264-I266 PolarHBondContact O-N 3.45Å; T264-I266 WeakPolarHBondContact OG1-CG2 3.39Å; T264-I266 PolarHBondContact OG1-N 3.13Å
267L93.1Very high94.9Very high4 Ų444.2 Ų44.22%0.02125%0.252CS..THydrogen-bonded Turntrans-136.471175-70172000110.6F169 I261 G265 I271 V272 C307F169-L267 HydrophobicContact CD1-CD2 4.39Å; I261-L267 HydrophobicContact CD1-CD1 4.02Å; I261-L267 HydrophobicContact CG1-CD1 4.34Å; I261-L267 HydrophobicContact CG2-CB 4.01Å; G265-L267 PolarHBondContact O-N 2.92Å; G265-L267 VanDerWaalsContact O-N 3.12Å; L267-I271 HydrophobicContact CD2-CG2 4.2Å; L267-V272 HydrophobicContact CB-CG2 4.29Å; L267-C307 PolarHBondContact O-SG 3.38Å
268T93.8Very high94.8Very high54 Ų5447.3 Ų47.333%0.33127%0.265SS..  trans-64.5165.2172.570.20000111.6G265 D270 I271 V272G265-T268 VanDerWaalsContact O-CG2 3.26Å; G265-T268 WeakPolarHBondContact O-CG2 3.4Å; T268-D270 PolarHBondContact O-N 3.44Å; T268-I271 HydrophobicContact CG2-CD1 4.29Å; T268-I271 PolarHBondContact O-N 3.49Å; T268-I271 WeakPolarHBondContact OG1-CG1 3.48Å; T268-I271 PolarHBondContact OG1-N 3.47Å; T268-V272 WeakPolarHBondContact O-CG2 3.32Å; T268-V272 PolarHBondContact O-N 3.32Å
269R92.8Very high94.8Very high148 Ų14847.1 Ų47.156%0.55826%0.261SS*.Hα-helixtrans-57.6-38.7176.9-66.6-179.666.694.6-2.3112V272 A273 C307R269-V272 PolarHBondContact O-N 3.38Å; R269-A273 WeakPolarHBondContact O-CB 3.34Å; R269-A273 PolarHBondContact O-N 3.04Å; R269-C307 HydrophobicContact CG-CB 3.95Å
270D93.8Very high94.8Very high126 Ų12648.4 Ų48.467%0.67426%0.264SS*.Hα-helixtrans-71.1-40.2-178.8-58.8-28.4000111.9T268 V272 A273 T274T268-D270 PolarHBondContact O-N 3.44Å; D270-V272 VanDerWaalsContact C-N 3.33Å; D270-V272 PolarHBondContact O-N 2.75Å; D270-A273 PolarHBondContact O-N 3.44Å; D270-T274 WeakPolarHBondContact O-CB 3.42Å; D270-T274 PolarHBondContact O-N 3.03Å; D270-T274 PolarHBondContact O-OG1 3.35Å
271I94.4Very high94.7Very high69 Ų6953.2 Ų53.235%0.35429%0.291SS..Hα-helixtrans-61.8-44.3173.3-68.1169.6000109.9L267 T268 T274 T275L267-I271 HydrophobicContact CD2-CG2 4.2Å; T268-I271 HydrophobicContact CG2-CD1 4.29Å; T268-I271 PolarHBondContact O-N 3.49Å; T268-I271 WeakPolarHBondContact OG1-CG1 3.48Å; T268-I271 PolarHBondContact OG1-N 3.47Å; I271-T274 PolarHBondContact O-N 2.81Å; I271-T275 VanDerWaalsContact O-CB 3.28Å; I271-T275 WeakPolarHBondContact O-CB 3.45Å; I271-T275 PolarHBondContact O-N 3.34Å; I271-T275 PolarHBondContact O-OG1 2.99Å
272V95Very high94.7Very high1 Ų157.8 Ų57.81%0.00631%0.312CS..Hα-helixtrans-64.3-44.5178.1170.70000111.5F169 L267 T268 R269 D270 T275 A276 M303 R304 C307F169-V272 HydrophobicContact CE1-CB 4.14Å; F169-V272 HydrophobicContact CE1-CG1 4.08Å; F169-V272 HydrophobicContact CE1-CG2 3.84Å; F169-V272 HydrophobicContact CZ-CB 4.25Å; F169-V272 HydrophobicContact CZ-CG1 3.78Å; F169-V272 HydrophobicContact CZ-CG2 4.39Å; F169-V272 WeakPolarHBondContact CZ-O 3.33Å; L267-V272 HydrophobicContact CB-CG2 4.29Å; T268-V272 WeakPolarHBondContact O-CG2 3.32Å; T268-V272 PolarHBondContact O-N 3.32Å; R269-V272 PolarHBondContact O-N 3.38Å; D270-V272 VanDerWaalsContact C-N 3.33Å; D270-V272 PolarHBondContact O-N 2.75Å; V272-T275 PolarHBondContact O-N 3.24Å; V272-A276 VanDerWaalsContact O-CB 3.28Å; V272-A276 WeakPolarHBondContact O-CB 3.27Å; V272-A276 PolarHBondContact O-N 3.13Å; V272-M303 HydrophobicContact CG1-CB 4.2Å; V272-R304 HydrophobicContact CG1-CG 3.78Å; V272-C307 WeakPolarHBondContact CG2-SG 3.27Å
273A94.7Very high94.8Very high40 Ų4055.7 Ų55.733%0.33130%0.3SS..Hα-helixtrans-62.3-46.1177.300000112R269 D270 T275 A276 N277R269-A273 WeakPolarHBondContact O-CB 3.34Å; R269-A273 PolarHBondContact O-N 3.04Å; D270-A273 PolarHBondContact O-N 3.44Å; A273-T275 PolarHBondContact O-N 3.17Å; A273-A276 PolarHBondContact O-N 3.14Å; A273-N277 VanDerWaalsContact O-CG 3.32Å; A273-N277 PolarHBondContact O-N 3.03Å; A273-N277 PolarHBondContact O-ND2 3.36Å
274T95.7Very high94.8Very high97 Ų9757.3 Ų57.360%0.59531%0.308SS*.Hα-helixtrans-63.6-43.2179.3-54.60000111.5D270 I271 N277 K278D270-T274 WeakPolarHBondContact O-CB 3.42Å; D270-T274 PolarHBondContact O-N 3.03Å; D270-T274 PolarHBondContact O-OG1 3.35Å; I271-T274 PolarHBondContact O-N 2.81Å; T274-N277 PolarHBondContact O-N 3.42Å; T274-K278 WeakPolarHBondContact O-CB 3.36Å; T274-K278 PolarHBondContact O-N 3.32Å
275T95.8Very high94.9Very high25 Ų2560 Ų6015%0.15333%0.333CS..Hα-helixtrans-64.8-43.6177.4-55.50000111F169 I271 V272 A273 N277 K278 L279F169-T275 HydrophobicContact CD1-CG2 4.15Å; F169-T275 HydrophobicContact CE1-CG2 3.7Å; F169-T275 HydrophobicContact CE2-CG2 4.18Å; F169-T275 HydrophobicContact CZ-CG2 3.73Å; I271-T275 VanDerWaalsContact O-CB 3.28Å; I271-T275 WeakPolarHBondContact O-CB 3.45Å; I271-T275 PolarHBondContact O-N 3.34Å; I271-T275 PolarHBondContact O-OG1 2.99Å; V272-T275 PolarHBondContact O-N 3.24Å; A273-T275 PolarHBondContact O-N 3.17Å; T275-N277 PolarHBondContact O-N 3.27Å; T275-K278 PolarHBondContact O-N 2.99Å; T275-L279 HydrophobicContact CG2-CD1 4.15Å; T275-L279 HydrophobicContact CG2-CG 4.34Å; T275-L279 VanDerWaalsContact O-CG 3.26Å; T275-L279 WeakPolarHBondContact O-CG 3.18Å; T275-L279 PolarHBondContact O-N 2.56Å
276A95.4Very high95.1Very high4 Ų464.8 Ų64.83%0.03335%0.347CS..Hα-helixtrans-59.1-4817700000111.9V272 A273 K278 L279 W280 F296 M300V272-A276 VanDerWaalsContact O-CB 3.28Å; V272-A276 WeakPolarHBondContact O-CB 3.27Å; V272-A276 PolarHBondContact O-N 3.13Å; A273-A276 PolarHBondContact O-N 3.14Å; A276-K278 VanDerWaalsContact C-N 3.35Å; A276-K278 PolarHBondContact O-N 3.48Å; A276-L279 PolarHBondContact O-N 3.14Å; A276-W280 PolarHBondContact O-N 3Å; A276-F296 VanDerWaalsContact O-CZ 3.28Å; A276-F296 WeakPolarHBondContact O-CZ 3.35Å; A276-M300 HydrophobicContact CB-CB 4.49Å; A276-M300 HydrophobicContact CB-CG 3.91Å; A276-M300 HydrophobicContact CB-SD 3.38Å; A276-M300 WeakPolarHBondContact CB-SD 3.48Å
277N95.1Very high95.2Very high100 Ų10062.3 Ų62.354%0.53533%0.334SS..Hα-helixtrans-59.8-47177.7-67.7-16.2000111.1A273 T274 T275 L279 W280 D281A273-N277 VanDerWaalsContact O-CG 3.32Å; A273-N277 PolarHBondContact O-N 3.03Å; A273-N277 PolarHBondContact O-ND2 3.36Å; T274-N277 PolarHBondContact O-N 3.42Å; T275-N277 PolarHBondContact O-N 3.27Å; N277-L279 PolarHBondContact O-N 2.74Å; N277-W280 PolarHBondContact O-N 3.28Å; N277-D281 WeakPolarHBondContact O-CB 3.39Å; N277-D281 PolarHBondContact O-N 3.36Å
278K95.5Very high95.3Very high71 Ų7164.7 Ų64.731%0.30934%0.344SS..Hα-helixtrans-56.7-48.8177.1-173.9-173176.6-170.20112.3T274 T275 A276 W280 D281 E282T274-K278 WeakPolarHBondContact O-CB 3.36Å; T274-K278 PolarHBondContact O-N 3.32Å; T275-K278 PolarHBondContact O-N 2.99Å; A276-K278 VanDerWaalsContact C-N 3.35Å; A276-K278 PolarHBondContact O-N 3.48Å; K278-W280 VanDerWaalsContact C-N 3.33Å; K278-W280 PolarHBondContact O-N 2.76Å; K278-D281 PolarHBondContact O-N 2.75Å; K278-E282 WeakPolarHBondContact CE-OE1 3.46Å; K278-E282 WeakPolarHBondContact CE-OE2 3.48Å; K278-E282 HydrophobicContact CG-CG 4.26Å; K278-E282 VanDerWaalsContact CG-OE1 3.31Å; K278-E282 WeakPolarHBondContact CG-OE1 3.12Å; K278-E282 WeakPolarHBondContact O-CB 3.46Å; K278-E282 WeakPolarHBondContact O-CG 3.4Å; K278-E282 PolarHBondContact O-N 3.46Å
279L96.3Very high95.5Very high7 Ų769.8 Ų69.84%0.03737%0.365CS..Hα-helixtrans-58.9-44.4179.7-71.1169.8000111.6F169 F174 T175 T275 A276 N277 A283 F296F169-L279 HydrophobicContact CD2-CD1 4.14Å; F169-L279 HydrophobicContact CE2-CD1 3.99Å; F169-L279 WeakPolarHBondContact O-CD1 3.45Å; F174-L279 HydrophobicContact CB-CD2 4.33Å; F174-L279 VanDerWaalsContact O-CD2 3.23Å; F174-L279 WeakPolarHBondContact O-CD2 3.23Å; T175-L279 HydrophobicContact CG2-CD2 3.93Å; T275-L279 HydrophobicContact CG2-CD1 4.15Å; T275-L279 HydrophobicContact CG2-CG 4.34Å; T275-L279 VanDerWaalsContact O-CG 3.26Å; T275-L279 WeakPolarHBondContact O-CG 3.18Å; T275-L279 PolarHBondContact O-N 2.56Å; A276-L279 PolarHBondContact O-N 3.14Å; N277-L279 PolarHBondContact O-N 2.74Å; L279-A283 VanDerWaalsContact O-CB 3.25Å; L279-A283 WeakPolarHBondContact O-CB 3.49Å; L279-A283 PolarHBondContact O-N 3.17Å; L279-F296 HydrophobicContact CB-CE2 3.98Å; L279-F296 HydrophobicContact CB-CZ 4.05Å
