A0A077ZKW6_TRITR Loading...

Tetratricopeptide repeat protein 30

Required for polyglutamylation of axonemal tubulin. Plays a role in anterograde intraflagellar transport (IFT), the process by which cilia precursors are transported from the base of the cilium to the site of their incorporation at the tip.

AlphaFold DB , UniProt , Accession A0A077ZKW6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 645 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
1M41.8Very low55.1Low208 Ų208129 Ų129100%1.02563%0.63SS**  0-39.50-75.1-174.8-172.500113.6Y3 T4M1-Y3 PolarHBondContact O-N 3.23Å; M1-T4 PolarHBondContact O-N 3.18Å; M1-T4 PolarHBondContact O-OG1 3.31Å
2H37.2Very low57.4Low160 Ų160124.8 Ų124.874%0.74161%0.612SS**Hα-helixtrans-63.2-32.5179.6-105.7-67.9000115.9T6H2-T6 PolarHBondContact O-N 3.28Å; H2-T6 PolarHBondContact O-OG1 2.98Å
3Y35.2Very low59.3Low210 Ų210115.7 Ų115.782%0.82457%0.568SS**Hα-helixtrans-71-29.7178.6-102-89.4000113.9M1 T6 A7M1-Y3 PolarHBondContact O-N 3.23Å; Y3-T6 PolarHBondContact O-OG1 3.35Å; Y3-A7 WeakPolarHBondContact O-CB 3.23Å; Y3-A7 PolarHBondContact O-N 3.19Å
4T50.1Low61Low103 Ų103116.6 Ų116.663%0.63256%0.564SS**Hα-helixtrans-77.9-29.9-178.237.30000112.5M1 K8M1-T4 PolarHBondContact O-N 3.18Å; M1-T4 PolarHBondContact O-OG1 3.31Å; T4-K8 PolarHBondContact O-N 2.77Å
5E52.1Low62.6Low125 Ų125113 Ų11358%0.58455%0.552SS**Hα-helixtrans-80.9-38.1-178.3-158164.3-152.100112.1K8 N9E5-K8 PolarHBondContact O-N 3.28Å; E5-N9 PolarHBondContact O-N 3.24Å; E5-N9 PolarHBondContact O-ND2 3.16Å
6T52.3Low63.9Low77 Ų77107.4 Ų107.447%0.47253%0.525SS..Hα-helixtrans-63.9-44.5171.927.50000112.1H2 Y3 K8 N9 T10H2-T6 PolarHBondContact O-N 3.28Å; H2-T6 PolarHBondContact O-OG1 2.98Å; Y3-T6 PolarHBondContact O-OG1 3.35Å; T6-K8 VanDerWaalsContact C-N 3.33Å; T6-K8 PolarHBondContact O-N 2.99Å; T6-N9 PolarHBondContact O-N 2.91Å; T6-T10 PolarHBondContact O-N 3.43Å; T6-T10 PolarHBondContact O-OG1 3.46Å; T6-T10 VanDerWaalsContact O-OG1 3.06Å
7A56.1Low65Low59 Ų59102.6 Ų102.649%0.48850%0.502SS..Hα-helixtrans-63.1-37176.200000112.9Y3 R11Y3-A7 WeakPolarHBondContact O-CB 3.23Å; Y3-A7 PolarHBondContact O-N 3.19Å; A7-R11 WeakPolarHBondContact O-CB 3.38Å; A7-R11 PolarHBondContact O-N 3.33Å
8K65.3Low66Low148 Ų148109.2 Ų109.264%0.64352%0.52SS*.Hα-helixtrans-63.9-44.5174.6-127.2178.5-179.2-177.40111.4T4 E5 T6 R11 N12T4-K8 PolarHBondContact O-N 2.77Å; E5-K8 PolarHBondContact O-N 3.28Å; T6-K8 VanDerWaalsContact C-N 3.33Å; T6-K8 PolarHBondContact O-N 2.99Å; K8-R11 PolarHBondContact O-N 3.21Å; K8-N12 WeakPolarHBondContact O-CB 3.49Å; K8-N12 PolarHBondContact O-N 2.9Å; K8-N12 PolarHBondContact O-OD1 3.19Å
9N68Low66.6Low62 Ų62108.8 Ų108.833%0.33252%0.522SS..Hα-helixtrans-64-42.9177.8-73.6-20000112.3E5 T6 N12 V13E5-N9 PolarHBondContact O-N 3.24Å; E5-N9 PolarHBondContact O-ND2 3.16Å; T6-N9 PolarHBondContact O-N 2.91Å; N9-N12 PolarHBondContact O-N 2.89Å; N9-V13 WeakPolarHBondContact O-CG2 3.4Å; N9-V13 PolarHBondContact O-N 3.3Å
10T69.5Low67.1Low77 Ų77104.5 Ų104.547%0.47251%0.507SS..Hα-helixtrans-61.6-46.4175.6-520000111.4T6 N12 V13 Y14T6-T10 PolarHBondContact O-N 3.43Å; T6-T10 PolarHBondContact O-OG1 3.46Å; T6-T10 VanDerWaalsContact O-OG1 3.06Å; T10-N12 VanDerWaalsContact C-N 3.34Å; T10-N12 PolarHBondContact O-N 3.28Å; T10-V13 PolarHBondContact O-N 2.88Å; T10-Y14 HydrophobicContact CG2-CD2 3.85Å; T10-Y14 HydrophobicContact CG2-CE2 3.69Å; T10-Y14 VanDerWaalsContact O-CD2 3.26Å; T10-Y14 WeakPolarHBondContact O-CD2 3.46Å; T10-Y14 PolarHBondContact O-N 3.45Å; T10-Y14 VanDerWaalsContact O-N 3.13Å
11R78.2Confident67.8Low190 Ų190103 Ų10372%0.71750%0.499SS*.Hα-helixtrans-61.5-41.8177.4-174.5176.6179.2169.80112.1A7 K8 Y14 T15A7-R11 WeakPolarHBondContact O-CB 3.38Å; A7-R11 PolarHBondContact O-N 3.33Å; K8-R11 PolarHBondContact O-N 3.21Å; R11-Y14 PolarHBondContact O-N 2.97Å; R11-T15 WeakPolarHBondContact O-CB 3.49Å; R11-T15 PolarHBondContact O-N 3.47Å; R11-T15 PolarHBondContact O-OG1 2.97Å
12N83.1Confident69.6Low78 Ų7894.8 Ų94.842%0.41746%0.458SS..Hα-helixtrans-62.4-45.8178.4-74.2-1.8000111.4K8 N9 T10 Y14 T15 L16K8-N12 WeakPolarHBondContact O-CB 3.49Å; K8-N12 PolarHBondContact O-N 2.9Å; K8-N12 PolarHBondContact O-OD1 3.19Å; N9-N12 PolarHBondContact O-N 2.89Å; T10-N12 VanDerWaalsContact C-N 3.34Å; T10-N12 PolarHBondContact O-N 3.28Å; N12-Y14 PolarHBondContact O-N 3.34Å; N12-T15 PolarHBondContact O-N 3.46Å; N12-L16 WeakPolarHBondContact O-CG 3.22Å; N12-L16 PolarHBondContact O-N 3Å
13V82Confident71.6Confident7 Ų792.1 Ų92.14%0.04245%0.449CS..Hα-helixtrans-60.7-47.7177.9172.70000111.4N9 T10 T15 L16 I17 L29 L62N9-V13 WeakPolarHBondContact O-CG2 3.4Å; N9-V13 PolarHBondContact O-N 3.3Å; T10-V13 PolarHBondContact O-N 2.88Å; V13-T15 VanDerWaalsContact C-N 3.28Å; V13-T15 PolarHBondContact O-N 3.23Å; V13-L16 PolarHBondContact O-N 3.49Å; V13-I17 HydrophobicContact CG1-CD1 3.86Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 3.49Å; V13-L29 HydrophobicContact CG1-CD1 4.09Å; V13-L29 HydrophobicContact CG1-CD2 4.14Å; V13-L29 HydrophobicContact CG1-CG 4.18Å; V13-L29 HydrophobicContact CG2-CD2 4.37Å; V13-L29 HydrophobicContact CG2-CG 4.45Å; V13-L62 HydrophobicContact CG1-CD1 4.16Å
14Y83.3Confident73.7Confident128 Ų12886.7 Ų86.750%0.50243%0.431SS..Hα-helixtrans-64.5-32.5177.4-80.4-72000113T10 R11 N12 R18 L62T10-Y14 HydrophobicContact CG2-CD2 3.85Å; T10-Y14 HydrophobicContact CG2-CE2 3.69Å; T10-Y14 VanDerWaalsContact O-CD2 3.26Å; T10-Y14 WeakPolarHBondContact O-CD2 3.46Å; T10-Y14 PolarHBondContact O-N 3.45Å; T10-Y14 VanDerWaalsContact O-N 3.13Å; R11-Y14 PolarHBondContact O-N 2.97Å; N12-Y14 PolarHBondContact O-N 3.34Å; Y14-R18 VanDerWaalsContact O-CB 3.28Å; Y14-R18 WeakPolarHBondContact O-CB 3.36Å; Y14-R18 PolarHBondContact O-N 2.88Å; Y14-L62 HydrophobicContact CE1-CD1 4.5Å; Y14-L62 HydrophobicContact CE1-CD2 4.06Å; Y14-L62 HydrophobicContact CE2-CD1 4.35Å
15T84.5Confident75.2Confident63 Ų6381.8 Ų81.839%0.38740%0.401SS..Hα-helixtrans-68.9-43.8176.7-52.90000110.9R11 N12 V13 R18 N19R11-T15 WeakPolarHBondContact O-CB 3.49Å; R11-T15 PolarHBondContact O-N 3.47Å; R11-T15 PolarHBondContact O-OG1 2.97Å; N12-T15 PolarHBondContact O-N 3.46Å; V13-T15 VanDerWaalsContact C-N 3.28Å; V13-T15 PolarHBondContact O-N 3.23Å; T15-R18 PolarHBondContact O-N 3.43Å; T15-N19 WeakPolarHBondContact O-CB 3.45Å; T15-N19 VanDerWaalsContact O-CG 3.24Å; T15-N19 PolarHBondContact O-N 3.27Å
16L83.6Confident76.6Confident24 Ų2476.2 Ų76.213%0.12638%0.377CS..Hα-helixtrans-61.4-44.9175.7-70169.4000111.7N12 V13 N19 G20 Q21 E24 A25 L28N12-L16 WeakPolarHBondContact O-CG 3.22Å; N12-L16 PolarHBondContact O-N 3Å; V13-L16 PolarHBondContact O-N 3.49Å; L16-N19 CarbonylContact O-C 3.58Å; L16-N19 PolarHBondContact O-N 3.33Å; L16-G20 PolarHBondContact O-N 2.93Å; L16-Q21 HydrophobicContact CB-CB 4.35Å; L16-Q21 HydrophobicContact CD2-CB 4Å; L16-Q21 PolarHBondContact O-N 2.68Å; L16-E24 HydrophobicContact CD1-CB 4.36Å; L16-E24 HydrophobicContact CD2-CB 4.36Å; L16-A25 HydrophobicContact CB-CB 4.02Å; L16-A25 HydrophobicContact CD1-CB 4.49Å; L16-L28 HydrophobicContact CD1-CD1 3.45Å; L16-L28 VanDerWaalsContact CD1-CD1 3.45Å
17I83.5Confident77.9Confident25 Ų2577.9 Ų77.913%0.12838%0.379CS..Hα-helixtrans-62-44.9176.6-68.9173.1000110.6V13 N19 G20 F22 A25 L62 Y65V13-I17 HydrophobicContact CG1-CD1 3.86Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 3.49Å; I17-N19 PolarHBondContact O-N 3.48Å; I17-G20 PolarHBondContact O-N 2.92Å; I17-G20 VanDerWaalsContact O-N 3.09Å; I17-F22 HydrophobicContact CG2-CE1 4.17Å; I17-A25 HydrophobicContact CG1-CB 3.95Å; I17-L62 HydrophobicContact CD1-CB 4.48Å; I17-L62 HydrophobicContact CD1-CD2 3.91Å; I17-Y65 HydrophobicContact CG2-CD1 4.31Å; I17-Y65 HydrophobicContact CG2-CE1 3.87Å
18R81.7Confident79.1Confident222 Ų22278.1 Ų78.184%0.83837%0.372SS*.Hα-helixtrans-60.7-33.5177.3-176.6179179-178-0.1112.4Y14 T15 G20Y14-R18 VanDerWaalsContact O-CB 3.28Å; Y14-R18 WeakPolarHBondContact O-CB 3.36Å; Y14-R18 PolarHBondContact O-N 2.88Å; T15-R18 PolarHBondContact O-N 3.43Å; R18-G20 VanDerWaalsContact C-N 3.31Å
19N78.5Confident79.7Confident102 Ų10271.2 Ų71.255%0.54534%0.342SS..THydrogen-bonded Turntrans-86.44.2179-66.1-6.9000113.5T15 L16 I17 Q21T15-N19 WeakPolarHBondContact O-CB 3.45Å; T15-N19 VanDerWaalsContact O-CG 3.24Å; T15-N19 PolarHBondContact O-N 3.27Å; L16-N19 CarbonylContact O-C 3.58Å; L16-N19 PolarHBondContact O-N 3.33Å; I17-N19 PolarHBondContact O-N 3.48Å; N19-Q21 VanDerWaalsContact C-N 3.25Å; N19-Q21 HydrophobicContact CB-CG 4.39Å; N19-Q21 PolarHBondContact O-N 3.21Å
20G76.9Confident80.1Confident22 Ų2270.5 Ų70.523%0.22734%0.338CS..THydrogen-bonded Turntrans73.99.3-178.600000114.9L16 I17 R18 F22L16-G20 PolarHBondContact O-N 2.93Å; I17-G20 PolarHBondContact O-N 2.92Å; I17-G20 VanDerWaalsContact O-N 3.09Å; R18-G20 VanDerWaalsContact C-N 3.31Å; G20-F22 WeakPolarHBondContact O-CD2 3.33Å; G20-F22 PolarHBondContact O-N 2.95Å
21Q81.1Confident80.3Confident74 Ų7475.1 Ų75.135%0.34635%0.347SS..  trans-83.159.8179.9-64.7178.3-83.800111.2L16 N19 N23 E24 A25L16-Q21 HydrophobicContact CB-CB 4.35Å; L16-Q21 HydrophobicContact CD2-CB 4Å; L16-Q21 PolarHBondContact O-N 2.68Å; N19-Q21 VanDerWaalsContact C-N 3.25Å; N19-Q21 HydrophobicContact CB-CG 4.39Å; N19-Q21 PolarHBondContact O-N 3.21Å; Q21-N23 PolarHBondContact O-N 3.03Å; Q21-E24 PolarHBondContact NE2-OE1 3.46Å; Q21-E24 VanDerWaalsContact NE2-OE1 3.15Å; Q21-E24 PolarHBondContact NE2-OE2 3.5Å; Q21-E24 PolarHBondContact O-N 3.24Å; Q21-A25 PolarHBondContact O-N 3.02Å; Q21-A25 VanDerWaalsContact O-N 3.15Å
22F80.1Confident79.9Confident34 Ų3470.5 Ų70.515%0.14933%0.333CS..Hα-helixtrans-66.1-33.4-171.5-56.1-65.5000113.9I17 G20 A25 A26 Y65 Q69 L70I17-F22 HydrophobicContact CG2-CE1 4.17Å; G20-F22 WeakPolarHBondContact O-CD2 3.33Å; G20-F22 PolarHBondContact O-N 2.95Å; F22-A25 PolarHBondContact O-N 2.97Å; F22-A26 WeakPolarHBondContact O-CB 3.29Å; F22-A26 PolarHBondContact O-N 3.28Å; F22-Y65 HydrophobicContact CE1-CE1 4.14Å; F22-Q69 HydrophobicContact CB-CB 4.36Å; F22-Q69 HydrophobicContact CD1-CB 3.83Å; F22-Q69 HydrophobicContact CD1-CG 3.98Å; F22-Q69 HydrophobicContact CD2-CB 3.66Å; F22-Q69 HydrophobicContact CD2-CG 4.42Å; F22-Q69 HydrophobicContact CE1-CB 3.97Å; F22-Q69 HydrophobicContact CE1-CG 3.71Å; F22-Q69 HydrophobicContact CE2-CB 3.79Å; F22-Q69 HydrophobicContact CE2-CG 4.17Å; F22-Q69 HydrophobicContact CG-CB 3.67Å; F22-Q69 HydrophobicContact CG-CG 4.33Å; F22-Q69 HydrophobicContact CZ-CB 3.94Å; F22-Q69 HydrophobicContact CZ-CG 3.8Å; F22-L70 HydrophobicContact CB-CD1 4.23Å; F22-L70 HydrophobicContact CB-CD2 3.93Å; F22-L70 HydrophobicContact CB-CG 3.85Å
23N79.6Confident79.1Confident105 Ų10567 Ų6756%0.56132%0.315SS*.Hα-helixtrans-63.9-47.1178.1-99.3-34.2000111.9Q21 A26 Q27 L70Q21-N23 PolarHBondContact O-N 3.03Å; N23-A26 PolarHBondContact O-N 3.3Å; N23-Q27 WeakPolarHBondContact O-CG 3.35Å; N23-Q27 PolarHBondContact O-N 3.41Å; N23-L70 HydrophobicContact CB-CD2 4.41Å; N23-L70 WeakPolarHBondContact OD1-CD1 3.33Å
24E78.8Confident77.9Confident95 Ų9573.2 Ų73.244%0.44435%0.347SS..Hα-helixtrans-65.7-40.5178-69.8173.4-141.600111.3L16 Q21 Q27 L28L16-E24 HydrophobicContact CD1-CB 4.36Å; L16-E24 HydrophobicContact CD2-CB 4.36Å; Q21-E24 PolarHBondContact NE2-OE1 3.46Å; Q21-E24 VanDerWaalsContact NE2-OE1 3.15Å; Q21-E24 PolarHBondContact NE2-OE2 3.5Å; Q21-E24 PolarHBondContact O-N 3.24Å; E24-Q27 PolarHBondContact O-N 3.02Å; E24-L28 PolarHBondContact O-N 2.8Å; E24-L28 VanDerWaalsContact O-N 3.11Å
25A81.5Confident76.4Confident0 Ų068.6 Ų68.60%033%0.333CS..Hα-helixtrans-60.7-45.4174.500000111.9L16 I17 Q21 F22 Q27 L28 L29L16-A25 HydrophobicContact CB-CB 4.02Å; L16-A25 HydrophobicContact CD1-CB 4.49Å; I17-A25 HydrophobicContact CG1-CB 3.95Å; Q21-A25 PolarHBondContact O-N 3.02Å; Q21-A25 VanDerWaalsContact O-N 3.15Å; F22-A25 PolarHBondContact O-N 2.97Å; A25-Q27 PolarHBondContact O-N 3.49Å; A25-L28 PolarHBondContact O-N 3.35Å; A25-L29 WeakPolarHBondContact O-CB 3.46Å; A25-L29 WeakPolarHBondContact O-CD1 3.29Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.33Å; A25-L29 PolarHBondContact O-N 2.78Å
26A80.4Confident74.1Confident9 Ų972.4 Ų72.47%0.07435%0.351CS..Hα-helixtrans-63.5-40.6178.400000112.4F22 N23 L29 N30 L63 C66 L70F22-A26 WeakPolarHBondContact O-CB 3.29Å; F22-A26 PolarHBondContact O-N 3.28Å; N23-A26 PolarHBondContact O-N 3.3Å; A26-L29 PolarHBondContact O-N 3.02Å; A26-N30 WeakPolarHBondContact O-CB 3.36Å; A26-N30 PolarHBondContact O-N 3Å; A26-N30 PolarHBondContact O-ND2 3.24Å; A26-L63 HydrophobicContact CB-CD1 4.05Å; A26-C66 HydrophobicContact CB-CB 4.06Å; A26-L70 HydrophobicContact CB-CD1 4.31Å
27Q81.3Confident72Confident111 Ų11179.4 Ų79.452%0.51938%0.383SS..Hα-helixtrans-62.7-43.7176.2-72.5178.810.800112.2N23 E24 A25 N30 R31N23-Q27 WeakPolarHBondContact O-CG 3.35Å; N23-Q27 PolarHBondContact O-N 3.41Å; E24-Q27 PolarHBondContact O-N 3.02Å; A25-Q27 PolarHBondContact O-N 3.49Å; Q27-N30 PolarHBondContact O-N 3.5Å; Q27-R31 WeakPolarHBondContact O-CG 3.43Å; Q27-R31 PolarHBondContact O-N 3.31Å; Q27-R31 VanDerWaalsContact O-N 3.17Å
28L80.5Confident70Confident65 Ų6580 Ų8034%0.3439%0.391SS..Hα-helixtrans-63.9-41.3176.3-78.3167.4000112.3L16 E24 A25 R31 Q32L16-L28 HydrophobicContact CD1-CD1 3.45Å; L16-L28 VanDerWaalsContact CD1-CD1 3.45Å; E24-L28 PolarHBondContact O-N 2.8Å; E24-L28 VanDerWaalsContact O-N 3.11Å; A25-L28 PolarHBondContact O-N 3.35Å; L28-R31 PolarHBondContact O-N 3.14Å; L28-Q32 PolarHBondContact O-N 3.26Å
29L77.8Confident68.1Low3 Ų371.1 Ų71.12%0.01636%0.361CS..Hα-helixtrans-66.3-40.4178.1-74.1166.6000112.3V13 A25 A26 R31 Q32 L33 A59 L62 L63V13-L29 HydrophobicContact CG1-CD1 4.09Å; V13-L29 HydrophobicContact CG1-CD2 4.14Å; V13-L29 HydrophobicContact CG1-CG 4.18Å; V13-L29 HydrophobicContact CG2-CD2 4.37Å; V13-L29 HydrophobicContact CG2-CG 4.45Å; A25-L29 WeakPolarHBondContact O-CB 3.46Å; A25-L29 WeakPolarHBondContact O-CD1 3.29Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.33Å; A25-L29 PolarHBondContact O-N 2.78Å; A26-L29 PolarHBondContact O-N 3.02Å; L29-R31 PolarHBondContact O-N 3.33Å; L29-Q32 PolarHBondContact O-N 3.37Å; L29-L33 PolarHBondContact O-N 3.23Å; L29-A59 HydrophobicContact CD2-CB 4.02Å; L29-L62 HydrophobicContact CD1-CB 3.79Å; L29-L62 HydrophobicContact CD2-CB 4.32Å; L29-L63 HydrophobicContact CB-CB 4.31Å; L29-L63 HydrophobicContact CB-CD1 4.11Å; L29-L63 HydrophobicContact CD1-CB 4.32Å
30N76.7Confident66.1Low46 Ų4672.3 Ų72.325%0.24637%0.372CS..Hα-helixtrans-62.1-42.2175-83.4-29.9000112.2A26 Q27 Q32 L33 L63A26-N30 WeakPolarHBondContact O-CB 3.36Å; A26-N30 PolarHBondContact O-N 3Å; A26-N30 PolarHBondContact O-ND2 3.24Å; Q27-N30 PolarHBondContact O-N 3.5Å; N30-Q32 VanDerWaalsContact C-N 3.3Å; N30-Q32 PolarHBondContact O-N 2.98Å; N30-L33 PolarHBondContact O-N 3.43Å; N30-L63 VanDerWaalsContact OD1-CD2 3.27Å; N30-L63 WeakPolarHBondContact OD1-CD2 3.45Å
31R73.1Confident63.9Low175 Ų17575.1 Ų75.166%0.6639%0.385SS*.Hα-helixtrans-61.2-37.9175.5-71.6178.5-171.5162.25.2112.1Q27 L28 L29Q27-R31 WeakPolarHBondContact O-CG 3.43Å; Q27-R31 PolarHBondContact O-N 3.31Å; Q27-R31 VanDerWaalsContact O-N 3.17Å; L28-R31 PolarHBondContact O-N 3.14Å; L29-R31 PolarHBondContact O-N 3.33Å
32Q69.3Low61.5Low92 Ų9275.7 Ų75.743%0.4340%0.397SS..Hα-helixtrans-71.8-27.1178.8-79.7-168-22.100114.3L28 L29 N30 N34L28-Q32 PolarHBondContact O-N 3.26Å; L29-Q32 PolarHBondContact O-N 3.37Å; N30-Q32 VanDerWaalsContact C-N 3.3Å; N30-Q32 PolarHBondContact O-N 2.98Å; Q32-N34 VanDerWaalsContact C-N 3.31Å
33L66.6Low59.1Low6 Ų681.4 Ų81.43%0.03143%0.427CS..THydrogen-bonded Turntrans-85.9-0.3-179.1-72.6162.3000112.8L29 N30 V35 Q55 N56 A59 L60 L63L29-L33 PolarHBondContact O-N 3.23Å; N30-L33 PolarHBondContact O-N 3.43Å; L33-V35 HydrophobicContact CB-CG2 3.59Å; L33-V35 PolarHBondContact O-N 3.38Å; L33-V35 VanDerWaalsContact O-N 3.12Å; L33-Q55 HydrophobicContact CD2-CB 4.06Å; L33-Q55 HydrophobicContact CD2-CG 4.49Å; L33-Q55 PolarHBondContact O-NE2 3.42Å; L33-N56 HydrophobicContact CD2-CB 4.48Å; L33-A59 HydrophobicContact CD1-CB 4.16Å; L33-A59 HydrophobicContact CD2-CB 3.94Å; L33-A59 HydrophobicContact CG-CB 4Å; L33-L60 HydrophobicContact CD1-CD1 3.89Å; L33-L60 HydrophobicContact CD2-CD1 4.4Å; L33-L63 HydrophobicContact CD1-CD2 3.94Å
34N56.6Low57Low136 Ų13681 Ų8173%0.72742%0.424SS*.THydrogen-bonded Turntrans47.735.5-172.4-92.91.1000112.2Q32 D36Q32-N34 VanDerWaalsContact C-N 3.31Å; N34-D36 VanDerWaalsContact C-N 3.33Å; N34-D36 PolarHBondContact O-N 2.92Å; N34-D36 VanDerWaalsContact O-N 3.12Å
35V51.4Low54.9Low32 Ų3280.8 Ų80.819%0.19443%0.431CS..  trans-85.786.6174-167.30000106.4L33 H37 V39L33-V35 HydrophobicContact CB-CG2 3.59Å; L33-V35 PolarHBondContact O-N 3.38Å; L33-V35 VanDerWaalsContact O-N 3.12Å; V35-H37 PolarHBondContact O-N 3.5Å; V35-V39 HydrophobicContact CG1-CG2 4Å
36D36.8Very low52.9Low143 Ų14389 Ų8977%0.76547%0.469SS*.  trans-56.2113.5167.4-78.7-30.6000108.4N34 A38N34-D36 VanDerWaalsContact C-N 3.33Å; N34-D36 PolarHBondContact O-N 2.92Å; N34-D36 VanDerWaalsContact O-N 3.12Å; D36-A38 PolarHBondContact O-N 3.14Å
37H39Very low50.8Low171 Ų17193.2 Ų93.279%0.79250%0.498SS*.SBendtrans51.41.9158.2-84.3-52.6000121.7V35V35-H37 PolarHBondContact O-N 3.5Å
38A42.6Very low48.8Very low37 Ų3795 Ų9531%0.30651%0.505SS..THydrogen-bonded Turntrans-96.90.2-16900000116.6D36 T40 I44 R78D36-A38 PolarHBondContact O-N 3.14Å; A38-T40 VanDerWaalsContact C-N 3.34Å; A38-I44 HydrophobicContact CB-CD1 4.49Å; A38-R78 PolarHBondContact O-NH1 2.98Å
39V41.3Very low46.8Very low36 Ų3695.7 Ų95.722%0.21851%0.508CS..THydrogen-bonded Turntrans-85.7-11.5174.8-175.10000111.9V35V35-V39 HydrophobicContact CG1-CG2 4Å
40T36.2Very low44.8Very low126 Ų126105.6 Ų105.677%0.77355%0.551SS**SBendtrans-98.5-17.2-177-39.20000113.5A38A38-T40 VanDerWaalsContact C-N 3.34Å
41T31.7Very low42.8Very low82 Ų82107.6 Ų107.650%0.50357%0.568SS.*SBendtrans-100.3121.7179.337.50000111.7R78T41-R78 PolarHBondContact O-NH1 3.33Å; T41-R78 PolarHBondContact O-NH2 2.92Å
42C30.7Very low41.1Very low86 Ų86103.5 Ų103.558%0.58156%0.556SS**SBendtrans-58.9136.2166.2-76.20000108.9
43I29.7Very low39.6Very low153 Ų153104.7 Ų104.779%0.78557%0.569SS**  trans82.399.3169.9-45.5157.6000115.7
44I36Very low38.4Very low97 Ų97114.6 Ų114.650%0.49761%0.612SS.*  trans-142.4138.2152.7-56-177.2000109.3A38 F48A38-I44 HydrophobicContact CB-CD1 4.49Å; I44-F48 HydrophobicContact CG2-CB 4.23Å
45P34Very low38.4Very low91 Ų91110.6 Ų110.659%0.59159%0.589SS**  trans-74.6157.9-174.2-1127.5000114.6S47 F48P45-S47 PolarHBondContact O-N 3.24Å; P45-F48 PolarHBondContact O-N 3.49Å
46Q38.4Very low39.3Very low172 Ų172113.5 Ų113.580%0.80460%0.604SS**G310 helixtrans-53.1-16.3-178.5-131.2168.70.500115.5F48 L49Q46-F48 VanDerWaalsContact C-N 3.31Å; Q46-F48 PolarHBondContact O-N 3.31Å; Q46-L49 HydrophobicContact CG-CD1 4.17Å; Q46-L49 PolarHBondContact O-N 3.17Å
47S36.9Very low41Very low98 Ų98111.4 Ų111.469%0.68559%0.585SS**G310 helixtrans-72.2-17.6-178.951.30000114.4P45P45-S47 PolarHBondContact O-N 3.24Å
48F39.3Very low42.7Very low149 Ų149105.7 Ų105.765%0.65457%0.568SS**G310 helixtrans-85-4.3178.2-120.9-98.6000114.3I44 P45 Q46 K50I44-F48 HydrophobicContact CG2-CB 4.23Å; P45-F48 PolarHBondContact O-N 3.49Å; Q46-F48 VanDerWaalsContact C-N 3.31Å; Q46-F48 PolarHBondContact O-N 3.31Å; F48-K50 VanDerWaalsContact C-N 3.33Å; F48-K50 PolarHBondContact O-N 3.3Å
49L38.9Very low44.4Very low78 Ų78104.1 Ų104.141%0.40855%0.554SS.*G310 helixtrans-77.1-8.5-176.6-96.1131.5000115.2Q46Q46-L49 HydrophobicContact CG-CD1 4.17Å; Q46-L49 PolarHBondContact O-N 3.17Å
50K36.5Very low46.2Very low212 Ų212103.1 Ų103.192%0.92255%0.548SS*.G310 helixtrans-85.9-9.5-171.9-92.3-178.3176178.30115.8F48F48-K50 VanDerWaalsContact C-N 3.33Å; F48-K50 PolarHBondContact O-N 3.3Å
51S33.2Very low48.4Very low87 Ų8798.9 Ų98.961%0.60852%0.524SS*.G310 helixtrans-104.26-177.366.90000115.2T53S51-T53 PolarHBondContact O-N 3.48Å
52F38.8Very low50.9Low90 Ų9096.4 Ų96.440%0.39551%0.507SS..  trans-77.297.7-177.6-93-95.1000112F54 Q55F52-F54 PolarHBondContact O-N 3.31Å; F52-Q55 HydrophobicContact CD1-CG 4.32Å
53T36.1Very low53.4Low116 Ų11692.5 Ų92.571%0.71248%0.48SS*.  trans-63.6107.1174.236.40000111.6S51 Q55S51-T53 PolarHBondContact O-N 3.48Å; T53-Q55 VanDerWaalsContact C-N 3.28Å; T53-Q55 WeakPolarHBondContact O-CG 3.49Å; T53-Q55 PolarHBondContact O-N 3.33Å
54F42.9Very low55.8Low215 Ų21585.2 Ų85.294%0.94344%0.443SS*.  trans31.351.4160.1-111.4-85.8000116.1F52F52-F54 PolarHBondContact O-N 3.31Å
55Q57.1Low58Low51 Ų5185.2 Ų85.224%0.23844%0.438CS..  trans-79.2133.8-174.1-83.7-176.91.600111.8L33 F52 T53 R57L33-Q55 HydrophobicContact CD2-CB 4.06Å; L33-Q55 HydrophobicContact CD2-CG 4.49Å; L33-Q55 PolarHBondContact O-NE2 3.42Å; F52-Q55 HydrophobicContact CD1-CG 4.32Å; T53-Q55 VanDerWaalsContact C-N 3.28Å; T53-Q55 WeakPolarHBondContact O-CG 3.49Å; T53-Q55 PolarHBondContact O-N 3.33Å; Q55-R57 PolarHBondContact O-N 2.87Å; Q55-R57 VanDerWaalsContact O-N 3.09Å
56N69.4Low60.3Low94 Ų9480.9 Ų80.950%0.50341%0.409SS..  trans-43.5105.5-171.2-176-9.9000114.4L33 A58 A59 L60L33-N56 HydrophobicContact CD2-CB 4.48Å; N56-A58 VanDerWaalsContact C-N 3.25Å; N56-A58 PolarHBondContact O-N 2.94Å; N56-A58 PolarHBondContact OD1-N 3.34Å; N56-A59 HydrophobicContact CB-CB 4Å; N56-A59 WeakPolarHBondContact O-CB 3.3Å; N56-A59 PolarHBondContact O-N 3.36Å; N56-L60 PolarHBondContact O-N 3.01Å
57R71.5Confident62.3Low98 Ų9873.1 Ų73.137%0.3737%0.374SS..Hα-helixtrans-48.5-44.7179.3178.1-167.5176.7-169.33.9112.9Q55 A59 L60 S61 L83 Y87 Y102Q55-R57 PolarHBondContact O-N 2.87Å; Q55-R57 VanDerWaalsContact O-N 3.09Å; R57-A59 VanDerWaalsContact C-N 3.35Å; R57-L60 PolarHBondContact O-N 3.43Å; R57-S61 WeakPolarHBondContact O-CB 3.38Å; R57-S61 PolarHBondContact O-N 2.96Å; R57-L83 HydrophobicContact CG-CD2 3.98Å; R57-Y87 WeakPolarHBondContact CD-OH 3.44Å; R57-Y87 HydrophobicContact CG-CE2 4.25Å; R57-Y87 PolarHBondContact NE-OH 3.48Å; R57-Y87 PolarHBondContact NH1-OH 2.98Å; R57-Y102 PolarHBondContact NE-OH 2.82Å; R57-Y102 VanDerWaalsContact NH2-CE2 3.27Å; R57-Y102 PolarHBondContact NH2-OH 3.32Å
58A76.5Confident64.2Low52 Ų5270.4 Ų70.443%0.4335%0.353SS..Hα-helixtrans-65.4-42.2-176.600000110.8N56 S61 L62N56-A58 VanDerWaalsContact C-N 3.25Å; N56-A58 PolarHBondContact O-N 2.94Å; N56-A58 PolarHBondContact OD1-N 3.34Å; A58-S61 PolarHBondContact O-N 3.14Å; A58-L62 WeakPolarHBondContact O-CB 3.22Å; A58-L62 VanDerWaalsContact O-CG 3.29Å; A58-L62 WeakPolarHBondContact O-CG 3.4Å; A58-L62 PolarHBondContact O-N 3.11Å
59A77.5Confident66.1Low3 Ų366.4 Ų66.43%0.02534%0.336CS..Hα-helixtrans-65-43.3177.200000111.8L29 L33 N56 R57 S61 L62 L63L29-A59 HydrophobicContact CD2-CB 4.02Å; L33-A59 HydrophobicContact CD1-CB 4.16Å; L33-A59 HydrophobicContact CD2-CB 3.94Å; L33-A59 HydrophobicContact CG-CB 4Å; N56-A59 HydrophobicContact CB-CB 4Å; N56-A59 WeakPolarHBondContact O-CB 3.3Å; N56-A59 PolarHBondContact O-N 3.36Å; R57-A59 VanDerWaalsContact C-N 3.35Å; A59-S61 PolarHBondContact O-N 3.38Å; A59-L62 PolarHBondContact O-N 2.82Å; A59-L63 VanDerWaalsContact O-CB 3.26Å; A59-L63 WeakPolarHBondContact O-CB 3.15Å; A59-L63 PolarHBondContact O-N 3.11Å
60L78.4Confident68Low15 Ų1565.5 Ų65.58%0.07933%0.331CS..Hα-helixtrans-66.3-37.6179-149.473.2000112.3L33 N56 R57 G64 C79 H82 L83L33-L60 HydrophobicContact CD1-CD1 3.89Å; L33-L60 HydrophobicContact CD2-CD1 4.4Å; N56-L60 PolarHBondContact O-N 3.01Å; R57-L60 PolarHBondContact O-N 3.43Å; L60-G64 PolarHBondContact O-N 3.26Å; L60-C79 HydrophobicContact CG-CB 4.44Å; L60-H82 HydrophobicContact CD2-CB 4.01Å; L60-H82 WeakPolarHBondContact CD2-ND1 3.42Å; L60-L83 HydrophobicContact CB-CD2 4.19Å; L60-L83 HydrophobicContact CB-CG 4.46Å; L60-L83 HydrophobicContact CD2-CD2 4.07Å; L60-L83 HydrophobicContact CD2-CG 4Å; L60-L83 HydrophobicContact CG-CG 4.5Å
61S82.7Confident69.8Low38 Ų3859.2 Ų59.227%0.26631%0.305SS..Hα-helixtrans-68.2-43176.3-173.90000112.3R57 A58 A59 L63 G64 Y65R57-S61 WeakPolarHBondContact O-CB 3.38Å; R57-S61 PolarHBondContact O-N 2.96Å; A58-S61 PolarHBondContact O-N 3.14Å; A59-S61 PolarHBondContact O-N 3.38Å; S61-L63 VanDerWaalsContact C-N 3.34Å; S61-G64 PolarHBondContact O-N 2.85Å; S61-Y65 PolarHBondContact O-N 3.25Å
62L83.5Confident71.9Confident30 Ų3058.2 Ų58.216%0.15729%0.293CS..Hα-helixtrans-69.7-34.7177.7-70.7172.1000111.4V13 Y14 I17 L29 A58 A59 Y65 C66V13-L62 HydrophobicContact CG1-CD1 4.16Å; Y14-L62 HydrophobicContact CE1-CD1 4.5Å; Y14-L62 HydrophobicContact CE1-CD2 4.06Å; Y14-L62 HydrophobicContact CE2-CD1 4.35Å; I17-L62 HydrophobicContact CD1-CB 4.48Å; I17-L62 HydrophobicContact CD1-CD2 3.91Å; L29-L62 HydrophobicContact CD1-CB 3.79Å; L29-L62 HydrophobicContact CD2-CB 4.32Å; A58-L62 WeakPolarHBondContact O-CB 3.22Å; A58-L62 VanDerWaalsContact O-CG 3.29Å; A58-L62 WeakPolarHBondContact O-CG 3.4Å; A58-L62 PolarHBondContact O-N 3.11Å; A59-L62 PolarHBondContact O-N 2.82Å; L62-Y65 PolarHBondContact O-N 3.04Å; L62-C66 PolarHBondContact O-N 3.39Å; L62-C66 PolarHBondContact O-SG 3.28Å
63L83.1Confident73.7Confident3 Ų356 Ų562%0.01628%0.284CS..Hα-helixtrans-64.9-47.3174.4-178.866.2000110.3A26 L29 N30 L33 A59 S61 Y65 C66 C67A26-L63 HydrophobicContact CB-CD1 4.05Å; L29-L63 HydrophobicContact CB-CB 4.31Å; L29-L63 HydrophobicContact CB-CD1 4.11Å; L29-L63 HydrophobicContact CD1-CB 4.32Å; N30-L63 VanDerWaalsContact OD1-CD2 3.27Å; N30-L63 WeakPolarHBondContact OD1-CD2 3.45Å; L33-L63 HydrophobicContact CD1-CD2 3.94Å; A59-L63 VanDerWaalsContact O-CB 3.26Å; A59-L63 WeakPolarHBondContact O-CB 3.15Å; A59-L63 PolarHBondContact O-N 3.11Å; S61-L63 VanDerWaalsContact C-N 3.34Å; L63-Y65 VanDerWaalsContact C-N 3.27Å; L63-Y65 PolarHBondContact O-N 3.04Å; L63-C66 PolarHBondContact O-N 2.97Å; L63-C67 WeakPolarHBondContact O-CB 3.42Å; L63-C67 PolarHBondContact O-N 3.04Å; L63-C67 PolarHBondContact O-SG 2.9Å
64G81.1Confident75.8Confident0 Ų053.9 Ų53.90%027%0.267CS..Hα-helixtrans-54.1-44.417300000112.1L60 S61 C67 V68L60-G64 PolarHBondContact O-N 3.26Å; S61-G64 PolarHBondContact O-N 2.85Å; G64-C67 WeakPolarHBondContact O-CB 3.49Å; G64-C67 PolarHBondContact O-N 2.92Å; G64-V68 WeakPolarHBondContact O-CG2 3.44Å; G64-V68 PolarHBondContact O-N 3.38Å
65Y82.1Confident77.2Confident98 Ų9843.7 Ų43.738%0.38422%0.222SC..Hα-helixtrans-63.1-46.7177.3-179.6-97.7000112.1I17 F22 S61 L62 L63 C67 V68 Q69 Y80I17-Y65 HydrophobicContact CG2-CD1 4.31Å; I17-Y65 HydrophobicContact CG2-CE1 3.87Å; F22-Y65 HydrophobicContact CE1-CE1 4.14Å; S61-Y65 PolarHBondContact O-N 3.25Å; L62-Y65 PolarHBondContact O-N 3.04Å; L63-Y65 VanDerWaalsContact C-N 3.27Å; L63-Y65 PolarHBondContact O-N 3.04Å; Y65-C67 VanDerWaalsContact C-N 3.29Å; Y65-C67 PolarHBondContact O-N 3.32Å; Y65-V68 PolarHBondContact O-N 2.95Å; Y65-Q69 HydrophobicContact CD1-CG 4.2Å; Y65-Q69 HydrophobicContact CE1-CG 3.81Å; Y65-Q69 HydrophobicContact CE2-CG 4.47Å; Y65-Q69 WeakPolarHBondContact O-CG 3.12Å; Y65-Q69 PolarHBondContact O-N 3.24Å; Y65-Q69 PolarHBondContact OH-NE2 2.94Å; Y65-Y80 WeakPolarHBondContact CA-OH 3.49Å; Y65-Y80 PolarHBondContact N-OH 3.41Å; Y65-Y80 VanDerWaalsContact N-OH 3.07Å
66C82.5Confident78.2Confident0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-60.5-40.5175.9-63.50000111.4A26 L62 L63 V68 Q69 L70A26-C66 HydrophobicContact CB-CB 4.06Å; L62-C66 PolarHBondContact O-N 3.39Å; L62-C66 PolarHBondContact O-SG 3.28Å; L63-C66 PolarHBondContact O-N 2.97Å; C66-V68 VanDerWaalsContact C-N 3.34Å; C66-V68 PolarHBondContact O-N 3.29Å; C66-Q69 PolarHBondContact O-N 3.4Å; C66-L70 WeakPolarHBondContact O-CB 3.23Å; C66-L70 VanDerWaalsContact O-CG 3.24Å; C66-L70 WeakPolarHBondContact O-CG 3.3Å; C66-L70 PolarHBondContact O-N 3.19Å
67C80.1Confident78.6Confident8 Ų837 Ų375%0.05419%0.189CC..Hα-helixtrans-61.3-40.1175.9-710000112.3L63 G64 Y65 L70 H71 N72 A76L63-C67 WeakPolarHBondContact O-CB 3.42Å; L63-C67 PolarHBondContact O-N 3.04Å; L63-C67 PolarHBondContact O-SG 2.9Å; G64-C67 WeakPolarHBondContact O-CB 3.49Å; G64-C67 PolarHBondContact O-N 2.92Å; Y65-C67 VanDerWaalsContact C-N 3.29Å; Y65-C67 PolarHBondContact O-N 3.32Å; C67-L70 CarbonylContact O-C 3.56Å; C67-L70 PolarHBondContact O-N 2.99Å; C67-H71 PolarHBondContact O-N 2.58Å; C67-N72 HydrophobicContact CB-CB 4.43Å; C67-N72 PolarHBondContact O-N 2.98Å; C67-A76 HydrophobicContact CB-CB 3.84Å
68V76.7Confident78.8Confident41 Ų4136.4 Ų36.425%0.24819%0.187CC..Hα-helixtrans-63.5-45.9174.7172.30000111.1G64 Y65 C66 L70 H71 A76 Y80G64-V68 WeakPolarHBondContact O-CG2 3.44Å; G64-V68 PolarHBondContact O-N 3.38Å; Y65-V68 PolarHBondContact O-N 2.95Å; C66-V68 VanDerWaalsContact C-N 3.34Å; C66-V68 PolarHBondContact O-N 3.29Å; V68-L70 PolarHBondContact O-N 3.47Å; V68-H71 PolarHBondContact O-N 3.3Å; V68-A76 HydrophobicContact CG2-CB 3.65Å; V68-Y80 HydrophobicContact CG2-CE2 3.92Å
69Q80.2Confident78.9Confident65 Ų6534.3 Ų34.330%0.30417%0.169SC..Hα-helixtrans-64.8-24.9178.2-62.6-59.1-34.400112.9F22 Y65 C66F22-Q69 HydrophobicContact CB-CB 4.36Å; F22-Q69 HydrophobicContact CD1-CB 3.83Å; F22-Q69 HydrophobicContact CD1-CG 3.98Å; F22-Q69 HydrophobicContact CD2-CB 3.66Å; F22-Q69 HydrophobicContact CD2-CG 4.42Å; F22-Q69 HydrophobicContact CE1-CB 3.97Å; F22-Q69 HydrophobicContact CE1-CG 3.71Å; F22-Q69 HydrophobicContact CE2-CB 3.79Å; F22-Q69 HydrophobicContact CE2-CG 4.17Å; F22-Q69 HydrophobicContact CG-CB 3.67Å; F22-Q69 HydrophobicContact CG-CG 4.33Å; F22-Q69 HydrophobicContact CZ-CB 3.94Å; F22-Q69 HydrophobicContact CZ-CG 3.8Å; Y65-Q69 HydrophobicContact CD1-CG 4.2Å; Y65-Q69 HydrophobicContact CE1-CG 3.81Å; Y65-Q69 HydrophobicContact CE2-CG 4.47Å; Y65-Q69 WeakPolarHBondContact O-CG 3.12Å; Y65-Q69 PolarHBondContact O-N 3.24Å; Y65-Q69 PolarHBondContact OH-NE2 2.94Å; C66-Q69 PolarHBondContact O-N 3.4Å
70L77.7Confident78.9Confident59 Ų5935 Ų3531%0.30917%0.171SC..THydrogen-bonded Turntrans-91.46.8175.6-67.2169.1000113.5F22 N23 A26 C66 C67 V68 N72F22-L70 HydrophobicContact CB-CD1 4.23Å; F22-L70 HydrophobicContact CB-CD2 3.93Å; F22-L70 HydrophobicContact CB-CG 3.85Å; N23-L70 HydrophobicContact CB-CD2 4.41Å; N23-L70 WeakPolarHBondContact OD1-CD1 3.33Å; A26-L70 HydrophobicContact CB-CD1 4.31Å; C66-L70 WeakPolarHBondContact O-CB 3.23Å; C66-L70 VanDerWaalsContact O-CG 3.24Å; C66-L70 WeakPolarHBondContact O-CG 3.3Å; C66-L70 PolarHBondContact O-N 3.19Å; C67-L70 CarbonylContact O-C 3.56Å; C67-L70 PolarHBondContact O-N 2.99Å; V68-L70 PolarHBondContact O-N 3.47Å; L70-N72 PolarHBondContact O-N 3.47Å; L70-N72 VanDerWaalsContact O-N 3.09Å
71H73.9Confident78.8Confident81 Ų8135.6 Ų35.638%0.37518%0.176SC..THydrogen-bonded Turntrans57.417.8-174.5-61.9-93.6000114.8C67 V68 F73C67-H71 PolarHBondContact O-N 2.58Å; V68-H71 PolarHBondContact O-N 3.3Å; H71-F73 VanDerWaalsContact C-N 3.27Å; H71-F73 HydrophobicContact CB-CE2 4.01Å; H71-F73 HydrophobicContact CB-CZ 4.28Å; H71-F73 AromaticContact ND1-CE2 3.9Å; H71-F73 AromaticContact ND1-CZ 3.65Å; H71-F73 WeakPolarHBondContact O-CD2 3.39Å; H71-F73 PolarHBondContact O-N 2.68Å
72N77.9Confident78.5Confident66 Ų6635.7 Ų35.735%0.35317%0.172SC..  trans-85.571.7171.4-174.2-3.6000109.8C67 L70 I74 G75 A76C67-N72 HydrophobicContact CB-CB 4.43Å; C67-N72 PolarHBondContact O-N 2.98Å; L70-N72 PolarHBondContact O-N 3.47Å; L70-N72 VanDerWaalsContact O-N 3.09Å; N72-I74 PolarHBondContact O-N 3.14Å; N72-G75 PolarHBondContact O-N 3.5Å; N72-G75 PolarHBondContact OD1-N 3.5Å; N72-A76 PolarHBondContact O-N 3.35Å
73F77.2Confident78Confident44 Ų4434.4 Ų34.419%0.19317%0.166CC..Hα-helixtrans-64.6-29-177.5-59.5-66000112.8H71 A76 S77 C113 K116 I117H71-F73 VanDerWaalsContact C-N 3.27Å; H71-F73 HydrophobicContact CB-CE2 4.01Å; H71-F73 HydrophobicContact CB-CZ 4.28Å; H71-F73 AromaticContact ND1-CE2 3.9Å; H71-F73 AromaticContact ND1-CZ 3.65Å; H71-F73 WeakPolarHBondContact O-CD2 3.39Å; H71-F73 PolarHBondContact O-N 2.68Å; F73-A76 PolarHBondContact O-N 2.81Å; F73-S77 WeakPolarHBondContact O-CB 3.47Å; F73-S77 PolarHBondContact O-N 3.46Å; F73-S77 PolarHBondContact O-OG 3.4Å; F73-C113 HydrophobicContact CB-CB 4.44Å; F73-K116 HydrophobicContact CB-CB 4.48Å; F73-K116 HydrophobicContact CD1-CB 3.99Å; F73-K116 HydrophobicContact CD1-CG 4.27Å; F73-K116 HydrophobicContact CD2-CB 3.82Å; F73-K116 HydrophobicContact CE1-CB 4.17Å; F73-K116 HydrophobicContact CE1-CG 4.05Å; F73-K116 HydrophobicContact CE2-CB 4Å; F73-K116 HydrophobicContact CE2-CG 4.43Å; F73-K116 HydrophobicContact CG-CB 3.83Å; F73-K116 HydrophobicContact CZ-CB 4.17Å; F73-K116 HydrophobicContact CZ-CG 4.13Å; F73-I117 HydrophobicContact CB-CD1 3.76Å; F73-I117 HydrophobicContact CB-CG1 3.57Å
74I78.8Confident77.6Confident70 Ų7035.9 Ų35.936%0.35918%0.175SC..Hα-helixtrans-66.6-47177.1-62.2169.1000110.1N72 A76 S77 R78 I117N72-I74 PolarHBondContact O-N 3.14Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-S77 PolarHBondContact O-OG 2.78Å; I74-R78 WeakPolarHBondContact O-CG 3.23Å; I74-R78 PolarHBondContact O-N 3.31Å; I74-I117 HydrophobicContact CB-CD1 4.41Å; I74-I117 HydrophobicContact CG1-CD1 3.75Å; I74-I117 HydrophobicContact CG1-CG1 4.19Å; I74-I117 HydrophobicContact CG1-CG2 4.34Å
75G73.8Confident77.1Confident1 Ų141.2 Ų41.21%0.0120%0.203CC..Hα-helixtrans-64.1-39.9175.100000112.1N72 C79N72-G75 PolarHBondContact O-N 3.5Å; N72-G75 PolarHBondContact OD1-N 3.5Å; G75-C79 PolarHBondContact O-N 3Å; G75-C79 PolarHBondContact O-SG 2.72Å
76A78.5Confident76.3Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-63.6-48.1177.300000112.4C67 V68 N72 F73 I74 R78 C79 Y80C67-A76 HydrophobicContact CB-CB 3.84Å; V68-A76 HydrophobicContact CG2-CB 3.65Å; N72-A76 PolarHBondContact O-N 3.35Å; F73-A76 PolarHBondContact O-N 2.81Å; I74-A76 VanDerWaalsContact C-N 3.34Å; A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 2.75Å; A76-C79 PolarHBondContact O-N 2.55Å; A76-C79 VanDerWaalsContact O-N 3.11Å; A76-Y80 HydrophobicContact CB-CD2 4.29Å; A76-Y80 HydrophobicContact CB-CE2 4.14Å; A76-Y80 WeakPolarHBondContact O-CD2 3.29Å; A76-Y80 PolarHBondContact O-N 3.19Å
77S77.6Confident75.2Confident6 Ų641.8 Ų41.84%0.04221%0.214CC..Hα-helixtrans-59.7-37.5-179.370.30000111.8F73 I74 S81F73-S77 WeakPolarHBondContact O-CB 3.47Å; F73-S77 PolarHBondContact O-N 3.46Å; F73-S77 PolarHBondContact O-OG 3.4Å; I74-S77 PolarHBondContact O-OG 2.78Å; S77-S81 WeakPolarHBondContact O-CB 3.46Å; S77-S81 PolarHBondContact O-N 3.41Å; S77-S81 PolarHBondContact O-OG 3.4Å
78R75.2Confident74Confident85 Ų8545.6 Ų45.632%0.32124%0.239SC..Hα-helixtrans-63.1-48.5173.9-69.6176.2-178.8-178.82.2112A38 T41 I74 A76 Y80 S81 H82A38-R78 PolarHBondContact O-NH1 2.98Å; T41-R78 PolarHBondContact O-NH1 3.33Å; T41-R78 PolarHBondContact O-NH2 2.92Å; I74-R78 WeakPolarHBondContact O-CG 3.23Å; I74-R78 PolarHBondContact O-N 3.31Å; A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 2.75Å; R78-Y80 PolarHBondContact O-N 3.46Å; R78-S81 PolarHBondContact O-N 3.23Å; R78-H82 WeakPolarHBondContact O-CB 3.42Å; R78-H82 PolarHBondContact O-N 2.93Å
79C77.9Confident72.5Confident8 Ų851.3 Ų51.35%0.05426%0.263CS..Hα-helixtrans-58.5-48.7178.9-65.30000110.9L60 G75 A76 H82 L83L60-C79 HydrophobicContact CG-CB 4.44Å; G75-C79 PolarHBondContact O-N 3Å; G75-C79 PolarHBondContact O-SG 2.72Å; A76-C79 PolarHBondContact O-N 2.55Å; A76-C79 VanDerWaalsContact O-N 3.11Å; C79-H82 PolarHBondContact O-N 3.36Å; C79-L83 WeakPolarHBondContact O-CG 3.45Å; C79-L83 PolarHBondContact O-N 3.27Å
80Y78.5Confident70.9Confident18 Ų1850.7 Ų50.77%0.07127%0.266CS..Hα-helixtrans-72.5-39.3-178-64.5-59.3000113Y65 V68 A76 R78 H82 L83 V84 L106 V109 T110Y65-Y80 WeakPolarHBondContact CA-OH 3.49Å; Y65-Y80 PolarHBondContact N-OH 3.41Å; Y65-Y80 VanDerWaalsContact N-OH 3.07Å; V68-Y80 HydrophobicContact CG2-CE2 3.92Å; A76-Y80 HydrophobicContact CB-CD2 4.29Å; A76-Y80 HydrophobicContact CB-CE2 4.14Å; A76-Y80 WeakPolarHBondContact O-CD2 3.29Å; A76-Y80 PolarHBondContact O-N 3.19Å; R78-Y80 PolarHBondContact O-N 3.46Å; Y80-H82 VanDerWaalsContact C-N 3.28Å; Y80-H82 PolarHBondContact O-N 2.86Å; Y80-L83 HydrophobicContact CD1-CD1 4.02Å; Y80-L83 HydrophobicContact CE1-CD1 4.5Å; Y80-L83 WeakPolarHBondContact O-CB 3.45Å; Y80-L83 PolarHBondContact O-N 2.84Å; Y80-L83 VanDerWaalsContact O-N 3.13Å; Y80-V84 WeakPolarHBondContact O-CG2 2.97Å; Y80-V84 PolarHBondContact O-N 3.41Å; Y80-L106 HydrophobicContact CD1-CD2 3.67Å; Y80-L106 HydrophobicContact CE1-CD2 4.35Å; Y80-V109 HydrophobicContact CD1-CG1 4.38Å; Y80-V109 HydrophobicContact CD2-CB 4.37Å; Y80-V109 HydrophobicContact CD2-CG1 3.46Å; Y80-V109 VanDerWaalsContact CD2-CG1 3.46Å; Y80-V109 HydrophobicContact CE1-CG1 4.22Å; Y80-V109 HydrophobicContact CE2-CB 4.46Å; Y80-V109 HydrophobicContact CE2-CG1 3.27Å; Y80-V109 HydrophobicContact CG-CG1 4.03Å; Y80-T110 WeakPolarHBondContact CB-OG1 3.42Å
81S75Confident69.4Low27 Ų2754.6 Ų54.619%0.18928%0.282CS..Hα-helixtrans-58.7-42.6173-62.40000111.2S77 R78 V84 L85 T110 Y114S77-S81 WeakPolarHBondContact O-CB 3.46Å; S77-S81 PolarHBondContact O-N 3.41Å; S77-S81 PolarHBondContact O-OG 3.4Å; R78-S81 PolarHBondContact O-N 3.23Å; S81-V84 PolarHBondContact O-N 2.85Å; S81-L85 WeakPolarHBondContact O-CG 3.46Å; S81-L85 PolarHBondContact O-N 3.17Å; S81-T110 WeakPolarHBondContact OG-CG2 3.27Å; S81-Y114 PolarHBondContact OG-OH 3.07Å
82H76.3Confident68.1Low39 Ų3962.1 Ų62.118%0.18131%0.307CS..Hα-helixtrans-64-42176.4-168.5-82000111.4L60 R78 C79 Y80 V84 L85 S86L60-H82 HydrophobicContact CD2-CB 4.01Å; L60-H82 WeakPolarHBondContact CD2-ND1 3.42Å; R78-H82 WeakPolarHBondContact O-CB 3.42Å; R78-H82 PolarHBondContact O-N 2.93Å; C79-H82 PolarHBondContact O-N 3.36Å; Y80-H82 VanDerWaalsContact C-N 3.28Å; Y80-H82 PolarHBondContact O-N 2.86Å; H82-V84 VanDerWaalsContact C-N 3.31Å; H82-V84 PolarHBondContact O-N 3.3Å; H82-L85 PolarHBondContact O-N 3.46Å; H82-S86 PolarHBondContact CE1-OG 3.38Å; H82-S86 PolarHBondContact ND1-OG 3.03Å; H82-S86 WeakPolarHBondContact O-CB 3.43Å; H82-S86 PolarHBondContact O-N 3.31Å; H82-S86 PolarHBondContact O-OG 3.18Å
83L74.7Confident66.6Low4 Ų463.9 Ų63.92%0.02131%0.31CS..Hα-helixtrans-59.9-38.9173.8-74.3171.2000112.5R57 L60 C79 Y80 Y87 L106R57-L83 HydrophobicContact CG-CD2 3.98Å; L60-L83 HydrophobicContact CB-CD2 4.19Å; L60-L83 HydrophobicContact CB-CG 4.46Å; L60-L83 HydrophobicContact CD2-CD2 4.07Å; L60-L83 HydrophobicContact CD2-CG 4Å; L60-L83 HydrophobicContact CG-CG 4.5Å; C79-L83 WeakPolarHBondContact O-CG 3.45Å; C79-L83 PolarHBondContact O-N 3.27Å; Y80-L83 HydrophobicContact CD1-CD1 4.02Å; Y80-L83 HydrophobicContact CE1-CD1 4.5Å; Y80-L83 WeakPolarHBondContact O-CB 3.45Å; Y80-L83 PolarHBondContact O-N 2.84Å; Y80-L83 VanDerWaalsContact O-N 3.13Å; L83-Y87 WeakPolarHBondContact O-CD2 3.33Å; L83-L106 HydrophobicContact CB-CD1 4.01Å; L83-L106 HydrophobicContact CB-CD2 3.81Å; L83-L106 HydrophobicContact CD1-CD2 3.72Å; L83-L106 HydrophobicContact CG-CD2 4.4Å
84V73.9Confident65Low33 Ų3369.1 Ų69.120%0.233%0.328CS..Hα-helixtrans-64.9-43.2176.6174.50000111.2Y80 S81 H82 L106Y80-V84 WeakPolarHBondContact O-CG2 2.97Å; Y80-V84 PolarHBondContact O-N 3.41Å; S81-V84 PolarHBondContact O-N 2.85Å; H82-V84 VanDerWaalsContact C-N 3.31Å; H82-V84 PolarHBondContact O-N 3.3Å; V84-L106 HydrophobicContact CG2-CB 3.69Å
85L71.1Confident63.6Low113 Ų11375.3 Ų75.359%0.59236%0.356SS*.Hα-helixtrans-76.3-31.9-177.1-68.9172.8000114S81 H82 Y87 P88S81-L85 WeakPolarHBondContact O-CG 3.46Å; S81-L85 PolarHBondContact O-N 3.17Å; H82-L85 PolarHBondContact O-N 3.46Å; L85-Y87 PolarHBondContact O-N 2.86Å; L85-P88 WeakPolarHBondContact O-CD 3.21Å
86S65.1Low62.5Low63 Ų6377.7 Ų77.744%0.44138%0.375SS..THydrogen-bonded Turntrans-74.8-10.3-175.4-54.60000114.1H82H82-S86 PolarHBondContact CE1-OG 3.38Å; H82-S86 PolarHBondContact ND1-OG 3.03Å; H82-S86 WeakPolarHBondContact O-CB 3.43Å; H82-S86 PolarHBondContact O-N 3.31Å; H82-S86 PolarHBondContact O-OG 3.18Å
87Y59.8Low61.6Low46 Ų4683.8 Ų83.818%0.1841%0.406CS..G310 helixtrans-87.1-3.3-166.9-116.1-88.4000119.3R57 L83 L85 H89 F99 Y102R57-Y87 WeakPolarHBondContact CD-OH 3.44Å; R57-Y87 HydrophobicContact CG-CE2 4.25Å; R57-Y87 PolarHBondContact NE-OH 3.48Å; R57-Y87 PolarHBondContact NH1-OH 2.98Å; L83-Y87 WeakPolarHBondContact O-CD2 3.33Å; L85-Y87 PolarHBondContact O-N 2.86Å; Y87-H89 VanDerWaalsContact C-N 3.3Å; Y87-H89 PolarHBondContact O-N 3.44Å; Y87-F99 HydrophobicContact CD1-CE2 4.13Å; Y87-Y102 HydrophobicContact CE2-CE1 4.18Å
88P54Low60.7Low89 Ų8989.1 Ų89.158%0.57843%0.434SS*.G310 helixtrans-77.5-3.3-176.228.2-30.2000115.5L85L85-P88 WeakPolarHBondContact O-CD 3.21Å
89H45Very low60.1Low161 Ų16188 Ų8875%0.74543%0.431SS*.G310 helixtrans-105.9-2.9-171.4-74-59.6000117.7Y87 E91Y87-H89 VanDerWaalsContact C-N 3.3Å; Y87-H89 PolarHBondContact O-N 3.44Å; H89-E91 PolarHBondContact O-N 3.48Å
90S48.1Very low59.4Low52 Ų5290.8 Ų90.836%0.36445%0.445SS..  trans-88.3109.3177.2730000112.1R92S90-R92 PolarHBondContact O-N 2.81Å; S90-R92 VanDerWaalsContact O-N 3.1Å
91E44.2Very low58.8Low141 Ų14193 Ų9366%0.65946%0.458SS*.G310 helixtrans-54.7-27.9-178.7-69.9-127.5112.900115H89 Y93 R94H89-E91 PolarHBondContact O-N 3.48Å; E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 PolarHBondContact O-N 3.43Å; E91-R94 IonicContact OE1-CZ 3.99Å; E91-R94 IonicContact OE1-NH1 2.77Å; E91-R94 PolarHBondContact OE1-NH1 3.42Å; E91-R94 IonicContact OE1-NH2 3.42Å; E91-R94 PolarHBondContact OE1-NH2 3.18Å
92R47.4Very low58.5Low239 Ų23994 Ų9490%0.90246%0.458SS*.G310 helixtrans-71.1-13.3-172.1-87.3-175.9174170.9-1.5116.2S90S90-R92 PolarHBondContact O-N 2.81Å; S90-R92 VanDerWaalsContact O-N 3.1Å
93Y46.2Very low58.3Low102 Ų10295.7 Ų95.740%0.447%0.465SS..G310 helixtrans-118.26.1-172.1-71.9-77.6000114.3E91 Q95 F99E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 PolarHBondContact O-N 3.43Å; Y93-Q95 PolarHBondContact O-N 3.14Å; Y93-F99 WeakPolarHBondContact O-CB 3.35Å
94R45Very low58Low155 Ų15596.3 Ų96.359%0.58547%0.468SS*.THydrogen-bonded Turntrans-64.8-3.5-169.9-155.3178.5-75.4134.8-7.1115E91E91-R94 IonicContact OE1-CZ 3.99Å; E91-R94 IonicContact OE1-NH1 2.77Å; E91-R94 PolarHBondContact OE1-NH1 3.42Å; E91-R94 IonicContact OE1-NH2 3.42Å; E91-R94 PolarHBondContact OE1-NH2 3.18Å
95Q47.7Very low58.1Low200 Ų20099.6 Ų99.694%0.93548%0.482SS*.THydrogen-bonded Turntrans-138.64.4-174.1-73.1-174.6-18.600117.2Y93Y93-Q95 PolarHBondContact O-N 3.14Å