280W95.9Very high95.7Very high50 Ų5069 Ų6919%0.18937%0.371CS..Hα-helixtrans-68-48.9178-174.7-99.5000110.9F174 A276 N277 K278 E282 A283 K288 K293 F296F174-W280 AromaticContact CE1-CE3 3.9Å; F174-W280 HydrophobicContact CE1-CE3 3.9Å; F174-W280 HydrophobicContact CE1-CZ3 4.05Å; F174-W280 HydrophobicContact CZ-CZ3 4.36Å; A276-W280 PolarHBondContact O-N 3Å; N277-W280 PolarHBondContact O-N 3.28Å; K278-W280 VanDerWaalsContact C-N 3.33Å; K278-W280 PolarHBondContact O-N 2.76Å; W280-E282 PolarHBondContact O-N 2.86Å; W280-A283 PolarHBondContact O-N 3.08Å; W280-K288 HydrophobicContact CH2-CB 4.09Å; W280-K288 HydrophobicContact CH2-CG 3.97Å; W280-K288 HydrophobicContact CZ2-CB 4.4Å; W280-K288 HydrophobicContact CZ2-CD 4.47Å; W280-K288 HydrophobicContact CZ2-CG 4.11Å; W280-K288 HydrophobicContact CZ3-CG 4.2Å; W280-K288 WeakPolarHBondContact O-CE 3.29Å; W280-K288 PolarHBondContact O-NZ 2.79Å; W280-K293 VanDerWaalsContact CH2-CA 3.46Å; W280-K293 HydrophobicContact CH2-CB 3.64Å; W280-K293 HydrophobicContact CH2-CG 4.07Å; W280-K293 HydrophobicContact CZ2-CB 3.87Å; W280-K293 HydrophobicContact CZ2-CD 4.19Å; W280-K293 HydrophobicContact CZ2-CG 3.98Å; W280-K293 HydrophobicContact CZ3-CB 4.35Å; W280-F296 HydrophobicContact CB-CD1 4.37Å; W280-F296 HydrophobicContact CB-CE1 3.75Å; W280-F296 HydrophobicContact CB-CE2 4.49Å; W280-F296 HydrophobicContact CB-CZ 3.83Å; W280-F296 HydrophobicContact CD2-CD1 4.22Å; W280-F296 HydrophobicContact CD2-CE1 4.47Å; W280-F296 HydrophobicContact CD2-CG 4.5Å; W280-F296 HydrophobicContact CE3-CB 3.8Å; W280-F296 AromaticContact CE3-CD1 3.59Å; W280-F296 HydrophobicContact CE3-CD1 3.59Å; W280-F296 AromaticContact CE3-CD2 3.91Å; W280-F296 HydrophobicContact CE3-CD2 3.91Å; W280-F296 HydrophobicContact CE3-CE1 4.13Å; W280-F296 HydrophobicContact CE3-CE2 4.41Å; W280-F296 AromaticContact CE3-CG 3.47Å; W280-F296 HydrophobicContact CE3-CG 3.47Å; W280-F296 VanDerWaalsContact CE3-CG 3.47Å; W280-F296 HydrophobicContact CG-CE1 4.36Å; W280-F296 HydrophobicContact CZ3-CB 3.68Å; W280-F296 HydrophobicContact CZ3-CD1 4.31Å; W280-F296 HydrophobicContact CZ3-CD2 4.47Å; W280-F296 AromaticContact CZ3-CG 3.91Å; W280-F296 HydrophobicContact CZ3-CG 3.91Å
281D95.1Very high95.8Very high115 Ų11566.8 Ų66.862%0.61535%0.354SS*.Hα-helixtrans-63.3-42.5-174.1-67.8-22000111.7N277 K278 K288N277-D281 WeakPolarHBondContact O-CB 3.39Å; N277-D281 PolarHBondContact O-N 3.36Å; K278-D281 PolarHBondContact O-N 2.75Å; D281-K288 PolarHBondContact O-NZ 3.25Å
282E95.1Very high95.9Very high113 Ų11364.6 Ų64.653%0.52835%0.349SS..Hα-helixtrans-80.8-13.5-178.6-65.2179.6-17400114.3K278 W280K278-E282 WeakPolarHBondContact CE-OE1 3.46Å; K278-E282 WeakPolarHBondContact CE-OE2 3.48Å; K278-E282 HydrophobicContact CG-CG 4.26Å; K278-E282 VanDerWaalsContact CG-OE1 3.31Å; K278-E282 WeakPolarHBondContact CG-OE1 3.12Å; K278-E282 WeakPolarHBondContact O-CB 3.46Å; K278-E282 WeakPolarHBondContact O-CG 3.4Å; K278-E282 PolarHBondContact O-N 3.46Å; W280-E282 PolarHBondContact O-N 2.86Å
283A95.4Very high95.8Very high6 Ų670.5 Ų70.55%0.0537%0.374CS..SBendtrans-64.7140.9-177.700000112.5F174 L279 W280 K288F174-A283 HydrophobicContact CD1-CB 3.63Å; F174-A283 HydrophobicContact CE1-CB 3.86Å; L279-A283 VanDerWaalsContact O-CB 3.25Å; L279-A283 WeakPolarHBondContact O-CB 3.49Å; L279-A283 PolarHBondContact O-N 3.17Å; W280-A283 PolarHBondContact O-N 3.08Å; A283-K288 HydrophobicContact CB-CG 4.15Å; A283-K288 VanDerWaalsContact O-CE 3.25Å; A283-K288 WeakPolarHBondContact O-CE 3.29Å; A283-K288 PolarHBondContact O-NZ 3.27Å
284P95.7Very high95.9Very high59 Ų5973.5 Ų73.538%0.38339%0.393SS..  trans-55151.8174.2-25.434.5000112.8E286 V287 K288P284-E286 VanDerWaalsContact C-N 3.31Å; P284-E286 HydrophobicContact CB-CG 4.02Å; P284-E286 PolarHBondContact O-N 3.45Å; P284-V287 HydrophobicContact CB-CB 4.41Å; P284-V287 HydrophobicContact CB-CG2 4.04Å; P284-V287 HydrophobicContact CG-CG2 4.04Å; P284-V287 PolarHBondContact O-N 3.4Å; P284-K288 WeakPolarHBondContact O-CG 3.49Å; P284-K288 PolarHBondContact O-N 3.21Å; P284-K288 VanDerWaalsContact O-N 3.07Å
285A96.4Very high95.9Very high78 Ų7871.5 Ų71.565%0.64538%0.377SS*.Hα-helixtrans-60.3-41.4179.700000112.1K288 E289A285-K288 WeakPolarHBondContact O-CB 3.43Å; A285-K288 PolarHBondContact O-N 3.17Å; A285-E289 WeakPolarHBondContact O-CB 3.22Å; A285-E289 PolarHBondContact O-N 3.03Å
286E97.3Very high95.8Very high134 Ų13470.5 Ų70.563%0.62637%0.37SS*.Hα-helixtrans-59.3-46.5176.364.6-168.717500111.9P284 K288 E289 D290P284-E286 VanDerWaalsContact C-N 3.31Å; P284-E286 HydrophobicContact CB-CG 4.02Å; P284-E286 PolarHBondContact O-N 3.45Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 2.91Å; E286-E289 PolarHBondContact O-N 3.4Å; E286-E289 VanDerWaalsContact O-N 3.16Å; E286-D290 WeakPolarHBondContact O-CB 3.19Å; E286-D290 PolarHBondContact O-N 3.34Å
287V96.8Very high95.8Very high7 Ų773.9 Ų73.94%0.04239%0.385CS..Hα-helixtrans-62.3-41.4178177.10000110.9E173 F174 P284 E289 Y291E173-V287 HydrophobicContact CB-CG1 4.04Å; E173-V287 HydrophobicContact CB-CG2 4.02Å; F174-V287 HydrophobicContact CD1-CG1 4.45Å; F174-V287 HydrophobicContact CD2-CG1 3.88Å; F174-V287 HydrophobicContact CE1-CG1 4.15Å; F174-V287 HydrophobicContact CE2-CG1 3.57Å; F174-V287 HydrophobicContact CG-CG1 4.33Å; F174-V287 HydrophobicContact CZ-CG1 3.72Å; P284-V287 HydrophobicContact CB-CB 4.41Å; P284-V287 HydrophobicContact CB-CG2 4.04Å; P284-V287 HydrophobicContact CG-CG2 4.04Å; P284-V287 PolarHBondContact O-N 3.4Å; V287-E289 VanDerWaalsContact C-N 3.34Å; V287-E289 PolarHBondContact O-N 2.92Å; V287-Y291 HydrophobicContact CG1-CD2 3.99Å; V287-Y291 HydrophobicContact CG1-CE2 4.3Å; V287-Y291 VanDerWaalsContact O-CB 3.31Å; V287-Y291 WeakPolarHBondContact O-CB 3.47Å; V287-Y291 VanDerWaalsContact O-CD2 3.32Å; V287-Y291 WeakPolarHBondContact O-CD2 3.28Å; V287-Y291 PolarHBondContact O-N 2.82Å
288K96Very high95.8Very high54 Ų5475.7 Ų75.724%0.23539%0.39CS..Hα-helixtrans-64.2-38.4176.5-73.6167.3169.9149.70112.6W280 D281 A283 P284 A285 E286 G292W280-K288 HydrophobicContact CH2-CB 4.09Å; W280-K288 HydrophobicContact CH2-CG 3.97Å; W280-K288 HydrophobicContact CZ2-CB 4.4Å; W280-K288 HydrophobicContact CZ2-CD 4.47Å; W280-K288 HydrophobicContact CZ2-CG 4.11Å; W280-K288 HydrophobicContact CZ3-CG 4.2Å; W280-K288 WeakPolarHBondContact O-CE 3.29Å; W280-K288 PolarHBondContact O-NZ 2.79Å; D281-K288 PolarHBondContact O-NZ 3.25Å; A283-K288 HydrophobicContact CB-CG 4.15Å; A283-K288 VanDerWaalsContact O-CE 3.25Å; A283-K288 WeakPolarHBondContact O-CE 3.29Å; A283-K288 PolarHBondContact O-NZ 3.27Å; P284-K288 WeakPolarHBondContact O-CG 3.49Å; P284-K288 PolarHBondContact O-N 3.21Å; P284-K288 VanDerWaalsContact O-N 3.07Å; A285-K288 WeakPolarHBondContact O-CB 3.43Å; A285-K288 PolarHBondContact O-N 3.17Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 2.91Å; K288-G292 WeakPolarHBondContact O-CA 3.27Å; K288-G292 PolarHBondContact O-N 3.43Å
289E96.8Very high95.7Very high162 Ų16274.7 Ų74.776%0.75739%0.385SS*.Hα-helixtrans-71.1-49.5179.5-174.1171.5-175.800111.2A285 E286 V287A285-E289 WeakPolarHBondContact O-CB 3.22Å; A285-E289 PolarHBondContact O-N 3.03Å; E286-E289 PolarHBondContact O-N 3.4Å; E286-E289 VanDerWaalsContact O-N 3.16Å; V287-E289 VanDerWaalsContact C-N 3.34Å; V287-E289 PolarHBondContact O-N 2.92Å
290D97.3Very high95.6Very high131 Ų13174.5 Ų74.570%0.70138%0.384SS*.Hα-helixtrans-67.1-44.7-176.6-74.8-16.7000112.6E286E286-D290 WeakPolarHBondContact O-CB 3.19Å; E286-D290 PolarHBondContact O-N 3.34Å
291Y95.9Very high95.4Very high79 Ų7974.5 Ų74.531%0.3140%0.395SS..Hα-helixtrans-83-36.5-178.7-73.6-112.6000111.4E173 F174 V287 H295E173-Y291 WeakPolarHBondContact OE2-CE2 3.45Å; E173-Y291 PolarHBondContact OE2-OH 2.88Å; F174-Y291 AromaticContact CE2-CD1 3.78Å; F174-Y291 HydrophobicContact CE2-CD1 3.78Å; F174-Y291 HydrophobicContact CE2-CD2 4.39Å; F174-Y291 HydrophobicContact CE2-CE1 4.36Å; F174-Y291 AromaticContact CE2-CG 3.81Å; F174-Y291 HydrophobicContact CE2-CG 3.81Å; F174-Y291 HydrophobicContact CZ-CG 4.28Å; V287-Y291 HydrophobicContact CG1-CD2 3.99Å; V287-Y291 HydrophobicContact CG1-CE2 4.3Å; V287-Y291 VanDerWaalsContact O-CB 3.31Å; V287-Y291 WeakPolarHBondContact O-CB 3.47Å; V287-Y291 VanDerWaalsContact O-CD2 3.32Å; V287-Y291 WeakPolarHBondContact O-CD2 3.28Å; V287-Y291 PolarHBondContact O-N 2.82Å; Y291-H295 AromaticContact CD1-CD2 3.66Å; Y291-H295 AromaticContact CD1-NE2 3.43Å; Y291-H295 WeakPolarHBondContact CD1-NE2 3.22Å; Y291-H295 AromaticContact CE1-NE2 3.99Å; Y291-H295 WeakPolarHBondContact O-CB 3.49Å
292G96.1Very high95.2Very high24 Ų2472.3 Ų72.325%0.24738%0.382CS..Hα-helixtrans73.5154-176.500000114K288 S294 H295 F296K288-G292 WeakPolarHBondContact O-CA 3.27Å; K288-G292 PolarHBondContact O-N 3.43Å; G292-S294 VanDerWaalsContact C-N 3.29Å; G292-S294 PolarHBondContact O-N 2.91Å; G292-H295 PolarHBondContact O-N 2.97Å; G292-F296 PolarHBondContact O-N 3.35Å
293K94.5Very high95.1Very high124 Ų12467 Ų6754%0.53936%0.358SS..Hα-helixtrans-64.3-32.4-177.2-169.7169.4-176.9173.80113.4W280 F296 E297W280-K293 VanDerWaalsContact CH2-CA 3.46Å; W280-K293 HydrophobicContact CH2-CB 3.64Å; W280-K293 HydrophobicContact CH2-CG 4.07Å; W280-K293 HydrophobicContact CZ2-CB 3.87Å; W280-K293 HydrophobicContact CZ2-CD 4.19Å; W280-K293 HydrophobicContact CZ2-CG 3.98Å; W280-K293 HydrophobicContact CZ3-CB 4.35Å; K293-F296 PolarHBondContact O-N 2.94Å; K293-E297 HydrophobicContact CG-CG 4.33Å; K293-E297 WeakPolarHBondContact O-CB 3.29Å; K293-E297 WeakPolarHBondContact O-CG 3.48Å; K293-E297 PolarHBondContact O-N 3.14Å
294S96.1Very high95Very high103 Ų10370.6 Ų70.672%0.7237%0.37SS*.Hα-helixtrans-67.8-40.4-178.4-1710000112.4G292 Q298G292-S294 VanDerWaalsContact C-N 3.29Å; G292-S294 PolarHBondContact O-N 2.91Å; S294-Q298 PolarHBondContact O-N 3.31Å; S294-Q298 VanDerWaalsContact O-N 3.11Å
295H94.9Very high94.7Very high55 Ų5571.1 Ų71.126%0.25538%0.375SS..Hα-helixtrans-61.3-48.8174.4174.9100.6000110.7E171 Y291 G292 E297 Q298 Y299E171-H295 IonicContact OE1-CE1 2.72Å; E171-H295 IonicContact OE1-NE2 2.79Å; E171-H295 PolarHBondContact OE1-NE2 2.74Å; E171-H295 IonicContact OE2-CD2 3.34Å; E171-H295 PolarHBondContact OE2-CD2 2.97Å; E171-H295 IonicContact OE2-NE2 3.95Å; E171-H295 PolarHBondContact OE2-NE2 3.28Å; Y291-H295 AromaticContact CD1-CD2 3.66Å; Y291-H295 AromaticContact CD1-NE2 3.43Å; Y291-H295 WeakPolarHBondContact CD1-NE2 3.22Å; Y291-H295 AromaticContact CE1-NE2 3.99Å; Y291-H295 WeakPolarHBondContact O-CB 3.49Å; G292-H295 PolarHBondContact O-N 2.97Å; H295-E297 PolarHBondContact O-N 2.98Å; H295-Q298 WeakPolarHBondContact O-CB 3.39Å; H295-Q298 PolarHBondContact O-N 2.87Å; H295-Y299 AromaticContact CD2-CD2 3.88Å; H295-Y299 AromaticContact CE1-CE2 3.43Å; H295-Y299 VanDerWaalsContact CE1-CE2 3.43Å; H295-Y299 WeakPolarHBondContact CE1-CE2 3.34Å; H295-Y299 AromaticContact NE2-CD2 3.59Å; H295-Y299 AromaticContact NE2-CE2 3.35Å; H295-Y299 VanDerWaalsContact NE2-CE2 3.35Å; H295-Y299 WeakPolarHBondContact NE2-CE2 3.39Å; H295-Y299 PolarHBondContact O-N 3.09Å
296F95.5Very high94.4Very high5 Ų571.3 Ų71.32%0.02236%0.36CS..Hα-helixtrans-56.4-50.9177.7-179.8-97.3000111.7F174 A276 L279 W280 G292 K293 Q298 Y299 M300F174-F296 AromaticContact CD1-CD2 3.75Å; F174-F296 HydrophobicContact CD1-CD2 3.75Å; F174-F296 AromaticContact CD1-CE2 3.79Å; F174-F296 HydrophobicContact CD1-CE2 3.79Å; F174-F296 AromaticContact CE1-CD2 3.52Å; F174-F296 HydrophobicContact CE1-CD2 3.52Å; F174-F296 HydrophobicContact CE1-CE2 4.01Å; F174-F296 HydrophobicContact CE1-CG 4.33Å; F174-F296 HydrophobicContact CG-CD2 4.36Å; F174-F296 HydrophobicContact CG-CE2 4.4Å; F174-F296 HydrophobicContact CZ-CB 4.5Å; F174-F296 AromaticContact CZ-CD2 3.93Å; F174-F296 HydrophobicContact CZ-CD2 3.93Å; A276-F296 VanDerWaalsContact O-CZ 3.28Å; A276-F296 WeakPolarHBondContact O-CZ 3.35Å; L279-F296 HydrophobicContact CB-CE2 3.98Å; L279-F296 HydrophobicContact CB-CZ 4.05Å; W280-F296 HydrophobicContact CB-CD1 4.37Å; W280-F296 HydrophobicContact CB-CE1 3.75Å; W280-F296 HydrophobicContact CB-CE2 4.49Å; W280-F296 HydrophobicContact CB-CZ 3.83Å; W280-F296 HydrophobicContact CD2-CD1 4.22Å; W280-F296 HydrophobicContact CD2-CE1 4.47Å; W280-F296 HydrophobicContact CD2-CG 4.5Å; W280-F296 HydrophobicContact CE3-CB 3.8Å; W280-F296 AromaticContact CE3-CD1 3.59Å; W280-F296 HydrophobicContact CE3-CD1 3.59Å; W280-F296 AromaticContact CE3-CD2 3.91Å; W280-F296 HydrophobicContact CE3-CD2 3.91Å; W280-F296 HydrophobicContact CE3-CE1 4.13Å; W280-F296 HydrophobicContact CE3-CE2 4.41Å; W280-F296 AromaticContact CE3-CG 3.47Å; W280-F296 HydrophobicContact CE3-CG 3.47Å; W280-F296 VanDerWaalsContact CE3-CG 3.47Å; W280-F296 HydrophobicContact CG-CE1 4.36Å; W280-F296 HydrophobicContact CZ3-CB 3.68Å; W280-F296 HydrophobicContact CZ3-CD1 4.31Å; W280-F296 HydrophobicContact CZ3-CD2 4.47Å; W280-F296 AromaticContact CZ3-CG 3.91Å; W280-F296 HydrophobicContact CZ3-CG 3.91Å; G292-F296 PolarHBondContact O-N 3.35Å; K293-F296 PolarHBondContact O-N 2.94Å; F296-Q298 VanDerWaalsContact C-N 3.29Å; F296-Q298 PolarHBondContact O-N 3.25Å; F296-Y299 PolarHBondContact O-N 3.2Å; F296-Y299 VanDerWaalsContact O-N 3.16Å; F296-M300 HydrophobicContact CD1-CG 3.78Å; F296-M300 HydrophobicContact CD2-CE 4.39Å; F296-M300 HydrophobicContact CE1-CG 3.34Å; F296-M300 HydrophobicContact CE1-SD 4.01Å; F296-M300 HydrophobicContact CE2-CE 3.92Å; F296-M300 HydrophobicContact CE2-CG 4.21Å; F296-M300 HydrophobicContact CE2-SD 4.06Å; F296-M300 HydrophobicContact CG-CG 4.36Å; F296-M300 HydrophobicContact CZ-CE 4.08Å; F296-M300 HydrophobicContact CZ-CG 3.58Å; F296-M300 HydrophobicContact CZ-SD 3.58Å; F296-M300 VanDerWaalsContact CZ-SD 3.58Å; F296-M300 WeakPolarHBondContact O-CG 3.5Å; F296-M300 PolarHBondContact O-N 2.73Å
297E94.8Very high94Very high74 Ų7465.4 Ų65.435%0.34633%0.333SS..Hα-helixtrans-63.7-31.3-179.2-76.3-63.4168.200113.7K293 H295 M300 A301 R304K293-E297 HydrophobicContact CG-CG 4.33Å; K293-E297 WeakPolarHBondContact O-CB 3.29Å; K293-E297 WeakPolarHBondContact O-CG 3.48Å; K293-E297 PolarHBondContact O-N 3.14Å; H295-E297 PolarHBondContact O-N 2.98Å; E297-M300 PolarHBondContact O-N 3.46Å; E297-A301 WeakPolarHBondContact O-CB 3.45Å; E297-A301 PolarHBondContact O-N 2.81Å; E297-R304 PolarHBondContact O-NH2 3.39Å; E297-R304 IonicContact OE2-CZ 3.76Å; E297-R304 IonicContact OE2-NH1 3.55Å; E297-R304 IonicContact OE2-NH2 2.96Å; E297-R304 PolarHBondContact OE2-NH2 3.32Å
298Q94.8Very high93.6Very high138 Ų13870.6 Ų70.665%0.64536%0.361SS*.Hα-helixtrans-62-46.5174.2-174.5179.89.500111S294 H295 F296 A301 L302S294-Q298 PolarHBondContact O-N 3.31Å; S294-Q298 VanDerWaalsContact O-N 3.11Å; H295-Q298 WeakPolarHBondContact O-CB 3.39Å; H295-Q298 PolarHBondContact O-N 2.87Å; F296-Q298 VanDerWaalsContact C-N 3.29Å; F296-Q298 PolarHBondContact O-N 3.25Å; Q298-A301 WeakPolarHBondContact O-CB 3.47Å; Q298-A301 PolarHBondContact O-N 3.05Å; Q298-L302 PolarHBondContact O-N 3.4Å; Q298-L302 VanDerWaalsContact O-N 3.11Å
299Y92.5Very high93.3Very high50 Ų5069.4 Ų69.420%0.19636%0.359CS..Hα-helixtrans-70-34.5176.6-78.8-63.4000112.7L223 H295 F296 A301 L302 M303L223-Y299 HydrophobicContact CD1-CD1 3.75Å; L223-Y299 HydrophobicContact CD1-CG 4.24Å; L223-Y299 HydrophobicContact CD2-CD1 4.21Å; L223-Y299 HydrophobicContact CD2-CG 4.2Å; L223-Y299 HydrophobicContact CG-CD1 4.26Å; H295-Y299 AromaticContact CD2-CD2 3.88Å; H295-Y299 AromaticContact CE1-CE2 3.43Å; H295-Y299 VanDerWaalsContact CE1-CE2 3.43Å; H295-Y299 WeakPolarHBondContact CE1-CE2 3.34Å; H295-Y299 AromaticContact NE2-CD2 3.59Å; H295-Y299 AromaticContact NE2-CE2 3.35Å; H295-Y299 VanDerWaalsContact NE2-CE2 3.35Å; H295-Y299 WeakPolarHBondContact NE2-CE2 3.39Å; H295-Y299 PolarHBondContact O-N 3.09Å; F296-Y299 PolarHBondContact O-N 3.2Å; F296-Y299 VanDerWaalsContact O-N 3.16Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.28Å; Y299-L302 HydrophobicContact CD1-CD2 4.39Å; Y299-L302 WeakPolarHBondContact O-CB 3.42Å; Y299-L302 PolarHBondContact O-N 2.72Å; Y299-M303 WeakPolarHBondContact O-CG 3.45Å; Y299-M303 PolarHBondContact O-N 3.08Å