96A52.1Low58.3Low51 Ų5194.4 Ų94.442%0.42146%0.455SS..  trans-105.3134.3-17400000112.5L98 F99A96-L98 HydrophobicContact CB-CB 4.37Å; A96-L98 PolarHBondContact O-N 2.82Å; A96-F99 WeakPolarHBondContact O-CB 3.23Å; A96-F99 PolarHBondContact O-N 3.34Å
97I59.2Low58.8Low127 Ų12791.9 Ų91.965%0.65144%0.437SS*.Hα-helixtrans-43.1-34.7168.6-70.9164.5000112.1F99 L100 L101I97-F99 VanDerWaalsContact C-N 3.31Å; I97-F99 PolarHBondContact O-N 2.89Å; I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 PolarHBondContact O-N 3.13Å; I97-L100 VanDerWaalsContact O-N 3.11Å; I97-L101 HydrophobicContact CG2-CD1 3.95Å; I97-L101 HydrophobicContact CG2-CG 4.28Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 3.29Å
98L57.6Low59.7Low118 Ų11891.9 Ų91.962%0.61844%0.44SS*.Hα-helixtrans-58.9-34.3175-159.176.4000114.3A96 Y102A96-L98 HydrophobicContact CB-CB 4.37Å; A96-L98 PolarHBondContact O-N 2.82Å; L98-Y102 WeakPolarHBondContact O-CB 3.35Å; L98-Y102 PolarHBondContact O-N 3.38Å
99F62.8Low60.9Low61 Ų6189.1 Ų89.127%0.26842%0.421SS..Hα-helixtrans-63.8-44.3173.7170-98.5000111Y87 Y93 A96 I97 Y102 K103Y87-F99 HydrophobicContact CD1-CE2 4.13Å; Y93-F99 WeakPolarHBondContact O-CB 3.35Å; A96-F99 WeakPolarHBondContact O-CB 3.23Å; A96-F99 PolarHBondContact O-N 3.34Å; I97-F99 VanDerWaalsContact C-N 3.31Å; I97-F99 PolarHBondContact O-N 2.89Å; F99-Y102 PolarHBondContact O-N 3.45Å; F99-K103 WeakPolarHBondContact O-CB 3.31Å; F99-K103 PolarHBondContact O-N 3.34Å
100L62.9Low62.7Low68 Ų6881.8 Ų81.836%0.35639%0.388SS..Hα-helixtrans-68.2-42.3-179-151.569.6000110.8I97 K103 L104 I132I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 PolarHBondContact O-N 3.13Å; I97-L100 VanDerWaalsContact O-N 3.11Å; L100-K103 PolarHBondContact O-N 2.75Å; L100-L104 VanDerWaalsContact O-CB 3.3Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 PolarHBondContact O-N 3.46Å; L100-I132 HydrophobicContact CB-CD1 4.46Å; L100-I132 HydrophobicContact CD1-CD1 4.47Å; L100-I132 HydrophobicContact CD2-CD1 3.31Å; L100-I132 HydrophobicContact CD2-CG1 3.59Å; L100-I132 HydrophobicContact CG-CD1 3.46Å; L100-I132 VanDerWaalsContact CG-CD1 3.46Å; L100-I132 HydrophobicContact CG-CG1 4.18Å
101L66.7Low64.3Low64 Ų6479.3 Ų79.334%0.33537%0.37SS..Hα-helixtrans-59-45.9173.5-74.4169.4000112.9I97 L104 M105 L135I97-L101 HydrophobicContact CG2-CD1 3.95Å; I97-L101 HydrophobicContact CG2-CG 4.28Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 3.29Å; L101-L104 WeakPolarHBondContact O-CB 3.47Å; L101-L104 PolarHBondContact O-N 3.26Å; L101-M105 WeakPolarHBondContact O-CB 3.33Å; L101-M105 PolarHBondContact O-N 3.5Å; L101-L135 HydrophobicContact CD2-CD1 4.15Å; L101-L135 HydrophobicContact CD2-CD2 3.54Å; L101-L135 HydrophobicContact CD2-CG 4.4Å
102Y69.6Low66.2Low48 Ų4876.1 Ų76.119%0.18836%0.356CS..Hα-helixtrans-67.9-40.1-180-177.2-102.4000112.1R57 Y87 L98 F99 L104 M105 L106R57-Y102 PolarHBondContact NE-OH 2.82Å; R57-Y102 VanDerWaalsContact NH2-CE2 3.27Å; R57-Y102 PolarHBondContact NH2-OH 3.32Å; Y87-Y102 HydrophobicContact CE2-CE1 4.18Å; L98-Y102 WeakPolarHBondContact O-CB 3.35Å; L98-Y102 PolarHBondContact O-N 3.38Å; F99-Y102 PolarHBondContact O-N 3.45Å; Y102-L104 VanDerWaalsContact C-N 3.33Å; Y102-M105 HydrophobicContact CD2-CE 3.78Å; Y102-M105 HydrophobicContact CE2-CE 3.75Å; Y102-M105 PolarHBondContact O-N 2.82Å; Y102-L106 HydrophobicContact CD1-CD1 3.68Å; Y102-L106 HydrophobicContact CD1-CG 4.47Å; Y102-L106 HydrophobicContact CE1-CD1 3.12Å; Y102-L106 HydrophobicContact CE1-CG 3.98Å; Y102-L106 HydrophobicContact CE2-CD1 4.49Å; Y102-L106 PolarHBondContact O-N 2.81Å
103K71.1Confident67.9Low75 Ų7564.9 Ų64.933%0.32631%0.314SS..Hα-helixtrans-63.3-40.8173.7-171178.5178.8-172.40111.1F99 L100 L106 S107 L130F99-K103 WeakPolarHBondContact O-CB 3.31Å; F99-K103 PolarHBondContact O-N 3.34Å; L100-K103 PolarHBondContact O-N 2.75Å; K103-L106 PolarHBondContact O-N 3.47Å; K103-S107 WeakPolarHBondContact O-CB 3.41Å; K103-S107 PolarHBondContact O-N 2.97Å; K103-L130 HydrophobicContact CD-CD2 4.2Å; K103-L130 HydrophobicContact CG-CD2 4.43Å
104L69.6Low69.6Low17 Ų1762.3 Ų62.39%0.08930%0.304CS..Hα-helixtrans-60.1-49.2174.7-172.871.2000111.8L100 L101 Y102 L106 S107 M108 L130 L135 M139L100-L104 VanDerWaalsContact O-CB 3.3Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 PolarHBondContact O-N 3.46Å; L101-L104 WeakPolarHBondContact O-CB 3.47Å; L101-L104 PolarHBondContact O-N 3.26Å; Y102-L104 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 3.49Å; L104-S107 PolarHBondContact O-N 2.75Å; L104-M108 WeakPolarHBondContact O-CB 3.27Å; L104-M108 PolarHBondContact O-N 2.84Å; L104-L130 HydrophobicContact CB-CD1 4.15Å; L104-L130 HydrophobicContact CD1-CB 3.9Å; L104-L130 HydrophobicContact CD1-CD1 3.61Å; L104-L130 HydrophobicContact CD1-CG 4.37Å; L104-L130 HydrophobicContact CG-CD1 4.49Å; L104-L135 WeakPolarHBondContact CD2-O 3.42Å; L104-M139 HydrophobicContact CD1-CE 3.57Å; L104-M139 HydrophobicContact CG-CE 4.34Å
105M74.6Confident71.4Confident101 Ų10157.1 Ų57.150%0.49829%0.285SS..Hα-helixtrans-58.9-45.4177.4-171.7-174.773.500111.9L101 Y102 M108 V109L101-M105 WeakPolarHBondContact O-CB 3.33Å; L101-M105 PolarHBondContact O-N 3.5Å; Y102-M105 HydrophobicContact CD2-CE 3.78Å; Y102-M105 HydrophobicContact CE2-CE 3.75Å; Y102-M105 PolarHBondContact O-N 2.82Å; M105-M108 PolarHBondContact O-N 3.46Å; M105-V109 VanDerWaalsContact O-CG2 3.31Å; M105-V109 WeakPolarHBondContact O-CG2 3.37Å; M105-V109 PolarHBondContact O-N 3.42Å
106L75.4Confident72.9Confident5 Ų553.4 Ų53.43%0.02627%0.266CS..Hα-helixtrans-64.1-42.3176.6-78.6167.9000112.8Y80 L83 V84 Y102 K103 L104 M108 V109 T110Y80-L106 HydrophobicContact CD1-CD2 3.67Å; Y80-L106 HydrophobicContact CE1-CD2 4.35Å; L83-L106 HydrophobicContact CB-CD1 4.01Å; L83-L106 HydrophobicContact CB-CD2 3.81Å; L83-L106 HydrophobicContact CD1-CD2 3.72Å; L83-L106 HydrophobicContact CG-CD2 4.4Å; V84-L106 HydrophobicContact CG2-CB 3.69Å; Y102-L106 HydrophobicContact CD1-CD1 3.68Å; Y102-L106 HydrophobicContact CD1-CG 4.47Å; Y102-L106 HydrophobicContact CE1-CD1 3.12Å; Y102-L106 HydrophobicContact CE1-CG 3.98Å; Y102-L106 HydrophobicContact CE2-CD1 4.49Å; Y102-L106 PolarHBondContact O-N 2.81Å; K103-L106 PolarHBondContact O-N 3.47Å; L104-L106 PolarHBondContact O-N 3.49Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-V109 PolarHBondContact O-N 3.05Å; L106-T110 WeakPolarHBondContact O-CB 3.5Å; L106-T110 PolarHBondContact O-N 3.26Å; L106-T110 PolarHBondContact O-OG1 3.4Å
107S76.5Confident74.1Confident9 Ų953 Ų536%0.06326%0.256CS..Hα-helixtrans-63.6-42.4177.5-146.50000110.9K103 L104 T110 A111 A126K103-S107 WeakPolarHBondContact O-CB 3.41Å; K103-S107 PolarHBondContact O-N 2.97Å; L104-S107 PolarHBondContact O-N 2.75Å; S107-T110 WeakPolarHBondContact O-CB 3.39Å; S107-T110 PolarHBondContact O-N 3.3Å; S107-A111 WeakPolarHBondContact O-CB 3.49Å; S107-A111 PolarHBondContact O-N 3.22Å; S107-A126 PolarHBondContact OG-O 3.28Å
108M77.8Confident75Confident47 Ų4750.4 Ų50.423%0.23224%0.241CC..Hα-helixtrans-61.6-48.3176.7-171.1-178.77900111.1L104 M105 L106 T110 A111 M112 D138 M139 L142L104-M108 WeakPolarHBondContact O-CB 3.27Å; L104-M108 PolarHBondContact O-N 2.84Å; M105-M108 PolarHBondContact O-N 3.46Å; L106-M108 VanDerWaalsContact C-N 3.33Å; M108-T110 VanDerWaalsContact C-N 3.28Å; M108-T110 PolarHBondContact O-N 3.43Å; M108-A111 PolarHBondContact O-N 3.06Å; M108-M112 HydrophobicContact CE-CE 3.99Å; M108-M112 HydrophobicContact CG-CE 4.24Å; M108-M112 WeakPolarHBondContact O-CB 3.24Å; M108-M112 VanDerWaalsContact O-CG 3.31Å; M108-M112 WeakPolarHBondContact O-CG 3.27Å; M108-M112 PolarHBondContact O-N 2.88Å; M108-D138 HydrophobicContact SD-CB 3.95Å; M108-M139 HydrophobicContact CB-CE 3.91Å; M108-M139 HydrophobicContact CB-SD 4.46Å; M108-M139 HydrophobicContact CG-CE 4.49Å; M108-L142 HydrophobicContact CG-CD2 4.34Å
109V80.3Confident76.2Confident31 Ų3148.4 Ų48.419%0.18823%0.229CC..Hα-helixtrans-63.1-38.1177.4179.80000111.3Y80 M105 L106 M112 C113Y80-V109 HydrophobicContact CD1-CG1 4.38Å; Y80-V109 HydrophobicContact CD2-CB 4.37Å; Y80-V109 HydrophobicContact CD2-CG1 3.46Å; Y80-V109 VanDerWaalsContact CD2-CG1 3.46Å; Y80-V109 HydrophobicContact CE1-CG1 4.22Å; Y80-V109 HydrophobicContact CE2-CB 4.46Å; Y80-V109 HydrophobicContact CE2-CG1 3.27Å; Y80-V109 HydrophobicContact CG-CG1 4.03Å; M105-V109 VanDerWaalsContact O-CG2 3.31Å; M105-V109 WeakPolarHBondContact O-CG2 3.37Å; M105-V109 PolarHBondContact O-N 3.42Å; L106-V109 PolarHBondContact O-N 3.05Å; V109-M112 HydrophobicContact CB-CE 4.23Å; V109-M112 HydrophobicContact CG2-CE 3.83Å; V109-M112 PolarHBondContact O-N 2.81Å; V109-C113 PolarHBondContact O-N 3.42Å; V109-C113 PolarHBondContact O-SG 3.2Å
110T81.2Confident77.2Confident6 Ų647.3 Ų47.34%0.03723%0.225CC..Hα-helixtrans-62.2-48.1174.8-54.70000111.3Y80 S81 L106 S107 M108 M112 C113 Y114Y80-T110 WeakPolarHBondContact CB-OG1 3.42Å; S81-T110 WeakPolarHBondContact OG-CG2 3.27Å; L106-T110 WeakPolarHBondContact O-CB 3.5Å; L106-T110 PolarHBondContact O-N 3.26Å; L106-T110 PolarHBondContact O-OG1 3.4Å; S107-T110 WeakPolarHBondContact O-CB 3.39Å; S107-T110 PolarHBondContact O-N 3.3Å; M108-T110 VanDerWaalsContact C-N 3.28Å; M108-T110 PolarHBondContact O-N 3.43Å; T110-M112 PolarHBondContact O-N 2.98Å; T110-C113 WeakPolarHBondContact O-CB 3.44Å; T110-C113 PolarHBondContact O-N 2.75Å; T110-Y114 HydrophobicContact CG2-CD2 3.94Å; T110-Y114 HydrophobicContact CG2-CE2 3.48Å; T110-Y114 VanDerWaalsContact CG2-CE2 3.48Å; T110-Y114 WeakPolarHBondContact O-CD2 3.44Å; T110-Y114 PolarHBondContact O-N 3.07Å
111A82.9Confident78.2Confident0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-62.2-41.9177.700000111.7S107 M108 C113 Y114 Y115 A126 L142S107-A111 WeakPolarHBondContact O-CB 3.49Å; S107-A111 PolarHBondContact O-N 3.22Å; M108-A111 PolarHBondContact O-N 3.06Å; A111-C113 VanDerWaalsContact C-N 3.32Å; A111-C113 PolarHBondContact O-N 2.72Å; A111-Y114 PolarHBondContact O-N 2.6Å; A111-Y115 VanDerWaalsContact O-CB 3.28Å; A111-Y115 WeakPolarHBondContact O-CB 3.32Å; A111-Y115 PolarHBondContact O-N 3.22Å; A111-A126 HydrophobicContact CB-CB 3.86Å; A111-L142 HydrophobicContact CB-CD2 3.6Å
112M84.2Confident79Confident74 Ų7449 Ų4937%0.36523%0.234SC..Hα-helixtrans-61.2-39.4173.7-73.4-170.5-65.500112M108 V109 T110 Y115 K116 L142M108-M112 HydrophobicContact CE-CE 3.99Å; M108-M112 HydrophobicContact CG-CE 4.24Å; M108-M112 WeakPolarHBondContact O-CB 3.24Å; M108-M112 VanDerWaalsContact O-CG 3.31Å; M108-M112 WeakPolarHBondContact O-CG 3.27Å; M108-M112 PolarHBondContact O-N 2.88Å; V109-M112 HydrophobicContact CB-CE 4.23Å; V109-M112 HydrophobicContact CG2-CE 3.83Å; V109-M112 PolarHBondContact O-N 2.81Å; T110-M112 PolarHBondContact O-N 2.98Å; M112-Y115 WeakPolarHBondContact O-CB 3.39Å; M112-Y115 PolarHBondContact O-N 2.94Å; M112-K116 VanDerWaalsContact O-CG 3.31Å; M112-K116 WeakPolarHBondContact O-CG 3.05Å; M112-K116 PolarHBondContact O-N 3.4Å; M112-L142 HydrophobicContact CG-CD1 4.14Å; M112-L142 HydrophobicContact CG-CD2 3.93Å
113C81.6Confident79.6Confident3 Ų346.7 Ų46.72%0.0223%0.225CC..Hα-helixtrans-64-46.1175-660000111.1F73 V109 T110 A111 Y115 K116 I117F73-C113 HydrophobicContact CB-CB 4.44Å; V109-C113 PolarHBondContact O-N 3.42Å; V109-C113 PolarHBondContact O-SG 3.2Å; T110-C113 WeakPolarHBondContact O-CB 3.44Å; T110-C113 PolarHBondContact O-N 2.75Å; A111-C113 VanDerWaalsContact C-N 3.32Å; A111-C113 PolarHBondContact O-N 2.72Å; C113-Y115 VanDerWaalsContact C-N 3.32Å; C113-Y115 PolarHBondContact O-N 3.44Å; C113-K116 PolarHBondContact O-N 2.96Å; C113-I117 VanDerWaalsContact O-CD1 3.24Å; C113-I117 WeakPolarHBondContact O-CD1 3.41Å; C113-I117 VanDerWaalsContact O-CG1 3.23Å; C113-I117 WeakPolarHBondContact O-CG1 3.32Å; C113-I117 PolarHBondContact O-N 3.1Å
114Y83.3Confident80.3Confident48 Ų4844.4 Ų44.419%0.18822%0.221CC..Hα-helixtrans-61.9-40.3175.3-72.9-52.1000112.5S81 T110 A111 I117 H118 M119 D122 A126S81-Y114 PolarHBondContact OG-OH 3.07Å; T110-Y114 HydrophobicContact CG2-CD2 3.94Å; T110-Y114 HydrophobicContact CG2-CE2 3.48Å; T110-Y114 VanDerWaalsContact CG2-CE2 3.48Å; T110-Y114 WeakPolarHBondContact O-CD2 3.44Å; T110-Y114 PolarHBondContact O-N 3.07Å; A111-Y114 PolarHBondContact O-N 2.6Å; Y114-I117 CarbonylContact O-C 3.47Å; Y114-I117 PolarHBondContact O-N 3.2Å; Y114-I117 VanDerWaalsContact O-N 3.15Å; Y114-H118 PolarHBondContact O-N 3.35Å; Y114-M119 HydrophobicContact CD1-CB 4.27Å; Y114-M119 HydrophobicContact CD1-SD 4.1Å; Y114-M119 HydrophobicContact CE1-SD 4.45Å; Y114-M119 PolarHBondContact O-N 2.95Å; Y114-D122 HydrophobicContact CD1-CB 4.37Å; Y114-D122 HydrophobicContact CD2-CB 4.36Å; Y114-D122 HydrophobicContact CG-CB 4.27Å; Y114-A126 HydrophobicContact CD2-CB 4.49Å
115Y82.7Confident81Confident46 Ų4649.4 Ų49.418%0.1824%0.241CC..Hα-helixtrans-59.3-46.8175.1174.7-102.4000111.7A111 M112 C113 I117 H118 F120 L142 A145 I146 D149A111-Y115 VanDerWaalsContact O-CB 3.28Å; A111-Y115 WeakPolarHBondContact O-CB 3.32Å; A111-Y115 PolarHBondContact O-N 3.22Å; M112-Y115 WeakPolarHBondContact O-CB 3.39Å; M112-Y115 PolarHBondContact O-N 2.94Å; C113-Y115 VanDerWaalsContact C-N 3.32Å; C113-Y115 PolarHBondContact O-N 3.44Å; Y115-I117 PolarHBondContact O-N 3.05Å; Y115-H118 WeakPolarHBondContact O-CA 3.23Å; Y115-H118 PolarHBondContact O-N 2.91Å; Y115-F120 HydrophobicContact CD2-CD1 4.01Å; Y115-F120 AromaticContact CD2-CE1 3.8Å; Y115-F120 HydrophobicContact CD2-CE1 3.8Å; Y115-F120 HydrophobicContact CE2-CD1 4.35Å; Y115-F120 AromaticContact CE2-CE1 3.8Å; Y115-F120 HydrophobicContact CE2-CE1 3.8Å; Y115-L142 HydrophobicContact CG-CD1 4.35Å; Y115-A145 HydrophobicContact CE2-CB 4.46Å; Y115-I146 HydrophobicContact CD2-CG1 3.72Å; Y115-I146 HydrophobicContact CE2-CG1 4.33Å; Y115-D149 WeakPolarHBondContact CE2-OD2 3.32Å; Y115-D149 PolarHBondContact OH-OD2 3.37Å
116K79Confident81.1Confident123 Ų12345.3 Ų45.354%0.53522%0.224SC..Hα-helixtrans-64.6-21.8176.4-69.1-65.8-176.4-175.40113.8F73 M112 C113F73-K116 HydrophobicContact CB-CB 4.48Å; F73-K116 HydrophobicContact CD1-CB 3.99Å; F73-K116 HydrophobicContact CD1-CG 4.27Å; F73-K116 HydrophobicContact CD2-CB 3.82Å; F73-K116 HydrophobicContact CE1-CB 4.17Å; F73-K116 HydrophobicContact CE1-CG 4.05Å; F73-K116 HydrophobicContact CE2-CB 4Å; F73-K116 HydrophobicContact CE2-CG 4.43Å; F73-K116 HydrophobicContact CG-CB 3.83Å; F73-K116 HydrophobicContact CZ-CB 4.17Å; F73-K116 HydrophobicContact CZ-CG 4.13Å; M112-K116 VanDerWaalsContact O-CG 3.31Å; M112-K116 WeakPolarHBondContact O-CG 3.05Å; M112-K116 PolarHBondContact O-N 3.4Å; C113-K116 PolarHBondContact O-N 2.96Å
117I78.1Confident81.3Confident43 Ų4345.3 Ų45.322%0.22122%0.224CC..THydrogen-bonded Turntrans-93.90173.8-50.2153.1000111F73 I74 C113 Y114 Y115 M119F73-I117 HydrophobicContact CB-CD1 3.76Å; F73-I117 HydrophobicContact CB-CG1 3.57Å; I74-I117 HydrophobicContact CB-CD1 4.41Å; I74-I117 HydrophobicContact CG1-CD1 3.75Å; I74-I117 HydrophobicContact CG1-CG1 4.19Å; I74-I117 HydrophobicContact CG1-CG2 4.34Å; C113-I117 VanDerWaalsContact O-CD1 3.24Å; C113-I117 WeakPolarHBondContact O-CD1 3.41Å; C113-I117 VanDerWaalsContact O-CG1 3.23Å; C113-I117 WeakPolarHBondContact O-CG1 3.32Å; C113-I117 PolarHBondContact O-N 3.1Å; Y114-I117 CarbonylContact O-C 3.47Å; Y114-I117 PolarHBondContact O-N 3.2Å; Y114-I117 VanDerWaalsContact O-N 3.15Å; Y115-I117 PolarHBondContact O-N 3.05Å; I117-M119 VanDerWaalsContact C-N 3.27Å; I117-M119 HydrophobicContact CG2-CG 4.36Å; I117-M119 PolarHBondContact O-N 2.71Å
118H77.8Confident80.8Confident71 Ų7147.7 Ų47.733%0.32925%0.25SS..THydrogen-bonded Turntrans63.226.3-177.5-53.8-91.6000115Y114 Y115 F120 R345Y114-H118 PolarHBondContact O-N 3.35Å; Y115-H118 WeakPolarHBondContact O-CA 3.23Å; Y115-H118 PolarHBondContact O-N 2.91Å; H118-F120 VanDerWaalsContact C-N 3.27Å; H118-F120 HydrophobicContact CB-CE2 4.19Å; H118-F120 HydrophobicContact CB-CZ 4.1Å; H118-F120 AromaticContact ND1-CZ 3.57Å; H118-F120 PolarHBondContact O-N 3.06Å; H118-F120 VanDerWaalsContact O-N 3.17Å; H118-R345 PolarHBondContact CD2-NH1 2.92Å; H118-R345 PolarHBondContact CD2-NH2 3.24Å; H118-R345 VanDerWaalsContact CD2-NH2 3.31Å; H118-R345 PolarHBondContact CE1-NH1 3.43Å; H118-R345 PolarHBondContact ND1-NH1 3.44Å; H118-R345 PolarHBondContact ND1-NH2 3.2Å; H118-R345 PolarHBondContact NE2-NH1 2.88Å
119M81.9Confident79.9Confident76 Ų7652.2 Ų52.237%0.37427%0.27SS..  trans-86.871.2168.8-65-174.276.600109.1Y114 I117 D121 D122 A123Y114-M119 HydrophobicContact CD1-CB 4.27Å; Y114-M119 HydrophobicContact CD1-SD 4.1Å; Y114-M119 HydrophobicContact CE1-SD 4.45Å; Y114-M119 PolarHBondContact O-N 2.95Å; I117-M119 VanDerWaalsContact C-N 3.27Å; I117-M119 HydrophobicContact CG2-CG 4.36Å; I117-M119 PolarHBondContact O-N 2.71Å; M119-D121 PolarHBondContact O-N 2.7Å; M119-D122 HydrophobicContact CB-CB 4.39Å; M119-D122 WeakPolarHBondContact CE-OD2 3.41Å; M119-D122 PolarHBondContact O-N 3.35Å; M119-A123 WeakPolarHBondContact O-CB 3.45Å; M119-A123 PolarHBondContact O-N 3.19Å
120F84.2Confident78.8Confident39 Ų3951.3 Ų51.317%0.17127%0.265CS..Hα-helixtrans-63.8-37.8-170.8-61.7-57.3000113.7Y115 H118 D122 A123 A124 I146 D149 I150Y115-F120 HydrophobicContact CD2-CD1 4.01Å; Y115-F120 AromaticContact CD2-CE1 3.8Å; Y115-F120 HydrophobicContact CD2-CE1 3.8Å; Y115-F120 HydrophobicContact CE2-CD1 4.35Å; Y115-F120 AromaticContact CE2-CE1 3.8Å; Y115-F120 HydrophobicContact CE2-CE1 3.8Å; H118-F120 VanDerWaalsContact C-N 3.27Å; H118-F120 HydrophobicContact CB-CE2 4.19Å; H118-F120 HydrophobicContact CB-CZ 4.1Å; H118-F120 AromaticContact ND1-CZ 3.57Å; H118-F120 PolarHBondContact O-N 3.06Å; H118-F120 VanDerWaalsContact O-N 3.17Å; F120-D122 PolarHBondContact O-N 3.36Å; F120-A123 PolarHBondContact O-N 2.79Å; F120-A124 WeakPolarHBondContact O-CB 3.28Å; F120-A124 PolarHBondContact O-N 2.73Å; F120-I146 HydrophobicContact CB-CG2 4.01Å; F120-I146 HydrophobicContact CD1-CG2 4.23Å; F120-D149 HydrophobicContact CE1-CB 3.66Å; F120-D149 HydrophobicContact CE2-CB 4.3Å; F120-D149 HydrophobicContact CZ-CB 3.53Å; F120-I150 HydrophobicContact CB-CD1 3.44Å; F120-I150 VanDerWaalsContact CB-CD1 3.44Å; F120-I150 HydrophobicContact CB-CG1 3.88Å; F120-I150 HydrophobicContact CD2-CD1 4.28Å; F120-I150 HydrophobicContact CD2-CG1 3.72Å; F120-I150 HydrophobicContact CE2-CG1 4.38Å; F120-I150 HydrophobicContact CG-CD1 3.97Å; F120-I150 HydrophobicContact CG-CG1 3.84Å
121D84.2Confident77.4Confident113 Ų11355.9 Ų55.960%0.60430%0.303SS*.Hα-helixtrans-63.9-42.6177.7-69.4-31.7000111.9M119 A124 K125M119-D121 PolarHBondContact O-N 2.7Å; D121-A124 PolarHBondContact O-N 3.25Å; D121-K125 WeakPolarHBondContact O-CB 3.17Å; D121-K125 VanDerWaalsContact O-CG 3.23Å; D121-K125 WeakPolarHBondContact O-CG 3.41Å; D121-K125 PolarHBondContact O-N 2.96Å
122D82.2Confident76.2Confident54 Ų5457.3 Ų57.329%0.28931%0.31SS..Hα-helixtrans-74.6-32.6179.4-67.2-27.8000111.7Y114 M119 F120 K125 A126Y114-D122 HydrophobicContact CD1-CB 4.37Å; Y114-D122 HydrophobicContact CD2-CB 4.36Å; Y114-D122 HydrophobicContact CG-CB 4.27Å; M119-D122 HydrophobicContact CB-CB 4.39Å; M119-D122 WeakPolarHBondContact CE-OD2 3.41Å; M119-D122 PolarHBondContact O-N 3.35Å; F120-D122 PolarHBondContact O-N 3.36Å; D122-K125 IonicContact OD1-NZ 3.83Å; D122-K125 PolarHBondContact OD1-NZ 3.45Å; D122-A126 WeakPolarHBondContact O-CB 3.18Å; D122-A126 PolarHBondContact O-N 2.94Å
123A83.9Confident74.9Confident0 Ų059.3 Ų59.30%033%0.329CS..Hα-helixtrans-61.3-48.216900000111.2M119 F120 K125 A126 C127 I146M119-A123 WeakPolarHBondContact O-CB 3.45Å; M119-A123 PolarHBondContact O-N 3.19Å; F120-A123 PolarHBondContact O-N 2.79Å; A123-K125 PolarHBondContact O-N 3.22Å; A123-A126 WeakPolarHBondContact O-CB 3.22Å; A123-A126 PolarHBondContact O-N 3Å; A123-A126 VanDerWaalsContact O-N 3.16Å; A123-C127 PolarHBondContact O-N 3.43Å; A123-C127 PolarHBondContact O-SG 3.36Å; A123-I146 HydrophobicContact CB-CD1 3.66Å; A123-I146 HydrophobicContact CB-CG1 4.24Å
124A84.6Confident73.6Confident27 Ų2766.5 Ų66.522%0.22337%0.367CS..Hα-helixtrans-63.1-42.2178.600000112F120 D121 A126 C127 G128 M143 I146F120-A124 WeakPolarHBondContact O-CB 3.28Å; F120-A124 PolarHBondContact O-N 2.73Å; D121-A124 PolarHBondContact O-N 3.25Å; A124-A126 VanDerWaalsContact C-N 3.33Å; A124-A126 PolarHBondContact O-N 3.4Å; A124-C127 WeakPolarHBondContact O-CB 3.17Å; A124-C127 PolarHBondContact O-N 3.36Å; A124-G128 PolarHBondContact O-N 3.3Å; A124-M143 HydrophobicContact CB-CE 4.29Å; A124-M143 HydrophobicContact CB-SD 4.1Å; A124-I146 HydrophobicContact CB-CG2 4.45Å
125K83.9Confident72.3Confident121 Ų12168.1 Ų68.153%0.52638%0.378SS..Hα-helixtrans-59.8-42.7172.8-72.2169.8-156.71570111.4D121 D122 A123 C127 G128 H129D121-K125 WeakPolarHBondContact O-CB 3.17Å; D121-K125 VanDerWaalsContact O-CG 3.23Å; D121-K125 WeakPolarHBondContact O-CG 3.41Å; D121-K125 PolarHBondContact O-N 2.96Å; D122-K125 IonicContact OD1-NZ 3.83Å; D122-K125 PolarHBondContact OD1-NZ 3.45Å; A123-K125 PolarHBondContact O-N 3.22Å; K125-C127 VanDerWaalsContact C-N 3.26Å; K125-C127 PolarHBondContact O-N 2.86Å; K125-G128 PolarHBondContact O-N 3.47Å; K125-H129 PolarHBondContact O-CE1 3.09Å; K125-H129 PolarHBondContact O-ND1 3.34Å
126A78.3Confident71.9Confident15 Ų1566.6 Ų66.612%0.12437%0.373CS..Hα-helixtrans-63.7-31.4177.600000112.4S107 A111 Y114 D122 A123 A124S107-A126 PolarHBondContact OG-O 3.28Å; A111-A126 HydrophobicContact CB-CB 3.86Å; Y114-A126 HydrophobicContact CD2-CB 4.49Å; D122-A126 WeakPolarHBondContact O-CB 3.18Å; D122-A126 PolarHBondContact O-N 2.94Å; A123-A126 WeakPolarHBondContact O-CB 3.22Å; A123-A126 PolarHBondContact O-N 3Å; A123-A126 VanDerWaalsContact O-N 3.16Å; A124-A126 VanDerWaalsContact C-N 3.33Å; A124-A126 PolarHBondContact O-N 3.4Å
127C78.1Confident71.9Confident6 Ų662.7 Ų62.74%0.04136%0.361CS..Hα-helixtrans-73.3-37.2172.3-61.20000113A123 A124 K125 H129 M139 M143A123-C127 PolarHBondContact O-N 3.43Å; A123-C127 PolarHBondContact O-SG 3.36Å; A124-C127 WeakPolarHBondContact O-CB 3.17Å; A124-C127 PolarHBondContact O-N 3.36Å; K125-C127 VanDerWaalsContact C-N 3.26Å; K125-C127 PolarHBondContact O-N 2.86Å; C127-H129 VanDerWaalsContact C-N 3.28Å; C127-H129 PolarHBondContact O-N 2.85Å; C127-M139 HydrophobicContact CB-CG 3.99Å; C127-M139 HydrophobicContact CB-SD 3.75Å; C127-M139 PolarHBondContact SG-SD 3.39Å; C127-M143 HydrophobicContact CB-CE 3.41Å; C127-M143 VanDerWaalsContact CB-CE 3.41Å
128G66.8Low72Confident59 Ų5965 Ų6561%0.60837%0.374SS*.Hα-helixtrans-68.8-12.7-17100000116.6A124 K125 L130A124-G128 PolarHBondContact O-N 3.3Å; K125-G128 PolarHBondContact O-N 3.47Å; G128-L130 VanDerWaalsContact C-N 3.26Å; G128-L130 PolarHBondContact O-N 2.9Å
129H59.4Low72.2Confident142 Ų14262 Ų6266%0.65736%0.36SS*.THydrogen-bonded Turntrans-78.9-1-175.7-7580.8000114.6K125 C127K125-H129 PolarHBondContact O-CE1 3.09Å; K125-H129 PolarHBondContact O-ND1 3.34Å; C127-H129 VanDerWaalsContact C-N 3.28Å; C127-H129 PolarHBondContact O-N 2.85Å
130L55.9Low72.4Confident12 Ų1259.7 Ų59.76%0.06335%0.349CS..  trans-138.188.4-169.4-65.4168.2000111K103 L104 G128 I132 N136K103-L130 HydrophobicContact CD-CD2 4.2Å; K103-L130 HydrophobicContact CG-CD2 4.43Å; L104-L130 HydrophobicContact CB-CD1 4.15Å; L104-L130 HydrophobicContact CD1-CB 3.9Å; L104-L130 HydrophobicContact CD1-CD1 3.61Å; L104-L130 HydrophobicContact CD1-CG 4.37Å; L104-L130 HydrophobicContact CG-CD1 4.49Å; G128-L130 VanDerWaalsContact C-N 3.26Å; G128-L130 PolarHBondContact O-N 2.9Å; L130-I132 PolarHBondContact O-N 3.39Å; L130-N136 PolarHBondContact O-ND2 2.88Å
131A53.2Low72.6Confident102 Ų10258.9 Ų58.984%0.84335%0.345SS*.  trans-9092.2170.400000109.7
132I56.2Low72.8Confident29 Ų2954.4 Ų54.415%0.14932%0.321CS..  trans-120.2108.7169.7-49.2159.1000106.4L100 L130 D134 L135L100-I132 HydrophobicContact CB-CD1 4.46Å; L100-I132 HydrophobicContact CD1-CD1 4.47Å; L100-I132 HydrophobicContact CD2-CD1 3.31Å; L100-I132 HydrophobicContact CD2-CG1 3.59Å; L100-I132 HydrophobicContact CG-CD1 3.46Å; L100-I132 VanDerWaalsContact CG-CD1 3.46Å; L100-I132 HydrophobicContact CG-CG1 4.18Å; L130-I132 PolarHBondContact O-N 3.39Å; I132-D134 VanDerWaalsContact C-N 3.28Å; I132-D134 PolarHBondContact O-N 3.22Å; I132-L135 HydrophobicContact CB-CB 4.48Å; I132-L135 HydrophobicContact CG2-CB 4.03Å; I132-L135 HydrophobicContact CG2-CD1 4.37Å
133P56.7Low73.1Confident116 Ų11652.7 Ų52.775%0.75331%0.312SS*.THydrogen-bonded Turntrans-56.7-36.3-169.6-25.932.9000114.5
134D55.7Low73.4Confident154 Ų15452.9 Ų52.982%0.82431%0.313SS*.THydrogen-bonded Turntrans-100.7-5.4-167.5-58-35.9000115.1I132I132-D134 VanDerWaalsContact C-N 3.28Å; I132-D134 PolarHBondContact O-N 3.22Å
135L56.4Low73.6Confident83 Ų8352.9 Ų52.944%0.43531%0.313SS..SBendtrans-122.615-167.7-95.1154.8000114.1L101 L104 I132L101-L135 HydrophobicContact CD2-CD1 4.15Å; L101-L135 HydrophobicContact CD2-CD2 3.54Å; L101-L135 HydrophobicContact CD2-CG 4.4Å; L104-L135 WeakPolarHBondContact CD2-O 3.42Å; I132-L135 HydrophobicContact CB-CB 4.48Å; I132-L135 HydrophobicContact CG2-CB 4.03Å; I132-L135 HydrophobicContact CG2-CD1 4.37Å
136N72.6Confident73.8Confident14 Ų1447.2 Ų47.28%0.07529%0.288CS..  trans-11714.4-163.1-135.921000115.7L130 D138 M139 H140L130-N136 PolarHBondContact O-ND2 2.88Å; N136-D138 VanDerWaalsContact C-N 3.31Å; N136-D138 PolarHBondContact O-N 3.36Å; N136-M139 HydrophobicContact CB-CB 4.45Å; N136-M139 VanDerWaalsContact CG-CB 3.46Å; N136-M139 PolarHBondContact O-N 3.12Å; N136-M139 WeakPolarHBondContact OD1-CB 3.12Å; N136-H140 PolarHBondContact O-N 3.23Å; N136-H140 PolarHBondContact O-ND1 3.26Å
137S80Confident74.4Confident40 Ų4048.9 Ų48.928%0.2829%0.293SS..Hα-helixtrans-52.1-47.7-178.4-169.70000112.2M139 H140 K141S137-M139 VanDerWaalsContact C-N 3.33Å; S137-M139 PolarHBondContact O-N 2.9Å; S137-H140 PolarHBondContact O-N 2.74Å; S137-K141 WeakPolarHBondContact O-CG 3.32Å; S137-K141 PolarHBondContact O-N 2.81Å
138D80.7Confident74.9Confident93 Ų9351.3 Ų51.350%0.49730%0.302SS..Hα-helixtrans-67.2-31.7179.7-63.2-33.2000113.4M108 N136 K141 L142M108-D138 HydrophobicContact SD-CB 3.95Å; N136-D138 VanDerWaalsContact C-N 3.31Å; N136-D138 PolarHBondContact O-N 3.36Å; D138-K141 PolarHBondContact O-N 2.87Å; D138-K141 WeakPolarHBondContact OD1-CE 3.38Å; D138-K141 IonicContact OD1-NZ 3.37Å; D138-K141 PolarHBondContact OD1-NZ 3.19Å; D138-L142 WeakPolarHBondContact O-CB 3.31Å; D138-L142 PolarHBondContact O-N 2.76Å
139M81.7Confident75.7Confident6 Ų651 Ų513%0.0329%0.286CS..Hα-helixtrans-74.6-36.5175.6-162.971.180.700111.5L104 M108 C127 N136 S137 K141 L142 M143L104-M139 HydrophobicContact CD1-CE 3.57Å; L104-M139 HydrophobicContact CG-CE 4.34Å; M108-M139 HydrophobicContact CB-CE 3.91Å; M108-M139 HydrophobicContact CB-SD 4.46Å; M108-M139 HydrophobicContact CG-CE 4.49Å; C127-M139 HydrophobicContact CB-CG 3.99Å; C127-M139 HydrophobicContact CB-SD 3.75Å; C127-M139 PolarHBondContact SG-SD 3.39Å; N136-M139 HydrophobicContact CB-CB 4.45Å; N136-M139 VanDerWaalsContact CG-CB 3.46Å; N136-M139 PolarHBondContact O-N 3.12Å; N136-M139 WeakPolarHBondContact OD1-CB 3.12Å; S137-M139 VanDerWaalsContact C-N 3.33Å; S137-M139 PolarHBondContact O-N 2.9Å; M139-K141 VanDerWaalsContact C-N 3.35Å; M139-L142 PolarHBondContact O-N 2.79Å; M139-L142 HydrophobicContact SD-CD2 4.31Å; M139-M143 WeakPolarHBondContact O-CB 3.44Å; M139-M143 PolarHBondContact O-N 2.76Å
140H86.4Confident76.9Confident29 Ų2948 Ų4813%0.13427%0.274CS..Hα-helixtrans-63.3-42.3171.1-68.6134000110.6N136 S137 L142 M143 A144 Y159 C163N136-H140 PolarHBondContact O-N 3.23Å; N136-H140 PolarHBondContact O-ND1 3.26Å; S137-H140 PolarHBondContact O-N 2.74Å; H140-L142 PolarHBondContact O-N 3.48Å; H140-M143 PolarHBondContact O-N 3.19Å; H140-A144 VanDerWaalsContact O-CB 3.32Å; H140-A144 WeakPolarHBondContact O-CB 3.34Å; H140-A144 PolarHBondContact O-N 2.95Å; H140-Y159 AromaticContact CD2-CD1 3.83Å; H140-C163 VanDerWaalsContact CB-SG 3.58Å
141K88.6Confident78.3Confident22 Ų2250.7 Ų50.710%0.09629%0.288CS..Hα-helixtrans-59-44.9171.3-71.5-174.4-65.8-1670111.8S137 D138 M139 M143 A144 A145 D167 D169S137-K141 WeakPolarHBondContact O-CG 3.32Å; S137-K141 PolarHBondContact O-N 2.81Å; D138-K141 PolarHBondContact O-N 2.87Å; D138-K141 WeakPolarHBondContact OD1-CE 3.38Å; D138-K141 IonicContact OD1-NZ 3.37Å; D138-K141 PolarHBondContact OD1-NZ 3.19Å; M139-K141 VanDerWaalsContact C-N 3.35Å; K141-M143 PolarHBondContact O-N 2.65Å; K141-A144 WeakPolarHBondContact O-CB 3.38Å; K141-A144 PolarHBondContact O-N 3.03Å; K141-A145 WeakPolarHBondContact O-CB 3.33Å; K141-A145 PolarHBondContact O-N 3.35Å; K141-D167 IonicContact NZ-OD1 2.82Å; K141-D167 IonicContact NZ-OD2 3.71Å; K141-D167 PolarHBondContact NZ-OD2 3.06Å; K141-D169 HydrophobicContact CD-CB 3.78Å; K141-D169 IonicContact NZ-OD2 2.7Å; K141-D169 PolarHBondContact NZ-OD2 3.19Å
142L88.1Confident80Confident18 Ų1848 Ų489%0.09426%0.26CS..Hα-helixtrans-64-41.2176.5-178.659.2000112.2M108 A111 M112 Y115 D138 M139 H140 A145 I146M108-L142 HydrophobicContact CG-CD2 4.34Å; A111-L142 HydrophobicContact CB-CD2 3.6Å; M112-L142 HydrophobicContact CG-CD1 4.14Å; M112-L142 HydrophobicContact CG-CD2 3.93Å; Y115-L142 HydrophobicContact CG-CD1 4.35Å; D138-L142 WeakPolarHBondContact O-CB 3.31Å; D138-L142 PolarHBondContact O-N 2.76Å; M139-L142 PolarHBondContact O-N 2.79Å; M139-L142 HydrophobicContact SD-CD2 4.31Å; H140-L142 PolarHBondContact O-N 3.48Å; L142-A145 PolarHBondContact O-N 3.15Å; L142-I146 HydrophobicContact CD1-CD1 4.48Å; L142-I146 HydrophobicContact CG-CD1 4.14Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.24Å; L142-I146 PolarHBondContact O-N 3.22Å
143M88Confident81.6Confident19 Ų1947.9 Ų47.99%0.09426%0.259CS..Hα-helixtrans-65.7-40.9175.4-170.263.877.200111.3A124 C127 M139 H140 K141 A145 I146 K147 Y159A124-M143 HydrophobicContact CB-CE 4.29Å; A124-M143 HydrophobicContact CB-SD 4.1Å; C127-M143 HydrophobicContact CB-CE 3.41Å; C127-M143 VanDerWaalsContact CB-CE 3.41Å; M139-M143 WeakPolarHBondContact O-CB 3.44Å; M139-M143 PolarHBondContact O-N 2.76Å; H140-M143 PolarHBondContact O-N 3.19Å; K141-M143 PolarHBondContact O-N 2.65Å; M143-A145 VanDerWaalsContact C-N 3.31Å; M143-A145 PolarHBondContact O-N 2.9Å; M143-I146 PolarHBondContact O-N 3.07Å; M143-K147 HydrophobicContact CG-CG 4.49Å; M143-K147 WeakPolarHBondContact O-CB 3.24Å; M143-K147 VanDerWaalsContact O-CG 3.26Å; M143-K147 WeakPolarHBondContact O-CG 3.36Å; M143-K147 PolarHBondContact O-N 2.82Å; M143-Y159 HydrophobicContact CB-CD1 4.35Å; M143-Y159 HydrophobicContact CB-CD2 4.17Å; M143-Y159 HydrophobicContact CB-CE1 4.48Å; M143-Y159 HydrophobicContact CB-CE2 4.33Å; M143-Y159 HydrophobicContact CB-CG 4.19Å; M143-Y159 HydrophobicContact CG-CD1 4.11Å; M143-Y159 HydrophobicContact CG-CD2 3.54Å; M143-Y159 HydrophobicContact CG-CE1 3.86Å; M143-Y159 HydrophobicContact CG-CE2 3.26Å; M143-Y159 HydrophobicContact CG-CG 3.97Å; M143-Y159 VanDerWaalsContact CG-CZ 3.43Å; M143-Y159 HydrophobicContact SD-CE2 4.42Å
144A89.8Confident83.3Confident3 Ų347 Ų473%0.02525%0.254CS..Hα-helixtrans-60.2-41.4173.900000111.3H140 K141 K147 Y148 S156 L160H140-A144 VanDerWaalsContact O-CB 3.32Å; H140-A144 WeakPolarHBondContact O-CB 3.34Å; H140-A144 PolarHBondContact O-N 2.95Å; K141-A144 WeakPolarHBondContact O-CB 3.38Å; K141-A144 PolarHBondContact O-N 3.03Å; A144-K147 PolarHBondContact O-N 3.48Å; A144-Y148 WeakPolarHBondContact O-CB 3.23Å; A144-Y148 PolarHBondContact O-N 3.23Å; A144-S156 PolarHBondContact O-OG 3.41Å; A144-L160 HydrophobicContact CB-CD2 3.55Å; A144-L160 HydrophobicContact CB-CG 3.8Å
145A89.9Confident84.9Confident28 Ų2841.4 Ų41.423%0.23123%0.227CC..Hα-helixtrans-65.7-42.5175.300000112.7Y115 K141 L142 M143 K147 Y148 D149Y115-A145 HydrophobicContact CE2-CB 4.46Å; K141-A145 WeakPolarHBondContact O-CB 3.33Å; K141-A145 PolarHBondContact O-N 3.35Å; L142-A145 PolarHBondContact O-N 3.15Å; M143-A145 VanDerWaalsContact C-N 3.31Å; M143-A145 PolarHBondContact O-N 2.9Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 3.46Å; A145-Y148 WeakPolarHBondContact O-CB 3.45Å; A145-Y148 PolarHBondContact O-N 3.18Å; A145-D149 PolarHBondContact O-N 3.09Å
146I87.8Confident86.6Confident1 Ų137.5 Ų37.51%0.00521%0.207CC..Hα-helixtrans-59.6-46.9173.8-69.2161.6000110.4Y115 F120 A123 A124 L142 M143 D149 I150Y115-I146 HydrophobicContact CD2-CG1 3.72Å; Y115-I146 HydrophobicContact CE2-CG1 4.33Å; F120-I146 HydrophobicContact CB-CG2 4.01Å; F120-I146 HydrophobicContact CD1-CG2 4.23Å; A123-I146 HydrophobicContact CB-CD1 3.66Å; A123-I146 HydrophobicContact CB-CG1 4.24Å; A124-I146 HydrophobicContact CB-CG2 4.45Å; L142-I146 HydrophobicContact CD1-CD1 4.48Å; L142-I146 HydrophobicContact CG-CD1 4.14Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.24Å; L142-I146 PolarHBondContact O-N 3.22Å; M143-I146 PolarHBondContact O-N 3.07Å; I146-D149 PolarHBondContact O-N 2.9Å; I146-I150 HydrophobicContact CG2-CD1 3.97Å; I146-I150 WeakPolarHBondContact O-CG1 3.33Å; I146-I150 PolarHBondContact O-N 3.38Å
147K89.5Confident87.5Confident51 Ų5139.7 Ų39.722%0.22222%0.215CC..Hα-helixtrans-67-37.8179-69.3-59.7-170.5165.30112.6M143 A144 A145 D149 I150 N151 D152 Y159M143-K147 HydrophobicContact CG-CG 4.49Å; M143-K147 WeakPolarHBondContact O-CB 3.24Å; M143-K147 VanDerWaalsContact O-CG 3.26Å; M143-K147 WeakPolarHBondContact O-CG 3.36Å; M143-K147 PolarHBondContact O-N 2.82Å; A144-K147 PolarHBondContact O-N 3.48Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 3.46Å; K147-D149 VanDerWaalsContact C-N 3.34Å; K147-D149 PolarHBondContact O-N 3.17Å; K147-I150 PolarHBondContact O-N 2.95Å; K147-N151 PolarHBondContact O-N 2.91Å; K147-D152 HydrophobicContact CB-CB 4.47Å; K147-D152 HydrophobicContact CD-CB 4.15Å; K147-D152 WeakPolarHBondContact CD-OD2 3.47Å; K147-D152 IonicContact NZ-OD2 3Å; K147-D152 PolarHBondContact NZ-OD2 2.98Å; K147-D152 VanDerWaalsContact NZ-OD2 3.16Å; K147-D152 PolarHBondContact O-N 3.19Å; K147-Y159 HydrophobicContact CG-CD2 4.32Å; K147-Y159 HydrophobicContact CG-CE2 4.17Å
148Y89.1Confident88Confident56 Ų5640 Ų4022%0.2222%0.221CC..Hα-helixtrans-57.9-46.4173178-93.9000111A144 A145 I150 N151 L153 C176 I177 K180A144-Y148 WeakPolarHBondContact O-CB 3.23Å; A144-Y148 PolarHBondContact O-N 3.23Å; A145-Y148 WeakPolarHBondContact O-CB 3.45Å; A145-Y148 PolarHBondContact O-N 3.18Å; Y148-I150 PolarHBondContact O-N 3.46Å; Y148-N151 PolarHBondContact O-N 3.41Å; Y148-N151 VanDerWaalsContact O-N 3.12Å; Y148-L153 HydrophobicContact CD2-CD2 3.94Å; Y148-L153 HydrophobicContact CE2-CD2 4.43Å; Y148-C176 HydrophobicContact CE2-CB 4.29Å; Y148-C176 WeakPolarHBondContact CE2-O 3.42Å; Y148-C176 PolarHBondContact OH-O 3.24Å; Y148-I177 HydrophobicContact CD2-CG1 4.09Å; Y148-I177 HydrophobicContact CE2-CG1 4.48Å; Y148-K180 HydrophobicContact CD1-CD 4.44Å; Y148-K180 HydrophobicContact CD2-CD 3.93Å; Y148-K180 HydrophobicContact CE1-CD 3.94Å; Y148-K180 HydrophobicContact CE2-CB 3.68Å; Y148-K180 HydrophobicContact CE2-CD 3.34Å; Y148-K180 HydrophobicContact CE2-CG 4.15Å; Y148-K180 HydrophobicContact CG-CD 4.44Å; Y148-K180 PolarHBondContact O-NZ 3.04Å
149D84.3Confident88.4Confident54 Ų5439 Ų3929%0.28921%0.211SC..Hα-helixtrans-69.8-29.6-179-79.5-11.5000114.2Y115 F120 A145 I146 K147 N151Y115-D149 WeakPolarHBondContact CE2-OD2 3.32Å; Y115-D149 PolarHBondContact OH-OD2 3.37Å; F120-D149 HydrophobicContact CE1-CB 3.66Å; F120-D149 HydrophobicContact CE2-CB 4.3Å; F120-D149 HydrophobicContact CZ-CB 3.53Å; A145-D149 PolarHBondContact O-N 3.09Å; I146-D149 PolarHBondContact O-N 2.9Å; K147-D149 VanDerWaalsContact C-N 3.34Å; K147-D149 PolarHBondContact O-N 3.17Å; D149-N151 PolarHBondContact O-N 2.88Å
150I85.2Confident88.8Confident79 Ų7938.8 Ų38.841%0.40521%0.209SC..THydrogen-bonded Turntrans-81.64.5174.2-57163.5000111.9F120 I146 K147 Y148 D152F120-I150 HydrophobicContact CB-CD1 3.44Å; F120-I150 VanDerWaalsContact CB-CD1 3.44Å; F120-I150 HydrophobicContact CB-CG1 3.88Å; F120-I150 HydrophobicContact CD2-CD1 4.28Å; F120-I150 HydrophobicContact CD2-CG1 3.72Å; F120-I150 HydrophobicContact CE2-CG1 4.38Å; F120-I150 HydrophobicContact CG-CD1 3.97Å; F120-I150 HydrophobicContact CG-CG1 3.84Å; I146-I150 HydrophobicContact CG2-CD1 3.97Å; I146-I150 WeakPolarHBondContact O-CG1 3.33Å; I146-I150 PolarHBondContact O-N 3.38Å; K147-I150 PolarHBondContact O-N 2.95Å; Y148-I150 PolarHBondContact O-N 3.46Å; I150-D152 VanDerWaalsContact C-N 3.25Å; I150-D152 PolarHBondContact O-N 3.23Å
151N83.9Confident88.8Confident67 Ų6741.1 Ų41.136%0.35823%0.229SC..THydrogen-bonded Turntrans63.422.6-174.9-68.6-6.9000114.7K147 Y148 D149 L153 K180K147-N151 PolarHBondContact O-N 2.91Å; Y148-N151 PolarHBondContact O-N 3.41Å; Y148-N151 VanDerWaalsContact O-N 3.12Å; D149-N151 PolarHBondContact O-N 2.88Å; N151-L153 PolarHBondContact O-N 3.14Å; N151-K180 WeakPolarHBondContact OD1-CE 3.5Å; N151-K180 PolarHBondContact OD1-NZ 3.07Å
152D88.8Confident88.7Confident46 Ų4645.5 Ų45.525%0.24625%0.249CC..  trans-92.768.7173-176.74.9000110.1K147 I150 P154 S155 S156K147-D152 HydrophobicContact CB-CB 4.47Å; K147-D152 HydrophobicContact CD-CB 4.15Å; K147-D152 WeakPolarHBondContact CD-OD2 3.47Å; K147-D152 IonicContact NZ-OD2 3Å; K147-D152 PolarHBondContact NZ-OD2 2.98Å; K147-D152 VanDerWaalsContact NZ-OD2 3.16Å; K147-D152 PolarHBondContact O-N 3.19Å; I150-D152 VanDerWaalsContact C-N 3.25Å; I150-D152 PolarHBondContact O-N 3.23Å; D152-P154 VanDerWaalsContact C-CD 3.49Å; D152-S155 VanDerWaalsContact CG-CB 3.41Å; D152-S155 PolarHBondContact O-N 3.48Å; D152-S155 VanDerWaalsContact OD1-CB 3.3Å; D152-S155 WeakPolarHBondContact OD1-CB 3.17Å; D152-S155 PolarHBondContact OD1-N 3.11Å; D152-S155 PolarHBondContact OD1-OG 3.21Å; D152-S155 WeakPolarHBondContact OD2-CB 3.41Å; D152-S155 PolarHBondContact OD2-OG 2.97Å; D152-S156 PolarHBondContact O-N 2.97Å
153L90.6Very high88.5Confident26 Ų2645 Ų4514%0.13625%0.248CC..Hα-helixtrans-60.7-40.1-177.5-60-177.5000114.1Y148 N151 S155 S156 K157 K180 E181Y148-L153 HydrophobicContact CD2-CD2 3.94Å; Y148-L153 HydrophobicContact CE2-CD2 4.43Å; N151-L153 PolarHBondContact O-N 3.14Å; L153-S155 PolarHBondContact O-N 3.23Å; L153-S156 WeakPolarHBondContact O-CB 3.42Å; L153-S156 PolarHBondContact O-N 3.2Å; L153-K157 WeakPolarHBondContact O-CG 3.37Å; L153-K157 PolarHBondContact O-N 3.29Å; L153-K180 HydrophobicContact CD1-CG 4.5Å; L153-K180 HydrophobicContact CD2-CB 4.5Å; L153-K180 HydrophobicContact CD2-CD 4.14Å; L153-K180 HydrophobicContact CD2-CG 4.41Å; L153-E181 HydrophobicContact CD1-CG 3.62Å
154P92.8Very high88.3Confident97 Ų9747.3 Ų47.363%0.6327%0.266SS*.Hα-helixtrans-60-44177.5-24.235.2000112.5D152 K157 A158D152-P154 VanDerWaalsContact C-CD 3.49Å; P154-K157 PolarHBondContact O-N 3.37Å; P154-A158 PolarHBondContact O-N 2.8Å; P154-A158 VanDerWaalsContact O-N 3.1Å
155S89.8Confident87.7Confident37 Ų3752.7 Ų52.726%0.25929%0.294SS..Hα-helixtrans-66.8-38.5175.6-61.10000111.7D152 L153 K157 A158 Y159D152-S155 VanDerWaalsContact CG-CB 3.41Å; D152-S155 PolarHBondContact O-N 3.48Å; D152-S155 VanDerWaalsContact OD1-CB 3.3Å; D152-S155 WeakPolarHBondContact OD1-CB 3.17Å; D152-S155 PolarHBondContact OD1-N 3.11Å; D152-S155 PolarHBondContact OD1-OG 3.21Å; D152-S155 WeakPolarHBondContact OD2-CB 3.41Å; D152-S155 PolarHBondContact OD2-OG 2.97Å; L153-S155 PolarHBondContact O-N 3.23Å; S155-K157 PolarHBondContact O-N 2.68Å; S155-A158 PolarHBondContact O-N 3.14Å; S155-Y159 WeakPolarHBondContact O-CD2 3.49Å; S155-Y159 PolarHBondContact O-N 3.41Å; S155-Y159 VanDerWaalsContact O-N 3.16Å
156S90.6Very high87.2Confident2 Ų258.3 Ų58.31%0.01432%0.32CS..Hα-helixtrans-57.9-48.3176-170.20000111.5A144 D152 L153 A158 Y159 L160 I177A144-S156 PolarHBondContact O-OG 3.41Å; D152-S156 PolarHBondContact O-N 2.97Å; L153-S156 WeakPolarHBondContact O-CB 3.42Å; L153-S156 PolarHBondContact O-N 3.2Å; S156-A158 VanDerWaalsContact C-N 3.33Å; S156-A158 PolarHBondContact O-N 3.2Å; S156-Y159 PolarHBondContact O-N 3.16Å; S156-L160 PolarHBondContact O-N 3.1Å; S156-L160 VanDerWaalsContact O-N 3.13Å; S156-I177 WeakPolarHBondContact OG-CD1 3.38Å
157K92.6Very high87Confident59 Ų5960 Ų6026%0.25733%0.329SS..Hα-helixtrans-59.2-41174.8-71-178.3173.6178.70112.7L153 P154 S155 Y159 L160 S161 W174 I177 E181L153-K157 WeakPolarHBondContact O-CG 3.37Å; L153-K157 PolarHBondContact O-N 3.29Å; P154-K157 PolarHBondContact O-N 3.37Å; S155-K157 PolarHBondContact O-N 2.68Å; K157-Y159 VanDerWaalsContact C-N 3.25Å; K157-Y159 PolarHBondContact O-N 3.18Å; K157-L160 PolarHBondContact O-N 3.49Å; K157-S161 PolarHBondContact O-N 2.99Å; K157-S161 PolarHBondContact O-OG 2.95Å; K157-W174 HydrophobicContact CB-CH2 3.96Å; K157-W174 HydrophobicContact CB-CZ3 4.26Å; K157-W174 HydrophobicContact CD-CH2 4.38Å; K157-W174 HydrophobicContact CD-CZ3 3.95Å; K157-W174 HydrophobicContact CG-CH2 3.99Å; K157-W174 HydrophobicContact CG-CZ3 3.76Å; K157-I177 HydrophobicContact CD-CG2 4.25Å; K157-I177 HydrophobicContact CG-CD1 3.85Å; K157-I177 HydrophobicContact CG-CG2 3.96Å; K157-E181 VanDerWaalsContact CE-OE1 3.24Å; K157-E181 WeakPolarHBondContact CE-OE1 3.38Å; K157-E181 WeakPolarHBondContact CE-OE2 3.41Å; K157-E181 IonicContact NZ-OE1 3.25Å; K157-E181 PolarHBondContact NZ-OE1 3.06Å; K157-E181 IonicContact NZ-OE2 3.44Å; K157-E181 PolarHBondContact NZ-OE2 3.21Å
158A90.8Very high86.7Confident48 Ų4862.3 Ų62.340%0.39734%0.339SS..Hα-helixtrans-64.8-27.7179.600000113.3P154 S155 S156 S161 Q162P154-A158 PolarHBondContact O-N 2.8Å; P154-A158 VanDerWaalsContact O-N 3.1Å; S155-A158 PolarHBondContact O-N 3.14Å; S156-A158 VanDerWaalsContact C-N 3.33Å; S156-A158 PolarHBondContact O-N 3.2Å; A158-S161 PolarHBondContact O-OG 2.97Å; A158-Q162 PolarHBondContact O-NE2 3.27Å
159Y88.1Confident86.5Confident72 Ų7262.9 Ų62.928%0.28235%0.346SS..Hα-helixtrans-80.6-39.2172.9-73.5-64.4000112.3H140 M143 K147 S155 S156 K157 S161 Q162H140-Y159 AromaticContact CD2-CD1 3.83Å; M143-Y159 HydrophobicContact CB-CD1 4.35Å; M143-Y159 HydrophobicContact CB-CD2 4.17Å; M143-Y159 HydrophobicContact CB-CE1 4.48Å; M143-Y159 HydrophobicContact CB-CE2 4.33Å; M143-Y159 HydrophobicContact CB-CG 4.19Å; M143-Y159 HydrophobicContact CG-CD1 4.11Å; M143-Y159 HydrophobicContact CG-CD2 3.54Å; M143-Y159 HydrophobicContact CG-CE1 3.86Å; M143-Y159 HydrophobicContact CG-CE2 3.26Å; M143-Y159 HydrophobicContact CG-CG 3.97Å; M143-Y159 VanDerWaalsContact CG-CZ 3.43Å; M143-Y159 HydrophobicContact SD-CE2 4.42Å; K147-Y159 HydrophobicContact CG-CD2 4.32Å; K147-Y159 HydrophobicContact CG-CE2 4.17Å; S155-Y159 WeakPolarHBondContact O-CD2 3.49Å; S155-Y159 PolarHBondContact O-N 3.41Å; S155-Y159 VanDerWaalsContact O-N 3.16Å; S156-Y159 PolarHBondContact O-N 3.16Å; K157-Y159 VanDerWaalsContact C-N 3.25Å; K157-Y159 PolarHBondContact O-N 3.18Å; Y159-S161 VanDerWaalsContact C-N 3.32Å; Y159-S161 PolarHBondContact O-N 2.97Å; Y159-Q162 WeakPolarHBondContact O-CB 3.3Å; Y159-Q162 PolarHBondContact O-N 3.46Å