300M93.9Very high93.1Very high4 Ų463 Ų632%0.0234%0.337CS..Hα-helixtrans-65.4-36.1173.1-63.6-5399.500111.6F169 A276 F296 E297 M303 R304F169-M300 HydrophobicContact CD2-CE 4.18Å; F169-M300 HydrophobicContact CD2-SD 4.46Å; F169-M300 HydrophobicContact CE2-CE 3.89Å; F169-M300 HydrophobicContact CE2-SD 3.6Å; F169-M300 VanDerWaalsContact CE2-SD 3.6Å; F169-M300 HydrophobicContact CZ-SD 4.44Å; A276-M300 HydrophobicContact CB-CB 4.49Å; A276-M300 HydrophobicContact CB-CG 3.91Å; A276-M300 HydrophobicContact CB-SD 3.38Å; A276-M300 WeakPolarHBondContact CB-SD 3.48Å; F296-M300 HydrophobicContact CD1-CG 3.78Å; F296-M300 HydrophobicContact CD2-CE 4.39Å; F296-M300 HydrophobicContact CE1-CG 3.34Å; F296-M300 HydrophobicContact CE1-SD 4.01Å; F296-M300 HydrophobicContact CE2-CE 3.92Å; F296-M300 HydrophobicContact CE2-CG 4.21Å; F296-M300 HydrophobicContact CE2-SD 4.06Å; F296-M300 HydrophobicContact CG-CG 4.36Å; F296-M300 HydrophobicContact CZ-CE 4.08Å; F296-M300 HydrophobicContact CZ-CG 3.58Å; F296-M300 HydrophobicContact CZ-SD 3.58Å; F296-M300 VanDerWaalsContact CZ-SD 3.58Å; F296-M300 WeakPolarHBondContact O-CG 3.5Å; F296-M300 PolarHBondContact O-N 2.73Å; E297-M300 PolarHBondContact O-N 3.46Å; M300-M303 PolarHBondContact O-N 3.47Å; M300-R304 WeakPolarHBondContact O-CB 3.27Å; M300-R304 VanDerWaalsContact O-CG 3.29Å; M300-R304 WeakPolarHBondContact O-CG 3.42Å; M300-R304 PolarHBondContact O-N 3.46Å; M300-R304 PolarHBondContact O-NE 3.23Å
301A92.8Very high93Very high49 Ų4960.1 Ų60.141%0.40532%0.319SS..Hα-helixtrans-63.1-42.6173.500000111.8E297 Q298 Y299 M303 R304 S305E297-A301 WeakPolarHBondContact O-CB 3.45Å; E297-A301 PolarHBondContact O-N 2.81Å; Q298-A301 WeakPolarHBondContact O-CB 3.47Å; Q298-A301 PolarHBondContact O-N 3.05Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.28Å; A301-M303 PolarHBondContact O-N 3.36Å; A301-R304 PolarHBondContact O-N 2.93Å; A301-S305 PolarHBondContact O-N 3.2Å; A301-S305 VanDerWaalsContact O-N 3.08Å
302L91.1Very high93Very high69 Ų6964.3 Ų64.336%0.36134%0.339SS..Hα-helixtrans-59-46.9172.7179.762.9000111.2Q298 Y299 R304 S305 Y306Q298-L302 PolarHBondContact O-N 3.4Å; Q298-L302 VanDerWaalsContact O-N 3.11Å; Y299-L302 HydrophobicContact CD1-CD2 4.39Å; Y299-L302 WeakPolarHBondContact O-CB 3.42Å; Y299-L302 PolarHBondContact O-N 2.72Å; L302-R304 PolarHBondContact O-N 3.31Å; L302-S305 WeakPolarHBondContact O-CB 3.38Å; L302-S305 PolarHBondContact O-N 2.94Å; L302-S305 VanDerWaalsContact O-N 3.08Å; L302-S305 PolarHBondContact O-OG 3.3Å; L302-Y306 HydrophobicContact CD1-CE2 4.17Å; L302-Y306 HydrophobicContact CD2-CE2 4.41Å; L302-Y306 HydrophobicContact CG-CE2 3.89Å; L302-Y306 PolarHBondContact O-N 3.22Å
303M92.8Very high93Very high2 Ų267.3 Ų67.31%0.0135%0.349CS..Hα-helixtrans-62.1-40.7178.4-73.3-56.7-47.200113.2F169 L223 R224 V272 Y299 M300 A301 S305 Y306F169-M303 HydrophobicContact CB-CE 3.56Å; F169-M303 HydrophobicContact CB-CG 4.5Å; F169-M303 HydrophobicContact CB-SD 3.96Å; F169-M303 HydrophobicContact CD1-CE 3.47Å; F169-M303 VanDerWaalsContact CD1-CE 3.47Å; F169-M303 HydrophobicContact CD2-CB 4.24Å; F169-M303 HydrophobicContact CD2-CE 3.98Å; F169-M303 HydrophobicContact CD2-CG 3.61Å; F169-M303 HydrophobicContact CD2-SD 4.19Å; F169-M303 HydrophobicContact CE1-CE 4.16Å; F169-M303 HydrophobicContact CE2-CB 4.13Å; F169-M303 HydrophobicContact CE2-CG 3.97Å; F169-M303 HydrophobicContact CG-CE 3.36Å; F169-M303 HydrophobicContact CG-CG 4.01Å; F169-M303 HydrophobicContact CG-SD 4.01Å; F169-M303 HydrophobicContact CZ-CB 4.41Å; L223-M303 HydrophobicContact CB-SD 4.37Å; L223-M303 HydrophobicContact CD1-CG 3.78Å; L223-M303 HydrophobicContact CD1-SD 3.78Å; R224-M303 VanDerWaalsContact NH2-CE 3.25Å; V272-M303 HydrophobicContact CG1-CB 4.2Å; Y299-M303 WeakPolarHBondContact O-CG 3.45Å; Y299-M303 PolarHBondContact O-N 3.08Å; M300-M303 PolarHBondContact O-N 3.47Å; A301-M303 PolarHBondContact O-N 3.36Å; M303-S305 PolarHBondContact O-N 2.83Å; M303-Y306 HydrophobicContact CE-CD2 4.4Å; M303-Y306 PolarHBondContact O-N 2.86Å; M303-Y306 VanDerWaalsContact O-N 3.14Å; M303-Y306 HydrophobicContact SD-CD2 4Å; M303-Y306 HydrophobicContact SD-CE2 4.36Å
304R92.6Very high93.1Very high82 Ų8262.9 Ų62.931%0.30933%0.331SS..Hα-helixtrans-61.5-32.4173.5-73.6179.2-73.7-110.55.5112.3V272 E297 M300 A301 L302 Y306 C307V272-R304 HydrophobicContact CG1-CG 3.78Å; E297-R304 PolarHBondContact O-NH2 3.39Å; E297-R304 IonicContact OE2-CZ 3.76Å; E297-R304 IonicContact OE2-NH1 3.55Å; E297-R304 IonicContact OE2-NH2 2.96Å; E297-R304 PolarHBondContact OE2-NH2 3.32Å; M300-R304 WeakPolarHBondContact O-CB 3.27Å; M300-R304 VanDerWaalsContact O-CG 3.29Å; M300-R304 WeakPolarHBondContact O-CG 3.42Å; M300-R304 PolarHBondContact O-N 3.46Å; M300-R304 PolarHBondContact O-NE 3.23Å; A301-R304 PolarHBondContact O-N 2.93Å; L302-R304 PolarHBondContact O-N 3.31Å; R304-Y306 VanDerWaalsContact C-N 3.29Å; R304-Y306 PolarHBondContact O-N 2.95Å; R304-C307 PolarHBondContact O-N 3.12Å
305S90.6Very high93.2Very high70 Ų7061 Ų6149%0.4932%0.315SS..Hα-helixtrans-67.8-29176.682.90000112.6A301 L302 M303 C307A301-S305 PolarHBondContact O-N 3.2Å; A301-S305 VanDerWaalsContact O-N 3.08Å; L302-S305 WeakPolarHBondContact O-CB 3.38Å; L302-S305 PolarHBondContact O-N 2.94Å; L302-S305 VanDerWaalsContact O-N 3.08Å; L302-S305 PolarHBondContact O-OG 3.3Å; M303-S305 PolarHBondContact O-N 2.83Å; S305-C307 PolarHBondContact O-N 3.25Å
306Y88.9Confident93.3Very high81 Ų8161 Ų6132%0.31832%0.32SS..Hα-helixtrans-75.2-18.5-180-68.3-42.1000114.6I261 L302 M303 R304 N308 S309I261-Y306 WeakPolarHBondContact CG2-O 3.04Å; L302-Y306 HydrophobicContact CD1-CE2 4.17Å; L302-Y306 HydrophobicContact CD2-CE2 4.41Å; L302-Y306 HydrophobicContact CG-CE2 3.89Å; L302-Y306 PolarHBondContact O-N 3.22Å; M303-Y306 HydrophobicContact CE-CD2 4.4Å; M303-Y306 PolarHBondContact O-N 2.86Å; M303-Y306 VanDerWaalsContact O-N 3.14Å; M303-Y306 HydrophobicContact SD-CD2 4Å; M303-Y306 HydrophobicContact SD-CE2 4.36Å; R304-Y306 VanDerWaalsContact C-N 3.29Å; R304-Y306 PolarHBondContact O-N 2.95Å; Y306-N308 PolarHBondContact O-N 3.1Å; Y306-S309 WeakPolarHBondContact CA-OG 3.17Å; Y306-S309 WeakPolarHBondContact O-CB 3.39Å; Y306-S309 PolarHBondContact O-N 3.2Å; Y306-S309 PolarHBondContact O-OG 3.08Å
307C88.7Confident93.4Very high10 Ų1060.8 Ų60.87%0.06832%0.319CS..THydrogen-bonded Turntrans-55.3-28.2-179.8-64.30000113.6L267 R269 V272 R304 S305L267-C307 PolarHBondContact O-SG 3.38Å; R269-C307 HydrophobicContact CG-CB 3.95Å; V272-C307 WeakPolarHBondContact CG2-SG 3.27Å; R304-C307 PolarHBondContact O-N 3.12Å; S305-C307 PolarHBondContact O-N 3.25Å
308N88.8Confident93.6Very high117 Ų11758.1 Ų58.163%0.62631%0.307SS*.THydrogen-bonded Turntrans-106.910.9-179.5-63-32.7000112.9Y306Y306-N308 PolarHBondContact O-N 3.1Å
309S90.6Very high93.7Very high29 Ų2955.4 Ų55.420%0.20330%0.297CS..  trans-98.2164.5-177.175.80000112.2N259 V262 Y306N259-S309 PolarHBondContact ND2-OG 2.62Å; V262-S309 PolarHBondContact N-O 2.78Å; Y306-S309 WeakPolarHBondContact CA-OG 3.17Å; Y306-S309 WeakPolarHBondContact O-CB 3.39Å; Y306-S309 PolarHBondContact O-N 3.2Å; Y306-S309 PolarHBondContact O-OG 3.08Å
310G92.2Very high94Very high28 Ų2855 Ų5529%0.28930%0.298SS..SBendtrans96.9177.3176.500000113.4N259 V262N259-G310 VanDerWaalsContact CG-CA 3.45Å; N259-G310 WeakPolarHBondContact ND2-CA 3.48Å; N259-G310 PolarHBondContact ND2-N 3.21Å; N259-G310 CarbonylContact O-C 3.53Å; N259-G310 WeakPolarHBondContact O-CA 3.36Å; V262-G310 VanDerWaalsContact CG1-O 3.27Å; V262-G310 WeakPolarHBondContact CG1-O 3.28Å
311E95Very high94.2Very high69 Ų6954.8 Ų54.832%0.32230%0.297SS..  trans-69.6140-179.5-69.3-63.5168.700111.1N259 Y260 V262 A263 E338N259-E311 PolarHBondContact O-N 3.41Å; Y260-E311 HydrophobicContact CD1-CB 3.64Å; Y260-E311 HydrophobicContact CE1-CB 3.45Å; Y260-E311 VanDerWaalsContact CE1-CB 3.45Å; Y260-E311 HydrophobicContact CE1-CG 4.18Å; Y260-E311 HydrophobicContact CG-CB 4.35Å; V262-E311 VanDerWaalsContact CG1-O 3.29Å; V262-E311 WeakPolarHBondContact CG1-O 3.41Å; A263-E311 VanDerWaalsContact CB-O 3.22Å; A263-E311 WeakPolarHBondContact CB-O 3.26Å; E311-E338 HydrophobicContact CG-CG 4.28Å; E311-E338 WeakPolarHBondContact OE1-CG 3.34Å
312K95.1Very high94.4Very high168 Ų16853.1 Ų53.173%0.7328%0.284SS*.SBendtrans-93-30.7175.8-66.7-178.8-179-178.60112.2V262V262-K312 HydrophobicContact CG1-CG 3.71Å; V262-K312 HydrophobicContact CG2-CG 4.44Å
313D96.3Very high94.7Very high87 Ų8752 Ų5247%0.46528%0.278SS..  trans-88113.8-178.6-179.416.6000110.2Y260 T315Y260-D313 WeakPolarHBondContact CE1-O 3.46Å; D313-T315 VanDerWaalsContact C-N 3.3Å; D313-T315 WeakPolarHBondContact OD1-CB 3.2Å; D313-T315 PolarHBondContact OD1-N 3.43Å; D313-T315 PolarHBondContact OD1-OG1 3.37Å
314M96.9Very high95Very high30 Ų3051.9 Ų51.915%0.14828%0.278CS..  trans-82.1-8.4177.6-62.6-170.1-80.200113.1F86 S89 A263 T264 P316 V317 L318F86-M314 HydrophobicContact CD1-CB 4.1Å; F86-M314 HydrophobicContact CD1-CG 3.94Å; F86-M314 HydrophobicContact CD1-SD 3.5Å; F86-M314 VanDerWaalsContact CD1-SD 3.5Å; F86-M314 HydrophobicContact CE1-CB 4.01Å; F86-M314 HydrophobicContact CE1-CG 3.71Å; F86-M314 HydrophobicContact CE1-SD 3.78Å; F86-M314 HydrophobicContact CG-SD 4.49Å; S89-M314 WeakPolarHBondContact OG-CE 3.29Å; A263-M314 HydrophobicContact CB-CG 3.58Å; A263-M314 HydrophobicContact CB-SD 4.06Å; T264-M314 HydrophobicContact CG2-SD 4.26Å; M314-P316 VanDerWaalsContact C-CD 3.46Å; M314-P316 VanDerWaalsContact C-N 3.34Å; M314-V317 WeakPolarHBondContact O-CB 3.33Å; M314-V317 PolarHBondContact O-N 3.5Å; M314-L318 HydrophobicContact CB-CD1 4.42Å; M314-L318 HydrophobicContact CB-CG 4.35Å; M314-L318 WeakPolarHBondContact O-CG 3.25Å; M314-L318 PolarHBondContact O-N 3.05Å
315T97.4Very high95.3Very high64 Ų6448 Ų4839%0.39326%0.263SS..Hα-helixtrans-50-45.6-174.6-54.60000113.2D313 V317 L318 D319D313-T315 VanDerWaalsContact C-N 3.3Å; D313-T315 WeakPolarHBondContact OD1-CB 3.2Å; D313-T315 PolarHBondContact OD1-N 3.43Å; D313-T315 PolarHBondContact OD1-OG1 3.37Å; T315-V317 VanDerWaalsContact C-N 3.28Å; T315-V317 PolarHBondContact O-N 3.47Å; T315-L318 PolarHBondContact O-N 2.93Å; T315-L318 VanDerWaalsContact O-N 3.13Å; T315-D319 WeakPolarHBondContact CG2-OD2 3.22Å; T315-D319 WeakPolarHBondContact O-CB 3.48Å; T315-D319 PolarHBondContact O-N 3.14Å
316P97.3Very high95.6Very high55 Ų5545.2 Ų45.236%0.35725%0.245SC..Hα-helixtrans-58.2-37.8178.1-25.635.7000113.8M314 D320 P336M314-P316 VanDerWaalsContact C-CD 3.46Å; M314-P316 VanDerWaalsContact C-N 3.34Å; P316-D320 WeakPolarHBondContact O-CB 2.99Å; P316-D320 PolarHBondContact O-N 3.44Å; P316-D320 VanDerWaalsContact O-N 3.1Å; P316-P336 HydrophobicContact CB-CB 4.2Å
317V98.1Very high95.9Very high0 Ų041.4 Ų41.40%023%0.23CC..Hα-helixtrans-71.5-42.5178.3-177.50000110.5F86 I255 P257 Y260 M314 T315 D320 I321 P336F86-V317 HydrophobicContact CD1-CB 4.18Å; F86-V317 HydrophobicContact CD1-CG1 3.92Å; F86-V317 HydrophobicContact CD2-CG1 4.33Å; F86-V317 HydrophobicContact CE1-CB 3.8Å; F86-V317 HydrophobicContact CE1-CG1 3.81Å; F86-V317 HydrophobicContact CE1-CG2 3.73Å; F86-V317 HydrophobicContact CE2-CG1 4.22Å; F86-V317 HydrophobicContact CG-CG1 4.19Å; F86-V317 HydrophobicContact CZ-CB 4.21Å; F86-V317 HydrophobicContact CZ-CG1 3.97Å; F86-V317 HydrophobicContact CZ-CG2 3.79Å; I255-V317 HydrophobicContact CG2-CG1 4.36Å; P257-V317 HydrophobicContact CB-CG2 4.43Å; P257-V317 HydrophobicContact CG-CG1 4.29Å; Y260-V317 HydrophobicContact CD1-CG2 4.34Å; Y260-V317 HydrophobicContact CD2-CG2 4.25Å; Y260-V317 HydrophobicContact CE1-CG2 3.77Å; Y260-V317 HydrophobicContact CE2-CG2 3.66Å; Y260-V317 VanDerWaalsContact CZ-CG2 3.4Å; M314-V317 WeakPolarHBondContact O-CB 3.33Å; M314-V317 PolarHBondContact O-N 3.5Å; T315-V317 VanDerWaalsContact C-N 3.28Å; T315-V317 PolarHBondContact O-N 3.47Å; V317-D320 PolarHBondContact O-N 3.28Å; V317-I321 HydrophobicContact CG1-CD1 3.91Å; V317-I321 WeakPolarHBondContact O-CD1 3.49Å; V317-I321 VanDerWaalsContact O-CG1 3.24Å; V317-I321 WeakPolarHBondContact O-CG1 3.42Å; V317-I321 PolarHBondContact O-N 3.23Å; V317-P336 HydrophobicContact CB-CG 4.31Å; V317-P336 HydrophobicContact CG1-CG 4.49Å; V317-P336 HydrophobicContact CG2-CB 3.86Å; V317-P336 HydrophobicContact CG2-CG 3.78Å
318L98.5Very high96.2Very high18 Ų1847.1 Ų47.19%0.09425%0.254CS..Hα-helixtrans-65.4-42.6179.5-59.3-177.9000111.4L90 M314 T315 I321 A322L90-L318 HydrophobicContact CB-CD2 3.81Å; L90-L318 HydrophobicContact CD1-CD2 4.21Å; M314-L318 HydrophobicContact CB-CD1 4.42Å; M314-L318 HydrophobicContact CB-CG 4.35Å; M314-L318 WeakPolarHBondContact O-CG 3.25Å; M314-L318 PolarHBondContact O-N 3.05Å; T315-L318 PolarHBondContact O-N 2.93Å; T315-L318 VanDerWaalsContact O-N 3.13Å; L318-I321 PolarHBondContact O-N 2.98Å; L318-A322 VanDerWaalsContact O-CB 3.31Å; L318-A322 WeakPolarHBondContact O-CB 3.38Å; L318-A322 PolarHBondContact O-N 3.03Å
319D97.6Very high96.5Very high81 Ų8149.9 Ų49.943%0.43326%0.256SS..Hα-helixtrans-64.3-42.7177.4-74.9-10.4000111.5T315 I321 A322 D323T315-D319 WeakPolarHBondContact CG2-OD2 3.22Å; T315-D319 WeakPolarHBondContact O-CB 3.48Å; T315-D319 PolarHBondContact O-N 3.14Å; D319-I321 PolarHBondContact O-N 3.46Å; D319-A322 PolarHBondContact O-N 3.36Å; D319-D323 WeakPolarHBondContact O-CB 3.25Å; D319-D323 PolarHBondContact O-N 2.85Å
320D98Very high96.7Very high41 Ų4149.5 Ų49.522%0.21925%0.253CS..Hα-helixtrans-63.6-40.6176.2-83.2-9.9000111.9I255 P316 V317 A324 Y334 P336I255-D320 HydrophobicContact CD1-CB 4.48Å; P316-D320 WeakPolarHBondContact O-CB 2.99Å; P316-D320 PolarHBondContact O-N 3.44Å; P316-D320 VanDerWaalsContact O-N 3.1Å; V317-D320 PolarHBondContact O-N 3.28Å; D320-A324 WeakPolarHBondContact O-CB 3.46Å; D320-A324 PolarHBondContact O-N 2.9Å; D320-Y334 HydrophobicContact CB-CD1 3.7Å; D320-Y334 HydrophobicContact CB-CG 4.06Å; D320-P336 WeakPolarHBondContact OD2-CB 3.49Å; D320-P336 WeakPolarHBondContact OD2-CD 3.36Å
321I98.6Very high96.8Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-66.2-45.2174.2-65.1161.7000110.6L90 V161 V210 I212 I255 V317 L318 D319 D323 A324 I325L90-I321 HydrophobicContact CD1-CB 4Å; L90-I321 HydrophobicContact CD1-CD1 4.44Å; L90-I321 HydrophobicContact CD1-CG2 3.67Å; L90-I321 HydrophobicContact CD2-CB 4.47Å; L90-I321 HydrophobicContact CD2-CD1 4.14Å; L90-I321 HydrophobicContact CD2-CG2 3.6Å; L90-I321 HydrophobicContact CG-CG2 4.28Å; V161-I321 HydrophobicContact CG1-CG2 4.16Å; V161-I321 HydrophobicContact CG2-CG2 4.13Å; V210-I321 HydrophobicContact CG1-CG2 4.33Å; I212-I321 HydrophobicContact CD1-CD1 3.7Å; I212-I321 HydrophobicContact CD1-CG1 3.95Å; I255-I321 HydrophobicContact CD1-CG1 4.22Å; I255-I321 HydrophobicContact CG1-CG1 3.81Å; V317-I321 HydrophobicContact CG1-CD1 3.91Å; V317-I321 WeakPolarHBondContact O-CD1 3.49Å; V317-I321 VanDerWaalsContact O-CG1 3.24Å; V317-I321 WeakPolarHBondContact O-CG1 3.42Å; V317-I321 PolarHBondContact O-N 3.23Å; L318-I321 PolarHBondContact O-N 2.98Å; D319-I321 PolarHBondContact O-N 3.46Å; I321-D323 VanDerWaalsContact C-N 3.31Å; I321-D323 PolarHBondContact O-N 3.02Å; I321-A324 WeakPolarHBondContact O-CB 3.41Å; I321-A324 PolarHBondContact O-N 2.73Å; I321-I325 HydrophobicContact CG2-CD1 3.82Å; I321-I325 HydrophobicContact CG2-CG1 4.48Å; I321-I325 VanDerWaalsContact O-CG1 3.28Å; I321-I325 WeakPolarHBondContact O-CG1 3.37Å; I321-I325 PolarHBondContact O-N 3.32Å
322A98.2Very high96.9Very high15 Ų1551.5 Ų51.512%0.12426%0.256CS..Hα-helixtrans-61.9-39.5178.400000111.6L94 L97 L318 D319 I325 G326L94-A322 HydrophobicContact CD2-CB 4.31Å; L97-A322 HydrophobicContact CD1-CB 4.14Å; L318-A322 VanDerWaalsContact O-CB 3.31Å; L318-A322 WeakPolarHBondContact O-CB 3.38Å; L318-A322 PolarHBondContact O-N 3.03Å; D319-A322 PolarHBondContact O-N 3.36Å; A322-I325 PolarHBondContact O-N 3.5Å; A322-G326 PolarHBondContact O-N 3.46Å