160L89.1Confident86.7Confident1 Ų160.3 Ų60.31%0.00533%0.332CS..Hα-helixtrans-66.8-31.3177.4-66.6-174.9000113.3A144 S156 K157 Q162 C163 N170 N173 W174 I177A144-L160 HydrophobicContact CB-CD2 3.55Å; A144-L160 HydrophobicContact CB-CG 3.8Å; S156-L160 PolarHBondContact O-N 3.1Å; S156-L160 VanDerWaalsContact O-N 3.13Å; K157-L160 PolarHBondContact O-N 3.49Å; L160-Q162 PolarHBondContact O-N 2.9Å; L160-C163 WeakPolarHBondContact O-CB 3.48Å; L160-C163 PolarHBondContact O-N 2.86Å; L160-N170 WeakPolarHBondContact CB-OD1 3.33Å; L160-N170 WeakPolarHBondContact CD2-OD1 3.36Å; L160-N170 PolarHBondContact O-ND2 3.09Å; L160-N170 PolarHBondContact O-OD1 3.1Å; L160-N173 HydrophobicContact CD1-CB 3.58Å; L160-N173 HydrophobicContact CD2-CB 3.76Å; L160-N173 HydrophobicContact CG-CB 4.35Å; L160-W174 HydrophobicContact CB-CZ2 4.15Å; L160-W174 HydrophobicContact CD1-CD2 4.4Å; L160-W174 HydrophobicContact CD1-CG 4.34Å; L160-I177 HydrophobicContact CD1-CD1 3.42Å; L160-I177 VanDerWaalsContact CD1-CD1 3.42Å; L160-I177 HydrophobicContact CD1-CG1 4.4Å; L160-I177 HydrophobicContact CG-CD1 4.4Å
161S87.6Confident87Confident77 Ų7758 Ų5854%0.53832%0.32SS..THydrogen-bonded Turntrans-66.9-14.9175.265.40000113.7K157 A158 Y159K157-S161 PolarHBondContact O-N 2.99Å; K157-S161 PolarHBondContact O-OG 2.95Å; A158-S161 PolarHBondContact O-OG 2.97Å; Y159-S161 VanDerWaalsContact C-N 3.32Å; Y159-S161 PolarHBondContact O-N 2.97Å
162Q85.7Confident87.3Confident114 Ų11456.7 Ų56.753%0.53331%0.312SS..THydrogen-bonded Turntrans-90.6-7.5174.6-61.6172.648.500112.5A158 Y159 L160A158-Q162 PolarHBondContact O-NE2 3.27Å; Y159-Q162 WeakPolarHBondContact O-CB 3.3Å; Y159-Q162 PolarHBondContact O-N 3.46Å; L160-Q162 PolarHBondContact O-N 2.9Å
163C84.4Confident87.5Confident9 Ų956.8 Ų56.86%0.06131%0.312CS..SBendtrans-87.3158.6174.1-62.90000110.9H140 L160 N170H140-C163 VanDerWaalsContact CB-SG 3.58Å; L160-C163 WeakPolarHBondContact O-CB 3.48Å; L160-C163 PolarHBondContact O-N 2.86Å; C163-N170 HydrophobicContact CB-CB 4.26Å
164S83.4Confident87.6Confident67 Ų6758.5 Ų58.547%0.46932%0.317SS..  trans-65.2139.2175.3-178.80000111.3D166 D167 N170S164-D166 PolarHBondContact O-N 3.22Å; S164-D166 PolarHBondContact OG-N 2.93Å; S164-D167 WeakPolarHBondContact O-CB 3.16Å; S164-D167 PolarHBondContact O-N 3.37Å; S164-N170 PolarHBondContact O-ND2 2.89Å
165N78.3Confident87.6Confident116 Ų11653.9 Ų53.962%0.6229%0.287SS*.THydrogen-bonded Turntrans-72.6-15.5173.9-68.1-21000113.1D167N165-D167 VanDerWaalsContact C-N 3.32Å
166D79.1Confident87.8Confident146 Ų14653.5 Ų53.578%0.78128%0.284SS*.THydrogen-bonded Turntrans-83.4-10.9175.2-69.5-24.6000112.3S164 K168S164-D166 PolarHBondContact O-N 3.22Å; S164-D166 PolarHBondContact OG-N 2.93Å; D166-K168 PolarHBondContact O-N 2.79Å
167D82.4Confident87.9Confident35 Ų3553.5 Ų53.519%0.18728%0.284CS..  trans-75.2116.1175.6-172.7-2.5000110.2K141 S164 N165 D169 N170 E171K141-D167 IonicContact NZ-OD1 2.82Å; K141-D167 IonicContact NZ-OD2 3.71Å; K141-D167 PolarHBondContact NZ-OD2 3.06Å; S164-D167 WeakPolarHBondContact O-CB 3.16Å; S164-D167 PolarHBondContact O-N 3.37Å; N165-D167 VanDerWaalsContact C-N 3.32Å; D167-D169 PolarHBondContact O-N 3.05Å; D167-D169 PolarHBondContact OD1-N 3.09Å; D167-N170 HydrophobicContact CB-CB 4Å; D167-N170 WeakPolarHBondContact O-CB 3.43Å; D167-N170 PolarHBondContact O-N 2.68Å; D167-E171 PolarHBondContact O-N 2.68Å
168K84.4Confident88Confident101 Ų10151.3 Ų51.344%0.43928%0.276SS..Hα-helixtrans-58.1-3317765.8178.4-174.5170.50112.7D166 N170 E171 M172 T194D166-K168 PolarHBondContact O-N 2.79Å; K168-N170 VanDerWaalsContact C-N 3.28Å; K168-N170 PolarHBondContact O-N 3.22Å; K168-E171 PolarHBondContact O-N 3.26Å; K168-M172 PolarHBondContact O-N 2.94Å; K168-T194 HydrophobicContact CB-CG2 4.44Å
169D85.5Confident88.2Confident67 Ų6751.2 Ų51.236%0.35827%0.267SS..Hα-helixtrans-71.2-32.1-179.6-60.2-16.3000110K141 D167 N173K141-D169 HydrophobicContact CD-CB 3.78Å; K141-D169 IonicContact NZ-OD2 2.7Å; K141-D169 PolarHBondContact NZ-OD2 3.19Å; D167-D169 PolarHBondContact O-N 3.05Å; D167-D169 PolarHBondContact OD1-N 3.09Å; D169-N173 WeakPolarHBondContact O-CB 3.45Å; D169-N173 PolarHBondContact O-N 3.23Å; D169-N173 PolarHBondContact O-ND2 3.05Å
170N88.3Confident88.2Confident1 Ų150.6 Ų50.61%0.00527%0.265CS..Hα-helixtrans-67.2-46.3175.8-168.233.7000110.8L160 C163 S164 D167 K168 M172 N173 W174L160-N170 WeakPolarHBondContact CB-OD1 3.33Å; L160-N170 WeakPolarHBondContact CD2-OD1 3.36Å; L160-N170 PolarHBondContact O-ND2 3.09Å; L160-N170 PolarHBondContact O-OD1 3.1Å; C163-N170 HydrophobicContact CB-CB 4.26Å; S164-N170 PolarHBondContact O-ND2 2.89Å; D167-N170 HydrophobicContact CB-CB 4Å; D167-N170 WeakPolarHBondContact O-CB 3.43Å; D167-N170 PolarHBondContact O-N 2.68Å; K168-N170 VanDerWaalsContact C-N 3.28Å; K168-N170 PolarHBondContact O-N 3.22Å; N170-M172 VanDerWaalsContact C-N 3.3Å; N170-M172 PolarHBondContact O-N 3.16Å; N170-N173 PolarHBondContact O-N 2.86Å; N170-W174 VanDerWaalsContact O-CD1 3.23Å; N170-W174 PolarHBondContact O-N 2.66Å
171E90.4Very high88.3Confident31 Ų3154.6 Ų54.615%0.14528%0.284CS..Hα-helixtrans-58.4-42.5175.1-171.669.8-166.100111.7D167 K168 W174 G175 H190 T194D167-E171 PolarHBondContact O-N 2.68Å; K168-E171 PolarHBondContact O-N 3.26Å; E171-W174 PolarHBondContact O-N 3.39Å; E171-G175 PolarHBondContact O-N 3.03Å; E171-G175 VanDerWaalsContact O-N 3.12Å; E171-H190 IonicContact OE1-CE1 2.62Å; E171-H190 IonicContact OE1-CG 2.88Å; E171-H190 IonicContact OE1-ND1 3.16Å; E171-H190 PolarHBondContact OE1-ND1 3.42Å; E171-T194 VanDerWaalsContact CG-OG1 3.23Å; E171-T194 WeakPolarHBondContact CG-OG1 3.5Å
172M90.4Very high88.4Confident38 Ų3855.2 Ų55.219%0.18728%0.279CS..Hα-helixtrans-62.6-44.3175.5-169.6175.9-179.500111.7K168 N170 W174 G175 C176 F191 T194 D203 D207K168-M172 PolarHBondContact O-N 2.94Å; N170-M172 VanDerWaalsContact C-N 3.3Å; N170-M172 PolarHBondContact O-N 3.16Å; M172-W174 VanDerWaalsContact C-N 3.33Å; M172-W174 PolarHBondContact O-N 3.35Å; M172-G175 WeakPolarHBondContact O-CA 3.38Å; M172-G175 PolarHBondContact O-N 3.49Å; M172-G175 VanDerWaalsContact O-N 3.1Å; M172-C176 PolarHBondContact O-N 3.18Å; M172-C176 PolarHBondContact O-SG 3.38Å; M172-F191 HydrophobicContact CG-CD1 4.41Å; M172-F191 HydrophobicContact CG-CE1 4.17Å; M172-F191 WeakPolarHBondContact O-CE1 3.47Å; M172-T194 HydrophobicContact CB-CG2 4.36Å; M172-D203 HydrophobicContact CE-CB 4.18Å; M172-D207 WeakPolarHBondContact CE-OD2 3.26Å
173N92.1Very high88.8Confident48 Ų4853 Ų5326%0.25727%0.271SS..Hα-helixtrans-63.3-36.3177.6-70.5-33.8000112.6L160 D169 N170 G175 C176 I177L160-N173 HydrophobicContact CD1-CB 3.58Å; L160-N173 HydrophobicContact CD2-CB 3.76Å; L160-N173 HydrophobicContact CG-CB 4.35Å; D169-N173 WeakPolarHBondContact O-CB 3.45Å; D169-N173 PolarHBondContact O-N 3.23Å; D169-N173 PolarHBondContact O-ND2 3.05Å; N170-N173 PolarHBondContact O-N 2.86Å; N173-G175 VanDerWaalsContact C-N 3.34Å; N173-C176 PolarHBondContact O-N 3.08Å; N173-I177 WeakPolarHBondContact O-CG1 3Å; N173-I177 PolarHBondContact O-N 3.3Å
174W93Very high89.3Confident62 Ų6254.7 Ų54.724%0.23528%0.277CS..Hα-helixtrans-60.8-43.9171.1-83.3105.1000111.6K157 L160 N170 E171 M172 C176 I177 C178K157-W174 HydrophobicContact CB-CH2 3.96Å; K157-W174 HydrophobicContact CB-CZ3 4.26Å; K157-W174 HydrophobicContact CD-CH2 4.38Å; K157-W174 HydrophobicContact CD-CZ3 3.95Å; K157-W174 HydrophobicContact CG-CH2 3.99Å; K157-W174 HydrophobicContact CG-CZ3 3.76Å; L160-W174 HydrophobicContact CB-CZ2 4.15Å; L160-W174 HydrophobicContact CD1-CD2 4.4Å; L160-W174 HydrophobicContact CD1-CG 4.34Å; N170-W174 VanDerWaalsContact O-CD1 3.23Å; N170-W174 PolarHBondContact O-N 2.66Å; E171-W174 PolarHBondContact O-N 3.39Å; M172-W174 VanDerWaalsContact C-N 3.33Å; M172-W174 PolarHBondContact O-N 3.35Å; W174-C176 VanDerWaalsContact C-N 3.34Å; W174-C176 PolarHBondContact O-N 2.81Å; W174-I177 PolarHBondContact O-N 2.87Å; W174-C178 PolarHBondContact O-N 3.4Å; W174-C178 PolarHBondContact O-SG 3.5Å; W174-C178 VanDerWaalsContact O-SG 3.41Å
175G93.3Very high89.9Confident0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-55.2-46.5172.300000112.8E171 M172 N173 I177 C178 F179 A187 F191E171-G175 PolarHBondContact O-N 3.03Å; E171-G175 VanDerWaalsContact O-N 3.12Å; M172-G175 WeakPolarHBondContact O-CA 3.38Å; M172-G175 PolarHBondContact O-N 3.49Å; M172-G175 VanDerWaalsContact O-N 3.1Å; N173-G175 VanDerWaalsContact C-N 3.34Å; G175-I177 PolarHBondContact O-N 3.1Å; G175-C178 PolarHBondContact O-N 3.13Å; G175-F179 WeakPolarHBondContact O-CB 3.47Å; G175-F179 PolarHBondContact O-N 3.28Å; G175-A187 WeakPolarHBondContact O-CB 3.18Å; G175-F191 VanDerWaalsContact C-CZ 3.47Å
176C93.7Very high90.6Very high30 Ų3053.5 Ų53.520%0.20326%0.263CS..Hα-helixtrans-61.6-40.9177-64.90000112.9Y148 M172 N173 W174 F179 K180Y148-C176 HydrophobicContact CE2-CB 4.29Å; Y148-C176 WeakPolarHBondContact CE2-O 3.42Å; Y148-C176 PolarHBondContact OH-O 3.24Å; M172-C176 PolarHBondContact O-N 3.18Å; M172-C176 PolarHBondContact O-SG 3.38Å; N173-C176 PolarHBondContact O-N 3.08Å; W174-C176 VanDerWaalsContact C-N 3.34Å; W174-C176 PolarHBondContact O-N 2.81Å; C176-F179 WeakPolarHBondContact O-CB 3.35Å; C176-F179 PolarHBondContact O-N 2.81Å; C176-K180 PolarHBondContact O-N 3.27Å
177I93.8Very high91.4Very high2 Ų246.5 Ų46.51%0.0123%0.226CC..Hα-helixtrans-64.1-49.2176.1-67.4177.1000110.6Y148 S156 K157 L160 N173 W174 G175 F179 K180 E181Y148-I177 HydrophobicContact CD2-CG1 4.09Å; Y148-I177 HydrophobicContact CE2-CG1 4.48Å; S156-I177 WeakPolarHBondContact OG-CD1 3.38Å; K157-I177 HydrophobicContact CD-CG2 4.25Å; K157-I177 HydrophobicContact CG-CD1 3.85Å; K157-I177 HydrophobicContact CG-CG2 3.96Å; L160-I177 HydrophobicContact CD1-CD1 3.42Å; L160-I177 VanDerWaalsContact CD1-CD1 3.42Å; L160-I177 HydrophobicContact CD1-CG1 4.4Å; L160-I177 HydrophobicContact CG-CD1 4.4Å; N173-I177 WeakPolarHBondContact O-CG1 3Å; N173-I177 PolarHBondContact O-N 3.3Å; W174-I177 PolarHBondContact O-N 2.87Å; G175-I177 PolarHBondContact O-N 3.1Å; I177-F179 PolarHBondContact O-N 2.92Å; I177-K180 PolarHBondContact O-N 3.34Å; I177-E181 HydrophobicContact CG2-CG 4.43Å; I177-E181 WeakPolarHBondContact O-CG 3.28Å; I177-E181 PolarHBondContact O-N 3.43Å
178C94.4Very high92.1Very high13 Ų1345.8 Ų45.89%0.08822%0.221CC..Hα-helixtrans-58.3-37177.1-69.70000111.8W174 G175 E181 E182 N183 A187W174-C178 PolarHBondContact O-N 3.4Å; W174-C178 PolarHBondContact O-SG 3.5Å; W174-C178 VanDerWaalsContact O-SG 3.41Å; G175-C178 PolarHBondContact O-N 3.13Å; C178-E181 CarbonylContact O-C 3.59Å; C178-E181 PolarHBondContact O-N 3.27Å; C178-E182 PolarHBondContact O-N 2.91Å; C178-N183 PolarHBondContact O-N 2.87Å; C178-A187 HydrophobicContact CB-CB 3.87Å
179F93.8Very high92.6Very high45 Ų4547 Ų4720%0.19723%0.229CC..Hα-helixtrans-63.2-44.4175.3-174.8-86.9000111.8G175 C176 I177 E181 E182 F184 A187 V210 K214G175-F179 WeakPolarHBondContact O-CB 3.47Å; G175-F179 PolarHBondContact O-N 3.28Å; C176-F179 WeakPolarHBondContact O-CB 3.35Å; C176-F179 PolarHBondContact O-N 2.81Å; I177-F179 PolarHBondContact O-N 2.92Å; F179-E181 VanDerWaalsContact C-N 3.28Å; F179-E181 PolarHBondContact O-N 2.9Å; F179-E182 WeakPolarHBondContact O-CA 3.35Å; F179-E182 PolarHBondContact O-N 2.79Å; F179-F184 AromaticContact CD2-CD1 3.68Å; F179-F184 HydrophobicContact CD2-CD1 3.68Å; F179-F184 HydrophobicContact CD2-CE1 4.09Å; F179-F184 HydrophobicContact CE1-CE1 4.44Å; F179-F184 AromaticContact CE2-CD1 3.67Å; F179-F184 HydrophobicContact CE2-CD1 3.67Å; F179-F184 AromaticContact CE2-CE1 3.88Å; F179-F184 HydrophobicContact CE2-CE1 3.88Å; F179-F184 HydrophobicContact CG-CD1 4.34Å; F179-F184 HydrophobicContact CG-CE1 4.46Å; F179-F184 HydrophobicContact CZ-CD1 4.32Å; F179-F184 HydrophobicContact CZ-CE1 4.06Å; F179-A187 HydrophobicContact CB-CB 3.92Å; F179-V210 HydrophobicContact CE1-CG1 4.39Å; F179-V210 HydrophobicContact CE2-CG1 3.71Å; F179-V210 HydrophobicContact CZ-CG1 3.41Å; F179-V210 VanDerWaalsContact CZ-CG1 3.41Å; F179-K214 HydrophobicContact CE2-CB 4.46Å; F179-K214 HydrophobicContact CE2-CG 3.8Å; F179-K214 HydrophobicContact CZ-CG 3.72Å
180K89.9Confident93.1Very high59 Ų5946.1 Ų46.126%0.25722%0.222SC..Hα-helixtrans-70.6-24.5178.5-162.4160-179.61790113.2Y148 N151 L153 C176 I177 E182Y148-K180 HydrophobicContact CD1-CD 4.44Å; Y148-K180 HydrophobicContact CD2-CD 3.93Å; Y148-K180 HydrophobicContact CE1-CD 3.94Å; Y148-K180 HydrophobicContact CE2-CB 3.68Å; Y148-K180 HydrophobicContact CE2-CD 3.34Å; Y148-K180 HydrophobicContact CE2-CG 4.15Å; Y148-K180 HydrophobicContact CG-CD 4.44Å; Y148-K180 PolarHBondContact O-NZ 3.04Å; N151-K180 WeakPolarHBondContact OD1-CE 3.5Å; N151-K180 PolarHBondContact OD1-NZ 3.07Å; L153-K180 HydrophobicContact CD1-CG 4.5Å; L153-K180 HydrophobicContact CD2-CB 4.5Å; L153-K180 HydrophobicContact CD2-CD 4.14Å; L153-K180 HydrophobicContact CD2-CG 4.41Å; C176-K180 PolarHBondContact O-N 3.27Å; I177-K180 PolarHBondContact O-N 3.34Å; K180-E182 PolarHBondContact O-N 2.95Å
181E90.9Very high93.4Very high86 Ų8646.2 Ų46.240%0.40222%0.223SC..THydrogen-bonded Turntrans-79.35168.6-66.2-177.7148.600113.4L153 K157 I177 C178 F179 N183L153-E181 HydrophobicContact CD1-CG 3.62Å; K157-E181 VanDerWaalsContact CE-OE1 3.24Å; K157-E181 WeakPolarHBondContact CE-OE1 3.38Å; K157-E181 WeakPolarHBondContact CE-OE2 3.41Å; K157-E181 IonicContact NZ-OE1 3.25Å; K157-E181 PolarHBondContact NZ-OE1 3.06Å; K157-E181 IonicContact NZ-OE2 3.44Å; K157-E181 PolarHBondContact NZ-OE2 3.21Å; I177-E181 HydrophobicContact CG2-CG 4.43Å; I177-E181 WeakPolarHBondContact O-CG 3.28Å; I177-E181 PolarHBondContact O-N 3.43Å; C178-E181 CarbonylContact O-C 3.59Å; C178-E181 PolarHBondContact O-N 3.27Å; F179-E181 VanDerWaalsContact C-N 3.28Å; F179-E181 PolarHBondContact O-N 2.9Å; E181-N183 PolarHBondContact O-N 3.19Å
182E89.8Confident93.6Very high89 Ų8946.9 Ų46.942%0.41623%0.227SC..THydrogen-bonded Turntrans63.414.6-178.8-55.2-179-176.700114.5C178 F179 K180 F184 R413C178-E182 PolarHBondContact O-N 2.91Å; F179-E182 WeakPolarHBondContact O-CA 3.35Å; F179-E182 PolarHBondContact O-N 2.79Å; K180-E182 PolarHBondContact O-N 2.95Å; E182-F184 VanDerWaalsContact C-N 3.31Å; E182-F184 HydrophobicContact CB-CE2 4.22Å; E182-F184 HydrophobicContact CB-CZ 3.92Å; E182-F184 HydrophobicContact CG-CZ 4.15Å; E182-F184 WeakPolarHBondContact O-CD2 3.45Å; E182-F184 PolarHBondContact O-N 2.93Å; E182-F184 VanDerWaalsContact O-N 3.17Å; E182-R413 IonicContact OE1-CZ 3.92Å; E182-R413 IonicContact OE1-NH1 3.38Å; E182-R413 PolarHBondContact OE1-NH1 3.22Å; E182-R413 IonicContact OE1-NH2 2.81Å; E182-R413 PolarHBondContact OE1-NH2 2.96Å
183N93.9Very high93.6Very high69 Ų6947.2 Ų47.237%0.36923%0.231SC..  trans-9071.5171.8-168.9-22.5000109.8C178 E181 E185 T186 A187C178-N183 PolarHBondContact O-N 2.87Å; E181-N183 PolarHBondContact O-N 3.19Å; N183-E185 VanDerWaalsContact C-N 3.26Å; N183-E185 PolarHBondContact O-N 3.46Å; N183-T186 WeakPolarHBondContact CB-OG1 3.35Å; N183-T186 PolarHBondContact ND2-OG1 2.98Å; N183-T186 PolarHBondContact O-N 3.43Å; N183-T186 PolarHBondContact O-OG1 3.21Å; N183-T186 WeakPolarHBondContact OD1-CB 3.26Å; N183-T186 WeakPolarHBondContact OD1-CG2 3.39Å; N183-T186 PolarHBondContact OD1-N 3.48Å; N183-T186 PolarHBondContact OD1-OG1 3.41Å; N183-A187 WeakPolarHBondContact O-CB 3.45Å; N183-A187 PolarHBondContact O-N 3.32Å
184F95.1Very high93.6Very high43 Ų4345.3 Ų45.319%0.18922%0.221CC..Hα-helixtrans-63.9-29.3-173.7-51.8-58.1000113.4F179 E182 L188 K214 L215F179-F184 AromaticContact CD2-CD1 3.68Å; F179-F184 HydrophobicContact CD2-CD1 3.68Å; F179-F184 HydrophobicContact CD2-CE1 4.09Å; F179-F184 HydrophobicContact CE1-CE1 4.44Å; F179-F184 AromaticContact CE2-CD1 3.67Å; F179-F184 HydrophobicContact CE2-CD1 3.67Å; F179-F184 AromaticContact CE2-CE1 3.88Å; F179-F184 HydrophobicContact CE2-CE1 3.88Å; F179-F184 HydrophobicContact CG-CD1 4.34Å; F179-F184 HydrophobicContact CG-CE1 4.46Å; F179-F184 HydrophobicContact CZ-CD1 4.32Å; F179-F184 HydrophobicContact CZ-CE1 4.06Å; E182-F184 VanDerWaalsContact C-N 3.31Å; E182-F184 HydrophobicContact CB-CE2 4.22Å; E182-F184 HydrophobicContact CB-CZ 3.92Å; E182-F184 HydrophobicContact CG-CZ 4.15Å; E182-F184 WeakPolarHBondContact O-CD2 3.45Å; E182-F184 PolarHBondContact O-N 2.93Å; E182-F184 VanDerWaalsContact O-N 3.17Å; F184-L188 VanDerWaalsContact O-CB 3.24Å; F184-L188 WeakPolarHBondContact O-CB 3.21Å; F184-L188 PolarHBondContact O-N 3.33Å; F184-K214 HydrophobicContact CB-CB 4.46Å; F184-K214 HydrophobicContact CD1-CB 3.78Å; F184-K214 HydrophobicContact CD1-CG 4.07Å; F184-K214 HydrophobicContact CD2-CB 3.91Å; F184-K214 HydrophobicContact CE1-CB 3.95Å; F184-K214 HydrophobicContact CE1-CD 4.27Å; F184-K214 HydrophobicContact CE1-CG 3.85Å; F184-K214 HydrophobicContact CE2-CB 4.07Å; F184-K214 HydrophobicContact CG-CB 3.77Å; F184-K214 HydrophobicContact CZ-CB 4.09Å; F184-K214 HydrophobicContact CZ-CD 4.13Å; F184-K214 HydrophobicContact CZ-CG 4.13Å; F184-L215 HydrophobicContact CB-CD2 3.86Å; F184-L215 HydrophobicContact CB-CG 3.99Å
185E94.5Very high93.5Very high120 Ų12043.1 Ų43.156%0.56122%0.216SC*.Hα-helixtrans-68-47.9179.9-65.5166.517300111.3N183 L188 Q189 L215N183-E185 VanDerWaalsContact C-N 3.26Å; N183-E185 PolarHBondContact O-N 3.46Å; E185-L188 WeakPolarHBondContact O-CB 3.23Å; E185-L188 PolarHBondContact O-N 3.46Å; E185-Q189 WeakPolarHBondContact O-CG 3.47Å; E185-Q189 PolarHBondContact O-N 3.39Å; E185-Q189 VanDerWaalsContact O-N 3.12Å; E185-L215 HydrophobicContact CG-CD2 3.87Å
186T94.8Very high93.3Very high38 Ų3851.2 Ų51.223%0.23325%0.252CS..Hα-helixtrans-69.9-37.9176.258.30000111.9N183 L188 Q189 H190N183-T186 WeakPolarHBondContact CB-OG1 3.35Å; N183-T186 PolarHBondContact ND2-OG1 2.98Å; N183-T186 PolarHBondContact O-N 3.43Å; N183-T186 PolarHBondContact O-OG1 3.21Å; N183-T186 WeakPolarHBondContact OD1-CB 3.26Å; N183-T186 WeakPolarHBondContact OD1-CG2 3.39Å; N183-T186 PolarHBondContact OD1-N 3.48Å; N183-T186 PolarHBondContact OD1-OG1 3.41Å; T186-L188 VanDerWaalsContact C-N 3.31Å; T186-L188 PolarHBondContact O-N 3.45Å; T186-Q189 WeakPolarHBondContact O-CB 3.44Å; T186-Q189 PolarHBondContact O-N 3.24Å; T186-Q189 VanDerWaalsContact O-N 3.15Å; T186-H190 PolarHBondContact O-CD2 3.23Å; T186-H190 VanDerWaalsContact O-CD2 3.25Å; T186-H190 PolarHBondContact O-N 2.9Å; T186-H190 VanDerWaalsContact O-N 3.08Å
187A96Very high92.9Very high0 Ų057.1 Ų57.10%027%0.27CS..Hα-helixtrans-56.8-46.4172.500000111.4G175 C178 F179 N183 Q189 H190 F191G175-A187 WeakPolarHBondContact O-CB 3.18Å; C178-A187 HydrophobicContact CB-CB 3.87Å; F179-A187 HydrophobicContact CB-CB 3.92Å; N183-A187 WeakPolarHBondContact O-CB 3.45Å; N183-A187 PolarHBondContact O-N 3.32Å; A187-Q189 VanDerWaalsContact C-N 3.31Å; A187-Q189 PolarHBondContact O-N 3.49Å; A187-H190 PolarHBondContact O-N 2.96Å; A187-F191 HydrophobicContact CB-CE2 4.28Å; A187-F191 WeakPolarHBondContact O-CD2 3.37Å; A187-F191 WeakPolarHBondContact O-CG 3.32Å; A187-F191 PolarHBondContact O-N 3.29Å
188L95.8Very high91.8Very high19 Ų1958.8 Ų58.810%0.09929%0.287CS..Hα-helixtrans-59.5-41176.4-179.764.9000111.9F184 E185 T186 F191 I192 L208 C211 Y212 L215F184-L188 VanDerWaalsContact O-CB 3.24Å; F184-L188 WeakPolarHBondContact O-CB 3.21Å; F184-L188 PolarHBondContact O-N 3.33Å; E185-L188 WeakPolarHBondContact O-CB 3.23Å; E185-L188 PolarHBondContact O-N 3.46Å; T186-L188 VanDerWaalsContact C-N 3.31Å; T186-L188 PolarHBondContact O-N 3.45Å; L188-F191 PolarHBondContact O-N 3.14Å; L188-I192 HydrophobicContact CD1-CD1 3.99Å; L188-I192 HydrophobicContact CD1-CG1 4.21Å; L188-I192 HydrophobicContact CD2-CD1 4.38Å; L188-I192 HydrophobicContact CG-CD1 3.79Å; L188-I192 HydrophobicContact CG-CG1 4.39Å; L188-I192 WeakPolarHBondContact O-CB 3.42Å; L188-I192 VanDerWaalsContact O-CG1 3.27Å; L188-I192 WeakPolarHBondContact O-CG1 3.43Å; L188-I192 PolarHBondContact O-N 3.45Å; L188-L208 HydrophobicContact CD1-CD2 3.71Å; L188-C211 HydrophobicContact CB-CB 4.18Å; L188-C211 HydrophobicContact CD1-CB 3.92Å; L188-Y212 HydrophobicContact CD1-CD2 4.13Å; L188-Y212 HydrophobicContact CD1-CE1 4.47Å; L188-Y212 HydrophobicContact CD1-CE2 3.63Å; L188-Y212 HydrophobicContact CD2-CD1 4.39Å; L188-Y212 HydrophobicContact CD2-CE1 3.83Å; L188-Y212 HydrophobicContact CD2-CE2 4.44Å; L188-L215 HydrophobicContact CD2-CD1 3.75Å
189Q95.7Very high91Very high128 Ų12860.2 Ų60.260%0.59830%0.304SS*.Hα-helixtrans-62.2-42.9176.9-71.2177.8000112.5E185 T186 A187 I192 T193E185-Q189 WeakPolarHBondContact O-CG 3.47Å; E185-Q189 PolarHBondContact O-N 3.39Å; E185-Q189 VanDerWaalsContact O-N 3.12Å; T186-Q189 WeakPolarHBondContact O-CB 3.44Å; T186-Q189 PolarHBondContact O-N 3.24Å; T186-Q189 VanDerWaalsContact O-N 3.15Å; A187-Q189 VanDerWaalsContact C-N 3.31Å; A187-Q189 PolarHBondContact O-N 3.49Å; Q189-I192 PolarHBondContact O-N 3.49Å; Q189-T193 WeakPolarHBondContact O-CB 3.35Å; Q189-T193 PolarHBondContact O-N 3.21Å; Q189-T193 PolarHBondContact O-OG1 2.96Å
190H94.8Very high90.5Very high47 Ų4763.7 Ų63.722%0.21832%0.316CS..Hα-helixtrans-61.7-44.8175.2-77.3-64.3000111.6E171 T186 A187 T193 T194E171-H190 IonicContact OE1-CE1 2.62Å; E171-H190 IonicContact OE1-CG 2.88Å; E171-H190 IonicContact OE1-ND1 3.16Å; E171-H190 PolarHBondContact OE1-ND1 3.42Å; T186-H190 PolarHBondContact O-CD2 3.23Å; T186-H190 VanDerWaalsContact O-CD2 3.25Å; T186-H190 PolarHBondContact O-N 2.9Å; T186-H190 VanDerWaalsContact O-N 3.08Å; A187-H190 PolarHBondContact O-N 2.96Å; H190-T193 PolarHBondContact O-N 3.15Å; H190-T194 WeakPolarHBondContact O-CB 3.35Å; H190-T194 PolarHBondContact O-N 2.93Å; H190-T194 PolarHBondContact O-OG1 3.2Å
191F95.1Very high90.4Very high3 Ų364 Ų641%0.01332%0.323CS..Hα-helixtrans-66.5-40.7178.1-62.9-40.4000113M172 G175 A187 L188 T193 T194 A195 L204 D207 L208 C211M172-F191 HydrophobicContact CG-CD1 4.41Å; M172-F191 HydrophobicContact CG-CE1 4.17Å; M172-F191 WeakPolarHBondContact O-CE1 3.47Å; G175-F191 VanDerWaalsContact C-CZ 3.47Å; A187-F191 HydrophobicContact CB-CE2 4.28Å; A187-F191 WeakPolarHBondContact O-CD2 3.37Å; A187-F191 WeakPolarHBondContact O-CG 3.32Å; A187-F191 PolarHBondContact O-N 3.29Å; L188-F191 PolarHBondContact O-N 3.14Å; F191-T193 VanDerWaalsContact C-N 3.31Å; F191-T193 PolarHBondContact O-N 3.46Å; F191-T194 PolarHBondContact O-N 3.4Å; F191-A195 WeakPolarHBondContact O-CB 3.45Å; F191-A195 PolarHBondContact O-N 3.45Å; F191-L204 HydrophobicContact CB-CD1 3.86Å; F191-L204 HydrophobicContact CD1-CD1 3.87Å; F191-L204 HydrophobicContact CG-CD1 4.18Å; F191-D207 HydrophobicContact CD1-CB 4.31Å; F191-D207 HydrophobicContact CD2-CB 4.09Å; F191-D207 HydrophobicContact CE1-CB 4.13Å; F191-D207 HydrophobicContact CE2-CB 3.91Å; F191-D207 HydrophobicContact CG-CB 4.3Å; F191-D207 HydrophobicContact CZ-CB 3.93Å; F191-L208 HydrophobicContact CB-CD2 3.59Å; F191-L208 HydrophobicContact CB-CG 4.09Å; F191-C211 VanDerWaalsContact CE2-SG 3.55Å
192I94Very high90.2Very high46 Ų4661.3 Ų61.324%0.23631%0.311CS..Hα-helixtrans-63.1-40.6174.3-70.6171.2000110.8L188 Q189 A195 K196 L208L188-I192 HydrophobicContact CD1-CD1 3.99Å; L188-I192 HydrophobicContact CD1-CG1 4.21Å; L188-I192 HydrophobicContact CD2-CD1 4.38Å; L188-I192 HydrophobicContact CG-CD1 3.79Å; L188-I192 HydrophobicContact CG-CG1 4.39Å; L188-I192 WeakPolarHBondContact O-CB 3.42Å; L188-I192 VanDerWaalsContact O-CG1 3.27Å; L188-I192 WeakPolarHBondContact O-CG1 3.43Å; L188-I192 PolarHBondContact O-N 3.45Å; Q189-I192 PolarHBondContact O-N 3.49Å; I192-A195 PolarHBondContact O-N 2.96Å; I192-K196 HydrophobicContact CG2-CD 4.26Å; I192-K196 WeakPolarHBondContact O-CG 3.43Å; I192-K196 PolarHBondContact O-N 3.46Å; I192-L208 HydrophobicContact CG1-CD2 3.8Å
193T92.3Very high90.2Very high44 Ų4461.3 Ų61.327%0.2731%0.314SS..Hα-helixtrans-64.4-43.6177.8-60.50000110.9Q189 H190 F191 A195 K196 R197Q189-T193 WeakPolarHBondContact O-CB 3.35Å; Q189-T193 PolarHBondContact O-N 3.21Å; Q189-T193 PolarHBondContact O-OG1 2.96Å; H190-T193 PolarHBondContact O-N 3.15Å; F191-T193 VanDerWaalsContact C-N 3.31Å; F191-T193 PolarHBondContact O-N 3.46Å; T193-A195 VanDerWaalsContact C-N 3.35Å; T193-A195 PolarHBondContact O-N 2.94Å; T193-K196 PolarHBondContact O-N 3.48Å; T193-R197 WeakPolarHBondContact O-CG 3.35Å; T193-R197 PolarHBondContact O-N 3.11Å; T193-R197 VanDerWaalsContact O-N 3.15Å
194T91.3Very high90Very high8 Ų858.1 Ų58.15%0.04930%0.297CS..Hα-helixtrans-59.3-45.7174.2-550000111.1K168 E171 M172 H190 F191 K196 R197 G198 L204K168-T194 HydrophobicContact CB-CG2 4.44Å; E171-T194 VanDerWaalsContact CG-OG1 3.23Å; E171-T194 WeakPolarHBondContact CG-OG1 3.5Å; M172-T194 HydrophobicContact CB-CG2 4.36Å; H190-T194 WeakPolarHBondContact O-CB 3.35Å; H190-T194 PolarHBondContact O-N 2.93Å; H190-T194 PolarHBondContact O-OG1 3.2Å; F191-T194 PolarHBondContact O-N 3.4Å; T194-K196 VanDerWaalsContact C-N 3.29Å; T194-K196 PolarHBondContact O-N 2.91Å; T194-R197 PolarHBondContact O-N 3.32Å; T194-R197 VanDerWaalsContact O-N 3.17Å; T194-G198 PolarHBondContact O-N 3.46Å; T194-L204 HydrophobicContact CG2-CD1 4.39Å; T194-L204 HydrophobicContact CG2-CD2 3.94Å
195A91Very high90Very high16 Ų1656 Ų5613%0.13229%0.288CS..Hα-helixtrans-63-34.2-18000000112.9F191 I192 T193 R200 L204 L208F191-A195 WeakPolarHBondContact O-CB 3.45Å; F191-A195 PolarHBondContact O-N 3.45Å; I192-A195 PolarHBondContact O-N 2.96Å; T193-A195 VanDerWaalsContact C-N 3.35Å; T193-A195 PolarHBondContact O-N 2.94Å; A195-R200 HydrophobicContact CB-CG 4.23Å; A195-L204 HydrophobicContact CB-CD2 3.73Å; A195-L208 HydrophobicContact CB-CD1 4.49Å
196K89Confident90Very high171 Ų17153 Ų5374%0.74327%0.271SS*.Hα-helixtrans-72.5-34.3176.2-73.4173.8-178.7176.20112.8I192 T193 T194I192-K196 HydrophobicContact CG2-CD 4.26Å; I192-K196 WeakPolarHBondContact O-CG 3.43Å; I192-K196 PolarHBondContact O-N 3.46Å; T193-K196 PolarHBondContact O-N 3.48Å; T194-K196 VanDerWaalsContact C-N 3.29Å; T194-K196 PolarHBondContact O-N 2.91Å
197R84.8Confident89.9Confident154 Ų15452.9 Ų52.958%0.58127%0.269SS*.Hα-helixtrans-84-40.6-176.1-70.4179.5-179.2-177.53.6113.6T193 T194T193-R197 WeakPolarHBondContact O-CG 3.35Å; T193-R197 PolarHBondContact O-N 3.11Å; T193-R197 VanDerWaalsContact O-N 3.15Å; T194-R197 PolarHBondContact O-N 3.32Å; T194-R197 VanDerWaalsContact O-N 3.17Å
198G70.4Confident89.9Confident36 Ų3653 Ų5337%0.37127%0.27SS..Hα-helixtrans-121.68-161.700000116.6T194T194-G198 PolarHBondContact O-N 3.46Å
199G78Confident89.9Confident44 Ų4452.1 Ų52.145%0.45427%0.265SS..  trans79.1172.5-168.600000112.3
200R83.5Confident89.9Confident118 Ų11847 Ų4745%0.44524%0.243SC..  trans-104.699-177.7-58.6-178-169.2169.8-2.6109.8A195 L205 E227 R231A195-R200 HydrophobicContact CB-CG 4.23Å; R200-L205 HydrophobicContact CB-CD2 3.99Å; R200-L205 HydrophobicContact CB-CG 4.18Å; R200-L205 HydrophobicContact CG-CD2 4.37Å; R200-E227 IonicContact NH1-OE1 2.93Å; R200-E227 PolarHBondContact NH1-OE1 3.45Å; R200-E227 VanDerWaalsContact NH1-OE1 3.16Å; R200-E227 IonicContact NH1-OE2 2.85Å; R200-E227 PolarHBondContact NH1-OE2 2.93Å; R200-R231 PolarHBondContact O-NH1 3.44Å
201T86.9Confident90Very high65 Ų6544.7 Ų44.740%0.39923%0.232SC..  trans-72.1158.8167.4550000110D203 L204 L205T201-D203 VanDerWaalsContact C-N 3.29Å; T201-D203 PolarHBondContact O-N 2.9Å; T201-L204 PolarHBondContact O-N 3.18Å; T201-L204 WeakPolarHBondContact OG1-CB 3.46Å; T201-L204 PolarHBondContact OG1-N 3.36Å; T201-L205 WeakPolarHBondContact O-CG 3.34Å; T201-L205 PolarHBondContact O-N 3.02Å
202L88.3Confident90.1Very high29 Ų2945.9 Ų45.915%0.15224%0.237CC..Hα-helixtrans-62.1-38.5178.7-63.3179.5000111.6L204 L205 Y206 I228 R231 V263L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.91Å; L202-L205 HydrophobicContact CD2-CD1 4.28Å; L202-L205 PolarHBondContact O-N 3.21Å; L202-Y206 PolarHBondContact O-N 3.36Å; L202-Y206 VanDerWaalsContact O-N 3.08Å; L202-I228 HydrophobicContact CD2-CG2 4.48Å; L202-R231 HydrophobicContact CD2-CB 3.99Å; L202-V263 HydrophobicContact CB-CB 4.4Å; L202-V263 HydrophobicContact CB-CG2 4.04Å
203D88.1Confident90.2Very high89 Ų8945.7 Ų45.748%0.47623%0.233SC..Hα-helixtrans-59.4-44.8176-50-70.1000111.3M172 T201 L205 Y206 D207 V263M172-D203 HydrophobicContact CE-CB 4.18Å; T201-D203 VanDerWaalsContact C-N 3.29Å; T201-D203 PolarHBondContact O-N 2.9Å; D203-L205 PolarHBondContact O-N 3.48Å; D203-Y206 WeakPolarHBondContact O-CB 3.35Å; D203-Y206 PolarHBondContact O-N 3.07Å; D203-D207 PolarHBondContact O-N 2.82Å; D203-V263 HydrophobicContact CB-CG2 4.45Å; D203-V263 WeakPolarHBondContact OD1-CG2 3.48Å
204L91.3Very high90.2Very high2 Ų248 Ų481%0.0124%0.239CC..Hα-helixtrans-68.1-36179.8-176.962.1000112.7F191 T194 A195 T201 L202 Y206 D207 L208F191-L204 HydrophobicContact CB-CD1 3.86Å; F191-L204 HydrophobicContact CD1-CD1 3.87Å; F191-L204 HydrophobicContact CG-CD1 4.18Å; T194-L204 HydrophobicContact CG2-CD1 4.39Å; T194-L204 HydrophobicContact CG2-CD2 3.94Å; A195-L204 HydrophobicContact CB-CD2 3.73Å; T201-L204 PolarHBondContact O-N 3.18Å; T201-L204 WeakPolarHBondContact OG1-CB 3.46Å; T201-L204 PolarHBondContact OG1-N 3.36Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.91Å; L204-Y206 VanDerWaalsContact C-N 3.27Å; L204-Y206 PolarHBondContact O-N 3.03Å; L204-D207 PolarHBondContact O-N 2.91Å; L204-L208 WeakPolarHBondContact O-CB 3.36Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.48Å; L204-L208 PolarHBondContact O-N 3.28Å
205L93.5Very high90.3Very high0 Ų049.4 Ų49.40%025%0.247CC..Hα-helixtrans-62.5-39.1173.8-70.5173.5000111R200 T201 L202 D203 A209 Y224 E227 I228R200-L205 HydrophobicContact CB-CD2 3.99Å; R200-L205 HydrophobicContact CB-CG 4.18Å; R200-L205 HydrophobicContact CG-CD2 4.37Å; T201-L205 WeakPolarHBondContact O-CG 3.34Å; T201-L205 PolarHBondContact O-N 3.02Å; L202-L205 HydrophobicContact CD2-CD1 4.28Å; L202-L205 PolarHBondContact O-N 3.21Å; D203-L205 PolarHBondContact O-N 3.48Å; L205-A209 WeakPolarHBondContact O-CB 3.3Å; L205-A209 PolarHBondContact O-N 3.27Å; L205-Y224 HydrophobicContact CD2-CD1 3.86Å; L205-Y224 HydrophobicContact CD2-CE1 4.36Å; L205-E227 HydrophobicContact CD1-CG 4.09Å; L205-E227 HydrophobicContact CD2-CG 4.46Å; L205-I228 HydrophobicContact CB-CD1 3.86Å; L205-I228 HydrophobicContact CB-CG1 3.58Å; L205-I228 HydrophobicContact CD1-CG1 3.99Å; L205-I228 HydrophobicContact CG-CG1 4.44Å
206Y94.7Very high90.3Very high56 Ų5652.3 Ų52.322%0.2226%0.256CS..Hα-helixtrans-68.2-45176.8176.6-102.5000111.8L202 D203 L204 L208 A209 V210 V263 E266 L270L202-Y206 PolarHBondContact O-N 3.36Å; L202-Y206 VanDerWaalsContact O-N 3.08Å; D203-Y206 WeakPolarHBondContact O-CB 3.35Å; D203-Y206 PolarHBondContact O-N 3.07Å; L204-Y206 VanDerWaalsContact C-N 3.27Å; L204-Y206 PolarHBondContact O-N 3.03Å; Y206-L208 VanDerWaalsContact C-N 3.28Å; Y206-L208 PolarHBondContact O-N 3.4Å; Y206-A209 CarbonylContact O-C 3.33Å; Y206-A209 WeakPolarHBondContact O-CA 3.24Å; Y206-A209 WeakPolarHBondContact O-CB 3.35Å; Y206-A209 PolarHBondContact O-N 2.73Å; Y206-V210 HydrophobicContact CD1-CG2 4.06Å; Y206-V210 HydrophobicContact CD2-CG2 4.21Å; Y206-V210 HydrophobicContact CE1-CG2 3.58Å; Y206-V210 HydrophobicContact CE2-CG2 3.72Å; Y206-V210 HydrophobicContact CG-CG2 4.36Å; Y206-V210 WeakPolarHBondContact O-CG2 3.41Å; Y206-V210 PolarHBondContact O-N 3.19Å; Y206-V263 HydrophobicContact CD1-CG1 3.98Å; Y206-V263 HydrophobicContact CD2-CG1 3.96Å; Y206-V263 HydrophobicContact CG-CG1 3.46Å; Y206-V263 VanDerWaalsContact CG-CG1 3.46Å; Y206-E266 HydrophobicContact CD2-CB 3.98Å; Y206-E266 HydrophobicContact CE1-CB 4.1Å; Y206-E266 VanDerWaalsContact CE2-C 3.45Å; Y206-E266 HydrophobicContact CE2-CB 3.52Å; Y206-E266 WeakPolarHBondContact CE2-O 3.42Å; Y206-E266 HydrophobicContact CG-CB 4.47Å; Y206-L270 HydrophobicContact CD2-CD2 4.49Å; Y206-L270 HydrophobicContact CE2-CB 4.17Å; Y206-L270 HydrophobicContact CE2-CD2 4.11Å
207D94.2Very high90.5Very high36 Ų3648.5 Ų48.519%0.19324%0.241CC..Hα-helixtrans-59-40.4176.2-69-26.9000111.9M172 F191 D203 L204 V210 C211M172-D207 WeakPolarHBondContact CE-OD2 3.26Å; F191-D207 HydrophobicContact CD1-CB 4.31Å; F191-D207 HydrophobicContact CD2-CB 4.09Å; F191-D207 HydrophobicContact CE1-CB 4.13Å; F191-D207 HydrophobicContact CE2-CB 3.91Å; F191-D207 HydrophobicContact CG-CB 4.3Å; F191-D207 HydrophobicContact CZ-CB 3.93Å; D203-D207 PolarHBondContact O-N 2.82Å; L204-D207 PolarHBondContact O-N 2.91Å; D207-V210 PolarHBondContact O-N 3.1Å; D207-C211 PolarHBondContact O-N 3.13Å
208L95.8Very high90.9Very high2 Ų243.7 Ų43.71%0.0122%0.223CC..Hα-helixtrans-60.1-48171.1-73.6169.1000111.5L188 F191 I192 A195 L204 Y206 V210 C211 Y212 Y224L188-L208 HydrophobicContact CD1-CD2 3.71Å; F191-L208 HydrophobicContact CB-CD2 3.59Å; F191-L208 HydrophobicContact CB-CG 4.09Å; I192-L208 HydrophobicContact CG1-CD2 3.8Å; A195-L208 HydrophobicContact CB-CD1 4.49Å; L204-L208 WeakPolarHBondContact O-CB 3.36Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.48Å; L204-L208 PolarHBondContact O-N 3.28Å; Y206-L208 VanDerWaalsContact C-N 3.28Å; Y206-L208 PolarHBondContact O-N 3.4Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.3Å; L208-C211 PolarHBondContact O-N 3.29Å; L208-Y212 WeakPolarHBondContact O-CD2 3.3Å; L208-Y212 PolarHBondContact O-N 3.49Å; L208-Y224 HydrophobicContact CB-CD1 4.48Å; L208-Y224 HydrophobicContact CB-CD2 4.4Å; L208-Y224 HydrophobicContact CB-CE1 4.5Å; L208-Y224 HydrophobicContact CB-CE2 4.47Å; L208-Y224 HydrophobicContact CB-CG 4.42Å; L208-Y224 HydrophobicContact CD1-CD1 4.47Å; L208-Y224 HydrophobicContact CD1-CE1 3.99Å
209A96.4Very high92Very high0 Ų046.4 Ų46.40%024%0.236CC..Hα-helixtrans-59.9-43179.300000111.9L205 Y206 Y212 Y213 A221 I225 L270L205-A209 WeakPolarHBondContact O-CB 3.3Å; L205-A209 PolarHBondContact O-N 3.27Å; Y206-A209 CarbonylContact O-C 3.33Å; Y206-A209 WeakPolarHBondContact O-CA 3.24Å; Y206-A209 WeakPolarHBondContact O-CB 3.35Å; Y206-A209 PolarHBondContact O-N 2.73Å; A209-Y212 PolarHBondContact O-N 2.82Å; A209-Y213 WeakPolarHBondContact O-CB 3.43Å; A209-Y213 PolarHBondContact O-N 3.25Å; A209-A221 WeakPolarHBondContact O-CB 3.34Å; A209-I225 HydrophobicContact CB-CG1 4.18Å; A209-L270 HydrophobicContact CB-CD2 3.68Å
210V95.7Very high92.8Very high20 Ų2047.1 Ų47.112%0.12123%0.228CC..Hα-helixtrans-66.2-40.7178177.50000111.1F179 Y206 D207 L208 Y213 K214 L270F179-V210 HydrophobicContact CE1-CG1 4.39Å; F179-V210 HydrophobicContact CE2-CG1 3.71Å; F179-V210 HydrophobicContact CZ-CG1 3.41Å; F179-V210 VanDerWaalsContact CZ-CG1 3.41Å; Y206-V210 HydrophobicContact CD1-CG2 4.06Å; Y206-V210 HydrophobicContact CD2-CG2 4.21Å; Y206-V210 HydrophobicContact CE1-CG2 3.58Å; Y206-V210 HydrophobicContact CE2-CG2 3.72Å; Y206-V210 HydrophobicContact CG-CG2 4.36Å; Y206-V210 WeakPolarHBondContact O-CG2 3.41Å; Y206-V210 PolarHBondContact O-N 3.19Å; D207-V210 PolarHBondContact O-N 3.1Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.3Å; V210-Y213 WeakPolarHBondContact O-CB 3.31Å; V210-Y213 PolarHBondContact O-N 3.31Å; V210-K214 WeakPolarHBondContact O-CG 3.49Å; V210-K214 PolarHBondContact O-N 3.48Å; V210-L270 HydrophobicContact CG2-CD2 3.83Å
211C96.3Very high93.4Very high0 Ų041.5 Ų41.50%021%0.207CC..Hα-helixtrans-58.8-48.2172.8-830000111.9L188 F191 D207 L208 Y213 K214 L215L188-C211 HydrophobicContact CB-CB 4.18Å; L188-C211 HydrophobicContact CD1-CB 3.92Å; F191-C211 VanDerWaalsContact CE2-SG 3.55Å; D207-C211 PolarHBondContact O-N 3.13Å; L208-C211 PolarHBondContact O-N 3.29Å; C211-Y213 VanDerWaalsContact C-N 3.3Å; C211-Y213 PolarHBondContact O-N 3.32Å; C211-K214 PolarHBondContact O-N 3.26Å; C211-L215 WeakPolarHBondContact O-CB 3.39Å; C211-L215 WeakPolarHBondContact O-CG 3.31Å; C211-L215 PolarHBondContact O-N 3.12Å
212Y96.9Very high93.8Very high27 Ų2739.7 Ų39.711%0.10619%0.194CC..Hα-helixtrans-64-35.4177-78.4-65.9000112.7L188 L208 A209 L215 K216 Q217 Q220 Y224L188-Y212 HydrophobicContact CD1-CD2 4.13Å; L188-Y212 HydrophobicContact CD1-CE1 4.47Å; L188-Y212 HydrophobicContact CD1-CE2 3.63Å; L188-Y212 HydrophobicContact CD2-CD1 4.39Å; L188-Y212 HydrophobicContact CD2-CE1 3.83Å; L188-Y212 HydrophobicContact CD2-CE2 4.44Å; L208-Y212 WeakPolarHBondContact O-CD2 3.3Å; L208-Y212 PolarHBondContact O-N 3.49Å; A209-Y212 PolarHBondContact O-N 2.82Å; Y212-L215 CarbonylContact O-C 3.54Å; Y212-L215 PolarHBondContact O-N 2.92Å; Y212-K216 PolarHBondContact O-N 3.42Å; Y212-Q217 HydrophobicContact CD1-CB 3.89Å; Y212-Q217 VanDerWaalsContact CE1-OE1 3.31Å; Y212-Q217 PolarHBondContact O-N 3.09Å; Y212-Q220 HydrophobicContact CD1-CB 3.66Å; Y212-Q220 HydrophobicContact CD1-CG 4.22Å; Y212-Q220 HydrophobicContact CD2-CB 4.08Å; Y212-Q220 HydrophobicContact CE1-CB 3.98Å; Y212-Q220 HydrophobicContact CE1-CG 4.17Å; Y212-Q220 HydrophobicContact CE2-CB 4.42Å; Y212-Q220 HydrophobicContact CG-CB 3.7Å; Y212-Y224 AromaticContact CD2-CD2 3.81Å; Y212-Y224 HydrophobicContact CD2-CD2 3.81Å; Y212-Y224 AromaticContact CD2-CE2 3.5Å; Y212-Y224 HydrophobicContact CD2-CE2 3.5Å; Y212-Y224 VanDerWaalsContact CD2-CE2 3.5Å; Y212-Y224 HydrophobicContact CE2-CD2 4.06Å; Y212-Y224 AromaticContact CE2-CE2 3.25Å; Y212-Y224 HydrophobicContact CE2-CE2 3.25Å
213Y95.8Very high94.2Very high43 Ų4344.2 Ų44.217%0.16921%0.209CC..Hα-helixtrans-61.8-46.4172.4169.3-107.2000112A209 V210 C211 L215 K216 Y218 L270 I274 K277A209-Y213 WeakPolarHBondContact O-CB 3.43Å; A209-Y213 PolarHBondContact O-N 3.25Å; V210-Y213 WeakPolarHBondContact O-CB 3.31Å; V210-Y213 PolarHBondContact O-N 3.31Å; C211-Y213 VanDerWaalsContact C-N 3.3Å; C211-Y213 PolarHBondContact O-N 3.32Å; Y213-L215 VanDerWaalsContact C-N 3.28Å; Y213-L215 PolarHBondContact O-N 3.47Å; Y213-K216 WeakPolarHBondContact O-CA 3.23Å; Y213-K216 PolarHBondContact O-N 2.91Å; Y213-Y218 HydrophobicContact CD2-CD1 4.05Å; Y213-Y218 AromaticContact CD2-CE1 3.77Å; Y213-Y218 HydrophobicContact CD2-CE1 3.77Å; Y213-Y218 AromaticContact CE2-CE1 3.97Å; Y213-Y218 HydrophobicContact CE2-CE1 3.97Å; Y213-L270 HydrophobicContact CD1-CD1 3.82Å; Y213-L270 HydrophobicContact CD2-CD1 4.16Å; Y213-L270 HydrophobicContact CE1-CD1 4.39Å; Y213-L270 HydrophobicContact CG-CD1 3.68Å; Y213-I274 HydrophobicContact CD2-CD1 4.29Å; Y213-I274 HydrophobicContact CD2-CG1 3.55Å; Y213-I274 HydrophobicContact CE2-CG1 4.01Å; Y213-K277 HydrophobicContact CE2-CG 4.38Å; Y213-K277 WeakPolarHBondContact OH-CE 3.43Å
214K93.1Very high94.5Very high91 Ų9140.8 Ų40.840%0.39619%0.19SC..Hα-helixtrans-65.7-31177-70.1-64.6-174.6176.50112.7F179 F184 V210 C211 K216F179-K214 HydrophobicContact CE2-CB 4.46Å; F179-K214 HydrophobicContact CE2-CG 3.8Å; F179-K214 HydrophobicContact CZ-CG 3.72Å; F184-K214 HydrophobicContact CB-CB 4.46Å; F184-K214 HydrophobicContact CD1-CB 3.78Å; F184-K214 HydrophobicContact CD1-CG 4.07Å; F184-K214 HydrophobicContact CD2-CB 3.91Å; F184-K214 HydrophobicContact CE1-CB 3.95Å; F184-K214 HydrophobicContact CE1-CD 4.27Å; F184-K214 HydrophobicContact CE1-CG 3.85Å; F184-K214 HydrophobicContact CE2-CB 4.07Å; F184-K214 HydrophobicContact CG-CB 3.77Å; F184-K214 HydrophobicContact CZ-CB 4.09Å; F184-K214 HydrophobicContact CZ-CD 4.13Å; F184-K214 HydrophobicContact CZ-CG 4.13Å; V210-K214 WeakPolarHBondContact O-CG 3.49Å; V210-K214 PolarHBondContact O-N 3.48Å; C211-K214 PolarHBondContact O-N 3.26Å; K214-K216 PolarHBondContact O-N 3.42Å
215L92.4Very high94.7Very high39 Ų3940.7 Ų40.720%0.20419%0.189CC..THydrogen-bonded Turntrans-81.28.2171.8-66170.3000113.5F184 E185 L188 C211 Y212 Y213 Q217F184-L215 HydrophobicContact CB-CD2 3.86Å; F184-L215 HydrophobicContact CB-CG 3.99Å; E185-L215 HydrophobicContact CG-CD2 3.87Å; L188-L215 HydrophobicContact CD2-CD1 3.75Å; C211-L215 WeakPolarHBondContact O-CB 3.39Å; C211-L215 WeakPolarHBondContact O-CG 3.31Å; C211-L215 PolarHBondContact O-N 3.12Å; Y212-L215 CarbonylContact O-C 3.54Å; Y212-L215 PolarHBondContact O-N 2.92Å; Y213-L215 VanDerWaalsContact C-N 3.28Å; Y213-L215 PolarHBondContact O-N 3.47Å; L215-Q217 HydrophobicContact CB-CG 4.48Å; L215-Q217 PolarHBondContact O-N 3.49Å
216K90.4Very high94.6Very high77 Ų7745.2 Ų45.234%0.33521%0.21SC..THydrogen-bonded Turntrans57.415.4-178.3-52.7175.2-169.8162.30115.1Y212 Y213 K214 Y218 E474 E478Y212-K216 PolarHBondContact O-N 3.42Å; Y213-K216 WeakPolarHBondContact O-CA 3.23Å; Y213-K216 PolarHBondContact O-N 2.91Å; K214-K216 PolarHBondContact O-N 3.42Å; K216-Y218 VanDerWaalsContact C-N 3.26Å; K216-Y218 HydrophobicContact CB-CE2 4.47Å; K216-Y218 PolarHBondContact O-N 3.45Å; K216-E474 IonicContact NZ-OE2 2.68Å; K216-E474 PolarHBondContact NZ-OE2 3.02Å; K216-E474 VanDerWaalsContact NZ-OE2 3.12Å; K216-E478 WeakPolarHBondContact CE-OE1 3.41Å; K216-E478 IonicContact NZ-OE1 2.79Å; K216-E478 PolarHBondContact NZ-OE1 3.08Å
217Q93.3Very high94.5Very high90 Ų9044.1 Ų44.142%0.42121%0.207SC..  trans-86.968.1176-66.3-177.124.700109.9Y212 L215 S219 Q220 A221Y212-Q217 HydrophobicContact CD1-CB 3.89Å; Y212-Q217 VanDerWaalsContact CE1-OE1 3.31Å; Y212-Q217 PolarHBondContact O-N 3.09Å; L215-Q217 HydrophobicContact CB-CG 4.48Å; L215-Q217 PolarHBondContact O-N 3.49Å; Q217-S219 VanDerWaalsContact C-N 3.28Å; Q217-S219 PolarHBondContact O-N 2.95Å; Q217-Q220 HydrophobicContact CB-CB 4.48Å; Q217-Q220 PolarHBondContact O-N 3.17Å; Q217-Q220 VanDerWaalsContact O-N 3.16Å; Q217-A221 PolarHBondContact O-N 2.94Å; Q217-A221 VanDerWaalsContact O-N 3.12Å
218Y94.1Very high94.4Very high54 Ų5442.4 Ų42.421%0.21220%0.198CC..Hα-helixtrans-60.8-33.4-171.3-56.2-53.6000113.9Y213 K216 Q220 A221 M222 I274 L278Y213-Y218 HydrophobicContact CD2-CD1 4.05Å; Y213-Y218 AromaticContact CD2-CE1 3.77Å; Y213-Y218 HydrophobicContact CD2-CE1 3.77Å; Y213-Y218 AromaticContact CE2-CE1 3.97Å; Y213-Y218 HydrophobicContact CE2-CE1 3.97Å; K216-Y218 VanDerWaalsContact C-N 3.26Å; K216-Y218 HydrophobicContact CB-CE2 4.47Å; K216-Y218 PolarHBondContact O-N 3.45Å; Y218-Q220 PolarHBondContact O-N 3.19Å; Y218-A221 PolarHBondContact O-N 3.27Å; Y218-M222 WeakPolarHBondContact O-CB 3.44Å; Y218-M222 VanDerWaalsContact O-CG 3.3Å; Y218-M222 WeakPolarHBondContact O-CG 3.38Å; Y218-M222 PolarHBondContact O-N 3.4Å; Y218-I274 HydrophobicContact CD1-CG1 4.17Å; Y218-I274 HydrophobicContact CD1-CG2 4.09Å; Y218-I274 HydrophobicContact CG-CG2 4.17Å; Y218-L278 HydrophobicContact CD2-CD2 3.62Å; Y218-L278 HydrophobicContact CD2-CG 4.27Å; Y218-L278 HydrophobicContact CE2-CD2 4.02Å; Y218-L278 HydrophobicContact CG-CD2 4.38Å