323D97.4Very high97Very high45 Ų4546.6 Ų46.624%0.24123%0.233CC..Hα-helixtrans-66.6-42.4173.2-179.681.1000111.9R67 D319 I321 I325 G326 S327 Y334R67-D323 IonicContact CZ-OD1 3.55Å; R67-D323 IonicContact CZ-OD2 2.78Å; R67-D323 IonicContact NH1-OD1 2.7Å; R67-D323 IonicContact NH1-OD2 2.66Å; R67-D323 PolarHBondContact NH1-OD2 2.9Å; R67-D323 IonicContact NH2-OD1 2.75Å; R67-D323 PolarHBondContact NH2-OD1 2.69Å; R67-D323 IonicContact NH2-OD2 3.42Å; R67-D323 PolarHBondContact NH2-OD2 2.94Å; D319-D323 WeakPolarHBondContact O-CB 3.25Å; D319-D323 PolarHBondContact O-N 2.85Å; I321-D323 VanDerWaalsContact C-N 3.31Å; I321-D323 PolarHBondContact O-N 3.02Å; D323-I325 PolarHBondContact O-N 3.24Å; D323-G326 PolarHBondContact O-N 3.34Å; D323-S327 WeakPolarHBondContact O-CA 3.43Å; D323-S327 WeakPolarHBondContact O-CB 3.23Å; D323-S327 PolarHBondContact O-N 3.34Å; D323-Y334 HydrophobicContact CB-CE1 4.19Å; D323-Y334 WeakPolarHBondContact OD2-CE1 3.38Å; D323-Y334 VanDerWaalsContact OD2-CZ 3.27Å; D323-Y334 PolarHBondContact OD2-OH 2.88Å
324A98.3Very high97Very high0 Ų042.9 Ų42.90%021%0.213CC..Hα-helixtrans-58.5-35.6175.100000112R208 V210 I255 D320 I321 Y334R208-A324 WeakPolarHBondContact CD-O 3.38Å; V210-A324 HydrophobicContact CG1-CB 4.34Å; V210-A324 HydrophobicContact CG2-CB 3.85Å; I255-A324 HydrophobicContact CD1-CB 4.39Å; D320-A324 WeakPolarHBondContact O-CB 3.46Å; D320-A324 PolarHBondContact O-N 2.9Å; I321-A324 WeakPolarHBondContact O-CB 3.41Å; I321-A324 PolarHBondContact O-N 2.73Å; A324-Y334 HydrophobicContact CB-CD2 4.41Å; A324-Y334 HydrophobicContact CB-CE2 3.74Å
325I98.3Very high96.9Very high0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-76.8-45.4177-65.3166.4000111.7V77 L94 Y99 W158 A159 V161 V210 I321 A322 D323V77-I325 HydrophobicContact CG1-CD1 4.25Å; V77-I325 HydrophobicContact CG2-CG2 4.29Å; L94-I325 HydrophobicContact CD1-CD1 3.55Å; L94-I325 HydrophobicContact CD2-CD1 4.13Å; L94-I325 HydrophobicContact CG-CD1 4.5Å; Y99-I325 HydrophobicContact CE1-CG2 3.87Å; W158-I325 PolarHBondContact NE1-O 3.48Å; W158-I325 VanDerWaalsContact NE1-O 3.14Å; A159-I325 HydrophobicContact CB-CG1 4.24Å; A159-I325 HydrophobicContact CB-CG2 4.2Å; V161-I325 HydrophobicContact CG2-CD1 3.81Å; V161-I325 HydrophobicContact CG2-CG1 4.5Å; V210-I325 HydrophobicContact CG2-CG1 4.07Å; I321-I325 HydrophobicContact CG2-CD1 3.82Å; I321-I325 HydrophobicContact CG2-CG1 4.48Å; I321-I325 VanDerWaalsContact O-CG1 3.28Å; I321-I325 WeakPolarHBondContact O-CG1 3.37Å; I321-I325 PolarHBondContact O-N 3.32Å; A322-I325 PolarHBondContact O-N 3.5Å; D323-I325 PolarHBondContact O-N 3.24Å
326G96.9Very high96.8Very high11 Ų1140.4 Ų40.411%0.11320%0.201CC..Hα-helixtrans-92.7-20.4-166.700000115.1S69 V70 A322 D323S69-G326 CarbonylContact C-O 3.57Å; S69-G326 VanDerWaalsContact CA-O 3.27Å; S69-G326 WeakPolarHBondContact CA-O 3.42Å; V70-G326 WeakPolarHBondContact CG2-O 3.26Å; V70-G326 PolarHBondContact N-O 2.9Å; A322-G326 PolarHBondContact O-N 3.46Å; D323-G326 PolarHBondContact O-N 3.34Å
327S96.3Very high96.7Very high2 Ų239 Ų391%0.01419%0.19CC..BIsolated β-bridgetrans-74.3143.3-176.5-174.80000112.1R67 G68 R208 D323 R329R67-S327 WeakPolarHBondContact CB-OG 2.96Å; G68-S327 CarbonylContact O-C 3.58Å; G68-S327 WeakPolarHBondContact O-CA 3.14Å; R208-S327 PolarHBondContact NH2-O 2.75Å; D323-S327 WeakPolarHBondContact O-CA 3.43Å; D323-S327 WeakPolarHBondContact O-CB 3.23Å; D323-S327 PolarHBondContact O-N 3.34Å; S327-R329 VanDerWaalsContact OG-C 3.25Å; S327-R329 PolarHBondContact OG-N 3.16Å; S327-R329 PolarHBondContact OG-O 3.32Å
328K95.4Very high96.4Very high129 Ų12941.9 Ų41.956%0.56120%0.203SC*.SBendtrans-70-28.7169.1-61.1-176.8-177.3-177.60110.9R67 G68 S69 V70R67-K328 WeakPolarHBondContact O-CB 3.41Å; G68-K328 PolarHBondContact O-N 3.27Å; S69-K328 WeakPolarHBondContact O-CE 3.43Å; V70-K328 HydrophobicContact CG1-CG 4.11Å
329R93.3Very high96Very high175 Ų17545.8 Ų45.866%0.6623%0.23SC*.SBendtrans-132.169.5-179.5-70-177-93.6-171.1-5.2109.4R67 S327R67-R329 HydrophobicContact CB-CB 4.13Å; R67-R329 VanDerWaalsContact CD-O 3.28Å; R67-R329 WeakPolarHBondContact CD-O 3.35Å; R67-R329 HydrophobicContact CG-CB 4.35Å; R67-R329 PolarHBondContact NH1-O 3.11Å; S327-R329 VanDerWaalsContact OG-C 3.25Å; S327-R329 PolarHBondContact OG-N 3.16Å; S327-R329 PolarHBondContact OG-O 3.32Å
330P95.8Very high95.7Very high22 Ų2246.6 Ų46.614%0.14323%0.231CC..  trans-65.4154.8178.430.6-35.6000110.7K251 Y334K251-P330 HydrophobicContact CB-CG 3.78Å; K251-P330 HydrophobicContact CG-CG 4.02Å; P330-Y334 WeakPolarHBondContact CA-OH 3.47Å; P330-Y334 WeakPolarHBondContact CB-OH 3.43Å
331Y95Very high95.4Very high74 Ų7446.2 Ų46.229%0.2923%0.226SC..  trans-70.2156.7171.7-58.8-60.6000110.5P63 R67 S253 R333 Y334P63-Y331 VanDerWaalsContact CA-OH 3.27Å; P63-Y331 WeakPolarHBondContact CA-OH 3.36Å; R67-Y331 WeakPolarHBondContact CD-OH 3.02Å; R67-Y331 VanDerWaalsContact CZ-CZ 3.44Å; R67-Y331 VanDerWaalsContact NE-CZ 3.33Å; R67-Y331 PolarHBondContact NE-OH 3.49Å; S253-Y331 WeakPolarHBondContact CB-O 3.28Å; S253-Y331 PolarHBondContact OG-O 2.94Å; Y331-R333 VanDerWaalsContact C-N 3.28Å; Y331-R333 WeakPolarHBondContact CB-O 3.26Å; Y331-Y334 HydrophobicContact CD2-CD1 4Å; Y331-Y334 AromaticContact CD2-CE1 3.51Å; Y331-Y334 HydrophobicContact CD2-CE1 3.51Å; Y331-Y334 HydrophobicContact CD2-CE2 4.38Å; Y331-Y334 AromaticContact CD2-CZ 3.71Å; Y331-Y334 HydrophobicContact CE2-CE1 4.28Å; Y331-Y334 HydrophobicContact CG-CE1 4.42Å; Y331-Y334 PolarHBondContact N-OH 3.29Å; Y331-Y334 WeakPolarHBondContact O-CE2 3.47Å
332T95.9Very high95.2Very high64 Ų6450.9 Ų50.939%0.39324%0.244SC..SBendtrans-72.4-29.217155.30000111.5I254I254-T332 PolarHBondContact N-O 3.47Å
333R96.4Very high94.8Very high66 Ų6654.4 Ų54.425%0.24926%0.26CS..EExtended strand (participates in β ladder)trans-140.1136.6-178.3-75172.7171.785.66110.2E235 D239 I254 E256 Y331E235-R333 IonicContact OE2-CZ 3.6Å; E235-R333 IonicContact OE2-NE 2.56Å; E235-R333 PolarHBondContact OE2-NE 3.5Å; E235-R333 VanDerWaalsContact OE2-NE 3.12Å; E235-R333 IonicContact OE2-NH2 3.52Å; E235-R333 PolarHBondContact OE2-NH2 3.38Å; D239-R333 IonicContact OD1-CZ 3.18Å; D239-R333 IonicContact OD1-NH1 3.42Å; D239-R333 PolarHBondContact OD1-NH1 3.37Å; D239-R333 IonicContact OD1-NH2 2.89Å; D239-R333 IonicContact OD2-CZ 3.73Å; D239-R333 IonicContact OD2-NH1 3.84Å; D239-R333 PolarHBondContact OD2-NH1 2.89Å; D239-R333 IonicContact OD2-NH2 2.74Å; D239-R333 PolarHBondContact OD2-NH2 2.94Å; I254-R333 HydrophobicContact CB-CG 4.19Å; I254-R333 HydrophobicContact CD1-CG 4.32Å; I254-R333 CarbonylContact O-C 3.46Å; I254-R333 VanDerWaalsContact O-CA 3.3Å; I254-R333 WeakPolarHBondContact O-CA 3.29Å; E256-R333 VanDerWaalsContact OE1-CD 3.23Å; E256-R333 WeakPolarHBondContact OE1-CD 3.48Å; E256-R333 IonicContact OE1-NE 2.73Å; E256-R333 PolarHBondContact OE1-NE 2.85Å; Y331-R333 VanDerWaalsContact C-N 3.28Å; Y331-R333 WeakPolarHBondContact CB-O 3.26Å
334Y96.8Very high94.6Very high9 Ų954 Ų544%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-121.3136171.4-64.5-104.8000107.2R67 I254 I255 E256 D320 D323 A324 P330 Y331 P336R67-Y334 PolarHBondContact NH1-OH 3.17Å; I254-Y334 PolarHBondContact O-N 3.06Å; I255-Y334 CarbonylContact C-O 3.44Å; I255-Y334 HydrophobicContact CD1-CD2 3.63Å; I255-Y334 HydrophobicContact CD1-CE2 4.47Å; I255-Y334 HydrophobicContact CD1-CG 3.8Å; E256-Y334 PolarHBondContact N-O 3.27Å; D320-Y334 HydrophobicContact CB-CD1 3.7Å; D320-Y334 HydrophobicContact CB-CG 4.06Å; D323-Y334 HydrophobicContact CB-CE1 4.19Å; D323-Y334 WeakPolarHBondContact OD2-CE1 3.38Å; D323-Y334 VanDerWaalsContact OD2-CZ 3.27Å; D323-Y334 PolarHBondContact OD2-OH 2.88Å; A324-Y334 HydrophobicContact CB-CD2 4.41Å; A324-Y334 HydrophobicContact CB-CE2 3.74Å; P330-Y334 WeakPolarHBondContact CA-OH 3.47Å; P330-Y334 WeakPolarHBondContact CB-OH 3.43Å; Y331-Y334 HydrophobicContact CD2-CD1 4Å; Y331-Y334 AromaticContact CD2-CE1 3.51Å; Y331-Y334 HydrophobicContact CD2-CE1 3.51Å; Y331-Y334 HydrophobicContact CD2-CE2 4.38Å; Y331-Y334 AromaticContact CD2-CZ 3.71Å; Y331-Y334 HydrophobicContact CE2-CE1 4.28Å; Y331-Y334 HydrophobicContact CG-CE1 4.42Å; Y331-Y334 PolarHBondContact N-OH 3.29Å; Y331-Y334 WeakPolarHBondContact O-CE2 3.47Å; Y334-P336 WeakPolarHBondContact O-CD 3.45Å
335S95.8Very high94.4Very high34 Ų3454 Ų5424%0.23826%0.255CS..  trans-126.666.8-173.4-54.50000109.8E256 M337E256-S335 PolarHBondContact OE2-OG 3.39Å; S335-M337 VanDerWaalsContact C-N 3.31Å; S335-M337 PolarHBondContact O-N 3.5Å