219S93.7Very high94.1Very high92 Ų9243.9 Ų43.964%0.64321%0.208SC*.Hα-helixtrans-62.4-41.6177.256.20000112.4Q217 R223Q217-S219 VanDerWaalsContact C-N 3.28Å; Q217-S219 PolarHBondContact O-N 2.95Å; S219-R223 PolarHBondContact O-N 3.24Å
220Q95.1Very high93.7Very high59 Ų5950.4 Ų50.428%0.27624%0.239SC..Hα-helixtrans-70.8-42.6176.4-65.1-61.3-24.900111.1Y212 Q217 Y218 M222 R223 Y224Y212-Q220 HydrophobicContact CD1-CB 3.66Å; Y212-Q220 HydrophobicContact CD1-CG 4.22Å; Y212-Q220 HydrophobicContact CD2-CB 4.08Å; Y212-Q220 HydrophobicContact CE1-CB 3.98Å; Y212-Q220 HydrophobicContact CE1-CG 4.17Å; Y212-Q220 HydrophobicContact CE2-CB 4.42Å; Y212-Q220 HydrophobicContact CG-CB 3.7Å; Q217-Q220 HydrophobicContact CB-CB 4.48Å; Q217-Q220 PolarHBondContact O-N 3.17Å; Q217-Q220 VanDerWaalsContact O-N 3.16Å; Y218-Q220 PolarHBondContact O-N 3.19Å; Q220-M222 VanDerWaalsContact C-N 3.33Å; Q220-M222 PolarHBondContact O-N 3.48Å; Q220-R223 PolarHBondContact O-N 2.99Å; Q220-R223 VanDerWaalsContact OE1-NH2 3.09Å; Q220-Y224 WeakPolarHBondContact O-CD2 3.31Å; Q220-Y224 PolarHBondContact O-N 2.9Å
221A96.7Very high93.2Very high0 Ų053.4 Ų53.40%025%0.248CC..Hα-helixtrans-57.3-46.4176.200000111.5A209 Q217 Y218 R223 Y224 I225 I274A209-A221 WeakPolarHBondContact O-CB 3.34Å; Q217-A221 PolarHBondContact O-N 2.94Å; Q217-A221 VanDerWaalsContact O-N 3.12Å; Y218-A221 PolarHBondContact O-N 3.27Å; A221-R223 PolarHBondContact O-N 2.95Å; A221-Y224 PolarHBondContact O-N 3.3Å; A221-I225 WeakPolarHBondContact O-CG1 3.48Å; A221-I225 PolarHBondContact O-N 3.35Å; A221-I225 VanDerWaalsContact O-N 3.09Å; A221-I274 HydrophobicContact CB-CD1 3.73Å
222M94.7Very high92.4Very high27 Ų2753.8 Ų53.813%0.13325%0.25CC..Hα-helixtrans-60.3-41.4177-75.7-64.5-66.900112.8Y218 Q220 Y224 I225 E226 K271 I274Y218-M222 WeakPolarHBondContact O-CB 3.44Å; Y218-M222 VanDerWaalsContact O-CG 3.3Å; Y218-M222 WeakPolarHBondContact O-CG 3.38Å; Y218-M222 PolarHBondContact O-N 3.4Å; Q220-M222 VanDerWaalsContact C-N 3.33Å; Q220-M222 PolarHBondContact O-N 3.48Å; M222-Y224 VanDerWaalsContact C-N 3.32Å; M222-Y224 PolarHBondContact O-N 3.05Å; M222-I225 WeakPolarHBondContact O-CB 3.4Å; M222-I225 PolarHBondContact O-N 3.34Å; M222-I225 HydrophobicContact SD-CD1 4.22Å; M222-E226 WeakPolarHBondContact O-CG 3.37Å; M222-E226 PolarHBondContact O-N 2.88Å; M222-K271 HydrophobicContact CE-CD 4.19Å; M222-K271 HydrophobicContact CE-CG 4.06Å; M222-K271 HydrophobicContact SD-CG 3.98Å; M222-I274 HydrophobicContact CG-CD1 4.38Å; M222-I274 HydrophobicContact CG-CG2 4.19Å; M222-I274 HydrophobicContact SD-CD1 4.22Å; M222-I274 HydrophobicContact SD-CG2 4.24Å
223R96.3Very high91.5Very high124 Ų12454.5 Ų54.547%0.46826%0.261SS..Hα-helixtrans-59.6-41.1177.4-169.4-174.968.5178.3-2.4112.5S219 Q220 A221 E226 E227S219-R223 PolarHBondContact O-N 3.24Å; Q220-R223 PolarHBondContact O-N 2.99Å; Q220-R223 VanDerWaalsContact OE1-NH2 3.09Å; A221-R223 PolarHBondContact O-N 2.95Å; R223-E226 PolarHBondContact O-N 3.26Å; R223-E227 PolarHBondContact O-N 3.46Å
224Y94.8Very high90.6Very high17 Ų1756.6 Ų56.67%0.06729%0.287CS..Hα-helixtrans-70.8-36.1177-71.5-68.5000112.3L205 L208 Y212 Q220 A221 M222 E226 E227 I228L205-Y224 HydrophobicContact CD2-CD1 3.86Å; L205-Y224 HydrophobicContact CD2-CE1 4.36Å; L208-Y224 HydrophobicContact CB-CD1 4.48Å; L208-Y224 HydrophobicContact CB-CD2 4.4Å; L208-Y224 HydrophobicContact CB-CE1 4.5Å; L208-Y224 HydrophobicContact CB-CE2 4.47Å; L208-Y224 HydrophobicContact CB-CG 4.42Å; L208-Y224 HydrophobicContact CD1-CD1 4.47Å; L208-Y224 HydrophobicContact CD1-CE1 3.99Å; Y212-Y224 AromaticContact CD2-CD2 3.81Å; Y212-Y224 HydrophobicContact CD2-CD2 3.81Å; Y212-Y224 AromaticContact CD2-CE2 3.5Å; Y212-Y224 HydrophobicContact CD2-CE2 3.5Å; Y212-Y224 VanDerWaalsContact CD2-CE2 3.5Å; Y212-Y224 HydrophobicContact CE2-CD2 4.06Å; Y212-Y224 AromaticContact CE2-CE2 3.25Å; Y212-Y224 HydrophobicContact CE2-CE2 3.25Å; Q220-Y224 WeakPolarHBondContact O-CD2 3.31Å; Q220-Y224 PolarHBondContact O-N 2.9Å; A221-Y224 PolarHBondContact O-N 3.3Å; M222-Y224 VanDerWaalsContact C-N 3.32Å; M222-Y224 PolarHBondContact O-N 3.05Å; Y224-E226 VanDerWaalsContact C-N 3.32Å; Y224-E227 PolarHBondContact O-N 3.15Å; Y224-I228 WeakPolarHBondContact O-CG1 3.46Å; Y224-I228 PolarHBondContact O-N 3.45Å
225I94.3Very high89.5Confident0 Ų058.2 Ų58.20%030%0.296CS..Hα-helixtrans-61.5-42.6173.3-67.7165.9000110.7A209 A221 M222 I228 C229 A267 L270 K271 I274A209-I225 HydrophobicContact CB-CG1 4.18Å; A221-I225 WeakPolarHBondContact O-CG1 3.48Å; A221-I225 PolarHBondContact O-N 3.35Å; A221-I225 VanDerWaalsContact O-N 3.09Å; M222-I225 WeakPolarHBondContact O-CB 3.4Å; M222-I225 PolarHBondContact O-N 3.34Å; M222-I225 HydrophobicContact SD-CD1 4.22Å; I225-I228 PolarHBondContact O-N 2.87Å; I225-C229 PolarHBondContact O-N 3.23Å; I225-C229 PolarHBondContact O-SG 2.95Å; I225-A267 HydrophobicContact CG2-CB 4.37Å; I225-L270 HydrophobicContact CD1-CB 4.17Å; I225-L270 HydrophobicContact CD1-CD2 3.92Å; I225-L270 HydrophobicContact CD1-CG 3.9Å; I225-L270 HydrophobicContact CG1-CD2 4.25Å; I225-K271 HydrophobicContact CD1-CB 4.26Å; I225-K271 HydrophobicContact CG2-CB 4.11Å; I225-K271 HydrophobicContact CG2-CD 4.26Å; I225-I274 HydrophobicContact CD1-CD1 3.77Å
226E93Very high88.1Confident95 Ų9560.7 Ų60.744%0.44431%0.306SS..Hα-helixtrans-62.7-44.8175.5-73.4170.2-179.500111.1M222 R223 Y224 I228 C229 E230M222-E226 WeakPolarHBondContact O-CG 3.37Å; M222-E226 PolarHBondContact O-N 2.88Å; R223-E226 PolarHBondContact O-N 3.26Å; Y224-E226 VanDerWaalsContact C-N 3.32Å; E226-I228 VanDerWaalsContact C-N 3.29Å; E226-I228 PolarHBondContact O-N 3.3Å; E226-C229 WeakPolarHBondContact O-CB 3.47Å; E226-C229 PolarHBondContact O-N 3.07Å; E226-C229 VanDerWaalsContact O-N 3.11Å; E226-E230 WeakPolarHBondContact O-CG 3.5Å; E226-E230 PolarHBondContact O-N 2.9Å
227E92.6Very high86.7Confident33 Ų3359.4 Ų59.415%0.15430%0.302CS..Hα-helixtrans-59.2-38175.5-172175.6167.200112.1R200 L205 R223 Y224 R231R200-E227 IonicContact NH1-OE1 2.93Å; R200-E227 PolarHBondContact NH1-OE1 3.45Å; R200-E227 VanDerWaalsContact NH1-OE1 3.16Å; R200-E227 IonicContact NH1-OE2 2.85Å; R200-E227 PolarHBondContact NH1-OE2 2.93Å; L205-E227 HydrophobicContact CD1-CG 4.09Å; L205-E227 HydrophobicContact CD2-CG 4.46Å; R223-E227 PolarHBondContact O-N 3.46Å; Y224-E227 PolarHBondContact O-N 3.15Å; E227-R231 WeakPolarHBondContact O-CB 3.21Å; E227-R231 VanDerWaalsContact O-CG 3.27Å; E227-R231 WeakPolarHBondContact O-CG 3.29Å; E227-R231 PolarHBondContact O-N 3.32Å; E227-R231 VanDerWaalsContact O-N 3.15Å; E227-R231 IonicContact OE1-CZ 2.71Å; E227-R231 IonicContact OE1-NE 2.68Å; E227-R231 PolarHBondContact OE1-NE 3.35Å; E227-R231 IonicContact OE1-NH2 3.69Å; E227-R231 PolarHBondContact OE1-NH2 2.93Å
228I91.7Very high84.7Confident1 Ų161.4 Ų61.41%0.00531%0.312CS..Hα-helixtrans-64-47.8174-67164.1000110.7L202 L205 Y224 I225 E226 E230 R231 H232 A267L202-I228 HydrophobicContact CD2-CG2 4.48Å; L205-I228 HydrophobicContact CB-CD1 3.86Å; L205-I228 HydrophobicContact CB-CG1 3.58Å; L205-I228 HydrophobicContact CD1-CG1 3.99Å; L205-I228 HydrophobicContact CG-CG1 4.44Å; Y224-I228 WeakPolarHBondContact O-CG1 3.46Å; Y224-I228 PolarHBondContact O-N 3.45Å; I225-I228 PolarHBondContact O-N 2.87Å; E226-I228 VanDerWaalsContact C-N 3.29Å; E226-I228 PolarHBondContact O-N 3.3Å; I228-E230 PolarHBondContact O-N 3.27Å; I228-R231 PolarHBondContact O-N 3.39Å; I228-H232 WeakPolarHBondContact O-CB 3.27Å; I228-H232 PolarHBondContact O-N 3.44Å; I228-A267 HydrophobicContact CB-CB 4.42Å; I228-A267 HydrophobicContact CD1-CB 4.06Å; I228-A267 HydrophobicContact CG2-CB 3.98Å
229C88.7Confident82.3Confident33 Ų3364.8 Ų64.822%0.22334%0.34CS..Hα-helixtrans-60.5-45.5-179.5-64.50000111.7I225 E226 H232 A233I225-C229 PolarHBondContact O-N 3.23Å; I225-C229 PolarHBondContact O-SG 2.95Å; E226-C229 WeakPolarHBondContact O-CB 3.47Å; E226-C229 PolarHBondContact O-N 3.07Å; E226-C229 VanDerWaalsContact O-N 3.11Å; C229-H232 PolarHBondContact O-N 3.39Å; C229-A233 WeakPolarHBondContact O-CB 3.45Å; C229-A233 PolarHBondContact O-N 3Å
230E87.8Confident79.7Confident137 Ų13767.5 Ų67.564%0.6435%0.347SS*.Hα-helixtrans-63.6-45.5-179.5-73.1177.5178.100112.2E226 I228 A233 A234E226-E230 WeakPolarHBondContact O-CG 3.5Å; E226-E230 PolarHBondContact O-N 2.9Å; I228-E230 PolarHBondContact O-N 3.27Å; E230-A233 PolarHBondContact O-N 2.88Å; E230-A234 PolarHBondContact O-N 2.69Å
231R85.5Confident77.1Confident82 Ų8267.6 Ų67.631%0.30935%0.352SS..Hα-helixtrans-64.1-42.9178.1-73.1176.2179.6-142.29.5111.8R200 L202 E227 I228 A233 A234 E235R200-R231 PolarHBondContact O-NH1 3.44Å; L202-R231 HydrophobicContact CD2-CB 3.99Å; E227-R231 WeakPolarHBondContact O-CB 3.21Å; E227-R231 VanDerWaalsContact O-CG 3.27Å; E227-R231 WeakPolarHBondContact O-CG 3.29Å; E227-R231 PolarHBondContact O-N 3.32Å; E227-R231 VanDerWaalsContact O-N 3.15Å; E227-R231 IonicContact OE1-CZ 2.71Å; E227-R231 IonicContact OE1-NE 2.68Å; E227-R231 PolarHBondContact OE1-NE 3.35Å; E227-R231 IonicContact OE1-NH2 3.69Å; E227-R231 PolarHBondContact OE1-NH2 2.93Å; I228-R231 PolarHBondContact O-N 3.39Å; R231-A233 VanDerWaalsContact C-N 3.32Å; R231-A233 PolarHBondContact O-N 3.36Å; R231-A234 PolarHBondContact O-N 2.98Å; R231-E235 WeakPolarHBondContact O-CG 3.39Å; R231-E235 PolarHBondContact O-N 2.99Å
232H78.9Confident74.2Confident8 Ų878.1 Ų78.14%0.03739%0.392CS..Hα-helixtrans-62.6-41.2176.2-173-77000111.7I228 C229 A234 E235 F236 S262 L264I228-H232 WeakPolarHBondContact O-CB 3.27Å; I228-H232 PolarHBondContact O-N 3.44Å; C229-H232 PolarHBondContact O-N 3.39Å; H232-A234 VanDerWaalsContact C-N 3.33Å; H232-A234 PolarHBondContact O-N 3.36Å; H232-E235 PolarHBondContact O-N 3.02Å; H232-F236 AromaticContact CD2-CD2 3.62Å; H232-F236 AromaticContact CE1-CD2 3.88Å; H232-F236 AromaticContact CG-CD2 3.98Å; H232-F236 AromaticContact NE2-CD2 3.58Å; H232-F236 PolarHBondContact O-N 3.48Å; H232-S262 WeakPolarHBondContact NE2-CB 3.38Å; H232-L264 HydrophobicContact CB-CD1 4.28Å
233A79.3Confident71.6Confident42 Ų4286.3 Ų86.335%0.34743%0.427SS..Hα-helixtrans-61.5-42.1175.200000111.7C229 E230 R231 E235 L237C229-A233 WeakPolarHBondContact O-CB 3.45Å; C229-A233 PolarHBondContact O-N 3Å; E230-A233 PolarHBondContact O-N 2.88Å; R231-A233 VanDerWaalsContact C-N 3.32Å; R231-A233 PolarHBondContact O-N 3.36Å; A233-E235 PolarHBondContact O-N 3.28Å; A233-L237 VanDerWaalsContact O-CB 3.31Å; A233-L237 WeakPolarHBondContact O-CB 3.41Å; A233-L237 PolarHBondContact O-N 2.89Å
234A77.2Confident68.5Low87 Ų8785.6 Ų85.672%0.71944%0.441SS*.Hα-helixtrans-66.6-35.2177.800000113.6E230 R231 H232E230-A234 PolarHBondContact O-N 2.69Å; R231-A234 PolarHBondContact O-N 2.98Å; H232-A234 VanDerWaalsContact C-N 3.33Å; H232-A234 PolarHBondContact O-N 3.36Å
235E69.1Low65.6Low125 Ų12589 Ų8958%0.58447%0.473SS*.Hα-helixtrans-81.7-34.8-177.8-73.4178.3-171.800113.3R231 H232 A233R231-E235 WeakPolarHBondContact O-CG 3.39Å; R231-E235 PolarHBondContact O-N 2.99Å; H232-E235 PolarHBondContact O-N 3.02Å; A233-E235 PolarHBondContact O-N 3.28Å
236F62.6Low62.7Low92 Ų9297.8 Ų97.840%0.40451%0.514SS..Hα-helixtrans-123.7-14-165.9-61.4-79000115.7H232H232-F236 AromaticContact CD2-CD2 3.62Å; H232-F236 AromaticContact CE1-CD2 3.88Å; H232-F236 AromaticContact CG-CD2 3.98Å; H232-F236 AromaticContact NE2-CD2 3.58Å; H232-F236 PolarHBondContact O-N 3.48Å
237L61.3Low60.1Low50 Ų5097.4 Ų97.426%0.26254%0.536SS..SBendtrans-89.1117.7168.4-94.779.3000109.5A233A233-L237 VanDerWaalsContact O-CB 3.31Å; A233-L237 WeakPolarHBondContact O-CB 3.41Å; A233-L237 PolarHBondContact O-N 2.89Å
238Q50.9Low57.4Low132 Ų132102 Ų10262%0.61757%0.566SS**  trans-62.7145.9166.4-72.6-169.914.100109.9D240 T241Q238-D240 PolarHBondContact O-N 2.98Å; Q238-T241 PolarHBondContact O-N 3.38Å; Q238-T241 VanDerWaalsContact O-N 3.09Å; Q238-T241 PolarHBondContact O-OG1 3.25Å
239P43.3Very low54.8Low124 Ų124109.2 Ų109.281%0.80560%0.6SS**THydrogen-bonded Turntrans-58.3-12.6-172.818.9-30.9000115.6
240D40.6Very low52.6Low149 Ų149110.9 Ų110.980%0.79761%0.609SS**THydrogen-bonded Turntrans-86.5-0.8179.3-66.5-24.9000114.3Q238 R242Q238-D240 PolarHBondContact O-N 2.98Å; D240-R242 PolarHBondContact O-N 3.41Å
241T40.7Very low50.3Low62 Ų62111.9 Ų111.938%0.3861%0.613SS.*  trans-92.767.9176.8-26.70000110.3Q238 F243 V250Q238-T241 PolarHBondContact O-N 3.38Å; Q238-T241 VanDerWaalsContact O-N 3.09Å; Q238-T241 PolarHBondContact O-OG1 3.25Å; T241-F243 PolarHBondContact O-N 3.29Å; T241-V250 HydrophobicContact CG2-CG1 4.2Å
242R34.4Very low48.3Very low220 Ų220111.4 Ų111.483%0.8361%0.612SS**  trans-72123.3165.6-81.8-175.9176.9176.5-0.6108.4D240 S244D240-R242 PolarHBondContact O-N 3.41Å; R242-S244 VanDerWaalsContact C-N 3.34Å; R242-S244 PolarHBondContact O-N 2.86Å
243F39.9Very low46.4Very low200 Ų200115.4 Ų115.488%0.87765%0.646SS**  trans-42.597.1165.4-68.2-90.9000109.7T241T241-F243 PolarHBondContact O-N 3.29Å
244S32.1Very low44.4Very low108 Ų108115.7 Ų115.776%0.75565%0.653SS**  trans-85.7126.5163.9-71.10000106.2R242 E246R242-S244 VanDerWaalsContact C-N 3.34Å; R242-S244 PolarHBondContact O-N 2.86Å; S244-E246 PolarHBondContact O-N 2.94Å
245A33.1Very low42.9Very low90 Ų90116.4 Ų116.474%0.74465%0.645SS**SBendtrans-48.2139.5169.900000109.7
246E34.5Very low41.8Very low183 Ų183118.5 Ų118.586%0.85565%0.652SS**SBendtrans68.893.3167.3-63.3172.6167.300116.5S244S244-E246 PolarHBondContact O-N 2.94Å
247G37.1Very low41.1Very low88 Ų88115.6 Ų115.691%0.90765%0.648SS**  trans91.211.3133.300000119.8
248T36Very low40.3Very low128 Ų128117.3 Ų117.379%0.78566%0.656SS**  trans-108.9126.9174.5-400000112.2V250T248-V250 PolarHBondContact O-N 3.5Å
249E37.5Very low40.2Very low153 Ų153112.5 Ų112.572%0.71563%0.634SS**  trans-52.5119.5-179.6-74.3-174.8158.400112H251E249-H251 PolarHBondContact O-N 2.9Å
250V42.4Very low40.5Very low68 Ų68111.9 Ų111.941%0.41262%0.62SS.*  trans-68.1105.8172.3-177.80000108.3T241 T248 Y252T241-V250 HydrophobicContact CG2-CG1 4.2Å; T248-V250 PolarHBondContact O-N 3.5Å; V250-Y252 HydrophobicContact CB-CE2 4.16Å; V250-Y252 HydrophobicContact CG1-CD2 4.31Å; V250-Y252 HydrophobicContact CG1-CE2 3.98Å; V250-Y252 VanDerWaalsContact O-CD2 3.3Å; V250-Y252 WeakPolarHBondContact O-CD2 3.47Å; V250-Y252 PolarHBondContact O-N 3.39Å; V250-Y252 VanDerWaalsContact O-N 3.16Å
251H40.3Very low41Very low159 Ų159110 Ų11074%0.73661%0.607SS**  trans-75.4102.4171.9-73.6-40.3000109.9E249 A253E249-H251 PolarHBondContact O-N 2.9Å; H251-A253 PolarHBondContact O-N 3.28Å
252Y44.1Very low42.1Very low72 Ų72107.4 Ų107.428%0.28259%0.591SS.*  trans-6796.3170.9-69.7-99.2000109.8V250 G254 L259 P306 P307V250-Y252 HydrophobicContact CB-CE2 4.16Å; V250-Y252 HydrophobicContact CG1-CD2 4.31Å; V250-Y252 HydrophobicContact CG1-CE2 3.98Å; V250-Y252 VanDerWaalsContact O-CD2 3.3Å; V250-Y252 WeakPolarHBondContact O-CD2 3.47Å; V250-Y252 PolarHBondContact O-N 3.39Å; V250-Y252 VanDerWaalsContact O-N 3.16Å; Y252-G254 VanDerWaalsContact C-N 3.3Å; Y252-G254 PolarHBondContact O-N 3.35Å; Y252-L259 HydrophobicContact CD1-CD1 3.77Å; Y252-L259 HydrophobicContact CD1-CD2 3.81Å; Y252-L259 HydrophobicContact CD1-CG 4.29Å; Y252-L259 HydrophobicContact CE1-CD2 3.89Å; Y252-L259 HydrophobicContact CG-CD1 3.73Å; Y252-L259 HydrophobicContact CG-CD2 4.44Å; Y252-P306 HydrophobicContact CE1-CB 4.32Å; Y252-P306 HydrophobicContact CE1-CG 4.44Å; Y252-P306 HydrophobicContact CE2-CB 4.14Å; Y252-P307 HydrophobicContact CD2-CG 4.24Å; Y252-P307 HydrophobicContact CE2-CG 3.98Å
253A37.8Very low44.4Very low91 Ų9197.3 Ų97.375%0.75255%0.554SS**  trans-79.975.4174.700000110.2H251H251-A253 PolarHBondContact O-N 3.28Å
254G37.8Very low46.8Very low48 Ų4888.2 Ų88.250%0.49552%0.515SS..SBendtrans176.4121.9174.500000111.7Y252 K256Y252-G254 VanDerWaalsContact C-N 3.3Å; Y252-G254 PolarHBondContact O-N 3.35Å; G254-K256 PolarHBondContact O-N 3.04Å
255N44.9Very low49.4Very low103 Ų10384 Ų8455%0.55148%0.484SS*.  trans8.998.5175.4-83.8-26.1000115.4G257 M258N255-G257 PolarHBondContact O-N 3.47Å; N255-M258 HydrophobicContact CB-CB 4.28Å; N255-M258 HydrophobicContact CB-CG 3.98Å; N255-M258 PolarHBondContact O-N 3.15Å
256K47.7Very low52.2Low169 Ų16983.4 Ų83.474%0.73547%0.465SS*.Hα-helixtrans-48.7-24.1175.6-75-175.6175-1750114.2G254G254-K256 PolarHBondContact O-N 3.04Å
257G47.1Very low55Low31 Ų3174.7 Ų74.732%0.3242%0.424SS..Hα-helixtrans-74.7-24.7173.900000115.2N255 Q261N255-G257 PolarHBondContact O-N 3.47Å; G257-Q261 WeakPolarHBondContact O-CG 3.3Å
258M43.5Very low57.7Low85 Ų8571.5 Ų71.542%0.41939%0.386SS..Hα-helixtrans-81.3-28.8178.5-71.7-151.47400113.2N255 Q260 Q261 S262N255-M258 HydrophobicContact CB-CB 4.28Å; N255-M258 HydrophobicContact CB-CG 3.98Å; N255-M258 PolarHBondContact O-N 3.15Å; M258-Q260 VanDerWaalsContact C-N 3.3Å; M258-Q260 PolarHBondContact O-N 3.02Å; M258-Q261 CarbonylContact O-C 3.59Å; M258-Q261 WeakPolarHBondContact O-CA 3.41Å; M258-Q261 WeakPolarHBondContact O-CB 3.46Å; M258-Q261 PolarHBondContact O-N 3.3Å; M258-S262 PolarHBondContact O-N 3.31Å; M258-S262 VanDerWaalsContact O-N 3.14Å
259L49Very low60.4Low32 Ų3265.8 Ų65.817%0.16835%0.35CS..Hα-helixtrans-62.3-37.8172.4-93.6148.9000112.4Y252 Q261 S262 P306Y252-L259 HydrophobicContact CD1-CD1 3.77Å; Y252-L259 HydrophobicContact CD1-CD2 3.81Å; Y252-L259 HydrophobicContact CD1-CG 4.29Å; Y252-L259 HydrophobicContact CE1-CD2 3.89Å; Y252-L259 HydrophobicContact CG-CD1 3.73Å; Y252-L259 HydrophobicContact CG-CD2 4.44Å; L259-Q261 PolarHBondContact O-N 2.99Å; L259-S262 PolarHBondContact O-N 3.04Å; L259-S262 PolarHBondContact O-OG 3.24Å; L259-P306 HydrophobicContact CD2-CB 3.78Å; L259-P306 HydrophobicContact CD2-CG 3.79Å
260Q50Low63.2Low110 Ų11059 Ų5951%0.51432%0.319SS..THydrogen-bonded Turntrans-69.4-13.9172.1-71.2-170.4-28.500113.4M258M258-Q260 VanDerWaalsContact C-N 3.3Å; M258-Q260 PolarHBondContact O-N 3.02Å
261Q51.3Low65.7Low111 Ų11158 Ų5852%0.51931%0.309SS..THydrogen-bonded Turntrans-96.5-7.9176.2-67.41752.700112.6G257 M258 L259G257-Q261 WeakPolarHBondContact O-CG 3.3Å; M258-Q261 CarbonylContact O-C 3.59Å; M258-Q261 WeakPolarHBondContact O-CA 3.41Å; M258-Q261 WeakPolarHBondContact O-CB 3.46Å; M258-Q261 PolarHBondContact O-N 3.3Å; L259-Q261 PolarHBondContact O-N 2.99Å
262S64Low68.2Low7 Ų750.6 Ų50.65%0.04928%0.275CS..SBendtrans-82.3131.8175.473.50000109.7H232 M258 L259 L264H232-S262 WeakPolarHBondContact NE2-CB 3.38Å; M258-S262 PolarHBondContact O-N 3.31Å; M258-S262 VanDerWaalsContact O-N 3.14Å; L259-S262 PolarHBondContact O-N 3.04Å; L259-S262 PolarHBondContact O-OG 3.24Å; S262-L264 PolarHBondContact O-N 3.09Å; S262-L264 WeakPolarHBondContact OG-CB 3.48Å
263V83.5Confident70.5Confident8 Ų848.2 Ų48.25%0.04827%0.27CS..THydrogen-bonded Turntrans-64.89.5173.7-163.50000112.4L202 D203 Y206 E266 A267L202-V263 HydrophobicContact CB-CB 4.4Å; L202-V263 HydrophobicContact CB-CG2 4.04Å; D203-V263 HydrophobicContact CB-CG2 4.45Å; D203-V263 WeakPolarHBondContact OD1-CG2 3.48Å; Y206-V263 HydrophobicContact CD1-CG1 3.98Å; Y206-V263 HydrophobicContact CD2-CG1 3.96Å; Y206-V263 HydrophobicContact CG-CG1 3.46Å; Y206-V263 VanDerWaalsContact CG-CG1 3.46Å; V263-E266 VanDerWaalsContact CA-OE2 3.3Å; V263-E266 WeakPolarHBondContact CA-OE2 3.4Å; V263-E266 HydrophobicContact CG1-CB 4.09Å; V263-A267 VanDerWaalsContact O-CB 3.31Å; V263-A267 WeakPolarHBondContact O-CB 3.48Å; V263-A267 PolarHBondContact O-N 3.13Å
264L88.4Confident73.2Confident9 Ų943.9 Ų43.95%0.04723%0.234CC..Hα-helixtrans-69.3-38.4-175.4-170.667.1000111.4H232 S262 A267 F268 P306H232-L264 HydrophobicContact CB-CD1 4.28Å; S262-L264 PolarHBondContact O-N 3.09Å; S262-L264 WeakPolarHBondContact OG-CB 3.48Å; L264-A267 PolarHBondContact O-N 3.37Å; L264-F268 HydrophobicContact CD1-CD2 4.04Å; L264-F268 HydrophobicContact CD1-CE2 3.65Å; L264-F268 HydrophobicContact CD2-CE2 4.17Å; L264-F268 HydrophobicContact CG-CD2 3.84Å; L264-F268 HydrophobicContact CG-CE2 3.7Å; L264-F268 VanDerWaalsContact O-CD2 3.24Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 3.17Å; L264-P306 HydrophobicContact CD2-CG 3.72Å
265I88Confident75.7Confident20 Ų2042.8 Ų42.810%0.10322%0.216CC..Hα-helixtrans-64.6-46.4178-68165.1000109.4F268 N269 D314I265-F268 PolarHBondContact O-N 3.07Å; I265-N269 WeakPolarHBondContact O-CB 3.39Å; I265-N269 PolarHBondContact O-N 3.42Å; I265-N269 PolarHBondContact O-ND2 3.5Å; I265-D314 WeakPolarHBondContact CG2-OD1 3.49Å
266E90.8Very high77.8Confident76 Ų7640.5 Ų40.536%0.35520%0.202SC..Hα-helixtrans-60.6-45.3176.3-65.587.5163.100111.1Y206 V263 F268 N269 L270Y206-E266 HydrophobicContact CD2-CB 3.98Å; Y206-E266 HydrophobicContact CE1-CB 4.1Å; Y206-E266 VanDerWaalsContact CE2-C 3.45Å; Y206-E266 HydrophobicContact CE2-CB 3.52Å; Y206-E266 WeakPolarHBondContact CE2-O 3.42Å; Y206-E266 HydrophobicContact CG-CB 4.47Å; V263-E266 VanDerWaalsContact CA-OE2 3.3Å; V263-E266 WeakPolarHBondContact CA-OE2 3.4Å; V263-E266 HydrophobicContact CG1-CB 4.09Å; E266-F268 PolarHBondContact O-N 2.86Å; E266-N269 PolarHBondContact O-N 2.68Å; E266-L270 WeakPolarHBondContact O-CB 3.27Å; E266-L270 PolarHBondContact O-N 3.16Å
267A93.7Very high79.6Confident0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-61.9-43.1177.400000112.7I225 I228 V263 L264 L270 K271I225-A267 HydrophobicContact CG2-CB 4.37Å; I228-A267 HydrophobicContact CB-CB 4.42Å; I228-A267 HydrophobicContact CD1-CB 4.06Å; I228-A267 HydrophobicContact CG2-CB 3.98Å; V263-A267 VanDerWaalsContact O-CB 3.31Å; V263-A267 WeakPolarHBondContact O-CB 3.48Å; V263-A267 PolarHBondContact O-N 3.13Å; L264-A267 PolarHBondContact O-N 3.37Å; A267-L270 PolarHBondContact O-N 3.07Å; A267-K271 WeakPolarHBondContact O-CB 3.32Å; A267-K271 PolarHBondContact O-N 3.22Å
268F93.7Very high81.3Confident21 Ų2140.5 Ų40.59%0.09220%0.196CC..Hα-helixtrans-69.8-35.4175.4-83.1-65.1000112.8L264 I265 E266 L270 K271 A272 A301 N304 M305L264-F268 HydrophobicContact CD1-CD2 4.04Å; L264-F268 HydrophobicContact CD1-CE2 3.65Å; L264-F268 HydrophobicContact CD2-CE2 4.17Å; L264-F268 HydrophobicContact CG-CD2 3.84Å; L264-F268 HydrophobicContact CG-CE2 3.7Å; L264-F268 VanDerWaalsContact O-CD2 3.24Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 3.17Å; I265-F268 PolarHBondContact O-N 3.07Å; E266-F268 PolarHBondContact O-N 2.86Å; F268-L270 VanDerWaalsContact C-N 3.31Å; F268-L270 PolarHBondContact O-N 3.2Å; F268-K271 HydrophobicContact CD1-CD 4.44Å; F268-K271 WeakPolarHBondContact O-CB 3.48Å; F268-K271 PolarHBondContact O-N 3.25Å; F268-A272 WeakPolarHBondContact O-CB 3.49Å; F268-A272 PolarHBondContact O-N 2.89Å; F268-A301 VanDerWaalsContact CD1-O 3.23Å; F268-A301 WeakPolarHBondContact CD1-O 3.43Å; F268-N304 HydrophobicContact CD1-CB 4.39Å; F268-N304 HydrophobicContact CE1-CB 3.7Å; F268-N304 HydrophobicContact CZ-CB 3.99Å; F268-M305 HydrophobicContact CB-CE 3.5Å; F268-M305 HydrophobicContact CB-CG 3.46Å; F268-M305 VanDerWaalsContact CB-CG 3.46Å; F268-M305 HydrophobicContact CB-SD 4.25Å; F268-M305 HydrophobicContact CD2-CG 4.04Å; F268-M305 HydrophobicContact CG-CG 3.85Å
269N93.8Very high82.6Confident8 Ų842.7 Ų42.74%0.04320%0.203CC..Hα-helixtrans-62.3-42173.3-84.9-36.2000110.5I265 E266 A272 A273 M305 I316 T317 N320I265-N269 WeakPolarHBondContact O-CB 3.39Å; I265-N269 PolarHBondContact O-N 3.42Å; I265-N269 PolarHBondContact O-ND2 3.5Å; E266-N269 PolarHBondContact O-N 2.68Å; N269-A272 PolarHBondContact O-N 3.35Å; N269-A273 WeakPolarHBondContact O-CB 3.25Å; N269-A273 PolarHBondContact O-N 3.12Å; N269-M305 HydrophobicContact CB-CE 4.33Å; N269-M305 WeakPolarHBondContact OD1-CE 3.26Å; N269-I316 HydrophobicContact CB-CG2 4.06Å; N269-T317 VanDerWaalsContact CG-OG1 3.32Å; N269-T317 PolarHBondContact ND2-OG1 2.84Å; N269-T317 VanDerWaalsContact OD1-CA 3.25Å; N269-T317 WeakPolarHBondContact OD1-CA 3.27Å; N269-T317 PolarHBondContact OD1-OG1 3.06Å; N269-N320 PolarHBondContact O-ND2 2.96Å; N269-N320 PolarHBondContact OD1-ND2 3.26Å
270L95.5Very high82.9Confident12 Ų1244 Ų446%0.06321%0.21CC..Hα-helixtrans-65.1-41.7175-174.662.4000111.7Y206 A209 V210 Y213 I225 E266 A267 F268 A273 I274Y206-L270 HydrophobicContact CD2-CD2 4.49Å; Y206-L270 HydrophobicContact CE2-CB 4.17Å; Y206-L270 HydrophobicContact CE2-CD2 4.11Å; A209-L270 HydrophobicContact CB-CD2 3.68Å; V210-L270 HydrophobicContact CG2-CD2 3.83Å; Y213-L270 HydrophobicContact CD1-CD1 3.82Å; Y213-L270 HydrophobicContact CD2-CD1 4.16Å; Y213-L270 HydrophobicContact CE1-CD1 4.39Å; Y213-L270 HydrophobicContact CG-CD1 3.68Å; I225-L270 HydrophobicContact CD1-CB 4.17Å; I225-L270 HydrophobicContact CD1-CD2 3.92Å; I225-L270 HydrophobicContact CD1-CG 3.9Å; I225-L270 HydrophobicContact CG1-CD2 4.25Å; E266-L270 WeakPolarHBondContact O-CB 3.27Å; E266-L270 PolarHBondContact O-N 3.16Å; A267-L270 PolarHBondContact O-N 3.07Å; F268-L270 VanDerWaalsContact C-N 3.31Å; F268-L270 PolarHBondContact O-N 3.2Å; L270-A273 PolarHBondContact O-N 3.47Å; L270-I274 HydrophobicContact CG-CD1 4.15Å; L270-I274 WeakPolarHBondContact O-CG1 3.4Å; L270-I274 PolarHBondContact O-N 3.26Å
271K94.6Very high82.7Confident47 Ų4742.2 Ų42.220%0.20421%0.209CC..Hα-helixtrans-58.1-49.1173.9-172.4170177.3165.70111.5M222 I225 A267 F268 A273 I274 E275 A301M222-K271 HydrophobicContact CE-CD 4.19Å; M222-K271 HydrophobicContact CE-CG 4.06Å; M222-K271 HydrophobicContact SD-CG 3.98Å; I225-K271 HydrophobicContact CD1-CB 4.26Å; I225-K271 HydrophobicContact CG2-CB 4.11Å; I225-K271 HydrophobicContact CG2-CD 4.26Å; A267-K271 WeakPolarHBondContact O-CB 3.32Å; A267-K271 PolarHBondContact O-N 3.22Å; F268-K271 HydrophobicContact CD1-CD 4.44Å; F268-K271 WeakPolarHBondContact O-CB 3.48Å; F268-K271 PolarHBondContact O-N 3.25Å; K271-A273 VanDerWaalsContact C-N 3.29Å; K271-A273 PolarHBondContact O-N 3.43Å; K271-I274 PolarHBondContact O-N 3.23Å; K271-E275 HydrophobicContact CG-CG 4.49Å; K271-E275 WeakPolarHBondContact O-CG 3.4Å; K271-E275 PolarHBondContact O-N 3.43Å; K271-A301 HydrophobicContact CB-CB 4.17Å; K271-A301 HydrophobicContact CD-CB 4.1Å; K271-A301 HydrophobicContact CG-CB 3.87Å
272A93.3Very high82.2Confident2 Ų240 Ų402%0.01720%0.2CC..Hα-helixtrans-59.1-42177.600000111.3F268 N269 E275 F276 A298 A301 I302F268-A272 WeakPolarHBondContact O-CB 3.49Å; F268-A272 PolarHBondContact O-N 2.89Å; N269-A272 PolarHBondContact O-N 3.35Å; A272-E275 PolarHBondContact O-N 3.24Å; A272-F276 WeakPolarHBondContact O-CB 3.25Å; A272-F276 PolarHBondContact O-N 2.87Å; A272-A298 HydrophobicContact CB-CB 4.48Å; A272-A298 WeakPolarHBondContact O-CB 3.41Å; A272-A301 HydrophobicContact CB-CB 4.04Å; A272-I302 HydrophobicContact CB-CD1 4.28Å; A272-I302 HydrophobicContact CB-CG1 3.81Å
273A93.3Very high81Confident22 Ų2241.7 Ų41.718%0.18221%0.212CC..Hα-helixtrans-64.2-41.8176.800000113N269 L270 K271 F276 K277N269-A273 WeakPolarHBondContact O-CB 3.25Å; N269-A273 PolarHBondContact O-N 3.12Å; L270-A273 PolarHBondContact O-N 3.47Å; K271-A273 VanDerWaalsContact C-N 3.29Å; K271-A273 PolarHBondContact O-N 3.43Å; A273-F276 PolarHBondContact O-N 3.41Å; A273-K277 WeakPolarHBondContact O-CB 3.35Å; A273-K277 VanDerWaalsContact O-CG 3.26Å; A273-K277 WeakPolarHBondContact O-CG 3.45Å; A273-K277 PolarHBondContact O-N 3.42Å
274I93.6Very high78.8Confident0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-63-49.7176.1-69.5165.6000110.6Y213 Y218 A221 M222 I225 L270 K271 F276 K277 L278Y213-I274 HydrophobicContact CD2-CD1 4.29Å; Y213-I274 HydrophobicContact CD2-CG1 3.55Å; Y213-I274 HydrophobicContact CE2-CG1 4.01Å; Y218-I274 HydrophobicContact CD1-CG1 4.17Å; Y218-I274 HydrophobicContact CD1-CG2 4.09Å; Y218-I274 HydrophobicContact CG-CG2 4.17Å; A221-I274 HydrophobicContact CB-CD1 3.73Å; M222-I274 HydrophobicContact CG-CD1 4.38Å; M222-I274 HydrophobicContact CG-CG2 4.19Å; M222-I274 HydrophobicContact SD-CD1 4.22Å; M222-I274 HydrophobicContact SD-CG2 4.24Å; I225-I274 HydrophobicContact CD1-CD1 3.77Å; L270-I274 HydrophobicContact CG-CD1 4.15Å; L270-I274 WeakPolarHBondContact O-CG1 3.4Å; L270-I274 PolarHBondContact O-N 3.26Å; K271-I274 PolarHBondContact O-N 3.23Å; I274-F276 VanDerWaalsContact C-N 3.29Å; I274-F276 PolarHBondContact O-N 2.93Å; I274-K277 WeakPolarHBondContact O-CB 3.25Å; I274-K277 PolarHBondContact O-N 3.41Å; I274-L278 HydrophobicContact CG2-CD1 3.87Å; I274-L278 HydrophobicContact CG2-CG 4.39Å; I274-L278 WeakPolarHBondContact O-CG 3.43Å; I274-L278 PolarHBondContact O-N 3.16Å
275E90.7Very high76.4Confident25 Ų2546 Ų4612%0.11723%0.231CC..Hα-helixtrans-63.3-36.8179.6-69.3-68.617100111.9K271 A272 K279 N280 N297 A298K271-E275 HydrophobicContact CG-CG 4.49Å; K271-E275 WeakPolarHBondContact O-CG 3.4Å; K271-E275 PolarHBondContact O-N 3.43Å; A272-E275 PolarHBondContact O-N 3.24Å; E275-K279 PolarHBondContact O-N 3.05Å; E275-N280 PolarHBondContact OE2-ND2 3.04Å; E275-N297 HydrophobicContact CB-CB 3.94Å; E275-N297 HydrophobicContact CG-CB 3.83Å; E275-N297 WeakPolarHBondContact OE2-CB 3.39Å; E275-N297 PolarHBondContact OE2-ND2 2.81Å; E275-A298 HydrophobicContact CB-CB 3.99Å
276F88.7Confident73.9Confident56 Ų5653.5 Ų53.525%0.24626%0.263CS..Hα-helixtrans-64.6-45174.1-169.7-86.6000111.5A272 A273 I274 K279 Y295 A298 L323 V324A272-F276 WeakPolarHBondContact O-CB 3.25Å; A272-F276 PolarHBondContact O-N 2.87Å; A273-F276 PolarHBondContact O-N 3.41Å; I274-F276 VanDerWaalsContact C-N 3.29Å; I274-F276 PolarHBondContact O-N 2.93Å; F276-K279 PolarHBondContact O-N 2.99Å; F276-Y295 AromaticContact CD2-CD1 3.45Å; F276-Y295 HydrophobicContact CD2-CD1 3.45Å; F276-Y295 VanDerWaalsContact CD2-CD1 3.45Å; F276-Y295 HydrophobicContact CD2-CD2 4.14Å; F276-Y295 AromaticContact CD2-CE1 3.86Å; F276-Y295 HydrophobicContact CD2-CE1 3.86Å; F276-Y295 HydrophobicContact CD2-CE2 4.49Å; F276-Y295 AromaticContact CD2-CG 3.59Å; F276-Y295 HydrophobicContact CD2-CG 3.59Å; F276-Y295 HydrophobicContact CE1-CE1 4.34Å; F276-Y295 AromaticContact CE2-CD1 3.64Å; F276-Y295 HydrophobicContact CE2-CD1 3.64Å; F276-Y295 AromaticContact CE2-CD2 3.69Å; F276-Y295 HydrophobicContact CE2-CD2 3.69Å; F276-Y295 AromaticContact CE2-CE1 3.67Å; F276-Y295 HydrophobicContact CE2-CE1 3.67Å; F276-Y295 AromaticContact CE2-CE2 3.73Å; F276-Y295 HydrophobicContact CE2-CE2 3.73Å; F276-Y295 AromaticContact CE2-CG 3.64Å; F276-Y295 HydrophobicContact CE2-CG 3.64Å; F276-Y295 AromaticContact CE2-CZ 3.71Å; F276-Y295 HydrophobicContact CG-CD1 4.02Å; F276-Y295 HydrophobicContact CG-CE1 4.27Å; F276-Y295 HydrophobicContact CZ-CD1 4.35Å; F276-Y295 AromaticContact CZ-CE1 3.93Å; F276-Y295 HydrophobicContact CZ-CE1 3.93Å; F276-Y295 HydrophobicContact CZ-CE2 4.17Å; F276-Y295 AromaticContact CZ-CZ 3.82Å; F276-A298 HydrophobicContact CB-CB 4.2Å; F276-L323 HydrophobicContact CE2-CB 3.93Å; F276-L323 HydrophobicContact CZ-CB 4.1Å; F276-V324 HydrophobicContact CD2-CG2 4.2Å
277K85.5Confident71.2Confident126 Ų12651.7 Ų51.755%0.54826%0.258SS..Hα-helixtrans-62.7-43.6177.7-81.4-98.2-179.9-164.40112.9Y213 A273 I274 K279Y213-K277 HydrophobicContact CE2-CG 4.38Å; Y213-K277 WeakPolarHBondContact OH-CE 3.43Å; A273-K277 WeakPolarHBondContact O-CB 3.35Å; A273-K277 VanDerWaalsContact O-CG 3.26Å; A273-K277 WeakPolarHBondContact O-CG 3.45Å; A273-K277 PolarHBondContact O-N 3.42Å; I274-K277 WeakPolarHBondContact O-CB 3.25Å; I274-K277 PolarHBondContact O-N 3.41Å; K277-K279 PolarHBondContact O-N 3.04Å; K277-K279 VanDerWaalsContact O-N 3.15Å
278L83.5Confident68.7Low73 Ų7358 Ų5838%0.38229%0.287SS..THydrogen-bonded Turntrans-67-11.2179.4-72.5174.5000112.6Y218 I274 N280Y218-L278 HydrophobicContact CD2-CD2 3.62Å; Y218-L278 HydrophobicContact CD2-CG 4.27Å; Y218-L278 HydrophobicContact CE2-CD2 4.02Å; Y218-L278 HydrophobicContact CG-CD2 4.38Å; I274-L278 HydrophobicContact CG2-CD1 3.87Å; I274-L278 HydrophobicContact CG2-CG 4.39Å; I274-L278 WeakPolarHBondContact O-CG 3.43Å; I274-L278 PolarHBondContact O-N 3.16Å; L278-N280 PolarHBondContact O-N 3.2Å; L278-N280 VanDerWaalsContact O-N 3.14Å
279K69.8Low66.1Low131 Ų13158.8 Ų58.857%0.5730%0.296SS*.THydrogen-bonded Turntrans43.547.9-174.8-62.2-175.4-179.9-176.10109.6E275 F276 K277 C281 Y295E275-K279 PolarHBondContact O-N 3.05Å; F276-K279 PolarHBondContact O-N 2.99Å; K277-K279 PolarHBondContact O-N 3.04Å; K277-K279 VanDerWaalsContact O-N 3.15Å; K279-C281 PolarHBondContact O-N 3.31Å; K279-C281 PolarHBondContact O-SG 3.03Å; K279-Y295 HydrophobicContact CG-CE1 4.5Å
280N54.7Low63.5Low60 Ų6060 Ų6032%0.32130%0.302SS..  trans-66.983.3-179.9-79.7-27.2000108.4E275 L278 I282E275-N280 PolarHBondContact OE2-ND2 3.04Å; L278-N280 PolarHBondContact O-N 3.2Å; L278-N280 VanDerWaalsContact O-N 3.14Å; N280-I282 PolarHBondContact O-N 2.92Å
281C45.9Very low61.1Low72 Ų7265.2 Ų65.249%0.48633%0.326SS..  trans-76.9108.9169.6-51.70000105.8K279 S283K279-C281 PolarHBondContact O-N 3.31Å; K279-C281 PolarHBondContact O-SG 3.03Å; C281-S283 PolarHBondContact O-N 3.43Å
282I41Very low58.9Low64 Ų6464.6 Ų64.633%0.32833%0.327SS..  trans-65.3117.8154.8-65.6162000104N280 K286 L296N280-I282 PolarHBondContact O-N 2.92Å; I282-K286 HydrophobicContact CG2-CB 3.62Å; I282-L296 HydrophobicContact CD1-CD2 4.05Å
283S39.4Very low57.2Low44 Ų4466.4 Ų66.431%0.30834%0.338SS..  trans-45.7138.7174132.30000108C281 W285 K286 D548C281-S283 PolarHBondContact O-N 3.43Å; S283-W285 PolarHBondContact O-N 2.93Å; S283-W285 PolarHBondContact OG-N 3.42Å; S283-K286 PolarHBondContact O-N 3.3Å; S283-D548 PolarHBondContact OG-OD2 3.43Å
284P37.9Very low55.8Low29 Ų2968.2 Ų68.219%0.18834%0.344CS..THydrogen-bonded Turntrans-48.2-20.4-175.7-19.320.4000114.1D548P284-D548 HydrophobicContact CG-CB 4.26Å
285W37.1Very low55.1Low77 Ų7770.1 Ų70.129%0.29235%0.352SS..THydrogen-bonded Turntrans-94.7-15.5-176.2-70.683.2000116S283 D548 E580 L584S283-W285 PolarHBondContact O-N 2.93Å; S283-W285 PolarHBondContact OG-N 3.42Å; W285-D548 VanDerWaalsContact CD1-OD2 3.31Å; W285-D548 PolarHBondContact NE1-OD1 3.43Å; W285-E580 HydrophobicContact CE3-CG 4.4Å; W285-E580 HydrophobicContact CH2-CB 3.16Å; W285-E580 HydrophobicContact CH2-CG 3.46Å; W285-E580 VanDerWaalsContact CH2-CG 3.46Å; W285-E580 WeakPolarHBondContact CH2-O 2.99Å; W285-E580 HydrophobicContact CZ2-CB 3.7Å; W285-E580 HydrophobicContact CZ2-CG 3.84Å; W285-E580 HydrophobicContact CZ3-CB 3.81Å; W285-E580 HydrophobicContact CZ3-CG 3.72Å; W285-E580 WeakPolarHBondContact CZ3-OE2 3.42Å; W285-L584 HydrophobicContact CH2-CD1 3.36Å; W285-L584 HydrophobicContact CH2-CG 3.86Å; W285-L584 HydrophobicContact CZ2-CD1 3.94Å; W285-L584 HydrophobicContact CZ3-CD1 3.9Å; W285-L584 HydrophobicContact CZ3-CD2 4.3Å; W285-L584 HydrophobicContact CZ3-CG 3.9Å
286K36.5Very low54.6Low178 Ų17871 Ų7177%0.77436%0.357SS*.THydrogen-bonded Turntrans-85.5-19.4178.1-86-174.3179.31780113.4I282 S283I282-K286 HydrophobicContact CG2-CB 3.62Å; S283-K286 PolarHBondContact O-N 3.3Å
287S34.1Very low54.5Low38 Ų3870.2 Ų70.227%0.26636%0.355SS..SBendtrans-107.9134.11661090000106.2S289S287-S289 PolarHBondContact O-N 2.95Å
288H40.3Very low54.7Low132 Ų13264.2 Ų64.261%0.61133%0.329SS*.SBendtrans-72.640.6-174.6-63.469.4000113T587H288-T587 HydrophobicContact CB-CG2 3.52Å
289S38.4Very low54.8Low39 Ų3962.3 Ų62.327%0.27332%0.324SS..SBendtrans-140.5112.9-179.2154.70000108.4S287 H291S287-S289 PolarHBondContact O-N 2.95Å; S289-H291 CarbonylContact O-C 3.55Å; S289-H291 PolarHBondContact O-N 3.36Å; S289-H291 VanDerWaalsContact O-O 3.14Å; S289-H291 PolarHBondContact OG-N 2.78Å; S289-H291 PolarHBondContact OG-O 3.05Å
290M39.7Very low55.7Low33 Ų3360.5 Ų60.516%0.16332%0.318CS..SBendtrans-70.78.1178.2-152-179.570.900114.2L584 L593 H595M290-L584 HydrophobicContact CB-CD1 3.88Å; M290-L584 HydrophobicContact CG-CD1 3.86Å; M290-L584 HydrophobicContact SD-CD1 3.64Å; M290-L593 HydrophobicContact CB-CD2 3.89Å; M290-L593 HydrophobicContact CE-CB 4.02Å; M290-L593 HydrophobicContact CE-CD2 3.22Å; M290-L593 HydrophobicContact CE-CG 4.2Å; M290-L593 HydrophobicContact CG-CD2 4.3Å; M290-L593 HydrophobicContact SD-CD2 3.51Å; M290-L593 VanDerWaalsContact SD-CD2 3.51Å; M290-H595 WeakPolarHBondContact CE-ND1 3.2Å; M290-H595 VanDerWaalsContact SD-CE1 3.55Å
291H45.4Very low57.4Low122 Ų12257.7 Ų57.757%0.56530%0.303SS*.SBendtrans-85.5100.3148.4-88.565.5000107.2S289 V293S289-H291 CarbonylContact O-C 3.55Å; S289-H291 PolarHBondContact O-N 3.36Å; S289-H291 VanDerWaalsContact O-O 3.14Å; S289-H291 PolarHBondContact OG-N 2.78Å; S289-H291 PolarHBondContact OG-O 3.05Å; H291-V293 HydrophobicContact CB-CG2 4.23Å; H291-V293 PolarHBondContact O-N 3.42Å
292S47.3Very low59.4Low34 Ų3455.3 Ų55.324%0.23829%0.285CS..  trans-51.794.8148.41390000106L294S292-L294 PolarHBondContact O-N 3Å
293V57.7Low61.6Low39 Ų3956.1 Ų56.124%0.23630%0.301CS..  trans-73.388.8170.2176.30000103.9H291 Y295 L296H291-V293 HydrophobicContact CB-CG2 4.23Å; H291-V293 PolarHBondContact O-N 3.42Å; V293-Y295 PolarHBondContact O-N 3.25Å; V293-L296 HydrophobicContact CB-CB 4.07Å; V293-L296 HydrophobicContact CB-CD1 4.12Å; V293-L296 HydrophobicContact CG1-CB 4.03Å; V293-L296 HydrophobicContact CG1-CD1 3.96Å; V293-L296 WeakPolarHBondContact O-CB 3.24Å; V293-L296 PolarHBondContact O-N 2.7Å
294L65.4Low63.8Low61 Ų6158.6 Ų58.632%0.31931%0.311SS..THydrogen-bonded Turntrans-46.9132.4166.3-106.2100.1000106.5S292 L296 A327S292-L294 PolarHBondContact O-N 3Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.37Å; L294-A327 HydrophobicContact CB-CB 4Å
295Y77.9Confident66.1Low40 Ų4058 Ų5816%0.15731%0.305CS..THydrogen-bonded Turntrans6923.7-179.2-35.1-66.2000115.3F276 K279 V293 N297 A298 A299 A327F276-Y295 AromaticContact CD2-CD1 3.45Å; F276-Y295 HydrophobicContact CD2-CD1 3.45Å; F276-Y295 VanDerWaalsContact CD2-CD1 3.45Å; F276-Y295 HydrophobicContact CD2-CD2 4.14Å; F276-Y295 AromaticContact CD2-CE1 3.86Å; F276-Y295 HydrophobicContact CD2-CE1 3.86Å; F276-Y295 HydrophobicContact CD2-CE2 4.49Å; F276-Y295 AromaticContact CD2-CG 3.59Å; F276-Y295 HydrophobicContact CD2-CG 3.59Å; F276-Y295 HydrophobicContact CE1-CE1 4.34Å; F276-Y295 AromaticContact CE2-CD1 3.64Å; F276-Y295 HydrophobicContact CE2-CD1 3.64Å; F276-Y295 AromaticContact CE2-CD2 3.69Å; F276-Y295 HydrophobicContact CE2-CD2 3.69Å; F276-Y295 AromaticContact CE2-CE1 3.67Å; F276-Y295 HydrophobicContact CE2-CE1 3.67Å; F276-Y295 AromaticContact CE2-CE2 3.73Å; F276-Y295 HydrophobicContact CE2-CE2 3.73Å; F276-Y295 AromaticContact CE2-CG 3.64Å; F276-Y295 HydrophobicContact CE2-CG 3.64Å; F276-Y295 AromaticContact CE2-CZ 3.71Å; F276-Y295 HydrophobicContact CG-CD1 4.02Å; F276-Y295 HydrophobicContact CG-CE1 4.27Å; F276-Y295 HydrophobicContact CZ-CD1 4.35Å; F276-Y295 AromaticContact CZ-CE1 3.93Å; F276-Y295 HydrophobicContact CZ-CE1 3.93Å; F276-Y295 HydrophobicContact CZ-CE2 4.17Å; F276-Y295 AromaticContact CZ-CZ 3.82Å; K279-Y295 HydrophobicContact CG-CE1 4.5Å; V293-Y295 PolarHBondContact O-N 3.25Å; Y295-N297 VanDerWaalsContact C-N 3.27Å; Y295-N297 PolarHBondContact O-N 2.68Å; Y295-A298 WeakPolarHBondContact O-CA 3.32Å; Y295-A298 WeakPolarHBondContact O-CB 3.49Å; Y295-A298 PolarHBondContact O-N 3.15Å; Y295-A299 PolarHBondContact O-N 3.28Å; Y295-A327 HydrophobicContact CD2-CB 4.28Å; Y295-A327 HydrophobicContact CE2-CB 4.25Å
296L81Confident68.2Low43 Ų4354.7 Ų54.723%0.22529%0.294CS..Hα-helixtrans-50.3-46.5177.5-177.262.5000112.6I282 V293 L294 A298 A299 Q300I282-L296 HydrophobicContact CD1-CD2 4.05Å; V293-L296 HydrophobicContact CB-CB 4.07Å; V293-L296 HydrophobicContact CB-CD1 4.12Å; V293-L296 HydrophobicContact CG1-CB 4.03Å; V293-L296 HydrophobicContact CG1-CD1 3.96Å; V293-L296 WeakPolarHBondContact O-CB 3.24Å; V293-L296 PolarHBondContact O-N 2.7Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.37Å; L296-A298 VanDerWaalsContact C-N 3.28Å; L296-A298 PolarHBondContact O-N 3.44Å; L296-A299 WeakPolarHBondContact O-CB 3.42Å; L296-A299 PolarHBondContact O-N 3.36Å; L296-Q300 HydrophobicContact CD1-CG 4.4Å; L296-Q300 HydrophobicContact CG-CG 4.42Å; L296-Q300 WeakPolarHBondContact O-CB 3.35Å; L296-Q300 WeakPolarHBondContact O-CG 3.46Å; L296-Q300 PolarHBondContact O-N 3.1Å
297N86.1Confident70.1Confident39 Ų3950.4 Ų50.421%0.20928%0.284CS..Hα-helixtrans-62.7-36.5179.1-66.8-2.9000112.2E275 Y295 Q300 A301E275-N297 HydrophobicContact CB-CB 3.94Å; E275-N297 HydrophobicContact CG-CB 3.83Å; E275-N297 WeakPolarHBondContact OE2-CB 3.39Å; E275-N297 PolarHBondContact OE2-ND2 2.81Å; Y295-N297 VanDerWaalsContact C-N 3.27Å; Y295-N297 PolarHBondContact O-N 2.68Å; N297-Q300 PolarHBondContact O-N 3.46Å; N297-A301 WeakPolarHBondContact O-CB 3.17Å; N297-A301 PolarHBondContact O-N 2.78Å
298A88.8Confident72.2Confident1 Ų151.6 Ų51.61%0.00828%0.283CS..Hα-helixtrans-69.1-41.1175.200000111A272 E275 F276 Y295 L296 Q300 A301 I302 V324A272-A298 HydrophobicContact CB-CB 4.48Å; A272-A298 WeakPolarHBondContact O-CB 3.41Å; E275-A298 HydrophobicContact CB-CB 3.99Å; F276-A298 HydrophobicContact CB-CB 4.2Å; Y295-A298 WeakPolarHBondContact O-CA 3.32Å; Y295-A298 WeakPolarHBondContact O-CB 3.49Å; Y295-A298 PolarHBondContact O-N 3.15Å; L296-A298 VanDerWaalsContact C-N 3.28Å; L296-A298 PolarHBondContact O-N 3.44Å; A298-Q300 VanDerWaalsContact C-N 3.35Å; A298-Q300 PolarHBondContact O-N 2.94Å; A298-A301 PolarHBondContact O-N 3.4Å; A298-I302 WeakPolarHBondContact O-CG1 3.36Å; A298-I302 PolarHBondContact O-N 3.42Å; A298-I302 VanDerWaalsContact O-N 3.07Å; A298-V324 HydrophobicContact CB-CG2 3.77Å
299A87.4Confident73.7Confident32 Ų3250.3 Ų50.326%0.26428%0.277SS..Hα-helixtrans-58.2-46.1172.200000111.6Y295 L296 I302 A303 V324Y295-A299 PolarHBondContact O-N 3.28Å; L296-A299 WeakPolarHBondContact O-CB 3.42Å; L296-A299 PolarHBondContact O-N 3.36Å; A299-I302 PolarHBondContact O-N 2.87Å; A299-A303 WeakPolarHBondContact O-CB 3.49Å; A299-A303 PolarHBondContact O-N 3.41Å; A299-V324 HydrophobicContact CB-CG1 3.48Å; A299-V324 VanDerWaalsContact CB-CG1 3.48Å
300Q87.5Confident75.3Confident94 Ų9452.4 Ų52.444%0.43930%0.297SS..Hα-helixtrans-64.1-40.4176.9-73.4177.2-7.800111.8L296 N297 A298 I302 A303 N304L296-Q300 HydrophobicContact CD1-CG 4.4Å; L296-Q300 HydrophobicContact CG-CG 4.42Å; L296-Q300 WeakPolarHBondContact O-CB 3.35Å; L296-Q300 WeakPolarHBondContact O-CG 3.46Å; L296-Q300 PolarHBondContact O-N 3.1Å; N297-Q300 PolarHBondContact O-N 3.46Å; A298-Q300 VanDerWaalsContact C-N 3.35Å; A298-Q300 PolarHBondContact O-N 2.94Å; Q300-I302 VanDerWaalsContact C-N 3.27Å; Q300-I302 PolarHBondContact O-N 3.3Å; Q300-A303 PolarHBondContact O-N 2.93Å; Q300-N304 WeakPolarHBondContact O-CB 3.49Å; Q300-N304 PolarHBondContact O-N 3.47Å; Q300-N304 PolarHBondContact O-ND2 3.33Å
301A90.2Very high76.9Confident1 Ų156.8 Ų56.81%0.00833%0.326CS..Hα-helixtrans-59.7-3917500000112F268 K271 A272 N297 A298F268-A301 VanDerWaalsContact CD1-O 3.23Å; F268-A301 WeakPolarHBondContact CD1-O 3.43Å; K271-A301 HydrophobicContact CB-CB 4.17Å; K271-A301 HydrophobicContact CD-CB 4.1Å; K271-A301 HydrophobicContact CG-CB 3.87Å; A272-A301 HydrophobicContact CB-CB 4.04Å; N297-A301 WeakPolarHBondContact O-CB 3.17Å; N297-A301 PolarHBondContact O-N 2.78Å; A298-A301 PolarHBondContact O-N 3.4Å
302I89.1Confident78.3Confident22 Ų2257.1 Ų57.111%0.11332%0.322CS..Hα-helixtrans-70-44.1174.4-62.2168.4000111A272 A298 A299 Q300 N304 M305 T317 N320 E321 V324A272-I302 HydrophobicContact CB-CD1 4.28Å; A272-I302 HydrophobicContact CB-CG1 3.81Å; A298-I302 WeakPolarHBondContact O-CG1 3.36Å; A298-I302 PolarHBondContact O-N 3.42Å; A298-I302 VanDerWaalsContact O-N 3.07Å; A299-I302 PolarHBondContact O-N 2.87Å; Q300-I302 VanDerWaalsContact C-N 3.27Å; Q300-I302 PolarHBondContact O-N 3.3Å; I302-N304 PolarHBondContact O-N 3.17Å; I302-M305 HydrophobicContact CB-CE 4.45Å; I302-M305 HydrophobicContact CG1-CE 4.15Å; I302-M305 HydrophobicContact CG2-SD 4.4Å; I302-M305 VanDerWaalsContact O-CB 3.24Å; I302-M305 WeakPolarHBondContact O-CB 3.37Å; I302-M305 VanDerWaalsContact O-CG 3.3Å; I302-M305 WeakPolarHBondContact O-CG 3.31Å; I302-M305 PolarHBondContact O-N 2.9Å; I302-M305 VanDerWaalsContact O-N 3.08Å; I302-T317 HydrophobicContact CG2-CG2 4.43Å; I302-N320 HydrophobicContact CD1-CB 4.06Å; I302-E321 HydrophobicContact CD1-CB 4.43Å; I302-V324 HydrophobicContact CD1-CB 4.43Å; I302-V324 HydrophobicContact CD1-CG2 3.91Å
303A87.2Confident79.9Confident80 Ų8057.6 Ų57.666%0.66132%0.322SS*.Hα-helixtrans-64-28.2179.500000113.3A299 Q300 M305A299-A303 WeakPolarHBondContact O-CB 3.49Å; A299-A303 PolarHBondContact O-N 3.41Å; Q300-A303 PolarHBondContact O-N 2.93Å; A303-M305 VanDerWaalsContact C-N 3.27Å; A303-M305 PolarHBondContact O-N 3.35Å
304N85.8Confident81.2Confident97 Ų9758 Ų5852%0.51932%0.323SS..THydrogen-bonded Turntrans-79.7-6176.8-69.8-28000113.5F268 Q300 I302F268-N304 HydrophobicContact CD1-CB 4.39Å; F268-N304 HydrophobicContact CE1-CB 3.7Å; F268-N304 HydrophobicContact CZ-CB 3.99Å; Q300-N304 WeakPolarHBondContact O-CB 3.49Å; Q300-N304 PolarHBondContact O-N 3.47Å; Q300-N304 PolarHBondContact O-ND2 3.33Å; I302-N304 PolarHBondContact O-N 3.17Å
305M85.6Confident82.3Confident15 Ų1556.9 Ų56.97%0.07432%0.322CS..SBendtrans-64.9150.7173-66.5178.1-174.400110.7F268 N269 I302 A303 R308 T317F268-M305 HydrophobicContact CB-CE 3.5Å; F268-M305 HydrophobicContact CB-CG 3.46Å; F268-M305 VanDerWaalsContact CB-CG 3.46Å; F268-M305 HydrophobicContact CB-SD 4.25Å; F268-M305 HydrophobicContact CD2-CG 4.04Å; F268-M305 HydrophobicContact CG-CG 3.85Å; N269-M305 HydrophobicContact CB-CE 4.33Å; N269-M305 WeakPolarHBondContact OD1-CE 3.26Å; I302-M305 HydrophobicContact CB-CE 4.45Å; I302-M305 HydrophobicContact CG1-CE 4.15Å; I302-M305 HydrophobicContact CG2-SD 4.4Å; I302-M305 VanDerWaalsContact O-CB 3.24Å; I302-M305 WeakPolarHBondContact O-CB 3.37Å; I302-M305 VanDerWaalsContact O-CG 3.3Å; I302-M305 WeakPolarHBondContact O-CG 3.31Å; I302-M305 PolarHBondContact O-N 2.9Å; I302-M305 VanDerWaalsContact O-N 3.08Å; A303-M305 VanDerWaalsContact C-N 3.27Å; A303-M305 PolarHBondContact O-N 3.35Å; M305-R308 PolarHBondContact SD-NH2 2.96Å; M305-T317 HydrophobicContact CE-CG2 4.37Å; M305-T317 HydrophobicContact SD-CG2 3.72Å
306P80.6Confident82.9Confident8 Ų859.1 Ų59.15%0.05234%0.336CS..PPolyproline II helixtrans-53.6137.7172.8-24.933.2000112Y252 L259 L264 R308Y252-P306 HydrophobicContact CE1-CB 4.32Å; Y252-P306 HydrophobicContact CE1-CG 4.44Å; Y252-P306 HydrophobicContact CE2-CB 4.14Å; L259-P306 HydrophobicContact CD2-CB 3.78Å; L259-P306 HydrophobicContact CD2-CG 3.79Å; L264-P306 HydrophobicContact CD2-CG 3.72Å; P306-R308 PolarHBondContact O-N 3.42Å
307P76.6Confident83.4Confident88 Ų8857.2 Ų57.257%0.57133%0.326SS*.PPolyproline II helixtrans-65.4130.8-175.727.2-31.7000110.4Y252Y252-P307 HydrophobicContact CD2-CG 4.24Å; Y252-P307 HydrophobicContact CE2-CG 3.98Å
308R78.4Confident83.7Confident64 Ų6456.4 Ų56.424%0.24232%0.321CS..  trans-135.5147.7-178.2-69.7172.4-74.8164.30.2109.4M305 P306 L313 D314 T317M305-R308 PolarHBondContact SD-NH2 2.96Å; P306-R308 PolarHBondContact O-N 3.42Å; R308-L313 HydrophobicContact CB-CD2 4.49Å; R308-D314 IonicContact CZ-OD1 2.65Å; R308-D314 IonicContact NH1-OD1 3.96Å; R308-D314 PolarHBondContact NH1-OD1 3.08Å; R308-D314 IonicContact NH2-OD1 3.89Å; R308-T317 PolarHBondContact NH2-OG1 2.78Å
309E72Confident83.9Confident104 Ų10456.9 Ų56.949%0.48632%0.323SS..  trans-62.1143.1168.6-68.3165.2-17100109.6T311 R312 L313E309-T311 PolarHBondContact O-N 3.35Å; E309-T311 VanDerWaalsContact O-N 3.1Å; E309-R312 HydrophobicContact CB-CG 4.23Å; E309-R312 PolarHBondContact O-N 3.23Å; E309-R312 IonicContact OE1-NH2 2.79Å; E309-R312 IonicContact OE2-CZ 2.93Å; E309-R312 IonicContact OE2-NE 2.65Å; E309-R312 PolarHBondContact OE2-NE 3.5Å; E309-R312 IonicContact OE2-NH2 3.62Å; E309-R312 PolarHBondContact OE2-NH2 3.43Å; E309-L313 PolarHBondContact O-N 3.27Å
310A72.4Confident84.2Confident83 Ų8356.3 Ų56.369%0.68632%0.316SS*.G310 helixtrans-56.3-31.1-178.700000113.5R312 L313A310-R312 PolarHBondContact O-N 2.99Å; A310-L313 PolarHBondContact O-N 3.03Å
311T73.6Confident84.4Confident126 Ų12653.8 Ų53.877%0.77330%0.304SS*.G310 helixtrans-72.1-14.6176.953.60000114.1E309E309-T311 PolarHBondContact O-N 3.35Å; E309-T311 VanDerWaalsContact O-N 3.1Å
312R74.5Confident84.5Confident129 Ų12953.7 Ų53.749%0.48730%0.304SS..G310 helixtrans-106.91.1-179.8-58-173.6-165.2-150.81113E309 A310 D314E309-R312 HydrophobicContact CB-CG 4.23Å; E309-R312 PolarHBondContact O-N 3.23Å; E309-R312 IonicContact OE1-NH2 2.79Å; E309-R312 IonicContact OE2-CZ 2.93Å; E309-R312 IonicContact OE2-NE 2.65Å; E309-R312 PolarHBondContact OE2-NE 3.5Å; E309-R312 IonicContact OE2-NH2 3.62Å; E309-R312 PolarHBondContact OE2-NH2 3.43Å; A310-R312 PolarHBondContact O-N 2.99Å; R312-D314 PolarHBondContact O-N 3.41Å
313L80.4Confident84.5Confident43 Ų4353.7 Ų53.723%0.22530%0.304CS..  trans-62.6131.7172.7-73.4169000108.9R308 E309 A310 T317R308-L313 HydrophobicContact CB-CD2 4.49Å; E309-L313 PolarHBondContact O-N 3.27Å; A310-L313 PolarHBondContact O-N 3.03Å; L313-T317 HydrophobicContact CD2-CG2 3.82Å
314D85.3Confident84.6Confident49 Ų4950.6 Ų50.626%0.26228%0.276SS..  trans-71.5160172.465.5-84.8000110.3I265 R308 R312 I316 T317 L318I265-D314 WeakPolarHBondContact CG2-OD1 3.49Å; R308-D314 IonicContact CZ-OD1 2.65Å; R308-D314 IonicContact NH1-OD1 3.96Å; R308-D314 PolarHBondContact NH1-OD1 3.08Å; R308-D314 IonicContact NH2-OD1 3.89Å; R312-D314 PolarHBondContact O-N 3.41Å; D314-I316 PolarHBondContact O-N 3.39Å; D314-I316 WeakPolarHBondContact OD2-CA 3.41Å; D314-I316 WeakPolarHBondContact OD2-CB 3.07Å; D314-I316 PolarHBondContact OD2-N 2.82Å; D314-T317 PolarHBondContact O-N 3.33Å; D314-T317 WeakPolarHBondContact OD1-CB 3.47Å; D314-T317 PolarHBondContact OD1-OG1 3.46Å; D314-T317 PolarHBondContact OD2-N 3.28Å; D314-L318 PolarHBondContact O-N 3.03Å
315A87.8Confident84.6Confident36 Ų3648 Ų4830%0.29826%0.261SS..Hα-helixtrans-64.9-26.6-173.800000113.1H319 L340 P347A315-H319 VanDerWaalsContact O-CB 3.25Å; A315-H319 WeakPolarHBondContact O-CB 3.49Å; A315-H319 PolarHBondContact O-N 3.19Å; A315-H319 VanDerWaalsContact O-N 3.08Å; A315-L340 HydrophobicContact CB-CD2 3.82Å; A315-P347 HydrophobicContact CB-CG 4.39Å
316I91.1Very high84.5Confident88 Ų8848.4 Ų48.445%0.45126%0.262SS..Hα-helixtrans-77.3-46.3-180-59.4173.3000109.8N269 D314 L318 H319 N320 P347N269-I316 HydrophobicContact CB-CG2 4.06Å; D314-I316 PolarHBondContact O-N 3.39Å; D314-I316 WeakPolarHBondContact OD2-CA 3.41Å; D314-I316 WeakPolarHBondContact OD2-CB 3.07Å; D314-I316 PolarHBondContact OD2-N 2.82Å; I316-L318 VanDerWaalsContact C-N 3.33Å; I316-L318 PolarHBondContact O-N 3.37Å; I316-H319 WeakPolarHBondContact O-CB 3.42Å; I316-H319 PolarHBondContact O-N 2.96Å; I316-N320 VanDerWaalsContact O-CG 3.31Å; I316-N320 PolarHBondContact O-N 3.08Å; I316-P347 HydrophobicContact CG1-CG 4.13Å
317T91.7Very high84.2Confident2 Ų250.2 Ų50.21%0.01228%0.278CS..Hα-helixtrans-60.5-44.9174.7-660000110.9N269 I302 M305 R308 L313 D314 H319 N320 E321N269-T317 VanDerWaalsContact CG-OG1 3.32Å; N269-T317 PolarHBondContact ND2-OG1 2.84Å; N269-T317 VanDerWaalsContact OD1-CA 3.25Å; N269-T317 WeakPolarHBondContact OD1-CA 3.27Å; N269-T317 PolarHBondContact OD1-OG1 3.06Å; I302-T317 HydrophobicContact CG2-CG2 4.43Å; M305-T317 HydrophobicContact CE-CG2 4.37Å; M305-T317 HydrophobicContact SD-CG2 3.72Å; R308-T317 PolarHBondContact NH2-OG1 2.78Å; L313-T317 HydrophobicContact CD2-CG2 3.82Å; D314-T317 PolarHBondContact O-N 3.33Å; D314-T317 WeakPolarHBondContact OD1-CB 3.47Å; D314-T317 PolarHBondContact OD1-OG1 3.46Å; D314-T317 PolarHBondContact OD2-N 3.28Å; T317-H319 VanDerWaalsContact C-N 3.27Å; T317-H319 PolarHBondContact O-N 2.76Å; T317-N320 PolarHBondContact O-N 2.87Å; T317-E321 WeakPolarHBondContact O-CB 3.35Å; T317-E321 PolarHBondContact O-N 3.43Å
318L92.1Very high84.2Confident22 Ų2249.4 Ų49.412%0.11527%0.269CS..Hα-helixtrans-62.3-37.5178.6-172.963.8000112D314 I316 A322 K336 F339 L340D314-L318 PolarHBondContact O-N 3.03Å; I316-L318 VanDerWaalsContact C-N 3.33Å; I316-L318 PolarHBondContact O-N 3.37Å; L318-A322 WeakPolarHBondContact O-CB 3.12Å; L318-A322 PolarHBondContact O-N 3.24Å; L318-K336 HydrophobicContact CD1-CB 4.36Å; L318-K336 HydrophobicContact CD1-CD 3.87Å; L318-K336 HydrophobicContact CD1-CG 3.97Å; L318-F339 HydrophobicContact CD2-CD1 3.74Å; L318-F339 HydrophobicContact CD2-CE1 3.98Å; L318-L340 HydrophobicContact CB-CD1 4.35Å; L318-L340 HydrophobicContact CB-CD2 4.3Å; L318-L340 HydrophobicContact CD2-CD1 4.41Å; L318-L340 HydrophobicContact CD2-CD2 3.94Å; L318-L340 HydrophobicContact CD2-CG 3.92Å; L318-L340 HydrophobicContact CG-CD1 4.17Å; L318-L340 HydrophobicContact CG-CD2 4.38Å; L318-L340 HydrophobicContact CG-CG 4.23Å
319H93.3Very high84.4Confident11 Ų1151 Ų515%0.05128%0.28CS..Hα-helixtrans-63.7-49.6175.1167.6-91.9000111.6A315 I316 T317 E321 A322 L323 L340 P347 N353A315-H319 VanDerWaalsContact O-CB 3.25Å; A315-H319 WeakPolarHBondContact O-CB 3.49Å; A315-H319 PolarHBondContact O-N 3.19Å; A315-H319 VanDerWaalsContact O-N 3.08Å; I316-H319 WeakPolarHBondContact O-CB 3.42Å; I316-H319 PolarHBondContact O-N 2.96Å; T317-H319 VanDerWaalsContact C-N 3.27Å; T317-H319 PolarHBondContact O-N 2.76Å; H319-E321 VanDerWaalsContact C-N 3.33Å; H319-E321 PolarHBondContact O-N 3.24Å; H319-A322 WeakPolarHBondContact O-CB 3.38Å; H319-A322 PolarHBondContact O-N 2.93Å; H319-A322 VanDerWaalsContact O-N 3.15Å; H319-L323 WeakPolarHBondContact CE1-CD1 3.42Å; H319-L323 PolarHBondContact O-N 3.18Å; H319-L340 HydrophobicContact CB-CD1 3.75Å; H319-P347 HydrophobicContact CB-CG 4.07Å; H319-N353 PolarHBondContact NE2-ND2 3.24Å
320N93.3Very high84.9Confident20 Ų2048 Ų4811%0.10727%0.269CS..Hα-helixtrans-64.8-39.6-178.9-68.5-11.4000111.5N269 I302 I316 T317 A322 L323 V324N269-N320 PolarHBondContact O-ND2 2.96Å; N269-N320 PolarHBondContact OD1-ND2 3.26Å; I302-N320 HydrophobicContact CD1-CB 4.06Å; I316-N320 VanDerWaalsContact O-CG 3.31Å; I316-N320 PolarHBondContact O-N 3.08Å; T317-N320 PolarHBondContact O-N 2.87Å; N320-A322 VanDerWaalsContact C-N 3.3Å; N320-A322 PolarHBondContact O-N 3.43Å; N320-L323 PolarHBondContact O-N 2.95Å; N320-V324 WeakPolarHBondContact O-CG2 3.32Å; N320-V324 PolarHBondContact O-N 3.47Å
321E91.5Very high85.4Confident41 Ų4151.6 Ų51.619%0.19227%0.273CS..Hα-helixtrans-61.8-40.5174-166.6-169.9156.300111.3I302 T317 H319 L323 V324 K325 K336I302-E321 HydrophobicContact CD1-CB 4.43Å; T317-E321 WeakPolarHBondContact O-CB 3.35Å; T317-E321 PolarHBondContact O-N 3.43Å; H319-E321 VanDerWaalsContact C-N 3.33Å; H319-E321 PolarHBondContact O-N 3.24Å; E321-L323 PolarHBondContact O-N 3.19Å; E321-V324 PolarHBondContact O-N 3.23Å; E321-K325 WeakPolarHBondContact O-CB 3.49Å; E321-K325 WeakPolarHBondContact O-CG 3.37Å; E321-K325 PolarHBondContact O-N 3.46Å; E321-K325 WeakPolarHBondContact OE1-CE 3.45Å; E321-K336 VanDerWaalsContact CD-NZ 3.31Å; E321-K336 IonicContact OE1-NZ 3.1Å; E321-K336 PolarHBondContact OE1-NZ 2.94Å; E321-K336 IonicContact OE2-NZ 2.7Å
322A91.6Very high86.1Confident0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-60.1-46.117600000111.8L318 H319 N320 K325 M326 G333 K336 L337L318-A322 WeakPolarHBondContact O-CB 3.12Å; L318-A322 PolarHBondContact O-N 3.24Å; H319-A322 WeakPolarHBondContact O-CB 3.38Å; H319-A322 PolarHBondContact O-N 2.93Å; H319-A322 VanDerWaalsContact O-N 3.15Å; N320-A322 VanDerWaalsContact C-N 3.3Å; N320-A322 PolarHBondContact O-N 3.43Å; A322-K325 PolarHBondContact O-N 2.96Å; A322-M326 WeakPolarHBondContact O-CG 3.43Å; A322-M326 PolarHBondContact O-N 3.3Å; A322-G333 WeakPolarHBondContact O-CA 3.37Å; A322-K336 HydrophobicContact CB-CB 3.62Å; A322-K336 HydrophobicContact CB-CD 4.37Å; A322-L337 HydrophobicContact CB-CD2 4.03Å; A322-L337 HydrophobicContact CB-CG 3.84Å
323L90.4Very high86.7Confident22 Ų2242.5 Ų42.512%0.11523%0.228CC..Hα-helixtrans-63.5-45.8179.2-68.3-176.6000113F276 H319 N320 E321 K325 M326 N353F276-L323 HydrophobicContact CE2-CB 3.93Å; F276-L323 HydrophobicContact CZ-CB 4.1Å; H319-L323 WeakPolarHBondContact CE1-CD1 3.42Å; H319-L323 PolarHBondContact O-N 3.18Å; N320-L323 PolarHBondContact O-N 2.95Å; E321-L323 PolarHBondContact O-N 3.19Å; L323-K325 VanDerWaalsContact C-N 3.26Å; L323-K325 PolarHBondContact O-N 3.37Å; L323-M326 WeakPolarHBondContact O-CB 3.49Å; L323-M326 PolarHBondContact O-N 3.07Å; L323-M326 VanDerWaalsContact O-N 3.13Å; L323-N353 HydrophobicContact CD2-CB 3.94Å
324V88.3Confident86.9Confident14 Ų1441.9 Ų41.99%0.08522%0.223CC..Hα-helixtrans-63.2-37.1178.8171.50000110.9F276 A298 A299 I302 N320 E321 M326F276-V324 HydrophobicContact CD2-CG2 4.2Å; A298-V324 HydrophobicContact CB-CG2 3.77Å; A299-V324 HydrophobicContact CB-CG1 3.48Å; A299-V324 VanDerWaalsContact CB-CG1 3.48Å; I302-V324 HydrophobicContact CD1-CB 4.43Å; I302-V324 HydrophobicContact CD1-CG2 3.91Å; N320-V324 WeakPolarHBondContact O-CG2 3.32Å; N320-V324 PolarHBondContact O-N 3.47Å; E321-V324 PolarHBondContact O-N 3.23Å; V324-M326 VanDerWaalsContact C-N 3.28Å; V324-M326 PolarHBondContact O-N 3.36Å
325K86.6Confident87Confident44 Ų4442 Ų4219%0.19123%0.231CC..Hα-helixtrans-72.3-16.5176.7-73.5-167.5175.4-141.40114.1E321 A322 L323 A327 N328 E329 E332E321-K325 WeakPolarHBondContact O-CB 3.49Å; E321-K325 WeakPolarHBondContact O-CG 3.37Å; E321-K325 PolarHBondContact O-N 3.46Å; E321-K325 WeakPolarHBondContact OE1-CE 3.45Å; A322-K325 PolarHBondContact O-N 2.96Å; L323-K325 VanDerWaalsContact C-N 3.26Å; L323-K325 PolarHBondContact O-N 3.37Å; K325-A327 PolarHBondContact O-N 3.46Å; K325-A327 VanDerWaalsContact O-N 3.1Å; K325-N328 PolarHBondContact O-N 3.32Å; K325-E329 IonicContact NZ-OE1 2.78Å; K325-E329 CarbonylContact O-C 3.6Å; K325-E329 WeakPolarHBondContact O-CA 3.43Å; K325-E329 PolarHBondContact O-N 3.02Å; K325-E332 HydrophobicContact CD-CG 4.39Å; K325-E332 WeakPolarHBondContact CD-OE2 3.35Å; K325-E332 IonicContact NZ-OE1 2.74Å; K325-E332 PolarHBondContact NZ-OE1 3.42Å; K325-E332 IonicContact NZ-OE2 3.12Å; K325-E332 PolarHBondContact NZ-OE2 2.89Å
326M83.3Confident87Confident22 Ų2241.7 Ų41.711%0.10822%0.223CC..THydrogen-bonded Turntrans-59.1-26.2-179-71.9-52.6-51.400114.1A322 L323 V324 P330 V357 Y361A322-M326 WeakPolarHBondContact O-CG 3.43Å; A322-M326 PolarHBondContact O-N 3.3Å; L323-M326 WeakPolarHBondContact O-CB 3.49Å; L323-M326 PolarHBondContact O-N 3.07Å; L323-M326 VanDerWaalsContact O-N 3.13Å; V324-M326 VanDerWaalsContact C-N 3.28Å; V324-M326 PolarHBondContact O-N 3.36Å; M326-P330 HydrophobicContact CE-CB 3.99Å; M326-V357 HydrophobicContact CE-CB 4.21Å; M326-V357 HydrophobicContact CE-CG1 3.37Å; M326-V357 HydrophobicContact CE-CG2 3.68Å; M326-V357 HydrophobicContact CG-CG2 4.32Å; M326-V357 HydrophobicContact SD-CG1 4.25Å; M326-V357 HydrophobicContact SD-CG2 4.05Å; M326-Y361 HydrophobicContact CE-CD2 4.44Å; M326-Y361 HydrophobicContact CE-CE2 3.6Å
327A74.7Confident86.9Confident47 Ų4737.5 Ų37.539%0.38820%0.202SC..THydrogen-bonded Turntrans-75.6-40.8-179.800000113.1L294 Y295 K325L294-A327 HydrophobicContact CB-CB 4Å; Y295-A327 HydrophobicContact CD2-CB 4.28Å; Y295-A327 HydrophobicContact CE2-CB 4.25Å; K325-A327 PolarHBondContact O-N 3.46Å; K325-A327 VanDerWaalsContact O-N 3.1Å
328N75.5Confident86.5Confident70 Ų7040.7 Ų40.737%0.37422%0.216SC..THydrogen-bonded Turntrans-106.3-34.9-172.6-61.1-27.9000112.9K325K325-N328 PolarHBondContact O-N 3.32Å
329E83.2Confident86.1Confident99 Ų9945.5 Ų45.546%0.46324%0.236SC..  trans-133.364.6-172.6-63.3-179.5-101.400110.1K325 M331 E332 G333K325-E329 IonicContact NZ-OE1 2.78Å; K325-E329 CarbonylContact O-C 3.6Å; K325-E329 WeakPolarHBondContact O-CA 3.43Å; K325-E329 PolarHBondContact O-N 3.02Å; E329-M331 VanDerWaalsContact C-N 3.26Å; E329-M331 PolarHBondContact O-N 3.49Å; E329-E332 HydrophobicContact CB-CB 4.26Å; E329-E332 PolarHBondContact O-N 3.38Å; E329-G333 PolarHBondContact O-N 3.26Å; E329-G333 VanDerWaalsContact O-N 3.09Å
330P82Confident85.8Confident40 Ų4045 Ų4526%0.2624%0.235SC..Hα-helixtrans-62.2-31.3-169.724-34.7000113.8M326 F334 Y361M326-P330 HydrophobicContact CE-CB 3.99Å; P330-F334 VanDerWaalsContact O-CB 3.25Å; P330-F334 WeakPolarHBondContact O-CB 3.42Å; P330-F334 PolarHBondContact O-N 2.68Å; P330-Y361 HydrophobicContact CB-CE1 4.23Å; P330-Y361 HydrophobicContact CB-CE2 4.07Å; P330-Y361 VanDerWaalsContact CB-OH 3.26Å; P330-Y361 WeakPolarHBondContact CB-OH 3.41Å
331M84.1Confident85.2Confident159 Ų15944.2 Ų44.278%0.78323%0.23SC*.Hα-helixtrans-66-38.4176.8-65.8-63.3-74.200112E329 A335E329-M331 VanDerWaalsContact C-N 3.26Å; E329-M331 PolarHBondContact O-N 3.49Å; M331-A335 WeakPolarHBondContact O-CB 3.49Å; M331-A335 PolarHBondContact O-N 3.04Å; M331-A335 VanDerWaalsContact O-N 3.09Å
332E86.9Confident84.3Confident64 Ų6444 Ų4430%0.29924%0.239SC..Hα-helixtrans-74-42.1178.5-162.7-168.215500111K325 E329 F334 A335 K336K325-E332 HydrophobicContact CD-CG 4.39Å; K325-E332 WeakPolarHBondContact CD-OE2 3.35Å; K325-E332 IonicContact NZ-OE1 2.74Å; K325-E332 PolarHBondContact NZ-OE1 3.42Å; K325-E332 IonicContact NZ-OE2 3.12Å; K325-E332 PolarHBondContact NZ-OE2 2.89Å; E329-E332 HydrophobicContact CB-CB 4.26Å; E329-E332 PolarHBondContact O-N 3.38Å; E332-F334 VanDerWaalsContact C-N 3.34Å; E332-F334 PolarHBondContact O-N 3.2Å; E332-A335 PolarHBondContact O-N 2.94Å; E332-K336 WeakPolarHBondContact O-CG 3.47Å; E332-K336 PolarHBondContact O-N 2.82Å; E332-K336 VanDerWaalsContact O-N 3.1Å; E332-K336 WeakPolarHBondContact OE1-CE 3.31Å; E332-K336 IonicContact OE1-NZ 2.58Å; E332-K336 PolarHBondContact OE1-NZ 3.02Å
333G87.6Confident83.6Confident0 Ų047.5 Ų47.50%026%0.255CS..Hα-helixtrans-58.1-46.1173.400000111.9A322 E329 A335 K336 L337A322-G333 WeakPolarHBondContact O-CA 3.37Å; E329-G333 PolarHBondContact O-N 3.26Å; E329-G333 VanDerWaalsContact O-N 3.09Å; G333-A335 PolarHBondContact O-N 2.84Å; G333-K336 PolarHBondContact O-N 3.22Å; G333-L337 PolarHBondContact O-N 3.14Å; G333-L337 VanDerWaalsContact O-N 3.08Å
334F85.6Confident82.6Confident29 Ų2950.7 Ų50.713%0.12728%0.276CS..Hα-helixtrans-58.7-48.2175.7-177.3-94.7000112.4P330 E332 K336 L337 Q338 L354 V357P330-F334 VanDerWaalsContact O-CB 3.25Å; P330-F334 WeakPolarHBondContact O-CB 3.42Å; P330-F334 PolarHBondContact O-N 2.68Å; E332-F334 VanDerWaalsContact C-N 3.34Å; E332-F334 PolarHBondContact O-N 3.2Å; F334-K336 VanDerWaalsContact C-N 3.28Å; F334-K336 PolarHBondContact O-N 3.38Å; F334-L337 PolarHBondContact O-N 3.32Å; F334-Q338 WeakPolarHBondContact O-CB 3.48Å; F334-Q338 PolarHBondContact O-N 2.96Å; F334-L354 HydrophobicContact CD2-CD1 3.9Å; F334-L354 HydrophobicContact CE2-CD1 3.61Å; F334-L354 HydrophobicContact CZ-CD1 4.22Å; F334-V357 HydrophobicContact CD2-CG1 3.76Å
335A85.7Confident81.8Confident53 Ų5355.2 Ų55.244%0.43829%0.292SS..Hα-helixtrans-59.9-37.9-179.800000112.4M331 E332 G333 F339M331-A335 WeakPolarHBondContact O-CB 3.49Å; M331-A335 PolarHBondContact O-N 3.04Å; M331-A335 VanDerWaalsContact O-N 3.09Å; E332-A335 PolarHBondContact O-N 2.94Å; G333-A335 PolarHBondContact O-N 2.84Å; A335-F339 WeakPolarHBondContact O-CB 3.47Å; A335-F339 PolarHBondContact O-N 3.38Å
336K89.4Confident81.4Confident29 Ų2954.2 Ų54.213%0.12629%0.287CS..Hα-helixtrans-68.4-44.6176.8-73.3175.6179.21620112.5L318 E321 A322 E332 G333 F334 Q338 F339 L340L318-K336 HydrophobicContact CD1-CB 4.36Å; L318-K336 HydrophobicContact CD1-CD 3.87Å; L318-K336 HydrophobicContact CD1-CG 3.97Å; E321-K336 VanDerWaalsContact CD-NZ 3.31Å; E321-K336 IonicContact OE1-NZ 3.1Å; E321-K336 PolarHBondContact OE1-NZ 2.94Å; E321-K336 IonicContact OE2-NZ 2.7Å; A322-K336 HydrophobicContact CB-CB 3.62Å; A322-K336 HydrophobicContact CB-CD 4.37Å; E332-K336 WeakPolarHBondContact O-CG 3.47Å; E332-K336 PolarHBondContact O-N 2.82Å; E332-K336 VanDerWaalsContact O-N 3.1Å; E332-K336 WeakPolarHBondContact OE1-CE 3.31Å; E332-K336 IonicContact OE1-NZ 2.58Å; E332-K336 PolarHBondContact OE1-NZ 3.02Å; G333-K336 PolarHBondContact O-N 3.22Å; F334-K336 VanDerWaalsContact C-N 3.28Å; F334-K336 PolarHBondContact O-N 3.38Å; K336-Q338 VanDerWaalsContact C-N 3.34Å; K336-Q338 PolarHBondContact O-N 2.91Å; K336-F339 PolarHBondContact O-N 3.01Å; K336-L340 WeakPolarHBondContact O-CG 3.4Å; K336-L340 PolarHBondContact O-N 3.18Å
337L87.6Confident81.4Confident0 Ų053.8 Ų53.80%029%0.286CS..Hα-helixtrans-61.3-44.1175.2-72.6174.9000111.2A322 G333 F334 F339 L340 C341 N353 L354 V357A322-L337 HydrophobicContact CB-CD2 4.03Å; A322-L337 HydrophobicContact CB-CG 3.84Å; G333-L337 PolarHBondContact O-N 3.14Å; G333-L337 VanDerWaalsContact O-N 3.08Å; F334-L337 PolarHBondContact O-N 3.32Å; L337-F339 PolarHBondContact O-N 3.44Å; L337-L340 WeakPolarHBondContact O-CB 3.32Å; L337-L340 PolarHBondContact O-N 3.48Å; L337-C341 PolarHBondContact O-N 2.57Å; L337-C341 PolarHBondContact O-SG 2.93Å; L337-N353 HydrophobicContact CD1-CB 4.48Å; L337-L354 HydrophobicContact CB-CB 4.27Å; L337-L354 HydrophobicContact CB-CD1 3.92Å; L337-V357 HydrophobicContact CD1-CG2 4.15Å
338Q82.8Confident81.6Confident68 Ų6853.9 Ų53.932%0.31828%0.283SS..Hα-helixtrans-61-44.8176.3-172.5-177.2-0.600111.7F334 K336 L340 C341 G342 S371F334-Q338 WeakPolarHBondContact O-CB 3.48Å; F334-Q338 PolarHBondContact O-N 2.96Å; K336-Q338 VanDerWaalsContact C-N 3.34Å; K336-Q338 PolarHBondContact O-N 2.91Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; Q338-L340 PolarHBondContact O-N 3.27Å; Q338-C341 PolarHBondContact O-N 3.05Å; Q338-G342 PolarHBondContact O-N 3.07Å; Q338-G342 VanDerWaalsContact O-N 3.11Å; Q338-S371 VanDerWaalsContact NE2-CB 3.35Å; Q338-S371 PolarHBondContact NE2-O 3.11Å
339F84.9Confident82Confident123 Ų12355.1 Ų55.154%0.53929%0.286SS..Hα-helixtrans-59.6-43.1176.4173.8-96.2000112.1L318 A335 K336 L337 G342 Q343L318-F339 HydrophobicContact CD2-CD1 3.74Å; L318-F339 HydrophobicContact CD2-CE1 3.98Å; A335-F339 WeakPolarHBondContact O-CB 3.47Å; A335-F339 PolarHBondContact O-N 3.38Å; K336-F339 PolarHBondContact O-N 3.01Å; L337-F339 PolarHBondContact O-N 3.44Å; F339-G342 PolarHBondContact O-N 3.08Å; F339-Q343 HydrophobicContact CE1-CG 4.34Å; F339-Q343 VanDerWaalsContact CE2-NE2 3.26Å; F339-Q343 WeakPolarHBondContact O-CG 3.28Å; F339-Q343 PolarHBondContact O-N 3.01Å; F339-Q343 PolarHBondContact O-NE2 2.98Å
340L86.5Confident82.1Confident2 Ų250.4 Ų50.41%0.0126%0.264CS..Hα-helixtrans-60.6-50.3177.4-80164.5000111.9A315 L318 H319 K336 L337 Q338 G342 Q343 F346A315-L340 HydrophobicContact CB-CD2 3.82Å; L318-L340 HydrophobicContact CB-CD1 4.35Å; L318-L340 HydrophobicContact CB-CD2 4.3Å; L318-L340 HydrophobicContact CD2-CD1 4.41Å; L318-L340 HydrophobicContact CD2-CD2 3.94Å; L318-L340 HydrophobicContact CD2-CG 3.92Å; L318-L340 HydrophobicContact CG-CD1 4.17Å; L318-L340 HydrophobicContact CG-CD2 4.38Å; L318-L340 HydrophobicContact CG-CG 4.23Å; H319-L340 HydrophobicContact CB-CD1 3.75Å; K336-L340 WeakPolarHBondContact O-CG 3.4Å; K336-L340 PolarHBondContact O-N 3.18Å; L337-L340 WeakPolarHBondContact O-CB 3.32Å; L337-L340 PolarHBondContact O-N 3.48Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; Q338-L340 PolarHBondContact O-N 3.27Å; L340-G342 PolarHBondContact O-N 3.44Å; L340-G342 VanDerWaalsContact O-N 3.17Å; L340-Q343 VanDerWaalsContact O-CB 3.31Å; L340-Q343 WeakPolarHBondContact O-CB 3.32Å; L340-Q343 PolarHBondContact O-N 2.84Å; L340-F346 HydrophobicContact CB-CB 4.36Å; L340-F346 WeakPolarHBondContact O-CB 3.45Å
341C80.5Confident82.1Confident3 Ų348.6 Ų48.62%0.0225%0.253CS..Hα-helixtrans-63-22.5177.7-65.30000112.7L337 Q338 Q343 L354 C375 R398L337-C341 PolarHBondContact O-N 2.57Å; L337-C341 PolarHBondContact O-SG 2.93Å; Q338-C341 PolarHBondContact O-N 3.05Å; C341-Q343 VanDerWaalsContact C-N 3.32Å; C341-L354 HydrophobicContact CB-CD2 4.16Å; C341-C375 PolarHBondContact O-SG 3.28Å; C341-R398 PolarHBondContact O-NH2 3.46Å
342G74Confident81.8Confident37 Ų3741.5 Ų41.538%0.38122%0.218SC..Hα-helixtrans-68.2-26.9170.500000114Q338 F339 L340 R398Q338-G342 PolarHBondContact O-N 3.07Å; Q338-G342 VanDerWaalsContact O-N 3.11Å; F339-G342 PolarHBondContact O-N 3.08Å; L340-G342 PolarHBondContact O-N 3.44Å; L340-G342 VanDerWaalsContact O-N 3.17Å; G342-R398 PolarHBondContact O-NH1 3.44Å; G342-R398 PolarHBondContact O-NH2 3.33Å
343Q76.2Confident81.8Confident72 Ų7240.4 Ų40.434%0.33621%0.214SC..SBendtrans-70.6161.6-176.1-57.7-53.1-44.500112.9F339 L340 C341 R345 R398F339-Q343 HydrophobicContact CE1-CG 4.34Å; F339-Q343 VanDerWaalsContact CE2-NE2 3.26Å; F339-Q343 WeakPolarHBondContact O-CG 3.28Å; F339-Q343 PolarHBondContact O-N 3.01Å; F339-Q343 PolarHBondContact O-NE2 2.98Å; L340-Q343 VanDerWaalsContact O-CB 3.31Å; L340-Q343 WeakPolarHBondContact O-CB 3.32Å; L340-Q343 PolarHBondContact O-N 2.84Å; C341-Q343 VanDerWaalsContact C-N 3.32Å; Q343-R345 WeakPolarHBondContact CB-O 3.12Å; Q343-R345 PolarHBondContact O-N 3.27Å; Q343-R398 PolarHBondContact O-NH1 2.91Å; Q343-R398 PolarHBondContact O-NH2 3.19Å
344T69.1Low81.6Confident89 Ų8940.5 Ų40.555%0.54622%0.215SC..SBendtrans-68.9-24.4173.350.90000112.4
345R71.1Confident81.3Confident110 Ų11040.1 Ų40.142%0.41521%0.214SC..SBendtrans-138.9130177.1-64.1-176.6-178.8-177-1.5109.7H118 Q343 L408H118-R345 PolarHBondContact CD2-NH1 2.92Å; H118-R345 PolarHBondContact CD2-NH2 3.24Å; H118-R345 VanDerWaalsContact CD2-NH2 3.31Å; H118-R345 PolarHBondContact CE1-NH1 3.43Å; H118-R345 PolarHBondContact ND1-NH1 3.44Å; H118-R345 PolarHBondContact ND1-NH2 3.2Å; H118-R345 PolarHBondContact NE2-NH1 2.88Å; Q343-R345 WeakPolarHBondContact CB-O 3.12Å; Q343-R345 PolarHBondContact O-N 3.27Å; R345-L408 HydrophobicContact CG-CD1 4.41Å; R345-L408 HydrophobicContact CG-CD2 4.34Å
346F79.4Confident81Confident22 Ų2239.6 Ų39.610%0.09620%0.202CC..  trans-149156.917753.8-90.2000108.8L340 A350 L351 L410L340-F346 HydrophobicContact CB-CB 4.36Å; L340-F346 WeakPolarHBondContact O-CB 3.45Å; F346-A350 HydrophobicContact CD2-CB 4.23Å; F346-L351 HydrophobicContact CE2-CB 4.21Å; F346-L410 HydrophobicContact CD2-CD2 4.43Å; F346-L410 HydrophobicContact CE1-CD1 3.75Å; F346-L410 HydrophobicContact CE1-CD2 4.37Å; F346-L410 HydrophobicContact CE2-CD2 3.72Å; F346-L410 HydrophobicContact CZ-CD1 3.75Å; F346-L410 HydrophobicContact CZ-CD2 3.69Å; F346-L410 HydrophobicContact CZ-CG 4.39Å
347P83.2Confident80.6Confident13 Ų1338.9 Ų38.98%0.08420%0.2CC..  trans-57.8136174.7-22.333.6000110.4A315 I316 H319 E349 A350A315-P347 HydrophobicContact CB-CG 4.39Å; I316-P347 HydrophobicContact CG1-CG 4.13Å; H319-P347 HydrophobicContact CB-CG 4.07Å; P347-E349 PolarHBondContact O-N 3.35Å; P347-E349 VanDerWaalsContact O-N 3.12Å; P347-A350 VanDerWaalsContact O-CB 3.25Å; P347-A350 WeakPolarHBondContact O-CB 3.32Å; P347-A350 PolarHBondContact O-N 3.23Å
348P78.5Confident80.2Confident49 Ų4939 Ų3932%0.31820%0.201SC..Hα-helixtrans-57.8-30.4-17722.5-31.6000112.6A350P348-A350 VanDerWaalsContact C-N 3.28Å; P348-A350 PolarHBondContact O-N 2.87Å
349E83.2Confident79.8Confident97 Ų9736.6 Ų36.645%0.45319%0.191SC..Hα-helixtrans-66.6-26.2177.4-59.681.8-179.500113.1P347 L351 V352 N353P347-E349 PolarHBondContact O-N 3.35Å; P347-E349 VanDerWaalsContact O-N 3.12Å; E349-L351 VanDerWaalsContact C-N 3.28Å; E349-L351 PolarHBondContact O-N 3Å; E349-V352 PolarHBondContact O-N 3.41Å; E349-N353 WeakPolarHBondContact O-CB 3.42Å; E349-N353 VanDerWaalsContact O-CG 3.28Å; E349-N353 PolarHBondContact O-N 3.32Å; E349-N353 PolarHBondContact O-ND2 3.17Å
350A86Confident79.4Confident0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-61.3-37.4-173.700000112.4F346 P347 P348 L354F346-A350 HydrophobicContact CD2-CB 4.23Å; P347-A350 VanDerWaalsContact O-CB 3.25Å; P347-A350 WeakPolarHBondContact O-CB 3.32Å; P347-A350 PolarHBondContact O-N 3.23Å; P348-A350 VanDerWaalsContact C-N 3.28Å; P348-A350 PolarHBondContact O-N 2.87Å; A350-L354 VanDerWaalsContact O-CB 3.32Å; A350-L354 WeakPolarHBondContact O-CB 3.43Å; A350-L354 PolarHBondContact O-N 3.34Å
351L81.3Confident78.7Confident2 Ų240.6 Ų40.61%0.0121%0.206CC..Hα-helixtrans-68.1-46.5177.9-178.965.4000111.2F346 E349 N353 L354 L355 V378 L412F346-L351 HydrophobicContact CE2-CB 4.21Å; E349-L351 VanDerWaalsContact C-N 3.28Å; E349-L351 PolarHBondContact O-N 3Å; L351-N353 VanDerWaalsContact C-N 3.31Å; L351-N353 PolarHBondContact O-N 2.9Å; L351-L354 WeakPolarHBondContact O-CB 3.25Å; L351-L354 PolarHBondContact O-N 3.28Å; L351-L355 HydrophobicContact CG-CD1 4.39Å; L351-L355 WeakPolarHBondContact O-CG 3.43Å; L351-L355 PolarHBondContact O-N 3.18Å; L351-V378 HydrophobicContact CD2-CG1 3.86Å; L351-L412 HydrophobicContact CB-CD2 4.24Å; L351-L412 HydrophobicContact CD2-CD1 3.65Å; L351-L412 HydrophobicContact CD2-CD2 3.62Å; L351-L412 HydrophobicContact CD2-CG 4.3Å
352V78.6Confident78Confident9 Ų943.5 Ų43.56%0.05524%0.236CC..Hα-helixtrans-62.4-44.5-178.7-170.30000110.2E349 L354 L355 F356 I414E349-V352 PolarHBondContact O-N 3.41Å; V352-L354 PolarHBondContact O-N 3Å; V352-L355 WeakPolarHBondContact O-CB 3.39Å; V352-L355 PolarHBondContact O-N 3.35Å; V352-F356 HydrophobicContact CG1-CD2 3.84Å; V352-F356 HydrophobicContact CG1-CE2 3.65Å; V352-F356 WeakPolarHBondContact O-CD2 3.48Å; V352-F356 PolarHBondContact O-N 3.48Å; V352-I414 HydrophobicContact CG1-CG1 4.48Å; V352-I414 HydrophobicContact CG2-CD1 4.09Å; V352-I414 HydrophobicContact CG2-CG1 3.42Å; V352-I414 VanDerWaalsContact CG2-CG1 3.42Å
353N86.3Confident77.2Confident42 Ų4243.5 Ų43.523%0.22523%0.228CC..Hα-helixtrans-63.1-41.5176.4-68.9-26.2000111.9H319 L323 L337 E349 L351 L355 F356 V357H319-N353 PolarHBondContact NE2-ND2 3.24Å; L323-N353 HydrophobicContact CD2-CB 3.94Å; L337-N353 HydrophobicContact CD1-CB 4.48Å; E349-N353 WeakPolarHBondContact O-CB 3.42Å; E349-N353 VanDerWaalsContact O-CG 3.28Å; E349-N353 PolarHBondContact O-N 3.32Å; E349-N353 PolarHBondContact O-ND2 3.17Å; L351-N353 VanDerWaalsContact C-N 3.31Å; L351-N353 PolarHBondContact O-N 2.9Å; N353-L355 VanDerWaalsContact C-N 3.32Å; N353-L355 PolarHBondContact O-N 2.95Å; N353-F356 PolarHBondContact O-N 2.81Å; N353-V357 WeakPolarHBondContact O-CB 3.48Å; N353-V357 VanDerWaalsContact O-CG2 3.25Å; N353-V357 WeakPolarHBondContact O-CG2 3.18Å; N353-V357 PolarHBondContact O-N 3.12Å
354L83.6Confident76Confident2 Ų242 Ų421%0.0123%0.232CC..Hα-helixtrans-59.6-43.2173.9-179.862.9000111.6F334 L337 C341 A350 L351 V352 V357 C358F334-L354 HydrophobicContact CD2-CD1 3.9Å; F334-L354 HydrophobicContact CE2-CD1 3.61Å; F334-L354 HydrophobicContact CZ-CD1 4.22Å; L337-L354 HydrophobicContact CB-CB 4.27Å; L337-L354 HydrophobicContact CB-CD1 3.92Å; C341-L354 HydrophobicContact CB-CD2 4.16Å; A350-L354 VanDerWaalsContact O-CB 3.32Å; A350-L354 WeakPolarHBondContact O-CB 3.43Å; A350-L354 PolarHBondContact O-N 3.34Å; L351-L354 WeakPolarHBondContact O-CB 3.25Å; L351-L354 PolarHBondContact O-N 3.28Å; V352-L354 PolarHBondContact O-N 3Å; L354-V357 PolarHBondContact O-N 3.42Å; L354-C358 PolarHBondContact O-N 3.01Å; L354-C358 PolarHBondContact O-SG 3.39Å
355L78.9Confident74.9Confident20 Ų2038.8 Ų38.811%0.10521%0.214CC..Hα-helixtrans-62.9-46177.9-67.1174000111.7L351 V352 N353 V357 C358 C359 L368 I414 I422L351-L355 HydrophobicContact CG-CD1 4.39Å; L351-L355 WeakPolarHBondContact O-CG 3.43Å; L351-L355 PolarHBondContact O-N 3.18Å; V352-L355 WeakPolarHBondContact O-CB 3.39Å; V352-L355 PolarHBondContact O-N 3.35Å; N353-L355 VanDerWaalsContact C-N 3.32Å; N353-L355 PolarHBondContact O-N 2.95Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 2.58Å; L355-C358 WeakPolarHBondContact O-CB 3.42Å; L355-C358 PolarHBondContact O-N 3Å; L355-C359 PolarHBondContact O-N 2.97Å; L355-C359 PolarHBondContact O-SG 2.91Å; L355-C359 VanDerWaalsContact O-SG 3.37Å; L355-L368 HydrophobicContact CD2-CD2 3.49Å; L355-L368 VanDerWaalsContact CD2-CD2 3.49Å; L355-I414 HydrophobicContact CD1-CD1 4.43Å; L355-I422 HydrophobicContact CB-CD1 4.07Å; L355-I422 HydrophobicContact CB-CG2 4.43Å; L355-I422 HydrophobicContact CD1-CD1 4.4Å
356F81.1Confident73.7Confident43 Ų4340.8 Ų40.819%0.18923%0.228CC..Hα-helixtrans-61.7-40.4175.6-83.5-64.3000112.4V352 N353 C358 C359 K360 E418 F421 I422V352-F356 HydrophobicContact CG1-CD2 3.84Å; V352-F356 HydrophobicContact CG1-CE2 3.65Å; V352-F356 WeakPolarHBondContact O-CD2 3.48Å; V352-F356 PolarHBondContact O-N 3.48Å; N353-F356 PolarHBondContact O-N 2.81Å; F356-C358 VanDerWaalsContact C-N 3.34Å; F356-C358 PolarHBondContact O-N 3.39Å; F356-C359 WeakPolarHBondContact O-CB 3.34Å; F356-C359 PolarHBondContact O-N 3.35Å; F356-K360 WeakPolarHBondContact O-CB 3.44Å; F356-K360 PolarHBondContact O-N 3.1Å; F356-E418 HydrophobicContact CE2-CG 4.41Å; F356-E418 HydrophobicContact CZ-CB 4.2Å; F356-E418 HydrophobicContact CZ-CG 4.15Å; F356-F421 AromaticContact CE1-CD1 3.92Å; F356-F421 HydrophobicContact CE1-CD1 3.92Å; F356-F421 HydrophobicContact CE1-CE1 4.12Å; F356-I422 HydrophobicContact CD1-CG1 4.41Å; F356-I422 HydrophobicContact CD2-CD1 4.43Å; F356-I422 HydrophobicContact CE1-CD1 4.35Å; F356-I422 HydrophobicContact CE1-CG1 4.1Å; F356-I422 HydrophobicContact CE2-CD1 4.14Å; F356-I422 HydrophobicContact CZ-CD1 4.09Å; F356-I422 HydrophobicContact CZ-CG1 4.28Å
357V80.8Confident72.1Confident14 Ų1444.6 Ų44.69%0.08525%0.247CC..Hα-helixtrans-62-43.2174.6171.60000111M326 F334 L337 N353 L354 L355 C359 K360 Y361M326-V357 HydrophobicContact CE-CB 4.21Å; M326-V357 HydrophobicContact CE-CG1 3.37Å; M326-V357 HydrophobicContact CE-CG2 3.68Å; M326-V357 HydrophobicContact CG-CG2 4.32Å; M326-V357 HydrophobicContact SD-CG1 4.25Å; M326-V357 HydrophobicContact SD-CG2 4.05Å; F334-V357 HydrophobicContact CD2-CG1 3.76Å; L337-V357 HydrophobicContact CD1-CG2 4.15Å; N353-V357 WeakPolarHBondContact O-CB 3.48Å; N353-V357 VanDerWaalsContact O-CG2 3.25Å; N353-V357 WeakPolarHBondContact O-CG2 3.18Å; N353-V357 PolarHBondContact O-N 3.12Å; L354-V357 PolarHBondContact O-N 3.42Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 2.58Å; V357-C359 VanDerWaalsContact C-N 3.33Å; V357-C359 PolarHBondContact O-N 3.23Å; V357-K360 PolarHBondContact O-N 3.4Å; V357-Y361 HydrophobicContact CG1-CD2 3.83Å; V357-Y361 HydrophobicContact CG1-CE2 4.1Å; V357-Y361 WeakPolarHBondContact O-CD2 3.32Å; V357-Y361 PolarHBondContact O-N 2.8Å; V357-Y361 VanDerWaalsContact O-N 3.09Å
358C77.6Confident70.5Confident2 Ų244.5 Ų44.51%0.01425%0.246CC..Hα-helixtrans-59.5-44.2174.6-69.10000112L354 L355 F356 G362 V363 L368L354-C358 PolarHBondContact O-N 3.01Å; L354-C358 PolarHBondContact O-SG 3.39Å; L355-C358 WeakPolarHBondContact O-CB 3.42Å; L355-C358 PolarHBondContact O-N 3Å; F356-C358 VanDerWaalsContact C-N 3.34Å; F356-C358 PolarHBondContact O-N 3.39Å; C358-G362 PolarHBondContact O-N 3.18Å; C358-G362 VanDerWaalsContact O-N 3.17Å; C358-V363 PolarHBondContact O-N 2.92Å; C358-V363 VanDerWaalsContact O-N 3.12Å; C358-L368 HydrophobicContact CB-CD1 3.83Å; C358-L368 HydrophobicContact CB-CD2 3.64Å; C358-L368 HydrophobicContact CB-CG 3.7Å; C358-L368 VanDerWaalsContact SG-CD2 3.57Å
359C75.5Confident69Low18 Ų1846.7 Ų46.712%0.12225%0.254CS..Hα-helixtrans-59.8-45.8175.5-71.50000111.6L355 F356 V357 Y361 G362 I425L355-C359 PolarHBondContact O-N 2.97Å; L355-C359 PolarHBondContact O-SG 2.91Å; L355-C359 VanDerWaalsContact O-SG 3.37Å; F356-C359 WeakPolarHBondContact O-CB 3.34Å; F356-C359 PolarHBondContact O-N 3.35Å; V357-C359 VanDerWaalsContact C-N 3.33Å; V357-C359 PolarHBondContact O-N 3.23Å; C359-Y361 PolarHBondContact O-N 3.48Å; C359-G362 PolarHBondContact O-N 2.88Å; C359-I425 HydrophobicContact CB-CB 4.42Å; C359-I425 HydrophobicContact CB-CG2 3.85Å
360K75.8Confident67.1Low95 Ų9546.7 Ų46.741%0.41326%0.261SS..Hα-helixtrans-62.3-43.3-178.2-176.2170.3-168.6134.60113.4F356 V357 V645F356-K360 WeakPolarHBondContact O-CB 3.44Å; F356-K360 PolarHBondContact O-N 3.1Å; V357-K360 PolarHBondContact O-N 3.4Å; K360-V645 PolarHBondContact NZ-OXT 3.19Å
361Y73.3Confident65.1Low114 Ų11447.5 Ų47.545%0.44727%0.266SS..THydrogen-bonded Turntrans-92.54.8-176.9-70-75.6000113.9M326 P330 V357 C359 V363M326-Y361 HydrophobicContact CE-CD2 4.44Å; M326-Y361 HydrophobicContact CE-CE2 3.6Å; P330-Y361 HydrophobicContact CB-CE1 4.23Å; P330-Y361 HydrophobicContact CB-CE2 4.07Å; P330-Y361 VanDerWaalsContact CB-OH 3.26Å; P330-Y361 WeakPolarHBondContact CB-OH 3.41Å; V357-Y361 HydrophobicContact CG1-CD2 3.83Å; V357-Y361 HydrophobicContact CG1-CE2 4.1Å; V357-Y361 WeakPolarHBondContact O-CD2 3.32Å; V357-Y361 PolarHBondContact O-N 2.8Å; V357-Y361 VanDerWaalsContact O-N 3.09Å; C359-Y361 PolarHBondContact O-N 3.48Å; Y361-V363 PolarHBondContact O-N 3.27Å
362G65.8Low63.6Low63 Ų6347.7 Ų47.765%0.64927%0.267SS*.THydrogen-bonded Turntrans60.629.6179.600000112.9C358 C359 G364C358-G362 PolarHBondContact O-N 3.18Å; C358-G362 VanDerWaalsContact O-N 3.17Å; C359-G362 PolarHBondContact O-N 2.88Å; G362-G364 PolarHBondContact O-N 2.89Å
363V56.8Low61.7Low37 Ų3750.2 Ų50.222%0.22430%0.295CS..  trans-69101.8178.4-162.50000106.7C358 Y361 M367C358-V363 PolarHBondContact O-N 2.92Å; C358-V363 VanDerWaalsContact O-N 3.12Å; Y361-V363 PolarHBondContact O-N 3.27Å; V363-M367 HydrophobicContact CG1-CB 3.61Å; V363-M367 HydrophobicContact CG1-CG 3.93Å; V363-M367 HydrophobicContact CG1-SD 3.4Å; V363-M367 WeakPolarHBondContact CG1-SD 3.36Å
364G49.5Very low59.6Low40 Ų4050.5 Ų50.541%0.41230%0.303SS..  trans-50.1152.4-167.700000113.8G362 Q366 M367 L368G362-G364 PolarHBondContact O-N 2.89Å; G364-Q366 PolarHBondContact O-N 3.3Å; G364-M367 PolarHBondContact O-N 3.15Å; G364-L368 PolarHBondContact O-N 3.41Å
365S47.6Very low57.6Low23 Ų2350.5 Ų50.516%0.16130%0.304CS..Hα-helixtrans-46.1-31.6-177.453.60000114.3M367 L368 I369S365-M367 PolarHBondContact O-N 3.43Å; S365-L368 WeakPolarHBondContact O-CB 3.38Å; S365-L368 PolarHBondContact O-N 3.01Å; S365-I369 WeakPolarHBondContact O-CD1 3.42Å; S365-I369 VanDerWaalsContact O-CG1 3.24Å; S365-I369 WeakPolarHBondContact O-CG1 3.38Å; S365-I369 PolarHBondContact O-N 3.35Å; S365-I369 VanDerWaalsContact O-N 3.08Å
366Q44.7Very low55.8Low152 Ų15252 Ų5271%0.7132%0.315SS*.Hα-helixtrans-59.1-40.8174.8-136.886.320.600113.6G364 T370G364-Q366 PolarHBondContact O-N 3.3Å; Q366-T370 WeakPolarHBondContact O-CG2 3.3Å; Q366-T370 PolarHBondContact O-N 3.33Å; Q366-T370 PolarHBondContact O-OG1 3.38Å
367M47Very low53.9Low101 Ų10155.8 Ų55.850%0.49833%0.333SS..Hα-helixtrans-76.7-41.7178.8-157.5173.3-96.100110.1V363 G364 S365 I369 T370 S371V363-M367 HydrophobicContact CG1-CB 3.61Å; V363-M367 HydrophobicContact CG1-CG 3.93Å; V363-M367 HydrophobicContact CG1-SD 3.4Å; V363-M367 WeakPolarHBondContact CG1-SD 3.36Å; G364-M367 PolarHBondContact O-N 3.15Å; S365-M367 PolarHBondContact O-N 3.43Å; M367-I369 PolarHBondContact O-N 3.08Å; M367-T370 VanDerWaalsContact CA-OG1 3.31Å; M367-T370 WeakPolarHBondContact CA-OG1 3.42Å; M367-T370 CarbonylContact O-C 3.56Å; M367-T370 PolarHBondContact O-N 3.05Å; M367-T370 PolarHBondContact O-OG1 2.95Å; M367-T370 VanDerWaalsContact O-OG1 3.13Å; M367-S371 WeakPolarHBondContact O-CB 3.37Å; M367-S371 PolarHBondContact O-N 2.86Å; M367-S371 PolarHBondContact O-OG 2.85Å
368L48.4Very low52Low12 Ų1255.8 Ų55.86%0.06333%0.333CS..Hα-helixtrans-50.2-41.3172.3-93.8154.8000112.8L355 C358 G364 S365 T372 I426L355-L368 HydrophobicContact CD2-CD2 3.49Å; L355-L368 VanDerWaalsContact CD2-CD2 3.49Å; C358-L368 HydrophobicContact CB-CD1 3.83Å; C358-L368 HydrophobicContact CB-CD2 3.64Å; C358-L368 HydrophobicContact CB-CG 3.7Å; C358-L368 VanDerWaalsContact SG-CD2 3.57Å; G364-L368 PolarHBondContact O-N 3.41Å; S365-L368 WeakPolarHBondContact O-CB 3.38Å; S365-L368 PolarHBondContact O-N 3.01Å; L368-T372 PolarHBondContact O-OG1 3.43Å; L368-I426 HydrophobicContact CD1-CD1 3.8Å; L368-I426 HydrophobicContact CD1-CG1 3.9Å
369I46.9Very low50.4Low94 Ų9457 Ų5748%0.48234%0.339SS..Hα-helixtrans-71.4-34.4177.4-64.9163.4000111.8S365 M367 T372 C376S365-I369 WeakPolarHBondContact O-CD1 3.42Å; S365-I369 VanDerWaalsContact O-CG1 3.24Å; S365-I369 WeakPolarHBondContact O-CG1 3.38Å; S365-I369 PolarHBondContact O-N 3.35Å; S365-I369 VanDerWaalsContact O-N 3.08Å; M367-I369 PolarHBondContact O-N 3.08Å; I369-T372 PolarHBondContact O-OG1 3.02Å; I369-C376 PolarHBondContact O-SG 3.43Å
370T43.9Very low48.8Very low98 Ų9863 Ų6360%0.60137%0.365SS*.Hα-helixtrans-91.9-33.8-174.6480000114Q366 M367 T372 G373Q366-T370 WeakPolarHBondContact O-CG2 3.3Å; Q366-T370 PolarHBondContact O-N 3.33Å; Q366-T370 PolarHBondContact O-OG1 3.38Å; M367-T370 VanDerWaalsContact CA-OG1 3.31Å; M367-T370 WeakPolarHBondContact CA-OG1 3.42Å; M367-T370 CarbonylContact O-C 3.56Å; M367-T370 PolarHBondContact O-N 3.05Å; M367-T370 PolarHBondContact O-OG1 2.95Å; M367-T370 VanDerWaalsContact O-OG1 3.13Å; T370-T372 PolarHBondContact O-N 3.49Å; T370-G373 PolarHBondContact O-N 3.33Å