336P95.8Very high94.1Very high8 Ų856 Ų565%0.05226%0.264CS..  trans-69.791.8177.428.4-31.8000108.4I255 P257 G258 Y260 P316 V317 D320 Y334I255-P336 HydrophobicContact CG2-CG 3.8Å; P257-P336 WeakPolarHBondContact CA-O 3.4Å; G258-P336 PolarHBondContact N-O 3.39Å; G258-P336 VanDerWaalsContact N-O 3.08Å; Y260-P336 VanDerWaalsContact CE2-O 3.29Å; Y260-P336 WeakPolarHBondContact CE2-O 3.28Å; Y260-P336 PolarHBondContact OH-O 2.97Å; P316-P336 HydrophobicContact CB-CB 4.2Å; V317-P336 HydrophobicContact CB-CG 4.31Å; V317-P336 HydrophobicContact CG1-CG 4.49Å; V317-P336 HydrophobicContact CG2-CB 3.86Å; V317-P336 HydrophobicContact CG2-CG 3.78Å; D320-P336 WeakPolarHBondContact OD2-CB 3.49Å; D320-P336 WeakPolarHBondContact OD2-CD 3.36Å; Y334-P336 WeakPolarHBondContact O-CD 3.45Å
337M94Very high93.9Very high25 Ų2557 Ų5712%0.12327%0.268CS..SBendtrans-154.9158.8-17968-174.365.100110.3M215 E256 S335 W341 W342M215-M337 HydrophobicContact CB-CE 3.71Å; M215-M337 HydrophobicContact CB-SD 4.26Å; E256-M337 HydrophobicContact CB-CE 4.17Å; E256-M337 WeakPolarHBondContact O-CE 3.43Å; S335-M337 VanDerWaalsContact C-N 3.31Å; S335-M337 PolarHBondContact O-N 3.5Å; M337-W341 HydrophobicContact CB-CB 4.23Å; M337-W341 HydrophobicContact CG-CB 4.24Å; M337-W341 HydrophobicContact SD-CB 4.05Å; M337-W342 HydrophobicContact CG-CB 3.87Å; M337-W342 WeakPolarHBondContact SD-CA 3.36Å; M337-W342 HydrophobicContact SD-CB 3.84Å; M337-W342 PolarHBondContact SD-N 3.47Å; M337-W342 VanDerWaalsContact SD-N 3.42Å
338E91.6Very high93.7Very high60 Ų6058.3 Ų58.328%0.2827%0.274SS..  trans-61.1147.7174.3-63173.37400111.3E311 H340 W341 W342E311-E338 HydrophobicContact CG-CG 4.28Å; E311-E338 WeakPolarHBondContact OE1-CG 3.34Å; E338-H340 WeakPolarHBondContact CB-ND1 3.17Å; E338-H340 VanDerWaalsContact CD-CE1 3.42Å; E338-H340 PolarHBondContact O-N 3.29Å; E338-H340 IonicContact OE1-CE1 3.86Å; E338-H340 PolarHBondContact OE1-CE1 3.29Å; E338-H340 VanDerWaalsContact OE1-CE1 3.28Å; E338-H340 IonicContact OE1-ND1 3.45Å; E338-H340 IonicContact OE2-CE1 3.59Å; E338-H340 PolarHBondContact OE2-CE1 2.91Å; E338-W341 WeakPolarHBondContact O-CB 3.44Å; E338-W341 PolarHBondContact O-N 3.08Å; E338-W342 PolarHBondContact O-N 3.35Å; E338-W342 VanDerWaalsContact O-N 3.08Å
339P90.3Very high93.5Very high101 Ų10154.5 Ų54.566%0.65626%0.262SS*.Hα-helixtrans-54.3-34.4-176.9-29.135.3000114.3W342 I343P339-W342 PolarHBondContact O-N 2.79Å; P339-I343 VanDerWaalsContact O-CG1 3.26Å; P339-I343 WeakPolarHBondContact O-CG1 3.32Å; P339-I343 PolarHBondContact O-N 3.31Å
340H91.1Very high93.4Very high98 Ų9852 Ų5245%0.45426%0.257SS..Hα-helixtrans-69.3-36.8179.976.4-89.4000112.5E338 R344E338-H340 WeakPolarHBondContact CB-ND1 3.17Å; E338-H340 VanDerWaalsContact CD-CE1 3.42Å; E338-H340 PolarHBondContact O-N 3.29Å; E338-H340 IonicContact OE1-CE1 3.86Å; E338-H340 PolarHBondContact OE1-CE1 3.29Å; E338-H340 VanDerWaalsContact OE1-CE1 3.28Å; E338-H340 IonicContact OE1-ND1 3.45Å; E338-H340 IonicContact OE2-CE1 3.59Å; E338-H340 PolarHBondContact OE2-CE1 2.91Å; H340-R344 WeakPolarHBondContact O-CB 3.31Å; H340-R344 PolarHBondContact O-N 3.06Å
341W93.3Very high93.1Very high32 Ų3254.5 Ų54.512%0.12127%0.269CS..Hα-helixtrans-66.9-40.5172.5-76.7120.6000111.3M215 M219 M337 E338 R344 M345M215-W341 HydrophobicContact CE-CD2 3.83Å; M215-W341 HydrophobicContact CE-CE3 3.69Å; M215-W341 HydrophobicContact CE-CG 4.43Å; M215-W341 HydrophobicContact CE-CH2 4.27Å; M215-W341 HydrophobicContact CE-CZ2 4.39Å; M215-W341 HydrophobicContact CE-CZ3 3.91Å; M215-W341 HydrophobicContact SD-CB 3.94Å; M215-W341 HydrophobicContact SD-CD2 3.69Å; M215-W341 HydrophobicContact SD-CE3 3.53Å; M215-W341 VanDerWaalsContact SD-CE3 3.53Å; M215-W341 HydrophobicContact SD-CG 3.87Å; M215-W341 HydrophobicContact SD-CZ3 4.28Å; M219-W341 HydrophobicContact CE-CE3 4.01Å; M219-W341 HydrophobicContact CE-CZ3 4.27Å; M337-W341 HydrophobicContact CB-CB 4.23Å; M337-W341 HydrophobicContact CG-CB 4.24Å; M337-W341 HydrophobicContact SD-CB 4.05Å; E338-W341 WeakPolarHBondContact O-CB 3.44Å; E338-W341 PolarHBondContact O-N 3.08Å; W341-R344 PolarHBondContact O-N 3.49Å; W341-M345 WeakPolarHBondContact O-CB 3.25Å; W341-M345 PolarHBondContact O-N 2.97Å
342W92.9Very high93.1Very high98 Ų9855 Ų5537%0.37128%0.281SS..Hα-helixtrans-61.4-49.1175.7-17688.8000111.4M337 E338 P339 R344 M345 Q346M337-W342 HydrophobicContact CG-CB 3.87Å; M337-W342 WeakPolarHBondContact SD-CA 3.36Å; M337-W342 HydrophobicContact SD-CB 3.84Å; M337-W342 PolarHBondContact SD-N 3.47Å; M337-W342 VanDerWaalsContact SD-N 3.42Å; E338-W342 PolarHBondContact O-N 3.35Å; E338-W342 VanDerWaalsContact O-N 3.08Å; P339-W342 PolarHBondContact O-N 2.79Å; W342-R344 PolarHBondContact O-N 3.3Å; W342-M345 PolarHBondContact O-N 3.28Å; W342-Q346 HydrophobicContact CD2-CG 3.97Å; W342-Q346 HydrophobicContact CE3-CG 4.12Å; W342-Q346 HydrophobicContact CH2-CG 3.93Å; W342-Q346 HydrophobicContact CZ2-CG 3.77Å; W342-Q346 HydrophobicContact CZ3-CG 4.1Å; W342-Q346 VanDerWaalsContact O-CG 3.29Å; W342-Q346 WeakPolarHBondContact O-CG 3.31Å; W342-Q346 PolarHBondContact O-N 3.26Å
343I91Very high92.8Very high90 Ų9054 Ų5446%0.46228%0.284SS..Hα-helixtrans-58-48.7177-69.3165.4000110.4P339 M345 Q346 V347P339-I343 VanDerWaalsContact O-CG1 3.26Å; P339-I343 WeakPolarHBondContact O-CG1 3.32Å; P339-I343 PolarHBondContact O-N 3.31Å; I343-M345 VanDerWaalsContact C-N 3.34Å; I343-M345 PolarHBondContact O-N 3.21Å; I343-Q346 PolarHBondContact O-N 3.07Å; I343-V347 HydrophobicContact CG2-CG2 4.27Å; I343-V347 WeakPolarHBondContact O-CG2 3.47Å; I343-V347 PolarHBondContact O-N 3.33Å
344R93.2Very high92.7Very high36 Ų3654.8 Ų54.814%0.13630%0.304CS..Hα-helixtrans-57.7-47.6179176.1173.8-179.3179.13.4111.6M219 H340 W341 W342 Q346 V347 M348 Y360M219-R344 HydrophobicContact SD-CG 3.98Å; H340-R344 WeakPolarHBondContact O-CB 3.31Å; H340-R344 PolarHBondContact O-N 3.06Å; W341-R344 PolarHBondContact O-N 3.49Å; W342-R344 PolarHBondContact O-N 3.3Å; R344-Q346 PolarHBondContact O-N 3.42Å; R344-V347 PolarHBondContact O-N 2.93Å; R344-M348 HydrophobicContact CG-CG 4.25Å; R344-M348 HydrophobicContact CG-SD 3.86Å; R344-M348 WeakPolarHBondContact O-CB 3.08Å; R344-M348 VanDerWaalsContact O-CG 3.3Å; R344-M348 WeakPolarHBondContact O-CG 3.28Å; R344-M348 PolarHBondContact O-N 3.35Å; R344-Y360 WeakPolarHBondContact CA-OH 3.45Å; R344-Y360 HydrophobicContact CB-CE1 4.03Å; R344-Y360 HydrophobicContact CB-CE2 4.36Å; R344-Y360 WeakPolarHBondContact CB-OH 3.5Å; R344-Y360 HydrophobicContact CG-CD1 4.09Å; R344-Y360 HydrophobicContact CG-CD2 4.31Å; R344-Y360 HydrophobicContact CG-CE1 3.64Å; R344-Y360 HydrophobicContact CG-CE2 3.87Å; R344-Y360 HydrophobicContact CG-CG 4.42Å
345M94.3Very high92.4Very high0 Ų058.7 Ų58.70%033%0.325CS..Hα-helixtrans-58.7-47.7177.8178.9-86.8-70.800110.8R218 M219 W341 W342 I343 V347 M348 T349R218-M345 HydrophobicContact CB-CG 4.1Å; R218-M345 HydrophobicContact CB-SD 4.11Å; M219-M345 HydrophobicContact CE-CB 4.33Å; M219-M345 HydrophobicContact CG-CG 4.47Å; M219-M345 VanDerWaalsContact SD-CA 3.6Å; M219-M345 HydrophobicContact SD-CB 3.91Å; M219-M345 HydrophobicContact SD-CG 4.49Å; W341-M345 WeakPolarHBondContact O-CB 3.25Å; W341-M345 PolarHBondContact O-N 2.97Å; W342-M345 PolarHBondContact O-N 3.28Å; I343-M345 VanDerWaalsContact C-N 3.34Å; I343-M345 PolarHBondContact O-N 3.21Å; M345-V347 PolarHBondContact O-N 3.38Å; M345-M348 PolarHBondContact O-N 3.43Å; M345-T349 WeakPolarHBondContact O-CB 3.33Å; M345-T349 PolarHBondContact O-N 3.44Å; M345-T349 PolarHBondContact O-OG1 3.01Å
346Q92.1Very high92.2Very high42 Ų4257.4 Ų57.420%0.19632%0.316CS..Hα-helixtrans-60.8-43.3177.8-63.2-64.3-25.500112.4W342 I343 R344 T349 H350W342-Q346 HydrophobicContact CD2-CG 3.97Å; W342-Q346 HydrophobicContact CE3-CG 4.12Å; W342-Q346 HydrophobicContact CH2-CG 3.93Å; W342-Q346 HydrophobicContact CZ2-CG 3.77Å; W342-Q346 HydrophobicContact CZ3-CG 4.1Å; W342-Q346 VanDerWaalsContact O-CG 3.29Å; W342-Q346 WeakPolarHBondContact O-CG 3.31Å; W342-Q346 PolarHBondContact O-N 3.26Å; I343-Q346 PolarHBondContact O-N 3.07Å; R344-Q346 PolarHBondContact O-N 3.42Å; Q346-T349 PolarHBondContact O-N 3.41Å; Q346-H350 WeakPolarHBondContact O-CB 3.38Å; Q346-H350 PolarHBondContact O-CD2 3.45Å; Q346-H350 PolarHBondContact O-N 3.47Å; Q346-H350 PolarHBondContact OE1-CD2 3.04Å; Q346-H350 PolarHBondContact OE1-NE2 3.11Å