371S43.8Very low47.2Very low16 Ų1662.6 Ų62.611%0.11237%0.367CS..Hα-helixtrans-66.2-22.3176.752.60000112Q338 M367Q338-S371 VanDerWaalsContact NE2-CB 3.35Å; Q338-S371 PolarHBondContact NE2-O 3.11Å; M367-S371 WeakPolarHBondContact O-CB 3.37Å; M367-S371 PolarHBondContact O-N 2.86Å; M367-S371 PolarHBondContact O-OG 2.85Å
372T48.9Very low45.8Very low6 Ų658.5 Ų58.54%0.03735%0.352CS..THydrogen-bonded Turntrans-99.336.9173.255.30000113.2L368 I369 T370 A374 C375 C376 I379L368-T372 PolarHBondContact O-OG1 3.43Å; I369-T372 PolarHBondContact O-OG1 3.02Å; T370-T372 PolarHBondContact O-N 3.49Å; T372-A374 CarbonylContact O-C 3.59Å; T372-A374 PolarHBondContact O-N 2.94Å; T372-C375 HydrophobicContact CG2-CB 4.19Å; T372-C375 CarbonylContact O-C 3.38Å; T372-C375 WeakPolarHBondContact O-CA 3.3Å; T372-C375 PolarHBondContact O-N 3.38Å; T372-C376 PolarHBondContact O-N 2.94Å; T372-I379 HydrophobicContact CG2-CD1 3.99Å
373G40.5Very low44.9Very low62 Ų6261 Ų6164%0.63934%0.342SS*.THydrogen-bonded Turntrans-48.7-19-178.300000116T370T370-G373 PolarHBondContact O-N 3.33Å
374A40.5Very low44Very low48 Ų4863.7 Ų63.740%0.39735%0.354SS..THydrogen-bonded Turntrans-110.7-3.8171.800000115.7T372 R398T372-A374 CarbonylContact O-C 3.59Å; T372-A374 PolarHBondContact O-N 2.94Å; A374-R398 PolarHBondContact O-NE 3.35Å; A374-R398 VanDerWaalsContact O-NE 3.08Å
375C42.8Very low43.4Very low3 Ų367 Ų672%0.0237%0.368CS..THydrogen-bonded Turntrans-107.18.6166.8-460000112.9C341 T372 H377 V378 I379C341-C375 PolarHBondContact O-SG 3.28Å; T372-C375 HydrophobicContact CG2-CB 4.19Å; T372-C375 CarbonylContact O-C 3.38Å; T372-C375 WeakPolarHBondContact O-CA 3.3Å; T372-C375 PolarHBondContact O-N 3.38Å; C375-H377 PolarHBondContact O-N 3.23Å; C375-V378 HydrophobicContact CB-CB 4.14Å; C375-V378 HydrophobicContact CB-CG2 3.83Å; C375-V378 WeakPolarHBondContact O-CA 3.44Å; C375-V378 VanDerWaalsContact O-CB 3.24Å; C375-V378 WeakPolarHBondContact O-CB 3.42Å; C375-V378 PolarHBondContact O-N 3.5Å; C375-I379 PolarHBondContact O-N 3.4Å
376C39.7Very low42.9Very low51 Ų5175.2 Ų75.235%0.34540%0.402SS..Hα-helixtrans-50.4-32.7174.7-85.90000112.8I369 T372 H380I369-C376 PolarHBondContact O-SG 3.43Å; T372-C376 PolarHBondContact O-N 2.94Å; C376-H380 WeakPolarHBondContact O-CB 3.4Å; C376-H380 PolarHBondContact O-N 3.01Å
377H41Very low42.4Very low123 Ų12372.3 Ų72.357%0.56939%0.391SS*.Hα-helixtrans-70.3-34.1173.4-105.972.2000113.9C375 L381C375-H377 PolarHBondContact O-N 3.23Å; H377-L381 WeakPolarHBondContact O-CB 3.48Å; H377-L381 WeakPolarHBondContact O-CG 2.88Å; H377-L381 PolarHBondContact O-N 3.11Å
378V42.7Very low41.8Very low13 Ų1375.3 Ų75.38%0.07940%0.404CS..Hα-helixtrans-62.4-49.8177.1177.70000110.1L351 C375 F382 V396 L412L351-V378 HydrophobicContact CD2-CG1 3.86Å; C375-V378 HydrophobicContact CB-CB 4.14Å; C375-V378 HydrophobicContact CB-CG2 3.83Å; C375-V378 WeakPolarHBondContact O-CA 3.44Å; C375-V378 VanDerWaalsContact O-CB 3.24Å; C375-V378 WeakPolarHBondContact O-CB 3.42Å; C375-V378 PolarHBondContact O-N 3.5Å; V378-F382 HydrophobicContact CG1-CD2 4.18Å; V378-F382 WeakPolarHBondContact O-CB 3.49Å; V378-F382 PolarHBondContact O-N 2.71Å; V378-V396 HydrophobicContact CB-CG1 4.01Å; V378-V396 HydrophobicContact CB-CG2 4.31Å; V378-V396 HydrophobicContact CG1-CG2 3.97Å; V378-V396 HydrophobicContact CG2-CB 3.96Å; V378-V396 HydrophobicContact CG2-CG1 3.2Å; V378-V396 HydrophobicContact CG2-CG2 3.98Å; V378-L412 HydrophobicContact CG1-CD1 3.3Å
379I44.3Very low40.7Very low27 Ų2777.2 Ų77.214%0.13843%0.426CS..Hα-helixtrans-72.1-42.2-178.4-60.6-177.8000109.5T372 C375 L381 F382 W383T372-I379 HydrophobicContact CG2-CD1 3.99Å; C375-I379 PolarHBondContact O-N 3.4Å; I379-L381 VanDerWaalsContact C-N 3.26Å; I379-L381 PolarHBondContact O-N 3.06Å; I379-F382 WeakPolarHBondContact O-CB 3.47Å; I379-F382 PolarHBondContact O-N 2.86Å; I379-W383 VanDerWaalsContact CG2-CD1 3.42Å; I379-W383 HydrophobicContact CG2-CG 4.39Å; I379-W383 PolarHBondContact O-N 3.19Å
380H41.9Very low40Very low145 Ų14580.4 Ų80.467%0.67144%0.439SS*.Hα-helixtrans-65.6-27.2-179.7-145.6-59.6000113.7C376C376-H380 WeakPolarHBondContact O-CB 3.4Å; C376-H380 PolarHBondContact O-N 3.01Å
381L41.3Very low39.4Very low87 Ų8778 Ų7846%0.45542%0.423SS..Hα-helixtrans-79.7-32.8170.2-76.4166.6000112.8H377 I379 W383 L384H377-L381 WeakPolarHBondContact O-CB 3.48Å; H377-L381 WeakPolarHBondContact O-CG 2.88Å; H377-L381 PolarHBondContact O-N 3.11Å; I379-L381 VanDerWaalsContact C-N 3.26Å; I379-L381 PolarHBondContact O-N 3.06Å; L381-W383 VanDerWaalsContact C-N 3.31Å; L381-W383 PolarHBondContact O-N 3.27Å; L381-L384 HydrophobicContact CD2-CD1 4.47Å
382F43.2Very low38.8Very low28 Ų2883.8 Ų83.812%0.12344%0.444CS..Hα-helixtrans-65-33.4176.4-116.2-80.1000113V378 I379 V393 L412 I414 H419V378-F382 HydrophobicContact CG1-CD2 4.18Å; V378-F382 WeakPolarHBondContact O-CB 3.49Å; V378-F382 PolarHBondContact O-N 2.71Å; I379-F382 WeakPolarHBondContact O-CB 3.47Å; I379-F382 PolarHBondContact O-N 2.86Å; F382-V393 HydrophobicContact CD2-CG2 4.18Å; F382-V393 HydrophobicContact CE1-CG2 4.34Å; F382-V393 HydrophobicContact CE2-CB 4.07Å; F382-V393 HydrophobicContact CE2-CG1 4.42Å; F382-V393 HydrophobicContact CE2-CG2 3.51Å; F382-V393 HydrophobicContact CZ-CB 4.4Å; F382-V393 HydrophobicContact CZ-CG2 3.6Å; F382-L412 HydrophobicContact CE2-CD1 4.3Å; F382-I414 HydrophobicContact CE1-CD1 4.29Å; F382-I414 HydrophobicContact CE2-CD1 3.9Å; F382-I414 HydrophobicContact CZ-CB 4.13Å; F382-I414 HydrophobicContact CZ-CD1 3.54Å; F382-I414 HydrophobicContact CZ-CG1 4.34Å; F382-H419 AromaticContact CD1-CD2 3.2Å; F382-H419 WeakPolarHBondContact CD1-CD2 3.45Å; F382-H419 AromaticContact CD1-NE2 3.47Å; F382-H419 WeakPolarHBondContact CD1-NE2 3.48Å; F382-H419 HydrophobicContact CE1-CB 4.35Å; F382-H419 AromaticContact CE1-CD2 3.23Å; F382-H419 WeakPolarHBondContact CE1-CD2 3.45Å; F382-H419 AromaticContact CE1-CG 3.94Å; F382-H419 AromaticContact CE1-NE2 3.93Å
383W47.6Very low38.2Very low115 Ų11584.5 Ų84.544%0.43645%0.448SS..THydrogen-bonded Turntrans-96.47.2-171.1-72.772.4000114.5I379 L381 A423 I426I379-W383 VanDerWaalsContact CG2-CD1 3.42Å; I379-W383 HydrophobicContact CG2-CG 4.39Å; I379-W383 PolarHBondContact O-N 3.19Å; L381-W383 VanDerWaalsContact C-N 3.31Å; L381-W383 PolarHBondContact O-N 3.27Å; W383-A423 HydrophobicContact CH2-CB 4.18Å; W383-I426 HydrophobicContact CH2-CB 3.97Å; W383-I426 HydrophobicContact CH2-CD1 4.42Å; W383-I426 HydrophobicContact CH2-CG2 3.77Å; W383-I426 HydrophobicContact CZ2-CB 4.3Å; W383-I426 HydrophobicContact CZ2-CD1 3.91Å; W383-I426 HydrophobicContact CZ2-CG2 4.06Å
384L38.8Very low37.9Very low93 Ų9387.6 Ų87.649%0.48744%0.444SS..SBendtrans-74.7130.6172-79.3166.3000110.1L381 F386 N387L381-L384 HydrophobicContact CD2-CD1 4.47Å; L384-F386 PolarHBondContact O-N 2.84Å; L384-N387 PolarHBondContact O-N 3.13Å
385P35.6Very low37.5Very low109 Ų10990.6 Ų90.671%0.70845%0.45SS*.THydrogen-bonded Turntrans-63.21-173.122.4-32.7000115.7
386F37.5Very low37.2Very low197 Ų19790.9 Ų90.986%0.86445%0.451SS*.THydrogen-bonded Turntrans-89.4-5.5-176.8-89.9-85.3000115.3L384 Q388L384-F386 PolarHBondContact O-N 2.84Å; F386-Q388 PolarHBondContact O-N 3.28Å
387N34.8Very low36.9Very low90 Ų9092.3 Ų92.348%0.48145%0.453SS..  trans-97.966.3-175.7-98.5-14.7000112.8L384 V391L384-N387 PolarHBondContact O-N 3.13Å; N387-V391 HydrophobicContact CB-CG2 3.79Å
388Q32.9Very low36.6Very low165 Ų16590 Ų9077%0.77144%0.439SS*.  trans-94-3.6176.8-73.3-167.4-7.800115.3F386 K416F386-Q388 PolarHBondContact O-N 3.28Å; Q388-K416 PolarHBondContact O-NZ 2.95Å; Q388-K416 VanDerWaalsContact O-NZ 3.12Å
389G26Very low36.2Very low52 Ų5298.6 Ų98.654%0.53647%0.472SS..SBendtrans-111.8119.2-179.100000112.4V391G389-V391 VanDerWaalsContact C-N 3.34Å; G389-V391 WeakPolarHBondContact O-CG2 3.38Å; G389-V391 PolarHBondContact O-N 2.91Å
390H31.7Very low35.9Very low161 Ų161101.9 Ų101.975%0.74549%0.489SS*.  trans17.367166.5-70.7-84.4000115.5Y392H390-Y392 PolarHBondContact O-N 3.24Å
391V33.1Very low35.6Very low46 Ų46100.5 Ų100.528%0.27950%0.496SS..  trans-88.986.9-176.4-161.80000108.4N387 G389 V393N387-V391 HydrophobicContact CB-CG2 3.79Å; G389-V391 VanDerWaalsContact C-N 3.34Å; G389-V391 WeakPolarHBondContact O-CG2 3.38Å; G389-V391 PolarHBondContact O-N 2.91Å; V391-V393 HydrophobicContact CB-CG2 4.26Å; V391-V393 HydrophobicContact CG1-CB 4.29Å; V391-V393 HydrophobicContact CG1-CG2 3.38Å; V391-V393 PolarHBondContact O-N 3.42Å
392Y30.7Very low35.4Very low139 Ų139105.3 Ų105.355%0.54551%0.514SS..  trans-57.7103.1140.1-72.2-88.3000105.2H390 K394H390-Y392 PolarHBondContact O-N 3.24Å; Y392-K394 PolarHBondContact O-N 3.43Å
393V36Very low35.1Very low20 Ų20106.6 Ų106.612%0.12153%0.526CS..EExtended strand (participates in β ladder)trans-72.181.7170.9178.70000105.7F382 V391 Q395 V396 L412F382-V393 HydrophobicContact CD2-CG2 4.18Å; F382-V393 HydrophobicContact CE1-CG2 4.34Å; F382-V393 HydrophobicContact CE2-CB 4.07Å; F382-V393 HydrophobicContact CE2-CG1 4.42Å; F382-V393 HydrophobicContact CE2-CG2 3.51Å; F382-V393 HydrophobicContact CZ-CB 4.4Å; F382-V393 HydrophobicContact CZ-CG2 3.6Å; V391-V393 HydrophobicContact CB-CG2 4.26Å; V391-V393 HydrophobicContact CG1-CB 4.29Å; V391-V393 HydrophobicContact CG1-CG2 3.38Å; V391-V393 PolarHBondContact O-N 3.42Å; V393-Q395 PolarHBondContact O-N 3.15Å; V393-V396 HydrophobicContact CG1-CG2 3.67Å; V393-L412 HydrophobicContact CB-CB 4.32Å; V393-L412 PolarHBondContact O-N 3.22Å
394K34.1Very low34.6Very low128 Ų128108.5 Ų108.556%0.55755%0.55SS*.EExtended strand (participates in β ladder)trans-68.2-18.3-178.2-85.5-167.4168.5-175.10112.7Y392 T409 E411Y392-K394 PolarHBondContact O-N 3.43Å; K394-T409 WeakPolarHBondContact O-CG2 3.49Å; K394-E411 HydrophobicContact CB-CG 4.3Å; K394-E411 HydrophobicContact CG-CG 4.25Å; K394-E411 VanDerWaalsContact O-CG 3.32Å; K394-E411 WeakPolarHBondContact O-CG 3.47Å
395Q32.8Very low34.3Very low111 Ų111109.8 Ų109.852%0.51956%0.556SS.*EExtended strand (participates in β ladder)trans-141.9112.2-177.2-98.8179.5-46.300110.8V393 T409V393-Q395 PolarHBondContact O-N 3.15Å; Q395-T409 HydrophobicContact CB-CG2 4.26Å; Q395-T409 HydrophobicContact CG-CG2 3.13Å; Q395-T409 PolarHBondContact NE2-OG1 2.99Å
396V36.8Very low34.2Very low8 Ų8108.9 Ų108.95%0.04855%0.551CS.*EExtended strand (participates in β ladder)trans-106.3111.5150.1-175.10000108.4V378 V393 L410 L412V378-V396 HydrophobicContact CB-CG1 4.01Å; V378-V396 HydrophobicContact CB-CG2 4.31Å; V378-V396 HydrophobicContact CG1-CG2 3.97Å; V378-V396 HydrophobicContact CG2-CB 3.96Å; V378-V396 HydrophobicContact CG2-CG1 3.2Å; V378-V396 HydrophobicContact CG2-CG2 3.98Å; V393-V396 HydrophobicContact CG1-CG2 3.67Å; V396-L410 HydrophobicContact CB-CB 4.48Å; V396-L410 PolarHBondContact N-O 3.3Å; V396-L410 VanDerWaalsContact N-O 3.17Å; V396-L410 PolarHBondContact O-N 3.39Å; V396-L412 HydrophobicContact CG2-CD1 3.53Å; V396-L412 HydrophobicContact CG2-CG 4.3Å
397E33.2Very low34.3Very low81 Ų81102.2 Ų102.238%0.37953%0.527SS..EExtended strand (participates in β ladder)trans-82.1115.9171.4-65.3-167.7160.100109.8Y399 P407E397-Y399 PolarHBondContact O-N 3.11Å; E397-P407 HydrophobicContact CB-CB 3.72Å; E397-P407 HydrophobicContact CG-CB 3.78Å; E397-P407 HydrophobicContact CG-CG 4.36Å
398R34.9Very low34.5Very low74 Ų74101 Ų10128%0.27952%0.52SS..  trans-76.8103.7168.9-135.9-171.6-160.7179.818.5108.4C341 G342 Q343 A374 D400C341-R398 PolarHBondContact O-NH2 3.46Å; G342-R398 PolarHBondContact O-NH1 3.44Å; G342-R398 PolarHBondContact O-NH2 3.33Å; Q343-R398 PolarHBondContact O-NH1 2.91Å; Q343-R398 PolarHBondContact O-NH2 3.19Å; A374-R398 PolarHBondContact O-NE 3.35Å; A374-R398 VanDerWaalsContact O-NE 3.08Å; R398-D400 PolarHBondContact O-N 3.17Å
399Y33.1Very low34.9Very low194 Ų19496.1 Ų96.176%0.76150%0.502SS*.  trans-82.598.5170-116.3-91000109.4E397E397-Y399 PolarHBondContact O-N 3.11Å
400D38.2Very low35.8Very low96 Ų9695.2 Ų95.251%0.51349%0.485SS..  trans-101105.8163.3-173.9-0.4000108.7R398 K402 S403R398-D400 PolarHBondContact O-N 3.17Å; D400-K402 PolarHBondContact O-N 3.23Å; D400-K402 PolarHBondContact OD1-N 3.36Å; D400-S403 PolarHBondContact O-N 3.42Å
401S34.6Very low36.6Very low116 Ų11690.1 Ų90.181%0.81146%0.461SS*.THydrogen-bonded Turntrans-56.9-9.7-177.661.10000115
402K37.8Very low37.6Very low189 Ų18988.1 Ų88.182%0.82245%0.449SS*.THydrogen-bonded Turntrans-112.7-2.9179.2-66.7-177.2179.9177.10114.7D400D400-K402 PolarHBondContact O-N 3.23Å; D400-K402 PolarHBondContact OD1-N 3.36Å
403S36.6Very low38.9Very low55 Ų5587.4 Ų87.439%0.38545%0.445SS..  trans-99.8133.1-177.7132.20000111.4D400 L405D400-S403 PolarHBondContact O-N 3.42Å; S403-L405 PolarHBondContact O-N 3.45Å; S403-L405 PolarHBondContact OG-N 2.84Å
404V36.7Very low40.2Very low154 Ų15487 Ų8793%0.93344%0.442SS*.  trans-82.3-0.9175.6-174.20000111.7
405L34.1Very low42Very low120 Ų12085.4 Ų85.463%0.62844%0.439SS*.SBendtrans-79.9140.2178.6-77.9152.5000110.3S403S403-L405 PolarHBondContact O-N 3.45Å; S403-L405 PolarHBondContact OG-N 2.84Å
406P33.2Very low44Very low90 Ų9085 Ų8558%0.58444%0.436SS*.PPolyproline II helixtrans-60152.8177.525.7-32.6000110.6L408P406-L408 PolarHBondContact O-N 2.68Å; P406-L408 VanDerWaalsContact O-N 3.07Å
407P38.7Very low46Very low58 Ų5885.9 Ų85.938%0.37744%0.438SS..PPolyproline II helixtrans-55.3120176.522.2-31000109.1E397 T409E397-P407 HydrophobicContact CB-CB 3.72Å; E397-P407 HydrophobicContact CG-CB 3.78Å; E397-P407 HydrophobicContact CG-CG 4.36Å; P407-T409 PolarHBondContact O-N 3.08Å
408L39.4Very low48.1Very low64 Ų6484 Ų8434%0.33543%0.429SS..  trans-74107.9175.8-104.1143.4000107.7R345 P406 L410R345-L408 HydrophobicContact CG-CD1 4.41Å; R345-L408 HydrophobicContact CG-CD2 4.34Å; P406-L408 PolarHBondContact O-N 2.68Å; P406-L408 VanDerWaalsContact O-N 3.07Å; L408-L410 PolarHBondContact O-N 3.32Å; L408-L410 VanDerWaalsContact O-N 3.09Å
409T40.6Very low50.1Low63 Ų6382.6 Ų82.639%0.38743%0.426SS..EExtended strand (participates in β ladder)trans-64.399.8168.7-63.90000109.4K394 Q395 P407K394-T409 WeakPolarHBondContact O-CG2 3.49Å; Q395-T409 HydrophobicContact CB-CG2 4.26Å; Q395-T409 HydrophobicContact CG-CG2 3.13Å; Q395-T409 PolarHBondContact NE2-OG1 2.99Å; P407-T409 PolarHBondContact O-N 3.08Å
410L45.8Very low52.4Low32 Ų3275.7 Ų75.717%0.16840%0.403CS..EExtended strand (participates in β ladder)trans-85.1113.2166.4-110.3131.8000108.6F346 V396 L408 L412F346-L410 HydrophobicContact CD2-CD2 4.43Å; F346-L410 HydrophobicContact CE1-CD1 3.75Å; F346-L410 HydrophobicContact CE1-CD2 4.37Å; F346-L410 HydrophobicContact CE2-CD2 3.72Å; F346-L410 HydrophobicContact CZ-CD1 3.75Å; F346-L410 HydrophobicContact CZ-CD2 3.69Å; F346-L410 HydrophobicContact CZ-CG 4.39Å; V396-L410 HydrophobicContact CB-CB 4.48Å; V396-L410 PolarHBondContact N-O 3.3Å; V396-L410 VanDerWaalsContact N-O 3.17Å; V396-L410 PolarHBondContact O-N 3.39Å; L408-L410 PolarHBondContact O-N 3.32Å; L408-L410 VanDerWaalsContact O-N 3.09Å; L410-L412 HydrophobicContact CD2-CD2 4.07Å; L410-L412 PolarHBondContact O-N 2.92Å
411E49.4Very low54.5Low55 Ų5571.3 Ų71.326%0.25738%0.379SS..EExtended strand (participates in β ladder)trans-74.198.5162.8-77.2-164.2155.100107.8K394 R413K394-E411 HydrophobicContact CB-CG 4.3Å; K394-E411 HydrophobicContact CG-CG 4.25Å; K394-E411 VanDerWaalsContact O-CG 3.32Å; K394-E411 WeakPolarHBondContact O-CG 3.47Å; E411-R413 PolarHBondContact O-N 3.09Å
412L53.2Low56.6Low3 Ų366.2 Ų66.22%0.01634%0.342CS..EExtended strand (participates in β ladder)trans-83.1112.8169.6-71.2172000108.3L351 V378 F382 V393 V396 L410 I414L351-L412 HydrophobicContact CB-CD2 4.24Å; L351-L412 HydrophobicContact CD2-CD1 3.65Å; L351-L412 HydrophobicContact CD2-CD2 3.62Å; L351-L412 HydrophobicContact CD2-CG 4.3Å; V378-L412 HydrophobicContact CG1-CD1 3.3Å; F382-L412 HydrophobicContact CE2-CD1 4.3Å; V393-L412 HydrophobicContact CB-CB 4.32Å; V393-L412 PolarHBondContact O-N 3.22Å; V396-L412 HydrophobicContact CG2-CD1 3.53Å; V396-L412 HydrophobicContact CG2-CG 4.3Å; L410-L412 HydrophobicContact CD2-CD2 4.07Å; L410-L412 PolarHBondContact O-N 2.92Å; L412-I414 PolarHBondContact O-N 3.42Å
413R57Low58.6Low124 Ų12457.8 Ų57.847%0.46831%0.308SS..  trans-92.383.6172.3-68.9-179.6178.6-141.7-3.7108.7E182 E411E182-R413 IonicContact OE1-CZ 3.92Å; E182-R413 IonicContact OE1-NH1 3.38Å; E182-R413 PolarHBondContact OE1-NH1 3.22Å; E182-R413 IonicContact OE1-NH2 2.81Å; E182-R413 PolarHBondContact OE1-NH2 2.96Å; E411-R413 PolarHBondContact O-N 3.09Å
414I65.2Low60.8Low13 Ų1355.1 Ų55.17%0.06729%0.29CS..  trans-104.8123.4165.5-66.9166.3000106.2V352 L355 F382 L412 E418 H419V352-I414 HydrophobicContact CG1-CG1 4.48Å; V352-I414 HydrophobicContact CG2-CD1 4.09Å; V352-I414 HydrophobicContact CG2-CG1 3.42Å; V352-I414 VanDerWaalsContact CG2-CG1 3.42Å; L355-I414 HydrophobicContact CD1-CD1 4.43Å; F382-I414 HydrophobicContact CE1-CD1 4.29Å; F382-I414 HydrophobicContact CE2-CD1 3.9Å; F382-I414 HydrophobicContact CZ-CB 4.13Å; F382-I414 HydrophobicContact CZ-CD1 3.54Å; F382-I414 HydrophobicContact CZ-CG1 4.34Å; L412-I414 PolarHBondContact O-N 3.42Å; I414-E418 HydrophobicContact CG2-CB 4.02Å; I414-H419 HydrophobicContact CG2-CB 3.83Å
415L71.7Confident62.8Low93 Ų9348.6 Ų48.649%0.48725%0.249SC..  trans-65.2144.6173.6-66.6169.5000108.9Y417 E418 H419L415-Y417 PolarHBondContact O-N 3.31Å; L415-Y417 VanDerWaalsContact O-N 3.15Å; L415-E418 HydrophobicContact CB-CB 4.38Å; L415-E418 HydrophobicContact CB-CG 3.97Å; L415-E418 WeakPolarHBondContact CB-OE2 3.45Å; L415-E418 HydrophobicContact CD1-CG 4.48Å; L415-E418 PolarHBondContact N-OE2 3.29Å; L415-E418 WeakPolarHBondContact O-CB 3.44Å; L415-E418 PolarHBondContact O-N 3.12Å; L415-H419 PolarHBondContact O-N 3.04Å
416K74.7Confident64.8Low102 Ų10244.1 Ų44.144%0.44323%0.226SC..Hα-helixtrans-51.6-42.9178176.8170.6177.8171.20111.9Q388 H419 D420Q388-K416 PolarHBondContact O-NZ 2.95Å; Q388-K416 VanDerWaalsContact O-NZ 3.12Å; K416-H419 WeakPolarHBondContact O-CB 3.37Å; K416-H419 PolarHBondContact O-N 3.01Å; K416-D420 WeakPolarHBondContact CG-OD2 3.5Å; K416-D420 WeakPolarHBondContact O-CB 3.43Å; K416-D420 PolarHBondContact O-N 2.85Å
417Y78.9Confident66.9Low27 Ų2740.9 Ų40.911%0.10620%0.203CC..Hα-helixtrans-59.3-46.1176.1164.1-87.1000112.6L415 H419 D420 F421 L442 Q446 L482 V486L415-Y417 PolarHBondContact O-N 3.31Å; L415-Y417 VanDerWaalsContact O-N 3.15Å; Y417-H419 VanDerWaalsContact C-N 3.32Å; Y417-H419 PolarHBondContact O-N 3.35Å; Y417-D420 PolarHBondContact O-N 3Å; Y417-F421 WeakPolarHBondContact O-CB 3.17Å; Y417-F421 PolarHBondContact O-N 3.44Å; Y417-L442 HydrophobicContact CD2-CD2 4.21Å; Y417-Q446 HydrophobicContact CD2-CG 4.07Å; Y417-Q446 VanDerWaalsContact CD2-NE2 3.31Å; Y417-Q446 HydrophobicContact CE2-CG 3.77Å; Y417-L482 HydrophobicContact CD1-CB 4.35Å; Y417-L482 HydrophobicContact CD1-CD1 4.19Å; Y417-L482 HydrophobicContact CD1-CD2 3.88Å; Y417-L482 HydrophobicContact CD1-CG 4.36Å; Y417-L482 HydrophobicContact CE1-CB 3.91Å; Y417-L482 HydrophobicContact CE1-CD2 3.66Å; Y417-L482 HydrophobicContact CE1-CG 4.22Å; Y417-L482 HydrophobicContact CE2-CB 4.25Å; Y417-L482 HydrophobicContact CG-CD1 4.48Å; Y417-L482 PolarHBondContact OH-O 3.38Å; Y417-V486 HydrophobicContact CE2-CG2 3.69Å; Y417-V486 WeakPolarHBondContact OH-CG2 3.36Å
418E75.8Confident68.8Low41 Ų4140.2 Ų40.219%0.19220%0.195CC..Hα-helixtrans-63.3-41.8179.3-66.3169.8149.700110.7F356 I414 L415 F421 I422F356-E418 HydrophobicContact CE2-CG 4.41Å; F356-E418 HydrophobicContact CZ-CB 4.2Å; F356-E418 HydrophobicContact CZ-CG 4.15Å; I414-E418 HydrophobicContact CG2-CB 4.02Å; L415-E418 HydrophobicContact CB-CB 4.38Å; L415-E418 HydrophobicContact CB-CG 3.97Å; L415-E418 WeakPolarHBondContact CB-OE2 3.45Å; L415-E418 HydrophobicContact CD1-CG 4.48Å; L415-E418 PolarHBondContact N-OE2 3.29Å; L415-E418 WeakPolarHBondContact O-CB 3.44Å; L415-E418 PolarHBondContact O-N 3.12Å; E418-F421 PolarHBondContact O-N 3.38Å; E418-I422 WeakPolarHBondContact O-CB 3.48Å; E418-I422 WeakPolarHBondContact O-CD1 3.34Å; E418-I422 WeakPolarHBondContact O-CG1 3.15Å; E418-I422 PolarHBondContact O-N 2.85Å
419H77.7Confident70.6Confident46 Ų4642.1 Ų42.121%0.21321%0.211CC..Hα-helixtrans-59-52174.9170.1-94.4000111.8F382 I414 L415 K416 Y417 F421 I422 A423F382-H419 AromaticContact CD1-CD2 3.2Å; F382-H419 WeakPolarHBondContact CD1-CD2 3.45Å; F382-H419 AromaticContact CD1-NE2 3.47Å; F382-H419 WeakPolarHBondContact CD1-NE2 3.48Å; F382-H419 HydrophobicContact CE1-CB 4.35Å; F382-H419 AromaticContact CE1-CD2 3.23Å; F382-H419 WeakPolarHBondContact CE1-CD2 3.45Å; F382-H419 AromaticContact CE1-CG 3.94Å; F382-H419 AromaticContact CE1-NE2 3.93Å; I414-H419 HydrophobicContact CG2-CB 3.83Å; L415-H419 PolarHBondContact O-N 3.04Å; K416-H419 WeakPolarHBondContact O-CB 3.37Å; K416-H419 PolarHBondContact O-N 3.01Å; Y417-H419 VanDerWaalsContact C-N 3.32Å; Y417-H419 PolarHBondContact O-N 3.35Å; H419-F421 VanDerWaalsContact C-N 3.28Å; H419-F421 PolarHBondContact O-N 3.35Å; H419-I422 PolarHBondContact O-N 3.15Å; H419-A423 VanDerWaalsContact O-CB 3.3Å; H419-A423 WeakPolarHBondContact O-CB 3.29Å; H419-A423 PolarHBondContact O-N 2.93Å
420D80.3Confident72.3Confident49 Ų4946 Ų4626%0.26223%0.225SC..Hα-helixtrans-64.5-37.6-175.8-66.2-15.6000110.7K416 Y417 A424 L442K416-D420 WeakPolarHBondContact CG-OD2 3.5Å; K416-D420 WeakPolarHBondContact O-CB 3.43Å; K416-D420 PolarHBondContact O-N 2.85Å; Y417-D420 PolarHBondContact O-N 3Å; D420-A424 WeakPolarHBondContact O-CB 3.39Å; D420-A424 PolarHBondContact O-N 3.31Å; D420-L442 HydrophobicContact CB-CD1 4.39Å; D420-L442 HydrophobicContact CB-CD2 4.01Å
421F83.6Confident74.1Confident3 Ų346.3 Ų46.31%0.01323%0.229CC..Hα-helixtrans-63.8-53.6172.8-178.7-107.2000111.9F356 Y417 E418 H419 A423 A424 I425 I439 L442 P485 V486 E489 V645F356-F421 AromaticContact CE1-CD1 3.92Å; F356-F421 HydrophobicContact CE1-CD1 3.92Å; F356-F421 HydrophobicContact CE1-CE1 4.12Å; Y417-F421 WeakPolarHBondContact O-CB 3.17Å; Y417-F421 PolarHBondContact O-N 3.44Å; E418-F421 PolarHBondContact O-N 3.38Å; H419-F421 VanDerWaalsContact C-N 3.28Å; H419-F421 PolarHBondContact O-N 3.35Å; F421-A423 VanDerWaalsContact C-N 3.28Å; F421-A423 PolarHBondContact O-N 2.89Å; F421-A424 WeakPolarHBondContact O-CB 3.5Å; F421-A424 PolarHBondContact O-N 3.49Å; F421-I425 HydrophobicContact CD1-CG1 4.4Å; F421-I425 HydrophobicContact CE1-CD1 4.45Å; F421-I425 HydrophobicContact CE1-CG1 4.07Å; F421-I425 HydrophobicContact CE2-CD1 4Å; F421-I425 HydrophobicContact CE2-CG1 4.3Å; F421-I425 HydrophobicContact CZ-CD1 3.89Å; F421-I425 HydrophobicContact CZ-CG1 4.01Å; F421-I425 WeakPolarHBondContact O-CG1 3.25Å; F421-I425 PolarHBondContact O-N 2.96Å; F421-I439 HydrophobicContact CD2-CD1 3.87Å; F421-I439 HydrophobicContact CE2-CD1 3.95Å; F421-L442 HydrophobicContact CB-CD1 4.17Å; F421-L442 HydrophobicContact CD2-CD1 4.48Å; F421-P485 HydrophobicContact CZ-CB 4.49Å; F421-V486 HydrophobicContact CD2-CB 4.5Å; F421-V486 HydrophobicContact CD2-CG1 4.41Å; F421-V486 HydrophobicContact CD2-CG2 3.87Å; F421-V486 HydrophobicContact CE2-CB 4.43Å; F421-V486 HydrophobicContact CE2-CG2 4.14Å; F421-E489 HydrophobicContact CE2-CB 4.31Å; F421-V645 HydrophobicContact CE1-CG1 4.2Å; F421-V645 HydrophobicContact CZ-CG1 4.48Å; F421-V645 HydrophobicContact CZ-CG2 4.19Å
422I79.1Confident75.8Confident9 Ų946.9 Ų46.95%0.04624%0.238CC..Hα-helixtrans-57.1-43.1178.7-71.5165000110.9L355 F356 E418 H419 A424 I425 I426L355-I422 HydrophobicContact CB-CD1 4.07Å; L355-I422 HydrophobicContact CB-CG2 4.43Å; L355-I422 HydrophobicContact CD1-CD1 4.4Å; F356-I422 HydrophobicContact CD1-CG1 4.41Å; F356-I422 HydrophobicContact CD2-CD1 4.43Å; F356-I422 HydrophobicContact CE1-CD1 4.35Å; F356-I422 HydrophobicContact CE1-CG1 4.1Å; F356-I422 HydrophobicContact CE2-CD1 4.14Å; F356-I422 HydrophobicContact CZ-CD1 4.09Å; F356-I422 HydrophobicContact CZ-CG1 4.28Å; E418-I422 WeakPolarHBondContact O-CB 3.48Å; E418-I422 WeakPolarHBondContact O-CD1 3.34Å; E418-I422 WeakPolarHBondContact O-CG1 3.15Å; E418-I422 PolarHBondContact O-N 2.85Å; H419-I422 PolarHBondContact O-N 3.15Å; I422-A424 VanDerWaalsContact C-N 3.34Å; I422-A424 PolarHBondContact O-N 3.3Å; I422-I425 PolarHBondContact O-N 3.4Å; I422-I426 HydrophobicContact CG2-CD1 3.51Å; I422-I426 HydrophobicContact CG2-CG1 4.33Å; I422-I426 WeakPolarHBondContact O-CB 3.41Å; I422-I426 VanDerWaalsContact O-CG1 3.32Å; I422-I426 WeakPolarHBondContact O-CG1 3.36Å; I422-I426 PolarHBondContact O-N 2.97Å
423A78.6Confident77.5Confident12 Ų1254.3 Ų54.310%0.09927%0.272CS..Hα-helixtrans-60-44.917700000111.4W383 H419 F421 I425 I426 M427W383-A423 HydrophobicContact CH2-CB 4.18Å; H419-A423 VanDerWaalsContact O-CB 3.3Å; H419-A423 WeakPolarHBondContact O-CB 3.29Å; H419-A423 PolarHBondContact O-N 2.93Å; F421-A423 VanDerWaalsContact C-N 3.28Å; F421-A423 PolarHBondContact O-N 2.89Å; A423-I425 PolarHBondContact O-N 2.94Å; A423-I426 PolarHBondContact O-N 3.32Å; A423-M427 WeakPolarHBondContact O-CE 3.47Å; A423-M427 WeakPolarHBondContact O-CG 3.41Å; A423-M427 PolarHBondContact O-N 2.79Å
424A83Confident79.1Confident0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-62.5-40.5178.100000112.7D420 F421 I422 M427 S435 K438 I439D420-A424 WeakPolarHBondContact O-CB 3.39Å; D420-A424 PolarHBondContact O-N 3.31Å; F421-A424 WeakPolarHBondContact O-CB 3.5Å; F421-A424 PolarHBondContact O-N 3.49Å; I422-A424 VanDerWaalsContact C-N 3.34Å; I422-A424 PolarHBondContact O-N 3.3Å; A424-M427 VanDerWaalsContact O-CG 3.32Å; A424-M427 WeakPolarHBondContact O-CG 3.47Å; A424-S435 WeakPolarHBondContact O-CB 3.33Å; A424-S435 PolarHBondContact O-OG 3.34Å; A424-K438 HydrophobicContact CB-CB 3.91Å; A424-I439 HydrophobicContact CB-CD1 3.66Å; A424-I439 HydrophobicContact CB-CG1 3.96Å
425I79.9Confident80.1Confident17 Ų1752.2 Ų52.29%0.08727%0.268CS..Hα-helixtrans-65.4-48.2175.9-57.2-58.6000111.2C359 F421 I422 A423 M427 Q428 I439 E489C359-I425 HydrophobicContact CB-CB 4.42Å; C359-I425 HydrophobicContact CB-CG2 3.85Å; F421-I425 HydrophobicContact CD1-CG1 4.4Å; F421-I425 HydrophobicContact CE1-CD1 4.45Å; F421-I425 HydrophobicContact CE1-CG1 4.07Å; F421-I425 HydrophobicContact CE2-CD1 4Å; F421-I425 HydrophobicContact CE2-CG1 4.3Å; F421-I425 HydrophobicContact CZ-CD1 3.89Å; F421-I425 HydrophobicContact CZ-CG1 4.01Å; F421-I425 WeakPolarHBondContact O-CG1 3.25Å; F421-I425 PolarHBondContact O-N 2.96Å; I422-I425 PolarHBondContact O-N 3.4Å; A423-I425 PolarHBondContact O-N 2.94Å; I425-M427 VanDerWaalsContact C-N 3.27Å; I425-M427 PolarHBondContact O-N 3Å; I425-Q428 WeakPolarHBondContact O-CB 3.35Å; I425-Q428 PolarHBondContact O-N 3.44Å; I425-Q428 VanDerWaalsContact O-N 3.08Å; I425-I439 HydrophobicContact CD1-CD1 4.3Å; I425-E489 HydrophobicContact CD1-CB 4.39Å; I425-E489 HydrophobicContact CD1-CG 3.48Å; I425-E489 VanDerWaalsContact CD1-CG 3.48Å
426I75.4Confident81.1Confident26 Ų2648.4 Ų48.413%0.13325%0.248CC..Hα-helixtrans-64.6-32.3-173.9-71.3170.2000112.2L368 W383 I422 A423 Q428 P429L368-I426 HydrophobicContact CD1-CD1 3.8Å; L368-I426 HydrophobicContact CD1-CG1 3.9Å; W383-I426 HydrophobicContact CH2-CB 3.97Å; W383-I426 HydrophobicContact CH2-CD1 4.42Å; W383-I426 HydrophobicContact CH2-CG2 3.77Å; W383-I426 HydrophobicContact CZ2-CB 4.3Å; W383-I426 HydrophobicContact CZ2-CD1 3.91Å; W383-I426 HydrophobicContact CZ2-CG2 4.06Å; I422-I426 HydrophobicContact CG2-CD1 3.51Å; I422-I426 HydrophobicContact CG2-CG1 4.33Å; I422-I426 WeakPolarHBondContact O-CB 3.41Å; I422-I426 VanDerWaalsContact O-CG1 3.32Å; I422-I426 WeakPolarHBondContact O-CG1 3.36Å; I422-I426 PolarHBondContact O-N 2.97Å; A423-I426 PolarHBondContact O-N 3.32Å; I426-Q428 VanDerWaalsContact C-N 3.33Å; I426-P429 VanDerWaalsContact O-CD 3.28Å; I426-P429 WeakPolarHBondContact O-CD 3.39Å
427M77.8Confident82Confident22 Ų2246.6 Ų46.611%0.10825%0.248CC..Hα-helixtrans-80.9-10.7177.767.8-174.749.700114.1A423 A424 I425 P429 Q430 S431 E434 K438A423-M427 WeakPolarHBondContact O-CE 3.47Å; A423-M427 WeakPolarHBondContact O-CG 3.41Å; A423-M427 PolarHBondContact O-N 2.79Å; A424-M427 VanDerWaalsContact O-CG 3.32Å; A424-M427 WeakPolarHBondContact O-CG 3.47Å; I425-M427 VanDerWaalsContact C-N 3.27Å; I425-M427 PolarHBondContact O-N 3Å; M427-P429 VanDerWaalsContact C-CD 3.43Å; M427-P429 VanDerWaalsContact C-N 3.33Å; M427-Q430 PolarHBondContact O-N 3.26Å; M427-S431 PolarHBondContact O-N 3.47Å; M427-E434 HydrophobicContact SD-CG 4.38Å; M427-K438 HydrophobicContact CE-CD 4.2Å; M427-K438 HydrophobicContact SD-CD 3.71Å; M427-K438 PolarHBondContact SD-NZ 3Å
428Q78.3Confident82.6Confident44 Ų4448.9 Ų48.921%0.20626%0.258CS..THydrogen-bonded Turntrans-50.9-42.2-178.2-167.4-17933.400113.7I425 I426 Q430 P432 E489 M493I425-Q428 WeakPolarHBondContact O-CB 3.35Å; I425-Q428 PolarHBondContact O-N 3.44Å; I425-Q428 VanDerWaalsContact O-N 3.08Å; I426-Q428 VanDerWaalsContact C-N 3.33Å; Q428-Q430 VanDerWaalsContact C-N 3.32Å; Q428-Q430 PolarHBondContact O-N 3.43Å; Q428-P432 WeakPolarHBondContact O-CA 3.49Å; Q428-E489 PolarHBondContact NE2-OE1 3.06Å; Q428-M493 HydrophobicContact CG-CE 4.21Å
429P76Confident83.4Confident103 Ų10346.9 Ų46.967%0.66925%0.249SC*.THydrogen-bonded Turntrans-70.2-24.6177.4-18.733.6000114.2I426 M427I426-P429 VanDerWaalsContact O-CD 3.28Å; I426-P429 WeakPolarHBondContact O-CD 3.39Å; M427-P429 VanDerWaalsContact C-CD 3.43Å; M427-P429 VanDerWaalsContact C-N 3.33Å
430Q76.3Confident84.2Confident145 Ų14547.7 Ų47.768%0.67825%0.253SS*.THydrogen-bonded Turntrans-94.5-39.2-176-65-179.3-9.500112.2M427 Q428M427-Q430 PolarHBondContact O-N 3.26Å; Q428-Q430 VanDerWaalsContact C-N 3.32Å; Q428-Q430 PolarHBondContact O-N 3.43Å
431S83.7Confident84.9Confident38 Ų3848.1 Ų48.127%0.26626%0.257SS..  trans-145.578.1-175.2-169.80000109.5M427 E433 E434 S435M427-S431 PolarHBondContact O-N 3.47Å; S431-E433 VanDerWaalsContact C-N 3.27Å; S431-E433 PolarHBondContact O-N 2.93Å; S431-E434 PolarHBondContact O-N 3.44Å; S431-E434 WeakPolarHBondContact OG-CB 3.24Å; S431-E434 PolarHBondContact OG-OE2 3.31Å; S431-S435 WeakPolarHBondContact O-CB 3.48Å; S431-S435 PolarHBondContact O-N 3.27Å
432P85.7Confident85.3Confident67 Ų6748.3 Ų48.344%0.43526%0.259SS..Hα-helixtrans-65.5-28.3-175.823.9-33.4000113.2Q428 L436 M493Q428-P432 WeakPolarHBondContact O-CA 3.49Å; P432-L436 WeakPolarHBondContact O-CB 3.46Å; P432-L436 PolarHBondContact O-N 2.9Å; P432-M493 WeakPolarHBondContact O-CE 3.46Å
433E89.9Confident86Confident159 Ų15948.6 Ų48.674%0.74326%0.261SS*.Hα-helixtrans-73.7-42.7177.5-64.7-177.7173.400112.1S431 L436 S437S431-E433 VanDerWaalsContact C-N 3.27Å; S431-E433 PolarHBondContact O-N 2.93Å; E433-L436 PolarHBondContact O-N 3.47Å; E433-S437 PolarHBondContact O-N 3Å
434E88.7Confident86.8Confident94 Ų9454.6 Ų54.644%0.43929%0.287SS..Hα-helixtrans-69-39.4175.9-168.2-171160.600111.4M427 S431 L436 S437 K438M427-E434 HydrophobicContact SD-CG 4.38Å; S431-E434 PolarHBondContact O-N 3.44Å; S431-E434 WeakPolarHBondContact OG-CB 3.24Å; S431-E434 PolarHBondContact OG-OE2 3.31Å; E434-L436 VanDerWaalsContact C-N 3.35Å; E434-S437 PolarHBondContact O-N 2.97Å; E434-K438 PolarHBondContact O-N 2.92Å; E434-K438 IonicContact OE1-NZ 2.66Å; E434-K438 PolarHBondContact OE1-NZ 2.91Å
435S87.7Confident87.3Confident0 Ų059.1 Ų59.10%031%0.308CS..Hα-helixtrans-55.1-50.6171.4176.80000110.8A424 S431 S437 K438 I439A424-S435 WeakPolarHBondContact O-CB 3.33Å; A424-S435 PolarHBondContact O-OG 3.34Å; S431-S435 WeakPolarHBondContact O-CB 3.48Å; S431-S435 PolarHBondContact O-N 3.27Å; S435-S437 PolarHBondContact O-N 3.33Å; S435-K438 PolarHBondContact O-N 3.28Å; S435-I439 WeakPolarHBondContact O-CG1 3.42Å; S435-I439 PolarHBondContact O-N 3.05Å
436L92.2Very high87.8Confident12 Ų1259 Ų596%0.06331%0.307CS..Hα-helixtrans-60.1-45.6179.5-177.358.3000111.4P432 E433 E434 K438 I439 E440 M493 Y494P432-L436 WeakPolarHBondContact O-CB 3.46Å; P432-L436 PolarHBondContact O-N 2.9Å; E433-L436 PolarHBondContact O-N 3.47Å; E434-L436 VanDerWaalsContact C-N 3.35Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.34Å; L436-I439 PolarHBondContact O-N 3.36Å; L436-E440 HydrophobicContact CD1-CG 4.2Å; L436-E440 HydrophobicContact CG-CG 4.36Å; L436-E440 WeakPolarHBondContact O-CB 3.4Å; L436-E440 VanDerWaalsContact O-CG 3.3Å; L436-E440 WeakPolarHBondContact O-CG 3.31Å; L436-E440 PolarHBondContact O-N 3.49Å; L436-M493 HydrophobicContact CB-CE 3.58Å; L436-M493 HydrophobicContact CB-SD 4.16Å; L436-M493 HydrophobicContact CD1-CB 4.01Å; L436-M493 HydrophobicContact CD1-CE 4.1Å; L436-M493 HydrophobicContact CD1-CG 4.49Å; L436-M493 HydrophobicContact CD1-SD 3.71Å; L436-M493 HydrophobicContact CG-CE 4.37Å; L436-Y494 HydrophobicContact CD1-CE2 3.94Å; L436-Y494 HydrophobicContact CD2-CE1 4.47Å; L436-Y494 HydrophobicContact CD2-CE2 4.32Å
437S93.6Very high88.6Confident65 Ų6558.3 Ų58.346%0.45531%0.306SS..Hα-helixtrans-61-38.6178.5179.90000112.6E433 E434 S435 T441E433-S437 PolarHBondContact O-N 3Å; E434-S437 PolarHBondContact O-N 2.97Å; S435-S437 PolarHBondContact O-N 3.33Å; S437-T441 WeakPolarHBondContact O-CB 3.21Å; S437-T441 PolarHBondContact O-N 3.45Å; S437-T441 PolarHBondContact O-OG1 2.9Å
438K91Very high89.4Confident74 Ų7461.5 Ų61.532%0.32232%0.324SS..Hα-helixtrans-68.2-42.8174.7-76.5177.8-174.6158.10112.2A424 M427 E434 S435 L436 T441 L442A424-K438 HydrophobicContact CB-CB 3.91Å; M427-K438 HydrophobicContact CE-CD 4.2Å; M427-K438 HydrophobicContact SD-CD 3.71Å; M427-K438 PolarHBondContact SD-NZ 3Å; E434-K438 PolarHBondContact O-N 2.92Å; E434-K438 IonicContact OE1-NZ 2.66Å; E434-K438 PolarHBondContact OE1-NZ 2.91Å; S435-K438 PolarHBondContact O-N 3.28Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.34Å; K438-T441 WeakPolarHBondContact O-CB 3.49Å; K438-T441 PolarHBondContact O-N 3.46Å; K438-L442 WeakPolarHBondContact O-CG 3.34Å; K438-L442 PolarHBondContact O-N 3.35Å
439I92.6Very high90.1Very high0 Ų062 Ų620%033%0.327CS..Hα-helixtrans-60.7-46.7174.8-69-61.6000110.4F421 A424 I425 S435 L436 T441 L442 V443 V486 E489 Q490 M493F421-I439 HydrophobicContact CD2-CD1 3.87Å; F421-I439 HydrophobicContact CE2-CD1 3.95Å; A424-I439 HydrophobicContact CB-CD1 3.66Å; A424-I439 HydrophobicContact CB-CG1 3.96Å; I425-I439 HydrophobicContact CD1-CD1 4.3Å; S435-I439 WeakPolarHBondContact O-CG1 3.42Å; S435-I439 PolarHBondContact O-N 3.05Å; L436-I439 PolarHBondContact O-N 3.36Å; I439-T441 VanDerWaalsContact C-N 3.32Å; I439-T441 PolarHBondContact O-N 3.11Å; I439-L442 WeakPolarHBondContact O-CB 3.41Å; I439-L442 PolarHBondContact O-N 3.05Å; I439-L442 VanDerWaalsContact O-N 3.11Å; I439-V443 WeakPolarHBondContact O-CG2 3.41Å; I439-V443 PolarHBondContact O-N 3.38Å; I439-V486 HydrophobicContact CD1-CG1 4.26Å; I439-V486 HydrophobicContact CG2-CG1 3.88Å; I439-V486 WeakPolarHBondContact O-CG1 3.4Å; I439-E489 HydrophobicContact CD1-CG 4.49Å; I439-Q490 HydrophobicContact CG2-CB 3.68Å; I439-Q490 HydrophobicContact CG2-CG 4.24Å; I439-M493 HydrophobicContact CG1-SD 4.3Å
440E94.6Very high90.9Very high62 Ų6257.1 Ų57.129%0.2930%0.296SS..Hα-helixtrans-58.5-42.8176.5-73.7177.7160.500111.9L436 L442 V443 E444 Q490 Y494L436-E440 HydrophobicContact CD1-CG 4.2Å; L436-E440 HydrophobicContact CG-CG 4.36Å; L436-E440 WeakPolarHBondContact O-CB 3.4Å; L436-E440 VanDerWaalsContact O-CG 3.3Å; L436-E440 WeakPolarHBondContact O-CG 3.31Å; L436-E440 PolarHBondContact O-N 3.49Å; E440-L442 VanDerWaalsContact C-N 3.34Å; E440-L442 PolarHBondContact O-N 3.4Å; E440-V443 PolarHBondContact O-N 3.04Å; E440-E444 PolarHBondContact O-N 3.36Å; E440-Q490 HydrophobicContact CG-CG 4.26Å; E440-Y494 PolarHBondContact OE1-OH 2.86Å
441T94.5Very high91.7Very high58 Ų5855.1 Ų55.136%0.35629%0.286SS..Hα-helixtrans-61.8-41.2175.3-56.80000111.8S437 K438 I439 E444 Q445S437-T441 WeakPolarHBondContact O-CB 3.21Å; S437-T441 PolarHBondContact O-N 3.45Å; S437-T441 PolarHBondContact O-OG1 2.9Å; K438-T441 WeakPolarHBondContact O-CB 3.49Å; K438-T441 PolarHBondContact O-N 3.46Å; I439-T441 VanDerWaalsContact C-N 3.32Å; I439-T441 PolarHBondContact O-N 3.11Å; T441-E444 PolarHBondContact O-N 2.92Å; T441-Q445 WeakPolarHBondContact O-CB 3.5Å; T441-Q445 VanDerWaalsContact O-CG 3.26Å; T441-Q445 WeakPolarHBondContact O-CG 3.14Å; T441-Q445 PolarHBondContact O-N 3.36Å
442L93.1Very high92.2Very high7 Ų760 Ų604%0.03730%0.299CS..Hα-helixtrans-67.2-37.9177.5-73.3169.7000112Y417 D420 F421 K438 I439 E440 Q446 V486Y417-L442 HydrophobicContact CD2-CD2 4.21Å; D420-L442 HydrophobicContact CB-CD1 4.39Å; D420-L442 HydrophobicContact CB-CD2 4.01Å; F421-L442 HydrophobicContact CB-CD1 4.17Å; F421-L442 HydrophobicContact CD2-CD1 4.48Å; K438-L442 WeakPolarHBondContact O-CG 3.34Å; K438-L442 PolarHBondContact O-N 3.35Å; I439-L442 WeakPolarHBondContact O-CB 3.41Å; I439-L442 PolarHBondContact O-N 3.05Å; I439-L442 VanDerWaalsContact O-N 3.11Å; E440-L442 VanDerWaalsContact C-N 3.34Å; E440-L442 PolarHBondContact O-N 3.4Å; L442-Q446 WeakPolarHBondContact O-CB 3.25Å; L442-Q446 WeakPolarHBondContact O-CG 3.32Å; L442-Q446 PolarHBondContact O-N 3.44Å; L442-V486 HydrophobicContact CB-CG1 3.68Å; L442-V486 HydrophobicContact CB-CG2 4.47Å
443V94.5Very high92.5Very high15 Ų1557.6 Ų57.69%0.09128%0.282CS..Hα-helixtrans-62.6-47.5174.4175.10000110.7I439 E440 Q446 G447 Y483 V486 L487 Q490I439-V443 WeakPolarHBondContact O-CG2 3.41Å; I439-V443 PolarHBondContact O-N 3.38Å; E440-V443 PolarHBondContact O-N 3.04Å; V443-Q446 PolarHBondContact O-N 3.49Å; V443-G447 PolarHBondContact O-N 3.46Å; V443-Y483 HydrophobicContact CG1-CE2 3.76Å; V443-V486 HydrophobicContact CG2-CB 3.98Å; V443-V486 HydrophobicContact CG2-CG1 3.5Å; V443-L487 HydrophobicContact CG1-CD1 4.41Å; V443-Q490 HydrophobicContact CG2-CB 4.24Å
444E94.6Very high92.5Very high139 Ų13953.7 Ų53.765%0.6526%0.264SS*.Hα-helixtrans-58.6-50.5176.1-92.9-176.8161.400111.5E440 T441 Q446 G447 D448E440-E444 PolarHBondContact O-N 3.36Å; T441-E444 PolarHBondContact O-N 2.92Å; E444-Q446 VanDerWaalsContact C-N 3.34Å; E444-Q446 PolarHBondContact O-N 2.93Å; E444-G447 PolarHBondContact O-N 3.35Å; E444-D448 PolarHBondContact O-N 3.36Å
445Q92.9Very high92.6Very high95 Ų9554.7 Ų54.744%0.44427%0.269SS..Hα-helixtrans-59.5-42.8-178.3-74.2174.85.900112.9T441 I449T441-Q445 WeakPolarHBondContact O-CB 3.5Å; T441-Q445 VanDerWaalsContact O-CG 3.26Å; T441-Q445 WeakPolarHBondContact O-CG 3.14Å; T441-Q445 PolarHBondContact O-N 3.36Å; Q445-I449 WeakPolarHBondContact O-CG1 3.34Å; Q445-I449 PolarHBondContact O-N 3.2Å
446Q91.4Very high92.7Very high15 Ų1559.6 Ų59.67%0.0729%0.291CS..Hα-helixtrans-73.7-34.8178-68.9-57.6-33.600111.9Y417 L442 V443 E444 I449 L450 Y483Y417-Q446 HydrophobicContact CD2-CG 4.07Å; Y417-Q446 VanDerWaalsContact CD2-NE2 3.31Å; Y417-Q446 HydrophobicContact CE2-CG 3.77Å; L442-Q446 WeakPolarHBondContact O-CB 3.25Å; L442-Q446 WeakPolarHBondContact O-CG 3.32Å; L442-Q446 PolarHBondContact O-N 3.44Å; V443-Q446 PolarHBondContact O-N 3.49Å; E444-Q446 VanDerWaalsContact C-N 3.34Å; E444-Q446 PolarHBondContact O-N 2.93Å; Q446-I449 PolarHBondContact O-N 2.88Å; Q446-L450 PolarHBondContact O-N 2.76Å; Q446-Y483 HydrophobicContact CB-CD2 3.75Å; Q446-Y483 HydrophobicContact CB-CG 4.49Å
447G92.8Very high92.5Very high11 Ų1161.3 Ų61.311%0.11330%0.3CS..Hα-helixtrans-59.5-45.217200000112.3V443 E444 I449 L450 Q451V443-G447 PolarHBondContact O-N 3.46Å; E444-G447 PolarHBondContact O-N 3.35Å; G447-I449 VanDerWaalsContact C-N 3.27Å; G447-I449 PolarHBondContact O-N 3.29Å; G447-L450 PolarHBondContact O-N 2.88Å; G447-Q451 PolarHBondContact O-N 2.9Å
448D94Very high92.2Very high89 Ų8961 Ų6148%0.47630%0.299SS..Hα-helixtrans-63.2-32.7176.1-73.4-13.6000112.7E444 R452E444-D448 PolarHBondContact O-N 3.36Å; D448-R452 WeakPolarHBondContact O-CB 3.3Å; D448-R452 VanDerWaalsContact O-CG 3.31Å; D448-R452 WeakPolarHBondContact O-CG 3.35Å; D448-R452 PolarHBondContact O-N 3.32Å; D448-R452 PolarHBondContact O-NE 3.17Å
449I92.3Very high91.9Very high55 Ų5560.4 Ų60.428%0.28231%0.307SS..Hα-helixtrans-69.5-46.7174.5-69165.7000109.8Q445 Q446 G447 R452 L453 A479Q445-I449 WeakPolarHBondContact O-CG1 3.34Å; Q445-I449 PolarHBondContact O-N 3.2Å; Q446-I449 PolarHBondContact O-N 2.88Å; G447-I449 VanDerWaalsContact C-N 3.27Å; G447-I449 PolarHBondContact O-N 3.29Å; I449-R452 PolarHBondContact O-N 3.08Å; I449-L453 HydrophobicContact CG2-CD1 3.77Å; I449-L453 HydrophobicContact CG2-CG 4.43Å; I449-L453 WeakPolarHBondContact O-CG 3.35Å; I449-L453 PolarHBondContact O-N 2.71Å; I449-A479 HydrophobicContact CG2-CB 4Å
450L93.5Very high91.5Very high0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-60.6-47.2178.9-77.1172.3000112.1Q446 G447 R452 L453 E454 Y476 A479 L480 Y483 F513Q446-L450 PolarHBondContact O-N 2.76Å; G447-L450 PolarHBondContact O-N 2.88Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 3.04Å; L450-L453 PolarHBondContact O-N 2.96Å; L450-L453 VanDerWaalsContact O-N 3.15Å; L450-E454 WeakPolarHBondContact O-CB 3.48Å; L450-E454 PolarHBondContact O-N 3.36Å; L450-Y476 HydrophobicContact CB-CE2 4.42Å; L450-Y476 HydrophobicContact CD2-CD2 3.93Å; L450-Y476 HydrophobicContact CD2-CE2 3.71Å; L450-Y476 HydrophobicContact CD2-CG 4.46Å; L450-A479 HydrophobicContact CD2-CB 3.88Å; L450-A479 HydrophobicContact CG-CB 4.41Å; L450-L480 HydrophobicContact CD1-CD1 3.89Å; L450-L480 HydrophobicContact CD2-CB 4.01Å; L450-L480 HydrophobicContact CD2-CD1 4.27Å; L450-Y483 HydrophobicContact CD1-CD1 3.74Å; L450-Y483 HydrophobicContact CD1-CD2 4.04Å; L450-Y483 HydrophobicContact CD1-CE1 4.39Å; L450-Y483 HydrophobicContact CD1-CG 3.53Å; L450-F513 HydrophobicContact CB-CD1 4.48Å; L450-F513 HydrophobicContact CB-CE1 4.31Å; L450-F513 HydrophobicContact CB-CZ 4.36Å; L450-F513 HydrophobicContact CD1-CB 4.39Å; L450-F513 HydrophobicContact CD1-CD2 4.15Å; L450-F513 HydrophobicContact CD1-CG 4.17Å
451Q93.5Very high90.6Very high102 Ų10264.1 Ų64.148%0.47733%0.326SS..Hα-helixtrans-60.6-44.3179.6-171.3174.14.700111.6G447 L453 E454 E455G447-Q451 PolarHBondContact O-N 2.9Å; Q451-L453 VanDerWaalsContact C-N 3.34Å; Q451-L453 PolarHBondContact O-N 3.47Å; Q451-E454 PolarHBondContact O-N 2.93Å; Q451-E455 WeakPolarHBondContact O-CG 3.48Å; Q451-E455 PolarHBondContact O-N 2.81Å
452R94.1Very high89.7Confident140 Ų14069.8 Ų69.853%0.52835%0.349SS..Hα-helixtrans-62.4-39.4175.5-77.1-178.3-72.2161.5-7112.7D448 I449 L450 Q456D448-R452 WeakPolarHBondContact O-CB 3.3Å; D448-R452 VanDerWaalsContact O-CG 3.31Å; D448-R452 WeakPolarHBondContact O-CG 3.35Å; D448-R452 PolarHBondContact O-N 3.32Å; D448-R452 PolarHBondContact O-NE 3.17Å; I449-R452 PolarHBondContact O-N 3.08Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 3.04Å; R452-Q456 VanDerWaalsContact O-CG 3.29Å; R452-Q456 WeakPolarHBondContact O-CG 3.46Å; R452-Q456 PolarHBondContact O-N 3.21Å; R452-Q456 VanDerWaalsContact O-N 3.08Å
453L91.9Very high88.5Confident17 Ų1771.9 Ų71.99%0.08937%0.367CS..Hα-helixtrans-70.4-35.2178.3-72.9170.5000111.8I449 L450 Q451 Q456 L457 T475 Y476 A479I449-L453 HydrophobicContact CG2-CD1 3.77Å; I449-L453 HydrophobicContact CG2-CG 4.43Å; I449-L453 WeakPolarHBondContact O-CG 3.35Å; I449-L453 PolarHBondContact O-N 2.71Å; L450-L453 PolarHBondContact O-N 2.96Å; L450-L453 VanDerWaalsContact O-N 3.15Å; Q451-L453 VanDerWaalsContact C-N 3.34Å; Q451-L453 PolarHBondContact O-N 3.47Å; L453-Q456 PolarHBondContact O-N 2.98Å; L453-L457 WeakPolarHBondContact O-CB 3.48Å; L453-L457 PolarHBondContact O-N 3.27Å; L453-T475 HydrophobicContact CD1-CG2 4.09Å; L453-T475 HydrophobicContact CD2-CG2 4.07Å; L453-Y476 HydrophobicContact CB-CD2 3.83Å; L453-A479 HydrophobicContact CD1-CB 3.94Å
454E89.9Confident87.5Confident77 Ų7779.2 Ų79.236%0.3641%0.406SS..Hα-helixtrans-67.5-40.2175.2-169.7172.8-174.700112.3L450 Q451 Q456 L457 S458 Y476 F513L450-E454 WeakPolarHBondContact O-CB 3.48Å; L450-E454 PolarHBondContact O-N 3.36Å; Q451-E454 PolarHBondContact O-N 2.93Å; E454-Q456 VanDerWaalsContact C-N 3.34Å; E454-L457 PolarHBondContact O-N 3.13Å; E454-S458 WeakPolarHBondContact O-CB 3.46Å; E454-S458 PolarHBondContact O-N 3.45Å; E454-S458 PolarHBondContact O-OG 3Å; E454-Y476 HydrophobicContact CB-CE2 4.1Å; E454-F513 WeakPolarHBondContact OE2-CE1 3.44Å
455E90.9Very high86.8Confident116 Ų11676.4 Ų76.454%0.54240%0.396SS..Hα-helixtrans-60-44.3171.1-73.2174.4-176.100111.3Q451 S458 A459Q451-E455 WeakPolarHBondContact O-CG 3.48Å; Q451-E455 PolarHBondContact O-N 2.81Å; E455-S458 PolarHBondContact O-N 3.09Å; E455-A459 WeakPolarHBondContact O-CB 3.37Å; E455-A459 PolarHBondContact O-N 3.16Å
456Q90Very high86.3Confident102 Ų10279.7 Ų79.748%0.47741%0.411SS..Hα-helixtrans-64.3-40.2175.9-73.4175.717.100112.3R452 L453 E454 A459 A460 I472R452-Q456 VanDerWaalsContact O-CG 3.29Å; R452-Q456 WeakPolarHBondContact O-CG 3.46Å; R452-Q456 PolarHBondContact O-N 3.21Å; R452-Q456 VanDerWaalsContact O-N 3.08Å; L453-Q456 PolarHBondContact O-N 2.98Å; E454-Q456 VanDerWaalsContact C-N 3.34Å; Q456-A459 PolarHBondContact O-N 3.31Å; Q456-A460 VanDerWaalsContact O-CB 3.25Å; Q456-A460 WeakPolarHBondContact O-CB 3.49Å; Q456-A460 PolarHBondContact O-N 3.27Å; Q456-I472 HydrophobicContact CB-CD1 4.37Å; Q456-I472 HydrophobicContact CB-CG2 4.18Å
457L87Confident85.9Confident48 Ų4885.4 Ų85.425%0.25144%0.442SS..Hα-helixtrans-63.9-44.3177.4-162.285.6000111L453 E454 A460 Q461 I472 A473L453-L457 WeakPolarHBondContact O-CB 3.48Å; L453-L457 PolarHBondContact O-N 3.27Å; E454-L457 PolarHBondContact O-N 3.13Å; L457-A460 PolarHBondContact O-N 3.04Å; L457-Q461 WeakPolarHBondContact O-CG 3.48Å; L457-Q461 PolarHBondContact O-N 3.46Å; L457-I472 HydrophobicContact CB-CG2 4.19Å; L457-I472 HydrophobicContact CD1-CB 4.22Å; L457-I472 HydrophobicContact CD1-CG2 3.83Å; L457-A473 HydrophobicContact CD1-CB 3.88Å
458S86.3Confident85.5Confident60 Ų6088.2 Ų88.242%0.4246%0.457SS..Hα-helixtrans-65-40.1177.6-60.80000112.1E454 E455 Q461E454-S458 WeakPolarHBondContact O-CB 3.46Å; E454-S458 PolarHBondContact O-N 3.45Å; E454-S458 PolarHBondContact O-OG 3Å; E455-S458 PolarHBondContact O-N 3.09Å; S458-Q461 WeakPolarHBondContact O-CB 3.26Å; S458-Q461 PolarHBondContact O-N 3.05Å
459A86.5Confident85Confident61 Ų6187.6 Ų87.650%0.50445%0.448SS..Hα-helixtrans-66.5-40.317300000111.7E455 Q456 Q461 Q462E455-A459 WeakPolarHBondContact O-CB 3.37Å; E455-A459 PolarHBondContact O-N 3.16Å; Q456-A459 PolarHBondContact O-N 3.31Å; A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.22Å; A459-Q462 WeakPolarHBondContact O-CB 3.11Å; A459-Q462 PolarHBondContact O-N 2.87Å
460A83.3Confident84.8Confident10 Ų1088 Ų888%0.08346%0.455CS..Hα-helixtrans-65.9-2817800000112.3Q456 L457 Q462 A463 R469 I472Q456-A460 VanDerWaalsContact O-CB 3.25Å; Q456-A460 WeakPolarHBondContact O-CB 3.49Å; Q456-A460 PolarHBondContact O-N 3.27Å; L457-A460 PolarHBondContact O-N 3.04Å; A460-Q462 PolarHBondContact O-N 3.06Å; A460-Q462 VanDerWaalsContact O-N 3.11Å; A460-A463 CarbonylContact O-C 3.59Å; A460-A463 PolarHBondContact O-N 3.25Å; A460-R469 HydrophobicContact CB-CG 3.78Å; A460-R469 VanDerWaalsContact O-CZ 3.24Å; A460-R469 PolarHBondContact O-NE 3.36Å; A460-R469 PolarHBondContact O-NH2 3.05Å; A460-I472 HydrophobicContact CB-CD1 4.04Å
461Q76.6Confident84.4Confident129 Ų12994.9 Ų94.960%0.60349%0.485SS*.THydrogen-bonded Turntrans-58.7-21171.3-73.9178.2-4.100113.6L457 S458 A459 R469L457-Q461 WeakPolarHBondContact O-CG 3.48Å; L457-Q461 PolarHBondContact O-N 3.46Å; S458-Q461 WeakPolarHBondContact O-CB 3.26Å; S458-Q461 PolarHBondContact O-N 3.05Å; A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.22Å; Q461-R469 PolarHBondContact O-NH2 2.65Å
462Q74.7Confident84.1Confident177 Ų17791.2 Ų91.283%0.82747%0.469SS*.THydrogen-bonded Turntrans-88.3-21.4174.6-56.1-178.14.600112.6A459 A460A459-Q462 WeakPolarHBondContact O-CB 3.11Å; A459-Q462 PolarHBondContact O-N 2.87Å; A460-Q462 PolarHBondContact O-N 3.06Å; A460-Q462 VanDerWaalsContact O-N 3.11Å
463A68Low83.8Confident52 Ų5286.1 Ų86.143%0.4346%0.457SS..SBendtrans-94.6127.4177.800000111.1A460 D465 R469A460-A463 CarbonylContact O-C 3.59Å; A460-A463 PolarHBondContact O-N 3.25Å; A463-D465 PolarHBondContact O-N 3.06Å; A463-R469 VanDerWaalsContact O-CZ 3.23Å; A463-R469 PolarHBondContact O-NE 2.79Å; A463-R469 PolarHBondContact O-NH2 3.43Å
464N73.9Confident83.5Confident169 Ų16989.4 Ų89.490%0.90447%0.471SS*.  trans-71.523.6-175-94.7-4.3000115.6
465D78.7Confident83.4Confident80 Ų8088.6 Ų88.643%0.42847%0.472SS..  trans-101.298.8-177.2-159.3-30.3000111A463 D467 V468 R469A463-D465 PolarHBondContact O-N 3.06Å; D465-D467 PolarHBondContact OD1-N 3.47Å; D465-V468 HydrophobicContact CB-CB 4.18Å; D465-V468 HydrophobicContact CB-CG2 4.09Å; D465-V468 PolarHBondContact OD1-N 2.74Å; D465-R469 WeakPolarHBondContact O-CG 3.34Å; D465-R469 PolarHBondContact O-N 3.46Å
466E83.6Confident83.4Confident163 Ų16384.5 Ų84.576%0.76245%0.452SS*.Hα-helixtrans-67.3-34-176.3-166.6168.5-170.800112.5R469 S470E466-R469 PolarHBondContact O-N 2.9Å; E466-S470 WeakPolarHBondContact O-CB 2.96Å; E466-S470 PolarHBondContact O-N 3.01Å
467D83.4Confident83.3Confident135 Ų13583.5 Ų83.572%0.72245%0.449SS*.Hα-helixtrans-67.7-43.1179.2-79.3-17000111D465 S470 K471D465-D467 PolarHBondContact OD1-N 3.47Å; D467-S470 PolarHBondContact O-N 3.43Å; D467-K471 PolarHBondContact O-N 3.24Å
468V83.5Confident83.2Confident70 Ų7085.5 Ų85.542%0.42446%0.458SS..Hα-helixtrans-63.5-43.4176.5176.10000110.6D465 S470 K471 I472D465-V468 HydrophobicContact CB-CB 4.18Å; D465-V468 HydrophobicContact CB-CG2 4.09Å; D465-V468 PolarHBondContact OD1-N 2.74Å; V468-S470 PolarHBondContact O-N 3.36Å; V468-K471 PolarHBondContact O-N 3.39Å; V468-I472 HydrophobicContact CG1-CD1 3.78Å; V468-I472 HydrophobicContact CG1-CG1 4.45Å; V468-I472 WeakPolarHBondContact O-CG1 3.46Å; V468-I472 PolarHBondContact O-N 3.17Å
469R84.3Confident83.4Confident76 Ų7683 Ų8329%0.28744%0.441SS..Hα-helixtrans-60-46.7176.7-71.8172.6-172.8-163.41.4111.9A460 Q461 A463 D465 E466 K471 I472 A473A460-R469 HydrophobicContact CB-CG 3.78Å; A460-R469 VanDerWaalsContact O-CZ 3.24Å; A460-R469 PolarHBondContact O-NE 3.36Å; A460-R469 PolarHBondContact O-NH2 3.05Å; Q461-R469 PolarHBondContact O-NH2 2.65Å; A463-R469 VanDerWaalsContact O-CZ 3.23Å; A463-R469 PolarHBondContact O-NE 2.79Å; A463-R469 PolarHBondContact O-NH2 3.43Å; D465-R469 WeakPolarHBondContact O-CG 3.34Å; D465-R469 PolarHBondContact O-N 3.46Å; E466-R469 PolarHBondContact O-N 2.9Å; R469-K471 VanDerWaalsContact C-N 3.32Å; R469-K471 PolarHBondContact O-N 2.9Å; R469-I472 PolarHBondContact O-N 3.29Å; R469-A473 WeakPolarHBondContact O-CB 3.32Å; R469-A473 PolarHBondContact O-N 3.01Å
470S86.4Confident83.4Confident64 Ų6480.4 Ų80.445%0.44842%0.418SS..Hα-helixtrans-58.7-45.2178.9-172.10000111.2E466 D467 V468 I472 A473 E474E466-S470 WeakPolarHBondContact O-CB 2.96Å; E466-S470 PolarHBondContact O-N 3.01Å; D467-S470 PolarHBondContact O-N 3.43Å; V468-S470 PolarHBondContact O-N 3.36Å; S470-I472 PolarHBondContact O-N 3.44Å; S470-A473 PolarHBondContact O-N 3.04Å; S470-E474 PolarHBondContact O-N 3.41Å
471K86.1Confident83.4Confident144 Ų14486.6 Ų86.663%0.62645%0.445SS*.Hα-helixtrans-65.8-39.8179.9-165166.5-173166.90113.3D467 V468 R469 T475D467-K471 PolarHBondContact O-N 3.24Å; V468-K471 PolarHBondContact O-N 3.39Å; R469-K471 VanDerWaalsContact C-N 3.32Å; R469-K471 PolarHBondContact O-N 2.9Å; K471-T475 PolarHBondContact O-N 2.99Å; K471-T475 VanDerWaalsContact O-N 3.1Å; K471-T475 PolarHBondContact O-OG1 3.33Å
472I87.1Confident83.8Confident26 Ų2683.1 Ų83.113%0.13343%0.431CS..Hα-helixtrans-65.7-44.2174.8-64.9165.8000110Q456 L457 A460 V468 R469 S470 E474 T475 Y476Q456-I472 HydrophobicContact CB-CD1 4.37Å; Q456-I472 HydrophobicContact CB-CG2 4.18Å; L457-I472 HydrophobicContact CB-CG2 4.19Å; L457-I472 HydrophobicContact CD1-CB 4.22Å; L457-I472 HydrophobicContact CD1-CG2 3.83Å; A460-I472 HydrophobicContact CB-CD1 4.04Å; V468-I472 HydrophobicContact CG1-CD1 3.78Å; V468-I472 HydrophobicContact CG1-CG1 4.45Å; V468-I472 WeakPolarHBondContact O-CG1 3.46Å; V468-I472 PolarHBondContact O-N 3.17Å; R469-I472 PolarHBondContact O-N 3.29Å; S470-I472 PolarHBondContact O-N 3.44Å; I472-E474 VanDerWaalsContact C-N 3.34Å; I472-E474 PolarHBondContact O-N 3.18Å; I472-T475 PolarHBondContact O-N 3.17Å; I472-Y476 WeakPolarHBondContact O-CB 3.29Å; I472-Y476 PolarHBondContact O-N 3.15Å
473A87.9Confident84.6Confident33 Ų3375.2 Ų75.227%0.27339%0.393SS..Hα-helixtrans-61.2-40.7177.900000112.4L457 R469 S470 Y476 N477L457-A473 HydrophobicContact CD1-CB 3.88Å; R469-A473 WeakPolarHBondContact O-CB 3.32Å; R469-A473 PolarHBondContact O-N 3.01Å; S470-A473 PolarHBondContact O-N 3.04Å; A473-Y476 PolarHBondContact O-N 3.05Å; A473-N477 PolarHBondContact O-N 2.9Å; A473-N477 PolarHBondContact O-ND2 2.93Å
474E86Confident85.5Confident85 Ų8573.1 Ų73.140%0.39738%0.375SS..Hα-helixtrans-61.5-46.5173-77.9-169.9-160.200112.1K216 S470 I472 Y476 N477 E478K216-E474 IonicContact NZ-OE2 2.68Å; K216-E474 PolarHBondContact NZ-OE2 3.02Å; K216-E474 VanDerWaalsContact NZ-OE2 3.12Å; S470-E474 PolarHBondContact O-N 3.41Å; I472-E474 VanDerWaalsContact C-N 3.34Å; I472-E474 PolarHBondContact O-N 3.18Å; E474-Y476 VanDerWaalsContact C-N 3.28Å; E474-Y476 PolarHBondContact O-N 2.98Å; E474-N477 PolarHBondContact O-N 3.28Å; E474-E478 PolarHBondContact O-N 3.08Å
475T88.1Confident86.1Confident60 Ų6065.9 Ų65.937%0.36834%0.337SS..Hα-helixtrans-63.1-37.9179.9-49.40000111.2L453 K471 I472 E478 A479L453-T475 HydrophobicContact CD1-CG2 4.09Å; L453-T475 HydrophobicContact CD2-CG2 4.07Å; K471-T475 PolarHBondContact O-N 2.99Å; K471-T475 VanDerWaalsContact O-N 3.1Å; K471-T475 PolarHBondContact O-OG1 3.33Å; I472-T475 PolarHBondContact O-N 3.17Å; T475-E478 PolarHBondContact O-N 2.8Å; T475-A479 PolarHBondContact O-N 3.41Å
476Y91.2Very high86.6Confident31 Ų3162 Ų6212%0.12232%0.317CS..Hα-helixtrans-61.3-47.1173.6-179.9-90.1000111.8L450 L453 E454 I472 A473 E474 E478 A479 L480L450-Y476 HydrophobicContact CB-CE2 4.42Å; L450-Y476 HydrophobicContact CD2-CD2 3.93Å; L450-Y476 HydrophobicContact CD2-CE2 3.71Å; L450-Y476 HydrophobicContact CD2-CG 4.46Å; L453-Y476 HydrophobicContact CB-CD2 3.83Å; E454-Y476 HydrophobicContact CB-CE2 4.1Å; I472-Y476 WeakPolarHBondContact O-CB 3.29Å; I472-Y476 PolarHBondContact O-N 3.15Å; A473-Y476 PolarHBondContact O-N 3.05Å; E474-Y476 VanDerWaalsContact C-N 3.28Å; E474-Y476 PolarHBondContact O-N 2.98Å; Y476-E478 VanDerWaalsContact C-N 3.33Å; Y476-E478 PolarHBondContact O-N 3.15Å; Y476-A479 PolarHBondContact O-N 2.85Å; Y476-L480 HydrophobicContact CE1-CD2 3.94Å; Y476-L480 WeakPolarHBondContact O-CB 3.2Å; Y476-L480 PolarHBondContact O-N 3.4Å
477N87.3Confident87.1Confident80 Ų8054.4 Ų54.443%0.42828%0.281SS..Hα-helixtrans-63.2-37.4177.7-74.1-45.1000112.6A473 E474 L480 Q481A473-N477 PolarHBondContact O-N 2.9Å; A473-N477 PolarHBondContact O-ND2 2.93Å; E474-N477 PolarHBondContact O-N 3.28Å; N477-L480 PolarHBondContact O-N 3.25Å; N477-Q481 WeakPolarHBondContact O-CG 3.48Å; N477-Q481 PolarHBondContact O-N 3.24Å
478E84.8Confident87.3Confident91 Ų9148 Ų4843%0.42525%0.246SC..Hα-helixtrans-64.7-47.1174.1-71.8-178.6161.400112.1K216 E474 T475 Y476 L480 Q481 L482K216-E478 WeakPolarHBondContact CE-OE1 3.41Å; K216-E478 IonicContact NZ-OE1 2.79Å; K216-E478 PolarHBondContact NZ-OE1 3.08Å; E474-E478 PolarHBondContact O-N 3.08Å; T475-E478 PolarHBondContact O-N 2.8Å; Y476-E478 VanDerWaalsContact C-N 3.33Å; Y476-E478 PolarHBondContact O-N 3.15Å; E478-L480 PolarHBondContact O-N 3.12Å; E478-Q481 PolarHBondContact O-N 2.82Å; E478-L482 PolarHBondContact O-N 3.49Å
479A89.1Confident87.6Confident8 Ų845 Ų457%0.06623%0.228CC..Hα-helixtrans-59.2-37.8175.900000111.4I449 L450 L453 T475 Y476 Q481 L482 Y483I449-A479 HydrophobicContact CG2-CB 4Å; L450-A479 HydrophobicContact CD2-CB 3.88Å; L450-A479 HydrophobicContact CG-CB 4.41Å; L453-A479 HydrophobicContact CD1-CB 3.94Å; T475-A479 PolarHBondContact O-N 3.41Å; Y476-A479 PolarHBondContact O-N 2.85Å; A479-Q481 PolarHBondContact O-N 2.77Å; A479-L482 CarbonylContact O-C 3.46Å; A479-L482 PolarHBondContact O-N 3.48Å; A479-L482 VanDerWaalsContact O-N 3.13Å; A479-Y483 PolarHBondContact O-N 3.42Å
480L88.3Confident88Confident5 Ų542.4 Ų42.43%0.02622%0.219CC..Hα-helixtrans-67.3-36.5178.4-167.954.7000112.4L450 Y476 N477 E478 L482 Y483 L484 F513 Y517L450-L480 HydrophobicContact CD1-CD1 3.89Å; L450-L480 HydrophobicContact CD2-CB 4.01Å; L450-L480 HydrophobicContact CD2-CD1 4.27Å; Y476-L480 HydrophobicContact CE1-CD2 3.94Å; Y476-L480 WeakPolarHBondContact O-CB 3.2Å; Y476-L480 PolarHBondContact O-N 3.4Å; N477-L480 PolarHBondContact O-N 3.25Å; E478-L480 PolarHBondContact O-N 3.12Å; L480-L482 PolarHBondContact O-N 3.03Å; L480-Y483 HydrophobicContact CD1-CD1 4.27Å; L480-Y483 PolarHBondContact O-N 3.17Å; L480-L484 PolarHBondContact O-N 3.48Å; L480-F513 HydrophobicContact CD1-CB 4.03Å; L480-Y517 HydrophobicContact CD2-CE2 3.61Å; L480-Y517 VanDerWaalsContact CD2-OH 3.27Å; L480-Y517 WeakPolarHBondContact CD2-OH 3.5Å; L480-Y517 HydrophobicContact CG-CE2 4.05Å
481Q82.9Confident88.3Confident140 Ų14039.4 Ų39.465%0.65420%0.198SC*.Hα-helixtrans-65-25.9172.5-73-171.25.300113.1N477 E478 A479 P485N477-Q481 WeakPolarHBondContact O-CG 3.48Å; N477-Q481 PolarHBondContact O-N 3.24Å; E478-Q481 PolarHBondContact O-N 2.82Å; A479-Q481 PolarHBondContact O-N 2.77Å; Q481-P485 WeakPolarHBondContact O-CD 3.33Å; Q481-P485 WeakPolarHBondContact O-CG 3.47Å
482L84.9Confident88.5Confident56 Ų5634.2 Ų34.229%0.29318%0.176SC..Hα-helixtrans-84.4-33.2171.8-57179.6000111.9Y417 E478 A479 L480Y417-L482 HydrophobicContact CD1-CB 4.35Å; Y417-L482 HydrophobicContact CD1-CD1 4.19Å; Y417-L482 HydrophobicContact CD1-CD2 3.88Å; Y417-L482 HydrophobicContact CD1-CG 4.36Å; Y417-L482 HydrophobicContact CE1-CB 3.91Å; Y417-L482 HydrophobicContact CE1-CD2 3.66Å; Y417-L482 HydrophobicContact CE1-CG 4.22Å; Y417-L482 HydrophobicContact CE2-CB 4.25Å; Y417-L482 HydrophobicContact CG-CD1 4.48Å; Y417-L482 PolarHBondContact OH-O 3.38Å; E478-L482 PolarHBondContact O-N 3.49Å; A479-L482 CarbonylContact O-C 3.46Å; A479-L482 PolarHBondContact O-N 3.48Å; A479-L482 VanDerWaalsContact O-N 3.13Å; L480-L482 PolarHBondContact O-N 3.03Å
483Y90.9Very high88.6Confident12 Ų1233.4 Ų33.45%0.04717%0.171CC..Hα-helixtrans-67.8-44.5179.9179.6-109.4000112.5V443 Q446 L450 A479 L480 V486 L487 F513V443-Y483 HydrophobicContact CG1-CE2 3.76Å; Q446-Y483 HydrophobicContact CB-CD2 3.75Å; Q446-Y483 HydrophobicContact CB-CG 4.49Å; L450-Y483 HydrophobicContact CD1-CD1 3.74Å; L450-Y483 HydrophobicContact CD1-CD2 4.04Å; L450-Y483 HydrophobicContact CD1-CE1 4.39Å; L450-Y483 HydrophobicContact CD1-CG 3.53Å; A479-Y483 PolarHBondContact O-N 3.42Å; L480-Y483 HydrophobicContact CD1-CD1 4.27Å; L480-Y483 PolarHBondContact O-N 3.17Å; Y483-V486 PolarHBondContact O-N 3.18Å; Y483-L487 HydrophobicContact CE1-CB 4.3Å; Y483-L487 HydrophobicContact CE1-CD1 4.38Å; Y483-L487 HydrophobicContact CE1-CD2 3.86Å; Y483-L487 HydrophobicContact CE1-CG 4.41Å; Y483-L487 WeakPolarHBondContact O-CB 3.31Å; Y483-L487 PolarHBondContact O-N 3.5Å; Y483-F513 HydrophobicContact CE1-CD2 4.06Å
484L87.8Confident88.9Confident8 Ų833.6 Ų33.64%0.04217%0.165CC..Hα-helixtrans-57.9-48.7-171.9-133.2118.7000113.4L480 V486 L487 M488 C514 Y517 S519 C644L480-L484 PolarHBondContact O-N 3.48Å; L484-V486 PolarHBondContact O-N 3.45Å; L484-L487 PolarHBondContact O-N 2.94Å; L484-M488 HydrophobicContact CD2-CE 3.78Å; L484-M488 HydrophobicContact CG-CE 4.21Å; L484-M488 VanDerWaalsContact O-CG 3.27Å; L484-M488 WeakPolarHBondContact O-CG 3.27Å; L484-M488 PolarHBondContact O-N 3.31Å; L484-C514 HydrophobicContact CD1-CB 4.32Å; L484-Y517 HydrophobicContact CD1-CD1 3.99Å; L484-Y517 HydrophobicContact CD1-CD2 3.79Å; L484-Y517 HydrophobicContact CD1-CE1 4.25Å; L484-Y517 HydrophobicContact CD1-CE2 4.08Å; L484-Y517 HydrophobicContact CD1-CG 3.74Å; L484-S519 WeakPolarHBondContact CD2-OG 3.44Å; L484-C644 HydrophobicContact CD2-CB 4.08Å; L484-C644 WeakPolarHBondContact CD2-SG 3.21Å
485P85.1Confident89.1Confident16 Ų1630 Ų3010%0.10415%0.148CC..Hα-helixtrans-59.1-41.2179.3-26.336.3000113.8F421 Q481 M488 E489 C644 V645F421-P485 HydrophobicContact CZ-CB 4.49Å; Q481-P485 WeakPolarHBondContact O-CD 3.33Å; Q481-P485 WeakPolarHBondContact O-CG 3.47Å; P485-M488 PolarHBondContact O-N 3Å; P485-E489 PolarHBondContact O-N 3.37Å; P485-C644 HydrophobicContact CG-CB 4.33Å; P485-V645 HydrophobicContact CB-CG2 3.98Å
486V89.8Confident89.1Confident0 Ų031.3 Ų31.30%015%0.153CC..Hα-helixtrans-70.2-41.9179.8-163.50000111.2Y417 F421 I439 L442 V443 Y483 L484 M488 E489 Q490Y417-V486 HydrophobicContact CE2-CG2 3.69Å; Y417-V486 WeakPolarHBondContact OH-CG2 3.36Å; F421-V486 HydrophobicContact CD2-CB 4.5Å; F421-V486 HydrophobicContact CD2-CG1 4.41Å; F421-V486 HydrophobicContact CD2-CG2 3.87Å; F421-V486 HydrophobicContact CE2-CB 4.43Å; F421-V486 HydrophobicContact CE2-CG2 4.14Å; I439-V486 HydrophobicContact CD1-CG1 4.26Å; I439-V486 HydrophobicContact CG2-CG1 3.88Å; I439-V486 WeakPolarHBondContact O-CG1 3.4Å; L442-V486 HydrophobicContact CB-CG1 3.68Å; L442-V486 HydrophobicContact CB-CG2 4.47Å; V443-V486 HydrophobicContact CG2-CB 3.98Å; V443-V486 HydrophobicContact CG2-CG1 3.5Å; Y483-V486 PolarHBondContact O-N 3.18Å; L484-V486 PolarHBondContact O-N 3.45Å; V486-M488 VanDerWaalsContact C-N 3.31Å; V486-M488 PolarHBondContact O-N 3.25Å; V486-E489 PolarHBondContact O-N 3.38Å; V486-Q490 WeakPolarHBondContact O-CB 3.45Å; V486-Q490 PolarHBondContact O-N 2.99Å
487L93.4Very high89Confident2 Ų235.5 Ų35.51%0.0117%0.171CC..Hα-helixtrans-58.6-45.4175.5-18075.4000110.8V443 Y483 L484 Q490 A491 I506 S510V443-L487 HydrophobicContact CG1-CD1 4.41Å; Y483-L487 HydrophobicContact CE1-CB 4.3Å; Y483-L487 HydrophobicContact CE1-CD1 4.38Å; Y483-L487 HydrophobicContact CE1-CD2 3.86Å; Y483-L487 HydrophobicContact CE1-CG 4.41Å; Y483-L487 WeakPolarHBondContact O-CB 3.31Å; Y483-L487 PolarHBondContact O-N 3.5Å; L484-L487 PolarHBondContact O-N 2.94Å; L487-Q490 PolarHBondContact O-N 3.26Å; L487-A491 WeakPolarHBondContact O-CB 3.5Å; L487-A491 PolarHBondContact O-N 3.04Å; L487-I506 HydrophobicContact CD1-CG2 3.44Å; L487-I506 VanDerWaalsContact CD1-CG2 3.44Å; L487-I506 HydrophobicContact CG-CG2 4.28Å; L487-S510 VanDerWaalsContact CD2-CB 3.48Å; L487-S510 WeakPolarHBondContact CD2-OG 3.2Å
488M89.4Confident89.2Confident0 Ų037.4 Ų37.40%018%0.176CC..Hα-helixtrans-65.7-39.1178.8-65.5-51.6167.600111.9L484 P485 V486 A491 K492 F507 W520 N523L484-M488 HydrophobicContact CD2-CE 3.78Å; L484-M488 HydrophobicContact CG-CE 4.21Å; L484-M488 VanDerWaalsContact O-CG 3.27Å; L484-M488 WeakPolarHBondContact O-CG 3.27Å; L484-M488 PolarHBondContact O-N 3.31Å; P485-M488 PolarHBondContact O-N 3Å; V486-M488 VanDerWaalsContact C-N 3.31Å; V486-M488 PolarHBondContact O-N 3.25Å; M488-A491 PolarHBondContact O-N 3.42Å; M488-K492 VanDerWaalsContact O-CB 3.31Å; M488-K492 WeakPolarHBondContact O-CB 3.39Å; M488-K492 PolarHBondContact O-N 2.96Å; M488-F507 HydrophobicContact CE-CE1 4.35Å; M488-F507 HydrophobicContact SD-CE1 3.9Å; M488-F507 HydrophobicContact SD-CZ 4.22Å; M488-W520 HydrophobicContact CE-CB 3.82Å; M488-W520 HydrophobicContact CE-CG 4.34Å; M488-N523 HydrophobicContact SD-CB 4.49Å; M488-N523 PolarHBondContact SD-ND2 3.43Å
489E88.7Confident89.7Confident8 Ų836.4 Ų36.44%0.03717%0.174CC..Hα-helixtrans-67-42.2175.3-169.266-149.500111.6F421 I425 Q428 I439 P485 V486 A491 K492 M493F421-E489 HydrophobicContact CE2-CB 4.31Å; I425-E489 HydrophobicContact CD1-CB 4.39Å; I425-E489 HydrophobicContact CD1-CG 3.48Å; I425-E489 VanDerWaalsContact CD1-CG 3.48Å; Q428-E489 PolarHBondContact NE2-OE1 3.06Å; I439-E489 HydrophobicContact CD1-CG 4.49Å; P485-E489 PolarHBondContact O-N 3.37Å; V486-E489 PolarHBondContact O-N 3.38Å; E489-A491 VanDerWaalsContact C-N 3.32Å; E489-A491 PolarHBondContact O-N 3.26Å; E489-K492 WeakPolarHBondContact O-CB 3.41Å; E489-K492 PolarHBondContact O-N 3.29Å; E489-K492 IonicContact OE1-NZ 2.81Å; E489-K492 PolarHBondContact OE1-NZ 2.91Å; E489-K492 IonicContact OE2-NZ 3.63Å; E489-K492 PolarHBondContact OE2-NZ 3.18Å; E489-M493 WeakPolarHBondContact O-CG 3.28Å; E489-M493 PolarHBondContact O-N 3.39Å
490Q93.3Very high89.9Confident22 Ų2237.8 Ų37.810%0.10318%0.177CC..Hα-helixtrans-56.5-48.9174.2-168.4-164.21300110.9I439 E440 V443 V486 L487 K492 M493 Y494 I506I439-Q490 HydrophobicContact CG2-CB 3.68Å; I439-Q490 HydrophobicContact CG2-CG 4.24Å; E440-Q490 HydrophobicContact CG-CG 4.26Å; V443-Q490 HydrophobicContact CG2-CB 4.24Å; V486-Q490 WeakPolarHBondContact O-CB 3.45Å; V486-Q490 PolarHBondContact O-N 2.99Å; L487-Q490 PolarHBondContact O-N 3.26Å; Q490-K492 VanDerWaalsContact C-N 3.34Å; Q490-K492 PolarHBondContact O-N 2.95Å; Q490-M493 PolarHBondContact O-N 3.34Å; Q490-Y494 HydrophobicContact CG-CD2 4.46Å; Q490-Y494 HydrophobicContact CG-CE2 4.31Å; Q490-Y494 WeakPolarHBondContact O-CD2 3.24Å; Q490-Y494 PolarHBondContact O-N 3.02Å; Q490-I506 HydrophobicContact CG-CD1 3.97Å
491A93.3Very high90.2Very high0 Ų046.6 Ų46.60%021%0.21CC..Hα-helixtrans-58.8-45.5177.100000111.4L487 M488 E489 M493 Y494 W495 V503 I506 F507 L640L487-A491 WeakPolarHBondContact O-CB 3.5Å; L487-A491 PolarHBondContact O-N 3.04Å; M488-A491 PolarHBondContact O-N 3.42Å; E489-A491 VanDerWaalsContact C-N 3.32Å; E489-A491 PolarHBondContact O-N 3.26Å; A491-M493 PolarHBondContact O-N 3.33Å; A491-Y494 PolarHBondContact O-N 3.07Å; A491-W495 WeakPolarHBondContact O-CB 3.34Å; A491-W495 PolarHBondContact O-N 3Å; A491-V503 HydrophobicContact CB-CG1 4.18Å; A491-V503 WeakPolarHBondContact O-CG2 3.33Å; A491-I506 HydrophobicContact CB-CG2 4.41Å; A491-F507 HydrophobicContact CB-CE1 4.09Å; A491-F507 HydrophobicContact CB-CE2 4.32Å; A491-F507 HydrophobicContact CB-CZ 3.68Å; A491-L640 HydrophobicContact CB-CD1 4.4Å; A491-L640 HydrophobicContact CB-CD2 4.09Å
492K88.7Confident90.8Very high36 Ų3642.6 Ų42.616%0.15719%0.191CC..Hα-helixtrans-59.2-42.9176.8174.5168.1155.5-89.50112.2M488 E489 Q490 Y494 W495 D496 L640 T642M488-K492 VanDerWaalsContact O-CB 3.31Å; M488-K492 WeakPolarHBondContact O-CB 3.39Å; M488-K492 PolarHBondContact O-N 2.96Å; E489-K492 WeakPolarHBondContact O-CB 3.41Å; E489-K492 PolarHBondContact O-N 3.29Å; E489-K492 IonicContact OE1-NZ 2.81Å; E489-K492 PolarHBondContact OE1-NZ 2.91Å; E489-K492 IonicContact OE2-NZ 3.63Å; E489-K492 PolarHBondContact OE2-NZ 3.18Å; Q490-K492 VanDerWaalsContact C-N 3.34Å; Q490-K492 PolarHBondContact O-N 2.95Å; K492-Y494 VanDerWaalsContact C-N 3.28Å; K492-Y494 PolarHBondContact O-N 3.19Å; K492-W495 WeakPolarHBondContact O-CB 3.24Å; K492-W495 PolarHBondContact O-N 3.27Å; K492-W495 VanDerWaalsContact O-N 3.1Å; K492-D496 VanDerWaalsContact O-CG 3.25Å; K492-D496 PolarHBondContact O-N 3.4Å; K492-L640 HydrophobicContact CB-CB 4.3Å; K492-T642 HydrophobicContact CB-CG2 4.5Å; K492-T642 HydrophobicContact CD-CG2 3.54Å
493M90.2Very high91.3Very high9 Ų939.9 Ų39.94%0.04418%0.178CC..Hα-helixtrans-60.3-35.7177.6-68.6-174.779.900113.3Q428 P432 L436 I439 E489 Q490 A491 K497Q428-M493 HydrophobicContact CG-CE 4.21Å; P432-M493 WeakPolarHBondContact O-CE 3.46Å; L436-M493 HydrophobicContact CB-CE 3.58Å; L436-M493 HydrophobicContact CB-SD 4.16Å; L436-M493 HydrophobicContact CD1-CB 4.01Å; L436-M493 HydrophobicContact CD1-CE 4.1Å; L436-M493 HydrophobicContact CD1-CG 4.49Å; L436-M493 HydrophobicContact CD1-SD 3.71Å; L436-M493 HydrophobicContact CG-CE 4.37Å; I439-M493 HydrophobicContact CG1-SD 4.3Å; E489-M493 WeakPolarHBondContact O-CG 3.28Å; E489-M493 PolarHBondContact O-N 3.39Å; Q490-M493 PolarHBondContact O-N 3.34Å; A491-M493 PolarHBondContact O-N 3.33Å; M493-K497 WeakPolarHBondContact O-CG 3.49Å
494Y93.4Very high91.6Very high36 Ų3640.6 Ų40.614%0.14118%0.181CC..Hα-helixtrans-79-31174.7-78-73.9000113L436 E440 Q490 A491 K492 K497 K498 N499 Q502 I506L436-Y494 HydrophobicContact CD1-CE2 3.94Å; L436-Y494 HydrophobicContact CD2-CE1 4.47Å; L436-Y494 HydrophobicContact CD2-CE2 4.32Å; E440-Y494 PolarHBondContact OE1-OH 2.86Å; Q490-Y494 HydrophobicContact CG-CD2 4.46Å; Q490-Y494 HydrophobicContact CG-CE2 4.31Å; Q490-Y494 WeakPolarHBondContact O-CD2 3.24Å; Q490-Y494 PolarHBondContact O-N 3.02Å; A491-Y494 PolarHBondContact O-N 3.07Å; K492-Y494 VanDerWaalsContact C-N 3.28Å; K492-Y494 PolarHBondContact O-N 3.19Å; Y494-K497 CarbonylContact O-C 3.53Å; Y494-K497 PolarHBondContact O-N 3.47Å; Y494-K498 PolarHBondContact O-N 3.06Å; Y494-N499 HydrophobicContact CD1-CB 4.47Å; Y494-N499 PolarHBondContact O-N 3.47Å; Y494-Q502 HydrophobicContact CD1-CB 3.95Å; Y494-Q502 HydrophobicContact CD1-CG 3.6Å; Y494-Q502 HydrophobicContact CD2-CG 4.06Å; Y494-Q502 HydrophobicContact CE1-CB 4.42Å; Y494-Q502 HydrophobicContact CE1-CG 3.68Å; Y494-Q502 HydrophobicContact CE2-CG 4.13Å; Y494-Q502 HydrophobicContact CG-CB 4.18Å; Y494-Q502 HydrophobicContact CG-CG 3.79Å; Y494-I506 HydrophobicContact CD2-CD1 3.47Å; Y494-I506 VanDerWaalsContact CD2-CD1 3.47Å; Y494-I506 HydrophobicContact CE2-CD1 3.95Å; Y494-I506 HydrophobicContact CG-CD1 4.31Å
495W91.5Very high92Very high9 Ų945.3 Ų45.33%0.03420%0.201CC..Hα-helixtrans-65.5-43.4173.5176.1-84.5000112.9A491 K492 K497 K498 Y500 V503 H526 M530 L640A491-W495 WeakPolarHBondContact O-CB 3.34Å; A491-W495 PolarHBondContact O-N 3Å; K492-W495 WeakPolarHBondContact O-CB 3.24Å; K492-W495 PolarHBondContact O-N 3.27Å; K492-W495 VanDerWaalsContact O-N 3.1Å; W495-K497 PolarHBondContact O-N 3.32Å; W495-K498 VanDerWaalsContact O-CA 3.28Å; W495-K498 WeakPolarHBondContact O-CA 3.43Å; W495-K498 PolarHBondContact O-N 3Å; W495-Y500 HydrophobicContact CD2-CD1 4.15Å; W495-Y500 AromaticContact CD2-CE1 3.85Å; W495-Y500 HydrophobicContact CD2-CE1 3.85Å; W495-Y500 AromaticContact CE3-CD1 3.68Å; W495-Y500 HydrophobicContact CE3-CD1 3.68Å; W495-Y500 AromaticContact CE3-CE1 3.82Å; W495-Y500 HydrophobicContact CE3-CE1 3.82Å; W495-Y500 HydrophobicContact CG-CE1 4.42Å; W495-Y500 HydrophobicContact CH2-CE1 4.4Å; W495-Y500 HydrophobicContact CZ2-CE1 4.4Å; W495-Y500 AromaticContact CZ3-CD1 3.98Å; W495-Y500 HydrophobicContact CZ3-CD1 3.98Å; W495-Y500 HydrophobicContact CZ3-CE1 4.14Å; W495-V503 HydrophobicContact CB-CG2 4.09Å; W495-H526 HydrophobicContact CH2-CB 3.91Å; W495-H526 HydrophobicContact CZ3-CB 4.24Å; W495-M530 HydrophobicContact CH2-CB 4.15Å; W495-M530 HydrophobicContact CH2-CG 3.32Å; W495-M530 HydrophobicContact CZ2-CG 3.89Å; W495-M530 HydrophobicContact CZ3-CB 4.39Å; W495-M530 HydrophobicContact CZ3-CG 4.03Å; W495-L640 HydrophobicContact CB-CD1 3.16Å; W495-L640 HydrophobicContact CD2-CD1 3.47Å; W495-L640 VanDerWaalsContact CD2-CD1 3.47Å; W495-L640 HydrophobicContact CD2-CG 4.21Å; W495-L640 HydrophobicContact CE3-CD1 3.42Å; W495-L640 VanDerWaalsContact CE3-CD1 3.42Å; W495-L640 HydrophobicContact CE3-CG 4.07Å; W495-L640 HydrophobicContact CG-CD1 3.39Å; W495-L640 HydrophobicContact CG-CG 4.42Å; W495-L640 HydrophobicContact CZ3-CD1 4.33Å
496D87.1Confident92.5Very high89 Ų8945.1 Ų45.148%0.47620%0.199SC..Hα-helixtrans-62.3-28.4177.1-66-15.2000110.9K492 K498K492-D496 VanDerWaalsContact O-CG 3.25Å; K492-D496 PolarHBondContact O-N 3.4Å; D496-K498 PolarHBondContact O-N 3.09Å
497K90.2Very high92.7Very high118 Ų11845.3 Ų45.351%0.51320%0.2SC..THydrogen-bonded Turntrans-80.13.4170.6-67177.7-179.1179.50114M493 Y494 W495 N499M493-K497 WeakPolarHBondContact O-CG 3.49Å; Y494-K497 CarbonylContact O-C 3.53Å; Y494-K497 PolarHBondContact O-N 3.47Å; W495-K497 PolarHBondContact O-N 3.32Å; K497-N499 PolarHBondContact O-N 3.23Å
498K90.6Very high92.8Very high121 Ų12150.6 Ų50.653%0.52623%0.225SC..THydrogen-bonded Turntrans56.325.3-174.3-54-169.5174.1-1590113.9Y494 W495 D496 Y500 E637Y494-K498 PolarHBondContact O-N 3.06Å; W495-K498 VanDerWaalsContact O-CA 3.28Å; W495-K498 WeakPolarHBondContact O-CA 3.43Å; W495-K498 PolarHBondContact O-N 3Å; D496-K498 PolarHBondContact O-N 3.09Å; K498-Y500 VanDerWaalsContact C-N 3.34Å; K498-Y500 HydrophobicContact CB-CE2 4.16Å; K498-Y500 PolarHBondContact O-N 3.03Å; K498-E637 WeakPolarHBondContact CE-OE1 3.3Å; K498-E637 IonicContact NZ-OE1 2.68Å; K498-E637 PolarHBondContact NZ-OE1 3.45Å
499N94.5Very high93Very high70 Ų7057.6 Ų57.637%0.37426%0.257SS..  trans-93.263.4179-168.6-4.9000111.2Y494 K497 R501 Q502 V503Y494-N499 HydrophobicContact CD1-CB 4.47Å; Y494-N499 PolarHBondContact O-N 3.47Å; K497-N499 PolarHBondContact O-N 3.23Å; N499-R501 PolarHBondContact O-N 2.89Å; N499-R501 VanDerWaalsContact O-N 3.11Å; N499-Q502 HydrophobicContact CB-CB 4.38Å; N499-Q502 PolarHBondContact O-N 3.15Å; N499-Q502 PolarHBondContact OD1-N 3.32Å; N499-V503 PolarHBondContact O-N 3.2Å
500Y93.7Very high93.2Very high36 Ų3657.2 Ų57.214%0.14126%0.255CS..Hα-helixtrans-60.4-24.4-175.5-48.7-62.1000113.8W495 K498 V503 E504 T527 M530 Q531W495-Y500 HydrophobicContact CD2-CD1 4.15Å; W495-Y500 AromaticContact CD2-CE1 3.85Å; W495-Y500 HydrophobicContact CD2-CE1 3.85Å; W495-Y500 AromaticContact CE3-CD1 3.68Å; W495-Y500 HydrophobicContact CE3-CD1 3.68Å; W495-Y500 AromaticContact CE3-CE1 3.82Å; W495-Y500 HydrophobicContact CE3-CE1 3.82Å; W495-Y500 HydrophobicContact CG-CE1 4.42Å; W495-Y500 HydrophobicContact CH2-CE1 4.4Å; W495-Y500 HydrophobicContact CZ2-CE1 4.4Å; W495-Y500 AromaticContact CZ3-CD1 3.98Å; W495-Y500 HydrophobicContact CZ3-CD1 3.98Å; W495-Y500 HydrophobicContact CZ3-CE1 4.14Å; K498-Y500 VanDerWaalsContact C-N 3.34Å; K498-Y500 HydrophobicContact CB-CE2 4.16Å; K498-Y500 PolarHBondContact O-N 3.03Å; Y500-V503 PolarHBondContact O-N 2.92Å; Y500-E504 PolarHBondContact O-N 3.04Å; Y500-T527 WeakPolarHBondContact O-CG2 3.48Å; Y500-M530 HydrophobicContact CD1-CB 3.94Å; Y500-M530 HydrophobicContact CD2-CB 4.22Å; Y500-M530 HydrophobicContact CE1-CB 3.96Å; Y500-M530 HydrophobicContact CE1-CE 4.39Å; Y500-M530 HydrophobicContact CE1-CG 4.31Å; Y500-M530 HydrophobicContact CE2-CB 4.23Å; Y500-M530 HydrophobicContact CE2-CE 4.45Å; Y500-M530 HydrophobicContact CG-CB 4.08Å; Y500-M530 WeakPolarHBondContact OH-CE 3.15Å; Y500-Q531 PolarHBondContact O-NE2 3.33Å
501R95.2Very high93.2Very high191 Ų19157.8 Ų57.872%0.72126%0.264SS*.Hα-helixtrans-67.8-38.6174.4-71.3-175.6-179.5167.81112N499 K505N499-R501 PolarHBondContact O-N 2.89Å; N499-R501 VanDerWaalsContact O-N 3.11Å; R501-K505 WeakPolarHBondContact O-CG 3.24Å; R501-K505 PolarHBondContact O-N 3.19Å; R501-K505 VanDerWaalsContact O-N 3.16Å
502Q95.6Very high92.9Very high55 Ų5564.4 Ų64.426%0.25730%0.299SS..Hα-helixtrans-72.4-38.1176.6-171.563.214.500111Y494 N499 E504 K505 I506Y494-Q502 HydrophobicContact CD1-CB 3.95Å; Y494-Q502 HydrophobicContact CD1-CG 3.6Å; Y494-Q502 HydrophobicContact CD2-CG 4.06Å; Y494-Q502 HydrophobicContact CE1-CB 4.42Å; Y494-Q502 HydrophobicContact CE1-CG 3.68Å; Y494-Q502 HydrophobicContact CE2-CG 4.13Å; Y494-Q502 HydrophobicContact CG-CB 4.18Å; Y494-Q502 HydrophobicContact CG-CG 3.79Å; N499-Q502 HydrophobicContact CB-CB 4.38Å; N499-Q502 PolarHBondContact O-N 3.15Å; N499-Q502 PolarHBondContact OD1-N 3.32Å; Q502-E504 VanDerWaalsContact C-N 3.33Å; Q502-E504 PolarHBondContact O-N 3.42Å; Q502-K505 WeakPolarHBondContact O-CB 3.41Å; Q502-K505 PolarHBondContact O-N 3.49Å; Q502-I506 HydrophobicContact CG-CD1 4.45Å; Q502-I506 WeakPolarHBondContact O-CG1 3.34Å; Q502-I506 PolarHBondContact O-N 2.8Å
503V95.7Very high92.9Very high0 Ų064.3 Ų64.30%030%0.299CS..Hα-helixtrans-58.2-45.8173.2-177.50000110.9A491 W495 N499 Y500 K505 I506 F507 T527 L640A491-V503 HydrophobicContact CB-CG1 4.18Å; A491-V503 WeakPolarHBondContact O-CG2 3.33Å; W495-V503 HydrophobicContact CB-CG2 4.09Å; N499-V503 PolarHBondContact O-N 3.2Å; Y500-V503 PolarHBondContact O-N 2.92Å; V503-K505 VanDerWaalsContact C-N 3.33Å; V503-K505 PolarHBondContact O-N 2.81Å; V503-I506 WeakPolarHBondContact O-CB 3.42Å; V503-I506 PolarHBondContact O-N 3.08Å; V503-F507 HydrophobicContact CG1-CD2 3.9Å; V503-F507 HydrophobicContact CG1-CE2 3.46Å; V503-F507 VanDerWaalsContact CG1-CE2 3.46Å; V503-F507 HydrophobicContact CG1-CZ 4.29Å; V503-F507 WeakPolarHBondContact O-CD2 3.46Å; V503-F507 PolarHBondContact O-N 3.38Å; V503-T527 HydrophobicContact CB-CG2 3.82Å; V503-T527 HydrophobicContact CG1-CG2 3.73Å; V503-T527 VanDerWaalsContact CG1-OG1 3.26Å; V503-T527 WeakPolarHBondContact CG1-OG1 3.28Å; V503-L640 HydrophobicContact CG1-CD1 4.13Å; V503-L640 HydrophobicContact CG1-CD2 4.43Å
504E95.5Very high92.7Very high27 Ų2763.9 Ų63.913%0.12630%0.297CS..Hα-helixtrans-60.1-43.4176.1-175.8-173.3178.400111.5Y500 Q502 I506 F507 Q508 T527 L528 Q531 K534Y500-E504 PolarHBondContact O-N 3.04Å; Q502-E504 VanDerWaalsContact C-N 3.33Å; Q502-E504 PolarHBondContact O-N 3.42Å; E504-I506 VanDerWaalsContact C-N 3.34Å; E504-I506 PolarHBondContact O-N 2.62Å; E504-F507 PolarHBondContact O-N 3.31Å; E504-Q508 HydrophobicContact CG-CG 4.39Å; E504-Q508 WeakPolarHBondContact O-CG 3.23Å; E504-Q508 PolarHBondContact O-N 3.05Å; E504-Q508 PolarHBondContact OE1-NE2 3.05Å; E504-T527 HydrophobicContact CB-CG2 4.01Å; E504-L528 HydrophobicContact CG-CD2 4.26Å; E504-Q531 PolarHBondContact OE2-NE2 3.05Å; E504-Q531 PolarHBondContact OE2-OE1 2.9Å; E504-K534 IonicContact OE1-NZ 3.77Å; E504-K534 PolarHBondContact OE1-NZ 2.87Å; E504-K534 IonicContact OE2-NZ 3.16Å; E504-K534 PolarHBondContact OE2-NZ 3.17Å
505K96.4Very high92.3Very high107 Ų10763.1 Ų63.147%0.46530%0.3SS..Hα-helixtrans-60.2-44.1176.1-73.7176.8-178.7-178.60111.8R501 Q502 V503 F507 Q508 H509R501-K505 WeakPolarHBondContact O-CG 3.24Å; R501-K505 PolarHBondContact O-N 3.19Å; R501-K505 VanDerWaalsContact O-N 3.16Å; Q502-K505 WeakPolarHBondContact O-CB 3.41Å; Q502-K505 PolarHBondContact O-N 3.49Å; V503-K505 VanDerWaalsContact C-N 3.33Å; V503-K505 PolarHBondContact O-N 2.81Å; K505-F507 VanDerWaalsContact C-N 3.27Å; K505-F507 PolarHBondContact O-N 2.76Å; K505-Q508 PolarHBondContact O-N 3.33Å; K505-H509 PolarHBondContact O-N 2.69Å; K505-H509 PolarHBondContact O-ND1 3.06Å
506I95.6Very high91.9Very high12 Ų1269.6 Ų69.66%0.06234%0.335CS..Hα-helixtrans-55.8-47.5176.7-70.5165.3000109.5L487 Q490 A491 Y494 Q502 V503 E504 H509 S510L487-I506 HydrophobicContact CD1-CG2 3.44Å; L487-I506 VanDerWaalsContact CD1-CG2 3.44Å; L487-I506 HydrophobicContact CG-CG2 4.28Å; Q490-I506 HydrophobicContact CG-CD1 3.97Å; A491-I506 HydrophobicContact CB-CG2 4.41Å; Y494-I506 HydrophobicContact CD2-CD1 3.47Å; Y494-I506 VanDerWaalsContact CD2-CD1 3.47Å; Y494-I506 HydrophobicContact CE2-CD1 3.95Å; Y494-I506 HydrophobicContact CG-CD1 4.31Å; Q502-I506 HydrophobicContact CG-CD1 4.45Å; Q502-I506 WeakPolarHBondContact O-CG1 3.34Å; Q502-I506 PolarHBondContact O-N 2.8Å; V503-I506 WeakPolarHBondContact O-CB 3.42Å; V503-I506 PolarHBondContact O-N 3.08Å; E504-I506 VanDerWaalsContact C-N 3.34Å; E504-I506 PolarHBondContact O-N 2.62Å; I506-H509 PolarHBondContact O-N 2.69Å; I506-S510 PolarHBondContact O-N 2.88Å; I506-S510 PolarHBondContact O-OG 3.01Å
507F95.3Very high91.7Very high3 Ų369.1 Ų69.11%0.01333%0.327CS..Hα-helixtrans-65.1-44.2178.3-68.5-45000113.3M488 A491 V503 E504 K505 H509 S510 A511 W520 N523 V524 L640M488-F507 HydrophobicContact CE-CE1 4.35Å; M488-F507 HydrophobicContact SD-CE1 3.9Å; M488-F507 HydrophobicContact SD-CZ 4.22Å; A491-F507 HydrophobicContact CB-CE1 4.09Å; A491-F507 HydrophobicContact CB-CE2 4.32Å; A491-F507 HydrophobicContact CB-CZ 3.68Å; V503-F507 HydrophobicContact CG1-CD2 3.9Å; V503-F507 HydrophobicContact CG1-CE2 3.46Å; V503-F507 VanDerWaalsContact CG1-CE2 3.46Å; V503-F507 HydrophobicContact CG1-CZ 4.29Å; V503-F507 WeakPolarHBondContact O-CD2 3.46Å; V503-F507 PolarHBondContact O-N 3.38Å; E504-F507 PolarHBondContact O-N 3.31Å; K505-F507 VanDerWaalsContact C-N 3.27Å; K505-F507 PolarHBondContact O-N 2.76Å; F507-H509 VanDerWaalsContact C-N 3.28Å; F507-H509 PolarHBondContact O-N 3.44Å; F507-S510 WeakPolarHBondContact CA-OG 3.47Å; F507-S510 CarbonylContact O-C 3.56Å; F507-S510 PolarHBondContact O-N 3.12Å; F507-S510 PolarHBondContact O-OG 3.29Å; F507-A511 PolarHBondContact O-N 3.3Å; F507-W520 HydrophobicContact CB-CZ2 3.95Å; F507-W520 AromaticContact CD1-CD1 3.7Å; F507-W520 AromaticContact CD1-NE1 3.43Å; F507-W520 WeakPolarHBondContact O-CZ2 3.49Å; F507-N523 HydrophobicContact CE1-CB 4.4Å; F507-N523 HydrophobicContact CE2-CB 4.05Å; F507-N523 HydrophobicContact CZ-CB 3.66Å; F507-V524 HydrophobicContact CB-CG2 3.67Å; F507-V524 HydrophobicContact CD1-CG2 4.23Å; F507-V524 HydrophobicContact CD2-CG2 3.82Å; F507-V524 HydrophobicContact CG-CG2 3.65Å; F507-L640 HydrophobicContact CE2-CD2 3.66Å; F507-L640 HydrophobicContact CZ-CD2 3.37Å
508Q94.9Very high91.2Very high113 Ų11368.2 Ų68.253%0.52833%0.328SS..Hα-helixtrans-55.2-41.4176.3-74.4173.7-5.500112.6E504 K505 S510 A511E504-Q508 HydrophobicContact CG-CG 4.39Å; E504-Q508 WeakPolarHBondContact O-CG 3.23Å; E504-Q508 PolarHBondContact O-N 3.05Å; E504-Q508 PolarHBondContact OE1-NE2 3.05Å; K505-Q508 PolarHBondContact O-N 3.33Å; Q508-S510 VanDerWaalsContact C-N 3.32Å; Q508-S510 PolarHBondContact O-N 2.93Å; Q508-A511 WeakPolarHBondContact O-CB 3.5Å; Q508-A511 PolarHBondContact O-N 3.03Å
509H93Very high90.6Very high147 Ų14763.5 Ų63.568%0.68131%0.311SS*.Hα-helixtrans-70.7-27.6178.2-71.381.6000113.2K505 I506 F507K505-H509 PolarHBondContact O-N 2.69Å; K505-H509 PolarHBondContact O-ND1 3.06Å; I506-H509 PolarHBondContact O-N 2.69Å; F507-H509 VanDerWaalsContact C-N 3.28Å; F507-H509 PolarHBondContact O-N 3.44Å
510S93.8Very high90.3Very high0 Ų061 Ų610%030%0.296CS..Hα-helixtrans-92.2-2.2179.867.20000114.5L487 I506 F507 Q508 D512 F513 C514 W520L487-S510 VanDerWaalsContact CD2-CB 3.48Å; L487-S510 WeakPolarHBondContact CD2-OG 3.2Å; I506-S510 PolarHBondContact O-N 2.88Å; I506-S510 PolarHBondContact O-OG 3.01Å; F507-S510 WeakPolarHBondContact CA-OG 3.47Å; F507-S510 CarbonylContact O-C 3.56Å; F507-S510 PolarHBondContact O-N 3.12Å; F507-S510 PolarHBondContact O-OG 3.29Å; Q508-S510 VanDerWaalsContact C-N 3.32Å; Q508-S510 PolarHBondContact O-N 2.93Å; S510-D512 VanDerWaalsContact C-N 3.29Å; S510-D512 PolarHBondContact O-N 3.01Å; S510-F513 PolarHBondContact O-N 3.28Å; S510-F513 VanDerWaalsContact O-N 3.13Å; S510-C514 WeakPolarHBondContact O-CB 3.41Å; S510-C514 PolarHBondContact O-N 2.95Å; S510-W520 PolarHBondContact OG-NE1 3.07Å
511A92.7Very high90.1Very high34 Ų3461.2 Ų61.228%0.28130%0.297SS..Hα-helixtrans-61-37.1-168.600000112.8F507 Q508 F513 G515 W520F507-A511 PolarHBondContact O-N 3.3Å; Q508-A511 WeakPolarHBondContact O-CB 3.5Å; Q508-A511 PolarHBondContact O-N 3.03Å; A511-F513 VanDerWaalsContact C-N 3.27Å; A511-F513 PolarHBondContact O-N 3.07Å; A511-G515 WeakPolarHBondContact O-CA 3.48Å; A511-G515 PolarHBondContact O-N 3.23Å; A511-W520 HydrophobicContact CB-CH2 4.05Å; A511-W520 HydrophobicContact CB-CZ2 3.82Å
512D88.3Confident89.7Confident140 Ų14053.1 Ų53.175%0.74927%0.269SS*.Hα-helixtrans-63.9-33.8179.9-63.2-25.6000111.9S510S510-D512 VanDerWaalsContact C-N 3.29Å; S510-D512 PolarHBondContact O-N 3.01Å
513F86.9Confident89.3Confident33 Ų3350.5 Ų50.515%0.14526%0.256CS..Hα-helixtrans-87.6-43.4179-51.2-41.7000112.8L450 E454 L480 Y483 S510 A511L450-F513 HydrophobicContact CB-CD1 4.48Å; L450-F513 HydrophobicContact CB-CE1 4.31Å; L450-F513 HydrophobicContact CB-CZ 4.36Å; L450-F513 HydrophobicContact CD1-CB 4.39Å; L450-F513 HydrophobicContact CD1-CD2 4.15Å; L450-F513 HydrophobicContact CD1-CG 4.17Å; E454-F513 WeakPolarHBondContact OE2-CE1 3.44Å; L480-F513 HydrophobicContact CD1-CB 4.03Å; Y483-F513 HydrophobicContact CE1-CD2 4.06Å; S510-F513 PolarHBondContact O-N 3.28Å; S510-F513 VanDerWaalsContact O-N 3.13Å; A511-F513 VanDerWaalsContact C-N 3.27Å; A511-F513 PolarHBondContact O-N 3.07Å
514C87.4Confident89.2Confident0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-108.7-6.9-163.1-64.30000114.2L484 S510 N516 Y517 W520L484-C514 HydrophobicContact CD1-CB 4.32Å; S510-C514 WeakPolarHBondContact O-CB 3.41Å; S510-C514 PolarHBondContact O-N 2.95Å; C514-N516 PolarHBondContact O-N 3.45Å; C514-Y517 PolarHBondContact O-N 3.36Å; C514-W520 HydrophobicContact CB-CB 4.15Å; C514-W520 HydrophobicContact CB-CD2 4.34Å; C514-W520 HydrophobicContact CB-CG 3.68Å; C514-W520 WeakPolarHBondContact O-CB 3.35Å
515G85.2Confident88.9Confident20 Ų2049.8 Ų49.821%0.20625%0.254CS..THydrogen-bonded Turntrans-58-22-169.500000115.7A511 K521A511-G515 WeakPolarHBondContact O-CA 3.48Å; A511-G515 PolarHBondContact O-N 3.23Å; G515-K521 WeakPolarHBondContact O-CE 3.44Å
516N83.1Confident88.5Confident145 Ų14545.3 Ų45.378%0.77523%0.234SC*.THydrogen-bonded Turntrans-85.6-15.5178.8-68.7-32.5000114.1C514 K521C514-N516 PolarHBondContact O-N 3.45Å; N516-K521 PolarHBondContact O-NZ 2.97Å