347V90.9Very high92Very high31 Ų3160.8 Ų60.819%0.18833%0.334CS..Hα-helixtrans-60.3-49.1176.9167.40000110.7I343 R344 M345 T349 L351 L359 Y360I343-V347 HydrophobicContact CG2-CG2 4.27Å; I343-V347 WeakPolarHBondContact O-CG2 3.47Å; I343-V347 PolarHBondContact O-N 3.33Å; R344-V347 PolarHBondContact O-N 2.93Å; M345-V347 PolarHBondContact O-N 3.38Å; V347-T349 VanDerWaalsContact C-N 3.33Å; V347-T349 PolarHBondContact O-N 3.36Å; V347-L351 HydrophobicContact CG1-CD1 3.71Å; V347-L351 HydrophobicContact CG1-CG 4.2Å; V347-L351 VanDerWaalsContact O-CB 3.3Å; V347-L351 WeakPolarHBondContact O-CB 3.43Å; V347-L351 PolarHBondContact O-N 3.3Å; V347-L359 HydrophobicContact CG1-CD1 3.96Å; V347-Y360 HydrophobicContact CB-CE2 4.13Å; V347-Y360 HydrophobicContact CG1-CD2 4.43Å; V347-Y360 HydrophobicContact CG1-CE2 3.73Å
348M92.7Very high91.8Very high31 Ų3166.1 Ų66.115%0.15336%0.362CS..Hα-helixtrans-70-27.7-178.8-67.4-171.972.700113.2M219 G220 R344 M345 Y360 F361M219-M348 HydrophobicContact CB-CB 3.78Å; M219-M348 HydrophobicContact CB-CE 4.34Å; M219-M348 HydrophobicContact CB-SD 4.07Å; M219-M348 HydrophobicContact CG-SD 4.42Å; M219-M348 HydrophobicContact SD-SD 3.78Å; G220-M348 VanDerWaalsContact O-CE 3.27Å; G220-M348 WeakPolarHBondContact O-CE 3.44Å; R344-M348 HydrophobicContact CG-CG 4.25Å; R344-M348 HydrophobicContact CG-SD 3.86Å; R344-M348 WeakPolarHBondContact O-CB 3.08Å; R344-M348 VanDerWaalsContact O-CG 3.3Å; R344-M348 WeakPolarHBondContact O-CG 3.28Å; R344-M348 PolarHBondContact O-N 3.35Å; M345-M348 PolarHBondContact O-N 3.43Å; M348-Y360 HydrophobicContact CG-CD2 4.05Å; M348-Y360 HydrophobicContact CG-CE2 4.33Å; M348-Y360 HydrophobicContact SD-CD2 4.39Å; M348-F361 HydrophobicContact CE-CE2 3.65Å; M348-F361 HydrophobicContact CE-CZ 4.14Å
349T91.8Very high91.7Very high48 Ų4868.6 Ų68.629%0.29438%0.377SS..Hα-helixtrans-82.8-31.6178.1-55.50000112.9R218 M345 Q346 V347R218-T349 PolarHBondContact O-OG1 3.31Å; M345-T349 WeakPolarHBondContact O-CB 3.33Å; M345-T349 PolarHBondContact O-N 3.44Å; M345-T349 PolarHBondContact O-OG1 3.01Å; Q346-T349 PolarHBondContact O-N 3.41Å; V347-T349 VanDerWaalsContact C-N 3.33Å; V347-T349 PolarHBondContact O-N 3.36Å
350H91.1Very high91.4Very high122 Ų12267.7 Ų67.757%0.56536%0.361SS*.Hα-helixtrans-117.1-21.1-166.7-63.3-60000115.6R218 Q346R218-H350 PolarHBondContact NH2-NE2 3.24Å; Q346-H350 WeakPolarHBondContact O-CB 3.38Å; Q346-H350 PolarHBondContact O-CD2 3.45Å; Q346-H350 PolarHBondContact O-N 3.47Å; Q346-H350 PolarHBondContact OE1-CD2 3.04Å; Q346-H350 PolarHBondContact OE1-NE2 3.11Å
351L89.4Confident91.2Very high76 Ų7667.7 Ų67.740%0.39836%0.36SS..SBendtrans-81.3155.2173.3-65.5-168.3000111.5V347 G353 L355 L359V347-L351 HydrophobicContact CG1-CD1 3.71Å; V347-L351 HydrophobicContact CG1-CG 4.2Å; V347-L351 VanDerWaalsContact O-CB 3.3Å; V347-L351 WeakPolarHBondContact O-CB 3.43Å; V347-L351 PolarHBondContact O-N 3.3Å; L351-G353 PolarHBondContact O-N 3.43Å; L351-L355 HydrophobicContact CD1-CB 4.46Å; L351-L359 HydrophobicContact CD1-CD1 4.37Å
352P94.3Very high91.1Very high84 Ų8469.5 Ų69.555%0.54537%0.372SS..  trans-52.3137.4165.8-24.833.2000111.4A354 L355 S356P352-A354 VanDerWaalsContact C-N 3.27Å; P352-A354 PolarHBondContact O-N 3.07Å; P352-A354 VanDerWaalsContact O-N 3.13Å; P352-L355 HydrophobicContact CG-CD1 4.32Å; P352-L355 PolarHBondContact O-N 2.96Å; P352-S356 PolarHBondContact O-N 3.49Å; P352-S356 VanDerWaalsContact O-N 3.17Å
353G91.2Very high91Very high43 Ų4367.9 Ų67.944%0.44337%0.372SS..Hα-helixtrans-50-43.2-174.700000114.1L351 L355 S356 D357L351-G353 PolarHBondContact O-N 3.43Å; G353-L355 VanDerWaalsContact C-N 3.25Å; G353-L355 PolarHBondContact O-N 3.49Å; G353-S356 WeakPolarHBondContact CA-OG 3.46Å; G353-S356 PolarHBondContact O-N 2.86Å; G353-S356 PolarHBondContact O-OG 3.37Å; G353-D357 VanDerWaalsContact O-CB 3.29Å; G353-D357 WeakPolarHBondContact O-CB 3.5Å; G353-D357 PolarHBondContact O-N 3.27Å
354A92.5Very high91Very high82 Ų8266.7 Ų66.768%0.67837%0.367SS*.Hα-helixtrans-59-34.7178.800000113.6P352 L358P352-A354 VanDerWaalsContact C-N 3.27Å; P352-A354 PolarHBondContact O-N 3.07Å; P352-A354 VanDerWaalsContact O-N 3.13Å; A354-L358 WeakPolarHBondContact O-CB 3.39Å; A354-L358 PolarHBondContact O-N 2.85Å
355L91.1Very high90.8Very high92 Ų9268.5 Ų68.548%0.48238%0.38SS..Hα-helixtrans-79-42.1178.2-65.1-179.5000111.4L351 P352 G353 D357 L359L351-L355 HydrophobicContact CD1-CB 4.46Å; P352-L355 HydrophobicContact CG-CD1 4.32Å; P352-L355 PolarHBondContact O-N 2.96Å; G353-L355 VanDerWaalsContact C-N 3.25Å; G353-L355 PolarHBondContact O-N 3.49Å; L355-D357 VanDerWaalsContact C-N 3.28Å; L355-D357 PolarHBondContact O-N 3.16Å; L355-L359 VanDerWaalsContact O-CG 3.31Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 3.4Å
356S91.1Very high90.6Very high6 Ų672.8 Ų72.84%0.04240%0.404CS..Hα-helixtrans-64.5-37176.454.20000111.8P352 G353 L359 Y360P352-S356 PolarHBondContact O-N 3.49Å; P352-S356 VanDerWaalsContact O-N 3.17Å; G353-S356 WeakPolarHBondContact CA-OG 3.46Å; G353-S356 PolarHBondContact O-N 2.86Å; G353-S356 PolarHBondContact O-OG 3.37Å; S356-L359 PolarHBondContact O-N 2.96Å; S356-Y360 WeakPolarHBondContact O-CD2 3.25Å; S356-Y360 PolarHBondContact O-N 2.82Å
357D91.6Very high90.5Very high80 Ų8074.9 Ų74.943%0.42842%0.418SS..Hα-helixtrans-67.9-49.6178.8-68.4-11.4000110.1G353 L355 L359 Y360 F361G353-D357 VanDerWaalsContact O-CB 3.29Å; G353-D357 WeakPolarHBondContact O-CB 3.5Å; G353-D357 PolarHBondContact O-N 3.27Å; L355-D357 VanDerWaalsContact C-N 3.28Å; L355-D357 PolarHBondContact O-N 3.16Å; D357-L359 PolarHBondContact O-N 2.99Å; D357-Y360 PolarHBondContact O-N 2.98Å; D357-F361 WeakPolarHBondContact O-CA 3.21Å; D357-F361 WeakPolarHBondContact O-CB 2.67Å; D357-F361 PolarHBondContact O-N 2.88Å
358L91.3Very high90.5Very high137 Ų13778 Ų7872%0.71743%0.434SS*.Hα-helixtrans-53.6-32.7176.1-179.665.4000113.7A354A354-L358 WeakPolarHBondContact O-CB 3.39Å; A354-L358 PolarHBondContact O-N 2.85Å
359L88.1Confident90.3Very high112 Ų11281.6 Ų81.659%0.58646%0.456SS*.Hα-helixtrans-79.2-26.6-179.1-71.9171.9000113.7V347 L351 L355 S356 D357V347-L359 HydrophobicContact CG1-CD1 3.96Å; L351-L359 HydrophobicContact CD1-CD1 4.37Å; L355-L359 VanDerWaalsContact O-CG 3.31Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 3.4Å; S356-L359 PolarHBondContact O-N 2.96Å; D357-L359 PolarHBondContact O-N 2.99Å
360Y85.7Confident90.2Very high81 Ų8184.4 Ų84.432%0.31847%0.469SS..Hα-helixtrans-127.6-7.9-168.4-71.4-68.6000115.1R344 V347 M348 S356 D357R344-Y360 WeakPolarHBondContact CA-OH 3.45Å; R344-Y360 HydrophobicContact CB-CE1 4.03Å; R344-Y360 HydrophobicContact CB-CE2 4.36Å; R344-Y360 WeakPolarHBondContact CB-OH 3.5Å; R344-Y360 HydrophobicContact CG-CD1 4.09Å; R344-Y360 HydrophobicContact CG-CD2 4.31Å; R344-Y360 HydrophobicContact CG-CE1 3.64Å; R344-Y360 HydrophobicContact CG-CE2 3.87Å; R344-Y360 HydrophobicContact CG-CG 4.42Å; V347-Y360 HydrophobicContact CB-CE2 4.13Å; V347-Y360 HydrophobicContact CG1-CD2 4.43Å; V347-Y360 HydrophobicContact CG1-CE2 3.73Å; M348-Y360 HydrophobicContact CG-CD2 4.05Å; M348-Y360 HydrophobicContact CG-CE2 4.33Å; M348-Y360 HydrophobicContact SD-CD2 4.39Å; S356-Y360 WeakPolarHBondContact O-CD2 3.25Å; S356-Y360 PolarHBondContact O-N 2.82Å; D357-Y360 PolarHBondContact O-N 2.98Å
361F85.1Confident90.1Very high98 Ų9881 Ų8143%0.4346%0.461SS..  trans-143.40-170.1-70.1-48.6000112.8R222 M348 D357R222-F361 HydrophobicContact CG-CD1 4.19Å; R222-F361 HydrophobicContact CG-CE1 3.73Å; R222-F361 HydrophobicContact CG-CZ 4.46Å; R222-F361 VanDerWaalsContact NE-CD1 3.26Å; R222-F361 PolarHBondContact NH2-O 2.96Å; M348-F361 HydrophobicContact CE-CE2 3.65Å; M348-F361 HydrophobicContact CE-CZ 4.14Å; D357-F361 WeakPolarHBondContact O-CA 3.21Å; D357-F361 WeakPolarHBondContact O-CB 2.67Å; D357-F361 PolarHBondContact O-N 2.88Å

Retrieved 361 of 361 residues in 152.1 ms (Link to these results)

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