517Y81.4Confident88.4Confident79 Ų7944.8 Ų44.831%0.3123%0.232SC..  trans-80.3131.3-177.5-71.8-96.2000111.5L480 L484 C514 S519 W520 K521L480-Y517 HydrophobicContact CD2-CE2 3.61Å; L480-Y517 VanDerWaalsContact CD2-OH 3.27Å; L480-Y517 WeakPolarHBondContact CD2-OH 3.5Å; L480-Y517 HydrophobicContact CG-CE2 4.05Å; L484-Y517 HydrophobicContact CD1-CD1 3.99Å; L484-Y517 HydrophobicContact CD1-CD2 3.79Å; L484-Y517 HydrophobicContact CD1-CE1 4.25Å; L484-Y517 HydrophobicContact CD1-CE2 4.08Å; L484-Y517 HydrophobicContact CD1-CG 3.74Å; C514-Y517 PolarHBondContact O-N 3.36Å; Y517-S519 VanDerWaalsContact C-N 3.32Å; Y517-S519 PolarHBondContact O-N 3.26Å; Y517-W520 WeakPolarHBondContact O-CB 3.46Å; Y517-W520 PolarHBondContact O-N 3.23Å; Y517-W520 VanDerWaalsContact O-N 3.1Å; Y517-K521 PolarHBondContact O-N 3.18Å
518D80Confident88.3Confident99 Ų9944.9 Ų44.953%0.52923%0.232SC..Hα-helixtrans-63.8-37.1-177.9-64.8-23000112.4W520 K521 L522 L545D518-W520 VanDerWaalsContact C-N 3.29Å; D518-W520 PolarHBondContact O-N 3.34Å; D518-K521 PolarHBondContact O-N 3Å; D518-K521 IonicContact OD1-NZ 3.2Å; D518-L522 WeakPolarHBondContact O-CB 3.35Å; D518-L522 PolarHBondContact O-N 3.41Å; D518-L545 HydrophobicContact CB-CD2 4.04Å
519S78.2Confident88Confident23 Ų2339.8 Ų39.816%0.16121%0.208CC..Hα-helixtrans-61.4-37.5174.356.20000112.2L484 Y517 N523 C644L484-S519 WeakPolarHBondContact CD2-OG 3.44Å; Y517-S519 VanDerWaalsContact C-N 3.32Å; Y517-S519 PolarHBondContact O-N 3.26Å; S519-N523 WeakPolarHBondContact O-CB 3.41Å; S519-N523 PolarHBondContact O-N 3.44Å; S519-N523 VanDerWaalsContact O-N 3.12Å; S519-N523 PolarHBondContact O-ND2 3Å; S519-C644 PolarHBondContact OG-SG 3.36Å
520W88.7Confident87.8Confident16 Ų1634.3 Ų34.36%0.06118%0.183CC..Hα-helixtrans-67.9-50.3174.7-176.597.6000111M488 F507 S510 A511 C514 Y517 D518 L522 N523 V524 F541M488-W520 HydrophobicContact CE-CB 3.82Å; M488-W520 HydrophobicContact CE-CG 4.34Å; F507-W520 HydrophobicContact CB-CZ2 3.95Å; F507-W520 AromaticContact CD1-CD1 3.7Å; F507-W520 AromaticContact CD1-NE1 3.43Å; F507-W520 WeakPolarHBondContact O-CZ2 3.49Å; S510-W520 PolarHBondContact OG-NE1 3.07Å; A511-W520 HydrophobicContact CB-CH2 4.05Å; A511-W520 HydrophobicContact CB-CZ2 3.82Å; C514-W520 HydrophobicContact CB-CB 4.15Å; C514-W520 HydrophobicContact CB-CD2 4.34Å; C514-W520 HydrophobicContact CB-CG 3.68Å; C514-W520 WeakPolarHBondContact O-CB 3.35Å; Y517-W520 WeakPolarHBondContact O-CB 3.46Å; Y517-W520 PolarHBondContact O-N 3.23Å; Y517-W520 VanDerWaalsContact O-N 3.1Å; D518-W520 VanDerWaalsContact C-N 3.29Å; D518-W520 PolarHBondContact O-N 3.34Å; W520-L522 VanDerWaalsContact C-N 3.32Å; W520-L522 PolarHBondContact O-N 3.05Å; W520-N523 PolarHBondContact O-N 2.99Å; W520-V524 HydrophobicContact CD2-CG2 3.69Å; W520-V524 HydrophobicContact CE3-CG2 3.69Å; W520-V524 HydrophobicContact CG-CG2 4.48Å; W520-V524 HydrophobicContact CH2-CG2 3.56Å; W520-V524 HydrophobicContact CZ2-CG2 3.57Å; W520-V524 HydrophobicContact CZ3-CB 4.4Å; W520-V524 HydrophobicContact CZ3-CG2 3.62Å; W520-V524 VanDerWaalsContact O-CG2 3.23Å; W520-V524 WeakPolarHBondContact O-CG2 3.23Å; W520-V524 PolarHBondContact O-N 3.1Å; W520-F541 AromaticContact CZ3-CE1 3.84Å; W520-F541 HydrophobicContact CZ3-CE1 3.84Å; W520-F541 HydrophobicContact CZ3-CZ 4.41Å
521K88.5Confident87.6Confident41 Ų4135.9 Ų35.918%0.17819%0.191CC..Hα-helixtrans-58-44.4179.2-68.5174.6-170160.30112G515 N516 Y517 D518 V524 G525 F541 L545G515-K521 WeakPolarHBondContact O-CE 3.44Å; N516-K521 PolarHBondContact O-NZ 2.97Å; Y517-K521 PolarHBondContact O-N 3.18Å; D518-K521 PolarHBondContact O-N 3Å; D518-K521 IonicContact OD1-NZ 3.2Å; K521-V524 PolarHBondContact O-N 3.12Å; K521-G525 PolarHBondContact O-N 3.41Å; K521-F541 HydrophobicContact CB-CD1 4.04Å; K521-F541 HydrophobicContact CG-CD1 4.27Å; K521-L545 HydrophobicContact CB-CD2 4.48Å
522L87.2Confident87.3Confident22 Ų2240.7 Ų40.712%0.11521%0.208CC..Hα-helixtrans-59.8-47.3177.9179.8139.6000111.1D518 W520 G525 H526 L545 V553 T641D518-L522 WeakPolarHBondContact O-CB 3.35Å; D518-L522 PolarHBondContact O-N 3.41Å; W520-L522 VanDerWaalsContact C-N 3.32Å; W520-L522 PolarHBondContact O-N 3.05Å; L522-G525 PolarHBondContact O-N 2.97Å; L522-H526 VanDerWaalsContact CD2-CD2 3.49Å; L522-H526 WeakPolarHBondContact CD2-CD2 3.46Å; L522-H526 VanDerWaalsContact CD2-NE2 3.3Å; L522-H526 WeakPolarHBondContact CD2-NE2 3.5Å; L522-H526 PolarHBondContact O-CD2 3.12Å; L522-H526 PolarHBondContact O-N 3.35Å; L522-L545 HydrophobicContact CB-CD1 3.97Å; L522-L545 HydrophobicContact CD1-CD1 4.08Å; L522-L545 HydrophobicContact CG-CD1 4.36Å; L522-V553 HydrophobicContact CD1-CG2 3.38Å; L522-V553 HydrophobicContact CG-CG2 4.11Å; L522-T641 HydrophobicContact CD2-CG2 3.69Å; L522-T641 WeakPolarHBondContact CD2-OG1 3.43Å
523N88.5Confident87.3Confident0 Ų039.4 Ų39.40%021%0.205CC..Hα-helixtrans-67.7-35.1178.8-80.7-22.3000113.6M488 F507 S519 W520 T527 L640 T641M488-N523 HydrophobicContact SD-CB 4.49Å; M488-N523 PolarHBondContact SD-ND2 3.43Å; F507-N523 HydrophobicContact CE1-CB 4.4Å; F507-N523 HydrophobicContact CE2-CB 4.05Å; F507-N523 HydrophobicContact CZ-CB 3.66Å; S519-N523 WeakPolarHBondContact O-CB 3.41Å; S519-N523 PolarHBondContact O-N 3.44Å; S519-N523 VanDerWaalsContact O-N 3.12Å; S519-N523 PolarHBondContact O-ND2 3Å; W520-N523 PolarHBondContact O-N 2.99Å; N523-T527 WeakPolarHBondContact O-CB 3.36Å; N523-T527 PolarHBondContact O-N 3.06Å; N523-T527 PolarHBondContact O-OG1 3.49Å; N523-L640 HydrophobicContact CB-CD2 3.46Å; N523-L640 VanDerWaalsContact CB-CD2 3.46Å; N523-L640 VanDerWaalsContact CG-CD2 3.42Å; N523-T641 PolarHBondContact ND2-O 3.1Å; N523-T641 PolarHBondContact ND2-OG1 3.29Å; N523-T641 PolarHBondContact OD1-N 3.3Å; N523-T641 PolarHBondContact OD1-OG1 3.45Å
524V92.1Very high87.5Confident11 Ų1140.1 Ų40.17%0.06721%0.208CC..Hα-helixtrans-64.3-46.8169.91790000110.2F507 W520 K521 H526 T527 L528 F541F507-V524 HydrophobicContact CB-CG2 3.67Å; F507-V524 HydrophobicContact CD1-CG2 4.23Å; F507-V524 HydrophobicContact CD2-CG2 3.82Å; F507-V524 HydrophobicContact CG-CG2 3.65Å; W520-V524 HydrophobicContact CD2-CG2 3.69Å; W520-V524 HydrophobicContact CE3-CG2 3.69Å; W520-V524 HydrophobicContact CG-CG2 4.48Å; W520-V524 HydrophobicContact CH2-CG2 3.56Å; W520-V524 HydrophobicContact CZ2-CG2 3.57Å; W520-V524 HydrophobicContact CZ3-CB 4.4Å; W520-V524 HydrophobicContact CZ3-CG2 3.62Å; W520-V524 VanDerWaalsContact O-CG2 3.23Å; W520-V524 WeakPolarHBondContact O-CG2 3.23Å; W520-V524 PolarHBondContact O-N 3.1Å; K521-V524 PolarHBondContact O-N 3.12Å; V524-H526 VanDerWaalsContact C-N 3.34Å; V524-H526 PolarHBondContact O-N 2.71Å; V524-T527 WeakPolarHBondContact O-CB 3.43Å; V524-T527 PolarHBondContact O-N 3.12Å; V524-T527 VanDerWaalsContact O-N 3.09Å; V524-L528 HydrophobicContact CG1-CD1 3.8Å; V524-L528 HydrophobicContact CG1-CG 4.18Å; V524-L528 WeakPolarHBondContact O-CG 3.49Å; V524-L528 PolarHBondContact O-N 2.8Å; V524-F541 HydrophobicContact CB-CD1 4.45Å; V524-F541 HydrophobicContact CB-CE1 4.34Å; V524-F541 HydrophobicContact CB-CZ 4.37Å; V524-F541 HydrophobicContact CG1-CD1 4.47Å; V524-F541 HydrophobicContact CG1-CD2 4Å; V524-F541 HydrophobicContact CG1-CE1 4.11Å; V524-F541 HydrophobicContact CG1-CE2 3.59Å; V524-F541 HydrophobicContact CG1-CG 4.43Å; V524-F541 HydrophobicContact CG1-CZ 3.65Å
525G90.4Very high87.7Confident0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-54.5-48.1175.700000112.3K521 L522 T527 L528 F529 Y542K521-G525 PolarHBondContact O-N 3.41Å; L522-G525 PolarHBondContact O-N 2.97Å; G525-T527 VanDerWaalsContact C-N 3.35Å; G525-T527 PolarHBondContact O-N 2.74Å; G525-L528 PolarHBondContact O-N 3.41Å; G525-F529 VanDerWaalsContact O-CB 3.24Å; G525-F529 WeakPolarHBondContact O-CB 3.48Å; G525-F529 PolarHBondContact O-N 3.35Å; G525-Y542 VanDerWaalsContact C-OH 3.29Å; G525-Y542 PolarHBondContact O-OH 2.97Å
526H88.5Confident88.1Confident13 Ų1349.2 Ų49.26%0.0624%0.241CC..Hα-helixtrans-59.6-43174.8-69-25.5000112.4W495 L522 V524 F529 M530 Y542W495-H526 HydrophobicContact CH2-CB 3.91Å; W495-H526 HydrophobicContact CZ3-CB 4.24Å; L522-H526 VanDerWaalsContact CD2-CD2 3.49Å; L522-H526 WeakPolarHBondContact CD2-CD2 3.46Å; L522-H526 VanDerWaalsContact CD2-NE2 3.3Å; L522-H526 WeakPolarHBondContact CD2-NE2 3.5Å; L522-H526 PolarHBondContact O-CD2 3.12Å; L522-H526 PolarHBondContact O-N 3.35Å; V524-H526 VanDerWaalsContact C-N 3.34Å; V524-H526 PolarHBondContact O-N 2.71Å; H526-F529 PolarHBondContact O-N 3.22Å; H526-M530 WeakPolarHBondContact O-CG 3.39Å; H526-M530 PolarHBondContact O-N 3.17Å; H526-Y542 WeakPolarHBondContact CA-OH 3.43Å; H526-Y542 AromaticContact CE1-CE1 3.81Å; H526-Y542 PolarHBondContact N-OH 2.98Å; H526-Y542 AromaticContact ND1-CE1 3.59Å; H526-Y542 AromaticContact ND1-CZ 3.6Å; H526-Y542 PolarHBondContact ND1-OH 2.97Å
527T92.2Very high88.6Confident1 Ų147.4 Ų47.41%0.00623%0.228CC..Hα-helixtrans-63.4-45.5178.6-57.40000112.5Y500 V503 E504 N523 V524 G525 M530 Q531Y500-T527 WeakPolarHBondContact O-CG2 3.48Å; V503-T527 HydrophobicContact CB-CG2 3.82Å; V503-T527 HydrophobicContact CG1-CG2 3.73Å; V503-T527 VanDerWaalsContact CG1-OG1 3.26Å; V503-T527 WeakPolarHBondContact CG1-OG1 3.28Å; E504-T527 HydrophobicContact CB-CG2 4.01Å; N523-T527 WeakPolarHBondContact O-CB 3.36Å; N523-T527 PolarHBondContact O-N 3.06Å; N523-T527 PolarHBondContact O-OG1 3.49Å; V524-T527 WeakPolarHBondContact O-CB 3.43Å; V524-T527 PolarHBondContact O-N 3.12Å; V524-T527 VanDerWaalsContact O-N 3.09Å; G525-T527 VanDerWaalsContact C-N 3.35Å; G525-T527 PolarHBondContact O-N 2.74Å; T527-M530 PolarHBondContact O-N 3.41Å; T527-Q531 WeakPolarHBondContact O-CG 3.27Å; T527-Q531 PolarHBondContact O-N 3.35Å
528L92.9Very high89.1Confident5 Ų543.7 Ų43.73%0.02621%0.213CC..Hα-helixtrans-68.6-37.9178.5-63.5173.8000111.6E504 V524 G525 Q531 K534 E537 A538 F541E504-L528 HydrophobicContact CG-CD2 4.26Å; V524-L528 HydrophobicContact CG1-CD1 3.8Å; V524-L528 HydrophobicContact CG1-CG 4.18Å; V524-L528 WeakPolarHBondContact O-CG 3.49Å; V524-L528 PolarHBondContact O-N 2.8Å; G525-L528 PolarHBondContact O-N 3.41Å; L528-Q531 PolarHBondContact O-N 3.24Å; L528-K534 HydrophobicContact CB-CB 4.23Å; L528-K534 HydrophobicContact CD2-CB 4.42Å; L528-K534 HydrophobicContact CD2-CD 3.59Å; L528-E537 HydrophobicContact CD1-CB 3.94Å; L528-A538 HydrophobicContact CB-CB 4Å; L528-F541 HydrophobicContact CD1-CD2 3.74Å; L528-F541 HydrophobicContact CD1-CE2 3.63Å
529F89.5Confident89.6Confident6 Ų639 Ų393%0.02619%0.189CC..Hα-helixtrans-59.1-47.4174.4-178.6-95.8000111.5G525 H526 Q531 Q532 Y535 A538 Y542 N556 V559G525-F529 VanDerWaalsContact O-CB 3.24Å; G525-F529 WeakPolarHBondContact O-CB 3.48Å; G525-F529 PolarHBondContact O-N 3.35Å; H526-F529 PolarHBondContact O-N 3.22Å; F529-Q531 PolarHBondContact O-N 3.27Å; F529-Q532 PolarHBondContact O-N 3.34Å; F529-Q532 VanDerWaalsContact O-N 3.07Å; F529-Y535 HydrophobicContact CD2-CD1 4.07Å; F529-Y535 HydrophobicContact CD2-CE1 4.21Å; F529-Y535 HydrophobicContact CE2-CD1 4.29Å; F529-Y535 HydrophobicContact CE2-CE1 4.23Å; F529-A538 HydrophobicContact CB-CB 4.12Å; F529-Y542 HydrophobicContact CB-CE2 4.48Å; F529-Y542 HydrophobicContact CD2-CE2 4.47Å; F529-N556 HydrophobicContact CD2-CB 4.2Å; F529-N556 HydrophobicContact CE2-CB 4.05Å; F529-N556 HydrophobicContact CZ-CB 4.24Å; F529-V559 HydrophobicContact CE2-CB 3.97Å; F529-V559 HydrophobicContact CE2-CG1 3.71Å; F529-V559 HydrophobicContact CZ-CB 4.15Å; F529-V559 HydrophobicContact CZ-CG1 3.8Å
530M88.2Confident90.3Very high32 Ų3239.4 Ų39.416%0.15820%0.196CC..Hα-helixtrans-68.7-16.4-179.4-70.7-57.6-74.100114.3W495 Y500 H526 T527 Q532W495-M530 HydrophobicContact CH2-CB 4.15Å; W495-M530 HydrophobicContact CH2-CG 3.32Å; W495-M530 HydrophobicContact CZ2-CG 3.89Å; W495-M530 HydrophobicContact CZ3-CB 4.39Å; W495-M530 HydrophobicContact CZ3-CG 4.03Å; Y500-M530 HydrophobicContact CD1-CB 3.94Å; Y500-M530 HydrophobicContact CD2-CB 4.22Å; Y500-M530 HydrophobicContact CE1-CB 3.96Å; Y500-M530 HydrophobicContact CE1-CE 4.39Å; Y500-M530 HydrophobicContact CE1-CG 4.31Å; Y500-M530 HydrophobicContact CE2-CB 4.23Å; Y500-M530 HydrophobicContact CE2-CE 4.45Å; Y500-M530 HydrophobicContact CG-CB 4.08Å; Y500-M530 WeakPolarHBondContact OH-CE 3.15Å; H526-M530 WeakPolarHBondContact O-CG 3.39Å; H526-M530 PolarHBondContact O-N 3.17Å; T527-M530 PolarHBondContact O-N 3.41Å; M530-Q532 PolarHBondContact O-N 3.06Å
531Q90.5Very high90.4Very high33 Ų3341.3 Ų41.315%0.15421%0.205CC..THydrogen-bonded Turntrans-76.9-4.6172.3-70.5-173.130.300113.9Y500 E504 T527 L528 F529 T533Y500-Q531 PolarHBondContact O-NE2 3.33Å; E504-Q531 PolarHBondContact OE2-NE2 3.05Å; E504-Q531 PolarHBondContact OE2-OE1 2.9Å; T527-Q531 WeakPolarHBondContact O-CG 3.27Å; T527-Q531 PolarHBondContact O-N 3.35Å; L528-Q531 PolarHBondContact O-N 3.24Å; F529-Q531 PolarHBondContact O-N 3.27Å; Q531-T533 PolarHBondContact O-N 3.4Å; Q531-T533 PolarHBondContact O-OG1 3.32Å; Q531-T533 VanDerWaalsContact O-OG1 3.06Å
532Q85.2Confident90.4Very high136 Ų13639.4 Ų39.464%0.63620%0.197SC*.SBendtrans58.56.4172.7-61.3-179.9-9.200117F529 M530 Y535F529-Q532 PolarHBondContact O-N 3.34Å; F529-Q532 VanDerWaalsContact O-N 3.07Å; M530-Q532 PolarHBondContact O-N 3.06Å; Q532-Y535 VanDerWaalsContact CA-OH 3.23Å; Q532-Y535 WeakPolarHBondContact CA-OH 3.43Å; Q532-Y535 WeakPolarHBondContact CB-OH 3.39Å; Q532-Y535 WeakPolarHBondContact O-CE2 3.29Å; Q532-Y535 PolarHBondContact O-OH 3.2Å
533T88.4Confident90.5Very high112 Ų11243.3 Ų43.369%0.68721%0.214SC*.SBendtrans-126.4-11.9-174.847.40000112.6Q531Q531-T533 PolarHBondContact O-N 3.4Å; Q531-T533 PolarHBondContact O-OG1 3.32Å; Q531-T533 VanDerWaalsContact O-OG1 3.06Å
534K91.7Very high90.4Very high48 Ų4847.2 Ų47.221%0.20924%0.238CC..  trans-118.734.3-170.4-61.8-176.4176.1177.30113.1E504 L528 K536 E537 A538E504-K534 IonicContact OE1-NZ 3.77Å; E504-K534 PolarHBondContact OE1-NZ 2.87Å; E504-K534 IonicContact OE2-NZ 3.16Å; E504-K534 PolarHBondContact OE2-NZ 3.17Å; L528-K534 HydrophobicContact CB-CB 4.23Å; L528-K534 HydrophobicContact CD2-CB 4.42Å; L528-K534 HydrophobicContact CD2-CD 3.59Å; K534-K536 PolarHBondContact O-N 3.42Å; K534-E537 HydrophobicContact CB-CB 4.47Å; K534-E537 PolarHBondContact O-N 3.42Å; K534-E537 VanDerWaalsContact O-N 3.1Å; K534-A538 PolarHBondContact O-N 3.48Å
535Y90.4Very high89.5Confident42 Ų4247.7 Ų47.717%0.16524%0.24CC..Hα-helixtrans-58.5-33.8-176-59.6-64.4000113.9F529 Q532 A538 A539 L563F529-Y535 HydrophobicContact CD2-CD1 4.07Å; F529-Y535 HydrophobicContact CD2-CE1 4.21Å; F529-Y535 HydrophobicContact CE2-CD1 4.29Å; F529-Y535 HydrophobicContact CE2-CE1 4.23Å; Q532-Y535 VanDerWaalsContact CA-OH 3.23Å; Q532-Y535 WeakPolarHBondContact CA-OH 3.43Å; Q532-Y535 WeakPolarHBondContact CB-OH 3.39Å; Q532-Y535 WeakPolarHBondContact O-CE2 3.29Å; Q532-Y535 PolarHBondContact O-OH 3.2Å; Y535-A538 PolarHBondContact O-N 3.22Å; Y535-A539 VanDerWaalsContact O-CB 3.32Å; Y535-A539 WeakPolarHBondContact O-CB 3.26Å; Y535-A539 PolarHBondContact O-N 3.24Å; Y535-L563 HydrophobicContact CD1-CD1 3.85Å; Y535-L563 HydrophobicContact CD2-CB 4.13Å; Y535-L563 HydrophobicContact CD2-CD1 4.05Å; Y535-L563 HydrophobicContact CE1-CD1 3.45Å; Y535-L563 VanDerWaalsContact CE1-CD1 3.45Å; Y535-L563 HydrophobicContact CE2-CB 4.38Å; Y535-L563 HydrophobicContact CE2-CD1 3.66Å; Y535-L563 HydrophobicContact CG-CB 4.34Å; Y535-L563 HydrophobicContact CG-CD1 4.13Å
536K93.6Very high88.5Confident170 Ų17052.2 Ų52.274%0.73927%0.268SS*.Hα-helixtrans-65.3-41.6176.6-171.9178.1179.4-177.80112.6K534 G540 M564K534-K536 PolarHBondContact O-N 3.42Å; K536-G540 PolarHBondContact O-N 2.99Å; K536-M564 WeakPolarHBondContact CA-SD 3.24Å; K536-M564 HydrophobicContact CB-SD 3.63Å; K536-M564 HydrophobicContact CG-SD 3.96Å
537E94.1Very high87Confident107 Ų10755.6 Ų55.650%0.529%0.286SS..Hα-helixtrans-71.1-43177.4-65163.5-149.400110.2L528 K534 A539 G540 F541L528-E537 HydrophobicContact CD1-CB 3.94Å; K534-E537 HydrophobicContact CB-CB 4.47Å; K534-E537 PolarHBondContact O-N 3.42Å; K534-E537 VanDerWaalsContact O-N 3.1Å; E537-A539 VanDerWaalsContact C-N 3.35Å; E537-A539 PolarHBondContact O-N 3.48Å; E537-G540 PolarHBondContact O-N 3.45Å; E537-G540 VanDerWaalsContact O-N 3.14Å; E537-F541 WeakPolarHBondContact O-CD2 3.39Å; E537-F541 PolarHBondContact O-N 3.47Å
538A91.5Very high85.4Confident0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-58.6-44.3175.100000112.2L528 F529 K534 Y535 G540 F541 Y542L528-A538 HydrophobicContact CB-CB 4Å; F529-A538 HydrophobicContact CB-CB 4.12Å; K534-A538 PolarHBondContact O-N 3.48Å; Y535-A538 PolarHBondContact O-N 3.22Å; A538-G540 VanDerWaalsContact C-N 3.32Å; A538-G540 PolarHBondContact O-N 3.11Å; A538-F541 PolarHBondContact O-N 3.34Å; A538-Y542 HydrophobicContact CB-CE2 4.27Å; A538-Y542 VanDerWaalsContact O-CD2 3.23Å; A538-Y542 WeakPolarHBondContact O-CD2 3.45Å; A538-Y542 PolarHBondContact O-N 3.02Å; A538-Y542 VanDerWaalsContact O-N 3.07Å
539A92.1Very high83.9Confident2 Ų258.6 Ų58.62%0.01730%0.304CS..Hα-helixtrans-57.7-44.8174.200000111.6Y535 E537 F541 Y542 E543 L557 C560 M564Y535-A539 VanDerWaalsContact O-CB 3.32Å; Y535-A539 WeakPolarHBondContact O-CB 3.26Å; Y535-A539 PolarHBondContact O-N 3.24Å; E537-A539 VanDerWaalsContact C-N 3.35Å; E537-A539 PolarHBondContact O-N 3.48Å; A539-F541 VanDerWaalsContact C-N 3.28Å; A539-F541 PolarHBondContact O-N 3.32Å; A539-Y542 PolarHBondContact O-N 3.24Å; A539-Y542 VanDerWaalsContact O-N 3.13Å; A539-E543 WeakPolarHBondContact O-CB 3.23Å; A539-E543 VanDerWaalsContact O-CG 3.28Å; A539-E543 WeakPolarHBondContact O-CG 3.41Å; A539-E543 PolarHBondContact O-N 3.28Å; A539-L557 HydrophobicContact CB-CD1 4Å; A539-C560 HydrophobicContact CB-CB 3.88Å; A539-M564 HydrophobicContact CB-CE 3.7Å
540G92.7Very high83.1Confident31 Ų3161 Ų6132%0.3232%0.321SS..Hα-helixtrans-56.5-40.1177.300000113K536 E537 A538 T544K536-G540 PolarHBondContact O-N 2.99Å; E537-G540 PolarHBondContact O-N 3.45Å; E537-G540 VanDerWaalsContact O-N 3.14Å; A538-G540 VanDerWaalsContact C-N 3.32Å; A538-G540 PolarHBondContact O-N 3.11Å; G540-T544 WeakPolarHBondContact O-CG2 3.48Å
541F90.5Very high82.7Confident55 Ų5560 Ų6024%0.24132%0.318CS..Hα-helixtrans-67.3-47.2174-78.2-76.2000112.3W520 K521 V524 L528 E537 A538 A539 E543 T544W520-F541 AromaticContact CZ3-CE1 3.84Å; W520-F541 HydrophobicContact CZ3-CE1 3.84Å; W520-F541 HydrophobicContact CZ3-CZ 4.41Å; K521-F541 HydrophobicContact CB-CD1 4.04Å; K521-F541 HydrophobicContact CG-CD1 4.27Å; V524-F541 HydrophobicContact CB-CD1 4.45Å; V524-F541 HydrophobicContact CB-CE1 4.34Å; V524-F541 HydrophobicContact CB-CZ 4.37Å; V524-F541 HydrophobicContact CG1-CD1 4.47Å; V524-F541 HydrophobicContact CG1-CD2 4Å; V524-F541 HydrophobicContact CG1-CE1 4.11Å; V524-F541 HydrophobicContact CG1-CE2 3.59Å; V524-F541 HydrophobicContact CG1-CG 4.43Å; V524-F541 HydrophobicContact CG1-CZ 3.65Å; L528-F541 HydrophobicContact CD1-CD2 3.74Å; L528-F541 HydrophobicContact CD1-CE2 3.63Å; E537-F541 WeakPolarHBondContact O-CD2 3.39Å; E537-F541 PolarHBondContact O-N 3.47Å; A538-F541 PolarHBondContact O-N 3.34Å; A539-F541 VanDerWaalsContact C-N 3.28Å; A539-F541 PolarHBondContact O-N 3.32Å; F541-E543 VanDerWaalsContact C-N 3.33Å; F541-E543 PolarHBondContact O-N 3.43Å; F541-T544 PolarHBondContact O-N 2.85Å; F541-T544 PolarHBondContact O-OG1 3.18Å
542Y88.9Confident82.3Confident2 Ų258.8 Ų58.81%0.00831%0.313CS..Hα-helixtrans-65.1-33.9-180-61.5-41.4000113.2G525 H526 F529 A538 A539 T544 L545 V553 N556 L557G525-Y542 VanDerWaalsContact C-OH 3.29Å; G525-Y542 PolarHBondContact O-OH 2.97Å; H526-Y542 WeakPolarHBondContact CA-OH 3.43Å; H526-Y542 AromaticContact CE1-CE1 3.81Å; H526-Y542 PolarHBondContact N-OH 2.98Å; H526-Y542 AromaticContact ND1-CE1 3.59Å; H526-Y542 AromaticContact ND1-CZ 3.6Å; H526-Y542 PolarHBondContact ND1-OH 2.97Å; F529-Y542 HydrophobicContact CB-CE2 4.48Å; F529-Y542 HydrophobicContact CD2-CE2 4.47Å; A538-Y542 HydrophobicContact CB-CE2 4.27Å; A538-Y542 VanDerWaalsContact O-CD2 3.23Å; A538-Y542 WeakPolarHBondContact O-CD2 3.45Å; A538-Y542 PolarHBondContact O-N 3.02Å; A538-Y542 VanDerWaalsContact O-N 3.07Å; A539-Y542 PolarHBondContact O-N 3.24Å; A539-Y542 VanDerWaalsContact O-N 3.13Å; Y542-T544 PolarHBondContact O-N 3.07Å; Y542-L545 HydrophobicContact CD1-CD1 4.35Å; Y542-L545 WeakPolarHBondContact O-CB 3.39Å; Y542-L545 PolarHBondContact O-N 3.13Å; Y542-V553 HydrophobicContact CD1-CG1 3.71Å; Y542-V553 HydrophobicContact CE1-CG1 4.38Å; Y542-V553 HydrophobicContact CG-CG1 4.15Å; Y542-N556 HydrophobicContact CD2-CB 4.41Å; Y542-N556 HydrophobicContact CE2-CB 3.63Å; Y542-N556 PolarHBondContact OH-ND2 3.34Å; Y542-L557 HydrophobicContact CD2-CB 4.24Å; Y542-L557 HydrophobicContact CG-CB 4.49Å
543E89Confident82.2Confident104 Ų10452.4 Ų52.449%0.48628%0.283SS..Hα-helixtrans-64.7-27.3176.8-77.3175.9170.100113.1A539 F541 L545 L557 Y561A539-E543 WeakPolarHBondContact O-CB 3.23Å; A539-E543 VanDerWaalsContact O-CG 3.28Å; A539-E543 WeakPolarHBondContact O-CG 3.41Å; A539-E543 PolarHBondContact O-N 3.28Å; F541-E543 VanDerWaalsContact C-N 3.33Å; F541-E543 PolarHBondContact O-N 3.43Å; E543-L545 PolarHBondContact O-N 3.43Å; E543-L557 HydrophobicContact CG-CD1 4.07Å; E543-L557 HydrophobicContact CG-CD2 4.41Å; E543-Y561 WeakPolarHBondContact CG-OH 3.41Å; E543-Y561 VanDerWaalsContact OE1-CE1 3.23Å; E543-Y561 WeakPolarHBondContact OE1-CE1 3.5Å; E543-Y561 VanDerWaalsContact OE1-CZ 3.31Å; E543-Y561 PolarHBondContact OE1-OH 2.89Å
544T85.4Confident82.1Confident82 Ų8247.3 Ų47.350%0.50325%0.251SS..THydrogen-bonded Turntrans-73.5-15174.266.70000113.1G540 F541 Y542G540-T544 WeakPolarHBondContact O-CG2 3.48Å; F541-T544 PolarHBondContact O-N 2.85Å; F541-T544 PolarHBondContact O-OG1 3.18Å; Y542-T544 PolarHBondContact O-N 3.07Å
545L74.7Confident81.8Confident21 Ų2145 Ų4511%0.1124%0.241CC..SBendtrans-87.9145.8178.9-54.6174.7000109.5D518 K521 L522 Y542 E543 V553D518-L545 HydrophobicContact CB-CD2 4.04Å; K521-L545 HydrophobicContact CB-CD2 4.48Å; L522-L545 HydrophobicContact CB-CD1 3.97Å; L522-L545 HydrophobicContact CD1-CD1 4.08Å; L522-L545 HydrophobicContact CG-CD1 4.36Å; Y542-L545 HydrophobicContact CD1-CD1 4.35Å; Y542-L545 WeakPolarHBondContact O-CB 3.39Å; Y542-L545 PolarHBondContact O-N 3.13Å; E543-L545 PolarHBondContact O-N 3.43Å; L545-V553 HydrophobicContact CD1-CG1 3.9Å
546T68.1Low81.7Confident94 Ų9443.2 Ų43.258%0.57723%0.234SC*.  trans-69.2159.6-178.952.80000111.3D548 S549T546-D548 PolarHBondContact O-N 2.95Å; T546-S549 VanDerWaalsContact O-CB 3.24Å; T546-S549 WeakPolarHBondContact O-CB 3.38Å; T546-S549 PolarHBondContact O-N 3.39Å; T546-S549 PolarHBondContact O-OG 3.5Å
547L58.1Low81.5Confident85 Ų8535.6 Ų35.645%0.44520%0.202SC..THydrogen-bonded Turntrans-59.3-15.4173-71.4168.5000113.2S549 L554 L573L547-S549 PolarHBondContact O-N 3.18Å; L547-L554 HydrophobicContact CD2-CD2 4.27Å; L547-L573 HydrophobicContact CD2-CD1 3.38Å
548D57Low81.3Confident53 Ų5330.5 Ų30.528%0.28318%0.178SC..THydrogen-bonded Turntrans-75.4-3.7174.6-55.513.2000112.8S283 P284 W285 T546S283-D548 PolarHBondContact OG-OD2 3.43Å; P284-D548 HydrophobicContact CG-CB 4.26Å; W285-D548 VanDerWaalsContact CD1-OD2 3.31Å; W285-D548 PolarHBondContact NE1-OD1 3.43Å; T546-D548 PolarHBondContact O-N 2.95Å
549S62.2Low81.1Confident16 Ų1630.6 Ų30.611%0.11218%0.178CC..SBendtrans-69.8157.9178.751.60000111.8T546 L547T546-S549 VanDerWaalsContact O-CB 3.24Å; T546-S549 WeakPolarHBondContact O-CB 3.38Å; T546-S549 PolarHBondContact O-N 3.39Å; T546-S549 PolarHBondContact O-OG 3.5Å; L547-S549 PolarHBondContact O-N 3.18Å
550S73.6Confident81Confident56 Ų5630.5 Ų30.539%0.39218%0.178SC..  trans-56.5151.2-169.485.20000112.2I552 V553 L554S550-I552 PolarHBondContact O-N 3.37Å; S550-I552 WeakPolarHBondContact OG-CG2 3.02Å; S550-V553 WeakPolarHBondContact O-CB 3.31Å; S550-V553 PolarHBondContact O-N 3.01Å; S550-L554 PolarHBondContact O-N 2.8Å
551A79.3Confident80.9Confident12 Ų1230.4 Ų30.410%0.09917%0.168CC..Hα-helixtrans-50.2-32.1-179.700000114.2A555 H595 I598A551-A555 VanDerWaalsContact O-CB 3.24Å; A551-A555 WeakPolarHBondContact O-CB 3.46Å; A551-A555 PolarHBondContact O-N 3.27Å; A551-H595 VanDerWaalsContact CA-CD2 3.49Å; A551-H595 WeakPolarHBondContact CA-CD2 3.43Å; A551-H595 HydrophobicContact CB-CB 4.26Å; A551-I598 HydrophobicContact CB-CB 3.88Å; A551-I598 HydrophobicContact CB-CD1 3.5Å; A551-I598 HydrophobicContact CB-CG1 4.28Å; A551-I598 HydrophobicContact CB-CG2 3.87Å
552I80.8Confident80.8Confident7 Ų729.2 Ų29.24%0.03616%0.164CC..Hα-helixtrans-72.2-31.7177.8-167.662.2000112.8S550 A555 N556 V602 L635 Q638S550-I552 PolarHBondContact O-N 3.37Å; S550-I552 WeakPolarHBondContact OG-CG2 3.02Å; I552-A555 HydrophobicContact CD1-CB 4.45Å; I552-A555 PolarHBondContact O-N 3.24Å; I552-N556 WeakPolarHBondContact O-CB 3Å; I552-N556 PolarHBondContact O-N 3.04Å; I552-N556 PolarHBondContact O-ND2 2.94Å; I552-V602 HydrophobicContact CD1-CG2 3.91Å; I552-L635 HydrophobicContact CD1-CB 4.26Å; I552-L635 VanDerWaalsContact CD1-O 3.32Å; I552-L635 WeakPolarHBondContact CD1-O 3.41Å; I552-L635 WeakPolarHBondContact CG1-O 3.32Å; I552-Q638 VanDerWaalsContact CG2-OE1 3.32Å
553V83.9Confident80.7Confident1 Ų132.3 Ų32.31%0.00618%0.18CC..Hα-helixtrans-64.7-50.4176.2176.20000109.6L522 Y542 L545 S550 A555 N556 L557L522-V553 HydrophobicContact CD1-CG2 3.38Å; L522-V553 HydrophobicContact CG-CG2 4.11Å; Y542-V553 HydrophobicContact CD1-CG1 3.71Å; Y542-V553 HydrophobicContact CE1-CG1 4.38Å; Y542-V553 HydrophobicContact CG-CG1 4.15Å; L545-V553 HydrophobicContact CD1-CG1 3.9Å; S550-V553 WeakPolarHBondContact O-CB 3.31Å; S550-V553 PolarHBondContact O-N 3.01Å; V553-A555 VanDerWaalsContact C-N 3.29Å; V553-A555 PolarHBondContact O-N 3.17Å; V553-N556 PolarHBondContact O-N 3.43Å; V553-L557 WeakPolarHBondContact O-CB 2.91Å; V553-L557 PolarHBondContact O-N 3.46Å
554L86.9Confident80.7Confident5 Ų529.8 Ų29.83%0.02617%0.169CC..Hα-helixtrans-61.6-40.4177-59.5178.9000111.3L547 S550 L557 C558 L573 V577 I599L547-L554 HydrophobicContact CD2-CD2 4.27Å; S550-L554 PolarHBondContact O-N 2.8Å; L554-L557 PolarHBondContact O-N 2.93Å; L554-C558 PolarHBondContact O-N 3.38Å; L554-C558 PolarHBondContact O-SG 2.9Å; L554-C558 VanDerWaalsContact O-SG 3.41Å; L554-L573 HydrophobicContact CD2-CD1 4.34Å; L554-V577 HydrophobicContact CD1-CG2 3.79Å; L554-I599 HydrophobicContact CB-CD1 3.84Å; L554-I599 HydrophobicContact CB-CG1 4.2Å; L554-I599 HydrophobicContact CD1-CD1 4.49Å
555A85.6Confident80.9Confident0 Ų032.6 Ų32.60%018%0.181CC..Hα-helixtrans-61.9-49.2176.400000111.9A551 I552 V553 L557 C558 V559 I598 I599 V602A551-A555 VanDerWaalsContact O-CB 3.24Å; A551-A555 WeakPolarHBondContact O-CB 3.46Å; A551-A555 PolarHBondContact O-N 3.27Å; I552-A555 HydrophobicContact CD1-CB 4.45Å; I552-A555 PolarHBondContact O-N 3.24Å; V553-A555 VanDerWaalsContact C-N 3.29Å; V553-A555 PolarHBondContact O-N 3.17Å; A555-L557 VanDerWaalsContact C-N 3.32Å; A555-L557 PolarHBondContact O-N 3.19Å; A555-C558 WeakPolarHBondContact O-CB 3.42Å; A555-C558 PolarHBondContact O-N 3.37Å; A555-V559 VanDerWaalsContact O-CG2 3.27Å; A555-V559 WeakPolarHBondContact O-CG2 3.48Å; A555-V559 PolarHBondContact O-N 2.92Å; A555-I598 HydrophobicContact CB-CG2 4.45Å; A555-I599 HydrophobicContact CB-CB 4.38Å; A555-I599 HydrophobicContact CB-CG1 3.99Å; A555-V602 HydrophobicContact CB-CB 3.87Å; A555-V602 HydrophobicContact CB-CG1 4.12Å; A555-V602 HydrophobicContact CB-CG2 3.93Å
556N87.6Confident81.6Confident4 Ų436 Ų362%0.02120%0.196CC..Hα-helixtrans-65.5-35.4178.5-71.6-14.3000111.8F529 Y542 I552 V553 V559 C560F529-N556 HydrophobicContact CD2-CB 4.2Å; F529-N556 HydrophobicContact CE2-CB 4.05Å; F529-N556 HydrophobicContact CZ-CB 4.24Å; Y542-N556 HydrophobicContact CD2-CB 4.41Å; Y542-N556 HydrophobicContact CE2-CB 3.63Å; Y542-N556 PolarHBondContact OH-ND2 3.34Å; I552-N556 WeakPolarHBondContact O-CB 3Å; I552-N556 PolarHBondContact O-N 3.04Å; I552-N556 PolarHBondContact O-ND2 2.94Å; V553-N556 PolarHBondContact O-N 3.43Å; N556-V559 PolarHBondContact O-N 3.3Å; N556-C560 PolarHBondContact O-N 2.99Å; N556-C560 PolarHBondContact O-SG 2.81Å
557L90.5Very high82.6Confident11 Ų1135.4 Ų35.46%0.05819%0.19CC..Hα-helixtrans-64.4-45.5173.3179.455.5000111.6A539 Y542 E543 V553 L554 A555 V559 C560 Y561 L573A539-L557 HydrophobicContact CB-CD1 4Å; Y542-L557 HydrophobicContact CD2-CB 4.24Å; Y542-L557 HydrophobicContact CG-CB 4.49Å; E543-L557 HydrophobicContact CG-CD1 4.07Å; E543-L557 HydrophobicContact CG-CD2 4.41Å; V553-L557 WeakPolarHBondContact O-CB 2.91Å; V553-L557 PolarHBondContact O-N 3.46Å; L554-L557 PolarHBondContact O-N 2.93Å; A555-L557 VanDerWaalsContact C-N 3.32Å; A555-L557 PolarHBondContact O-N 3.19Å; L557-V559 VanDerWaalsContact C-N 3.29Å; L557-V559 PolarHBondContact O-N 3.31Å; L557-C560 WeakPolarHBondContact O-CB 3.45Å; L557-C560 PolarHBondContact O-N 3.5Å; L557-C560 VanDerWaalsContact O-N 3.17Å; L557-Y561 HydrophobicContact CD1-CD2 4.28Å; L557-Y561 HydrophobicContact CD1-CE1 4.05Å; L557-Y561 HydrophobicContact CD1-CE2 3.78Å; L557-Y561 HydrophobicContact CD2-CE2 4.2Å; L557-Y561 HydrophobicContact CG-CD2 4.19Å; L557-Y561 HydrophobicContact CG-CE2 3.71Å; L557-Y561 PolarHBondContact O-N 3.47Å; L557-L573 HydrophobicContact CB-CD2 4.24Å; L557-L573 HydrophobicContact CD2-CD2 3.74Å; L557-L573 HydrophobicContact CG-CD2 3.86Å
558C89.3Confident84.1Confident0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-56.5-44.8172.2-75.10000111.5L554 A555 Y561 I562 A570 I599 I603L554-C558 PolarHBondContact O-N 3.38Å; L554-C558 PolarHBondContact O-SG 2.9Å; L554-C558 VanDerWaalsContact O-SG 3.41Å; A555-C558 WeakPolarHBondContact O-CB 3.42Å; A555-C558 PolarHBondContact O-N 3.37Å; C558-Y561 PolarHBondContact O-N 3.37Å; C558-I562 VanDerWaalsContact O-CG1 3.29Å; C558-I562 WeakPolarHBondContact O-CG1 3.39Å; C558-I562 PolarHBondContact O-N 3.48Å; C558-A570 HydrophobicContact CB-CB 4.46Å; C558-I599 HydrophobicContact CB-CG2 4.31Å; C558-I603 HydrophobicContact CB-CD1 3.73Å; C558-I603 HydrophobicContact CB-CG1 4.17Å
559V87.8Confident85.6Confident1 Ų138.7 Ų38.71%0.00621%0.207CC..Hα-helixtrans-60.8-45.6176173.20000111.2F529 A555 N556 L557 Y561 I562 L563 V602 I603 E606F529-V559 HydrophobicContact CE2-CB 3.97Å; F529-V559 HydrophobicContact CE2-CG1 3.71Å; F529-V559 HydrophobicContact CZ-CB 4.15Å; F529-V559 HydrophobicContact CZ-CG1 3.8Å; A555-V559 VanDerWaalsContact O-CG2 3.27Å; A555-V559 WeakPolarHBondContact O-CG2 3.48Å; A555-V559 PolarHBondContact O-N 2.92Å; N556-V559 PolarHBondContact O-N 3.3Å; L557-V559 VanDerWaalsContact C-N 3.29Å; L557-V559 PolarHBondContact O-N 3.31Å; V559-Y561 VanDerWaalsContact C-N 3.32Å; V559-Y561 PolarHBondContact O-N 3.5Å; V559-I562 PolarHBondContact O-N 3.3Å; V559-L563 HydrophobicContact CG1-CD1 3.61Å; V559-L563 HydrophobicContact CG1-CG 4.09Å; V559-L563 WeakPolarHBondContact O-CB 3.45Å; V559-L563 WeakPolarHBondContact O-CG 3.32Å; V559-L563 PolarHBondContact O-N 3.31Å; V559-V602 HydrophobicContact CG2-CG1 3.82Å; V559-I603 HydrophobicContact CG2-CG1 4.25Å; V559-E606 HydrophobicContact CG1-CB 4.31Å; V559-E606 HydrophobicContact CG1-CG 3.71Å; V559-E606 HydrophobicContact CG2-CG 4.18Å
560C89.8Confident86.8Confident0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-56.2-47.5175.9-72.60000111.2A539 N556 L557 I562 L563 M564A539-C560 HydrophobicContact CB-CB 3.88Å; N556-C560 PolarHBondContact O-N 2.99Å; N556-C560 PolarHBondContact O-SG 2.81Å; L557-C560 WeakPolarHBondContact O-CB 3.45Å; L557-C560 PolarHBondContact O-N 3.5Å; L557-C560 VanDerWaalsContact O-N 3.17Å; C560-I562 PolarHBondContact O-N 3.48Å; C560-L563 PolarHBondContact O-N 3.01Å; C560-M564 HydrophobicContact CB-CE 4.26Å; C560-M564 WeakPolarHBondContact O-CB 3.08Å; C560-M564 WeakPolarHBondContact O-CE 3.26Å; C560-M564 WeakPolarHBondContact O-CG 3.42Å; C560-M564 PolarHBondContact O-N 3.35Å
561Y89.9Confident87.4Confident29 Ų2940.2 Ų40.211%0.11421%0.207CC..Hα-helixtrans-59.8-45.4177.5-72.4-34.7000112.4E543 L557 C558 V559 M564 N565 Q566 A569 A570 L573E543-Y561 WeakPolarHBondContact CG-OH 3.41Å; E543-Y561 VanDerWaalsContact OE1-CE1 3.23Å; E543-Y561 WeakPolarHBondContact OE1-CE1 3.5Å; E543-Y561 VanDerWaalsContact OE1-CZ 3.31Å; E543-Y561 PolarHBondContact OE1-OH 2.89Å; L557-Y561 HydrophobicContact CD1-CD2 4.28Å; L557-Y561 HydrophobicContact CD1-CE1 4.05Å; L557-Y561 HydrophobicContact CD1-CE2 3.78Å; L557-Y561 HydrophobicContact CD2-CE2 4.2Å; L557-Y561 HydrophobicContact CG-CD2 4.19Å; L557-Y561 HydrophobicContact CG-CE2 3.71Å; L557-Y561 PolarHBondContact O-N 3.47Å; C558-Y561 PolarHBondContact O-N 3.37Å; V559-Y561 VanDerWaalsContact C-N 3.32Å; V559-Y561 PolarHBondContact O-N 3.5Å; Y561-M564 HydrophobicContact CD1-CE 3.86Å; Y561-M564 HydrophobicContact CE1-CE 4.43Å; Y561-M564 CarbonylContact O-C 3.48Å; Y561-M564 PolarHBondContact O-N 3.45Å; Y561-N565 PolarHBondContact O-N 2.79Å; Y561-Q566 HydrophobicContact CD1-CB 4.34Å; Y561-Q566 VanDerWaalsContact CD1-OE1 3.27Å; Y561-Q566 WeakPolarHBondContact O-CA 3.45Å; Y561-Q566 WeakPolarHBondContact O-CB 3.49Å; Y561-Q566 PolarHBondContact O-N 2.79Å; Y561-A569 HydrophobicContact CD1-CB 4.18Å; Y561-A569 HydrophobicContact CD2-CB 3.93Å; Y561-A569 HydrophobicContact CE1-CB 4.36Å; Y561-A569 HydrophobicContact CE2-CB 4.09Å; Y561-A569 HydrophobicContact CG-CB 3.98Å; Y561-A570 HydrophobicContact CD2-CB 4.48Å; Y561-L573 HydrophobicContact CE2-CD2 4.32Å
562I88.1Confident87.9Confident30 Ų3043.7 Ų43.715%0.15422%0.221CC..Hα-helixtrans-61.3-48.2178.1-67.8165.5000110.8C558 V559 C560 M564 N565 A570 I603C558-I562 VanDerWaalsContact O-CG1 3.29Å; C558-I562 WeakPolarHBondContact O-CG1 3.39Å; C558-I562 PolarHBondContact O-N 3.48Å; V559-I562 PolarHBondContact O-N 3.3Å; C560-I562 PolarHBondContact O-N 3.48Å; I562-M564 PolarHBondContact O-N 3.4Å; I562-N565 PolarHBondContact O-N 2.9Å; I562-A570 HydrophobicContact CD1-CB 4.39Å; I562-A570 HydrophobicContact CG1-CB 3.9Å; I562-I603 HydrophobicContact CD1-CB 4.49Å; I562-I603 HydrophobicContact CD1-CD1 4.08Å; I562-I603 HydrophobicContact CD1-CG1 4.02Å; I562-I603 HydrophobicContact CD1-CG2 3.69Å
563L86.6Confident88.3Confident68 Ų6844 Ų4436%0.35622%0.223SC..Hα-helixtrans-66.7-20179.9-66.8176.8000112.9Y535 V559 C560Y535-L563 HydrophobicContact CD1-CD1 3.85Å; Y535-L563 HydrophobicContact CD2-CB 4.13Å; Y535-L563 HydrophobicContact CD2-CD1 4.05Å; Y535-L563 HydrophobicContact CE1-CD1 3.45Å; Y535-L563 VanDerWaalsContact CE1-CD1 3.45Å; Y535-L563 HydrophobicContact CE2-CB 4.38Å; Y535-L563 HydrophobicContact CE2-CD1 3.66Å; Y535-L563 HydrophobicContact CG-CB 4.34Å; Y535-L563 HydrophobicContact CG-CD1 4.13Å; V559-L563 HydrophobicContact CG1-CD1 3.61Å; V559-L563 HydrophobicContact CG1-CG 4.09Å; V559-L563 WeakPolarHBondContact O-CB 3.45Å; V559-L563 WeakPolarHBondContact O-CG 3.32Å; V559-L563 PolarHBondContact O-N 3.31Å; C560-L563 PolarHBondContact O-N 3.01Å
564M90.2Very high88.4Confident50 Ų5045.9 Ų45.925%0.24623%0.232CC..THydrogen-bonded Turntrans-91.37.8171.4-67.9-171.6-63.700113.9K536 A539 C560 Y561 I562 Q566K536-M564 WeakPolarHBondContact CA-SD 3.24Å; K536-M564 HydrophobicContact CB-SD 3.63Å; K536-M564 HydrophobicContact CG-SD 3.96Å; A539-M564 HydrophobicContact CB-CE 3.7Å; C560-M564 HydrophobicContact CB-CE 4.26Å; C560-M564 WeakPolarHBondContact O-CB 3.08Å; C560-M564 WeakPolarHBondContact O-CE 3.26Å; C560-M564 WeakPolarHBondContact O-CG 3.42Å; C560-M564 PolarHBondContact O-N 3.35Å; Y561-M564 HydrophobicContact CD1-CE 3.86Å; Y561-M564 HydrophobicContact CE1-CE 4.43Å; Y561-M564 CarbonylContact O-C 3.48Å; Y561-M564 PolarHBondContact O-N 3.45Å; I562-M564 PolarHBondContact O-N 3.4Å; M564-Q566 HydrophobicContact CB-CG 4.27Å; M564-Q566 PolarHBondContact O-N 2.9Å
565N88.5Confident88.5Confident142 Ų14252.2 Ų52.276%0.75926%0.255SS*.THydrogen-bonded Turntrans58.728.2-173.7-64.9-49.9000114.5Y561 I562 N567Y561-N565 PolarHBondContact O-N 2.79Å; I562-N565 PolarHBondContact O-N 2.9Å; N565-N567 PolarHBondContact O-N 3.12Å
566Q90.1Very high88.7Confident91 Ų9156.8 Ų56.843%0.42528%0.276SS..  trans-100.551.7175.8-63.3-177.9-23.200110.7Y561 M564 E568 A569 A570Y561-Q566 HydrophobicContact CD1-CB 4.34Å; Y561-Q566 VanDerWaalsContact CD1-OE1 3.27Å; Y561-Q566 WeakPolarHBondContact O-CA 3.45Å; Y561-Q566 WeakPolarHBondContact O-CB 3.49Å; Y561-Q566 PolarHBondContact O-N 2.79Å; M564-Q566 HydrophobicContact CB-CG 4.27Å; M564-Q566 PolarHBondContact O-N 2.9Å; Q566-E568 VanDerWaalsContact C-N 3.27Å; Q566-E568 PolarHBondContact O-N 3.35Å; Q566-A569 HydrophobicContact CB-CB 4.24Å; Q566-A569 WeakPolarHBondContact O-CB 3.33Å; Q566-A569 PolarHBondContact O-N 3.48Å; Q566-A570 PolarHBondContact O-N 2.93Å
567N87.8Confident88.6Confident83 Ų8357.1 Ų57.144%0.44428%0.278SS..Hα-helixtrans-59.1-35.5-172.6-63.2-24.8000113.2N565 A569 A570 E571N565-N567 PolarHBondContact O-N 3.12Å; N567-A569 VanDerWaalsContact C-N 3.31Å; N567-A569 PolarHBondContact O-N 3.25Å; N567-A570 PolarHBondContact O-N 2.85Å; N567-E571 PolarHBondContact O-N 3.35Å
568E89.5Confident88.4Confident170 Ų17061.1 Ų61.179%0.79430%0.296SS*.Hα-helixtrans-63.6-35.5176.2-68.7-157.8169.900112.7Q566 E571 E572Q566-E568 VanDerWaalsContact C-N 3.27Å; Q566-E568 PolarHBondContact O-N 3.35Å; E568-E571 PolarHBondContact O-N 3.05Å; E568-E572 WeakPolarHBondContact O-CB 3.19Å; E568-E572 PolarHBondContact O-N 3.3Å
569A90.1Very high88.3Confident37 Ų3767.5 Ų67.531%0.30632%0.324SS..Hα-helixtrans-68-39.517700000111.4Y561 Q566 N567 E572 L573Y561-A569 HydrophobicContact CD1-CB 4.18Å; Y561-A569 HydrophobicContact CD2-CB 3.93Å; Y561-A569 HydrophobicContact CE1-CB 4.36Å; Y561-A569 HydrophobicContact CE2-CB 4.09Å; Y561-A569 HydrophobicContact CG-CB 3.98Å; Q566-A569 HydrophobicContact CB-CB 4.24Å; Q566-A569 WeakPolarHBondContact O-CB 3.33Å; Q566-A569 PolarHBondContact O-N 3.48Å; N567-A569 VanDerWaalsContact C-N 3.31Å; N567-A569 PolarHBondContact O-N 3.25Å; A569-E572 PolarHBondContact O-N 3.25Å; A569-L573 WeakPolarHBondContact O-CB 3.28Å; A569-L573 PolarHBondContact O-N 3.41Å
570A87.6Confident88Confident3 Ų369.9 Ų69.93%0.02534%0.335CS..Hα-helixtrans-63.6-46.3174.100000111.7C558 Y561 I562 Q566 N567 E572 L573 M574C558-A570 HydrophobicContact CB-CB 4.46Å; Y561-A570 HydrophobicContact CD2-CB 4.48Å; I562-A570 HydrophobicContact CD1-CB 4.39Å; I562-A570 HydrophobicContact CG1-CB 3.9Å; Q566-A570 PolarHBondContact O-N 2.93Å; N567-A570 PolarHBondContact O-N 2.85Å; A570-E572 PolarHBondContact O-N 2.9Å; A570-L573 PolarHBondContact O-N 3.3Å; A570-M574 WeakPolarHBondContact O-CG 3.31Å; A570-M574 PolarHBondContact O-N 2.97Å
571E85.8Confident87.7Confident101 Ų10171 Ų7147%0.47234%0.34SS..Hα-helixtrans-61.7-43.1176.9-77.8-171.6-164.900112.4N567 E568 L573 M574 R575N567-E571 PolarHBondContact O-N 3.35Å; E568-E571 PolarHBondContact O-N 3.05Å; E571-L573 VanDerWaalsContact C-N 3.33Å; E571-L573 PolarHBondContact O-N 2.7Å; E571-M574 PolarHBondContact O-N 3.24Å; E571-R575 WeakPolarHBondContact O-CG 3.31Å; E571-R575 PolarHBondContact O-N 3.09Å; E571-R575 IonicContact OE2-NH2 3.38Å; E571-R575 PolarHBondContact OE2-NH2 2.62Å
572E90.3Very high87.4Confident85 Ų8573.8 Ų73.840%0.39736%0.357SS..Hα-helixtrans-64.6-39.5178.5-178.859.1-161.400111.5E568 A569 A570 R575 K576E568-E572 WeakPolarHBondContact O-CB 3.19Å; E568-E572 PolarHBondContact O-N 3.3Å; A569-E572 PolarHBondContact O-N 3.25Å; A570-E572 PolarHBondContact O-N 2.9Å; E572-R575 PolarHBondContact O-N 2.97Å; E572-K576 WeakPolarHBondContact O-CG 3.27Å; E572-K576 PolarHBondContact O-N 3.46Å; E572-K576 VanDerWaalsContact OE1-CE 3.3Å; E572-K576 WeakPolarHBondContact OE1-CE 3.42Å
573L87.9Confident87.3Confident14 Ų1476.9 Ų76.97%0.07337%0.369CS..Hα-helixtrans-61.3-46.1173.1-179.557.2000111.3L547 L554 L557 Y561 A569 A570 E571 R575 K576 V577L547-L573 HydrophobicContact CD2-CD1 3.38Å; L554-L573 HydrophobicContact CD2-CD1 4.34Å; L557-L573 HydrophobicContact CB-CD2 4.24Å; L557-L573 HydrophobicContact CD2-CD2 3.74Å; L557-L573 HydrophobicContact CG-CD2 3.86Å; Y561-L573 HydrophobicContact CE2-CD2 4.32Å; A569-L573 WeakPolarHBondContact O-CB 3.28Å; A569-L573 PolarHBondContact O-N 3.41Å; A570-L573 PolarHBondContact O-N 3.3Å; E571-L573 VanDerWaalsContact C-N 3.33Å; E571-L573 PolarHBondContact O-N 2.7Å; L573-R575 PolarHBondContact O-N 3.5Å; L573-K576 WeakPolarHBondContact O-CB 3.46Å; L573-K576 PolarHBondContact O-N 3.13Å; L573-V577 WeakPolarHBondContact O-CG2 3.48Å; L573-V577 PolarHBondContact O-N 3.04Å
574M87.3Confident86.8Confident40 Ų4074 Ų7420%0.19735%0.354CS..Hα-helixtrans-62.3-42.7177.6-70.7175.467.600112.5A570 E571 K576 V577 E578 L596 I599 N600 I603A570-M574 WeakPolarHBondContact O-CG 3.31Å; A570-M574 PolarHBondContact O-N 2.97Å; E571-M574 PolarHBondContact O-N 3.24Å; M574-K576 VanDerWaalsContact C-N 3.3Å; M574-K576 PolarHBondContact O-N 3.18Å; M574-V577 PolarHBondContact O-N 3.04Å; M574-E578 WeakPolarHBondContact O-CB 3.49Å; M574-E578 PolarHBondContact O-N 3.37Å; M574-L596 HydrophobicContact CB-CD1 4.39Å; M574-L596 HydrophobicContact CE-CD1 4.34Å; M574-I599 HydrophobicContact CE-CG2 4.36Å; M574-I599 HydrophobicContact CG-CG2 3.95Å; M574-I599 HydrophobicContact SD-CG2 4.23Å; M574-N600 WeakPolarHBondContact CE-OD1 3.43Å; M574-I603 HydrophobicContact CE-CD1 4.31Å; M574-I603 HydrophobicContact SD-CD1 3.63Å
575R88.2Confident86.2Confident137 Ų13774.8 Ų74.852%0.51736%0.359SS..Hα-helixtrans-62.7-37.3175.7-73.2180-150.6168.37.9112.2E571 E572 L573 K579E571-R575 WeakPolarHBondContact O-CG 3.31Å; E571-R575 PolarHBondContact O-N 3.09Å; E571-R575 IonicContact OE2-NH2 3.38Å; E571-R575 PolarHBondContact OE2-NH2 2.62Å; E572-R575 PolarHBondContact O-N 2.97Å; L573-R575 PolarHBondContact O-N 3.5Å; R575-K579 WeakPolarHBondContact O-CB 3.49Å; R575-K579 PolarHBondContact O-N 2.94Å
576K89.3Confident86Confident97 Ų9774.9 Ų74.942%0.42236%0.359SS..Hα-helixtrans-62.4-47.3174.2-75.4172.5-176.8170.40110.9E572 L573 M574 K579 E580E572-K576 WeakPolarHBondContact O-CG 3.27Å; E572-K576 PolarHBondContact O-N 3.46Å; E572-K576 VanDerWaalsContact OE1-CE 3.3Å; E572-K576 WeakPolarHBondContact OE1-CE 3.42Å; L573-K576 WeakPolarHBondContact O-CB 3.46Å; L573-K576 PolarHBondContact O-N 3.13Å; M574-K576 VanDerWaalsContact C-N 3.3Å; M574-K576 PolarHBondContact O-N 3.18Å; K576-K579 PolarHBondContact O-N 3.24Å; K576-E580 VanDerWaalsContact O-CB 3.27Å; K576-E580 WeakPolarHBondContact O-CB 3.45Å; K576-E580 PolarHBondContact O-N 2.7Å
577V85.6Confident85.6Confident11 Ų1174.2 Ų74.27%0.06736%0.361CS..Hα-helixtrans-61.1-46177.3175.20000111.3L554 L573 M574 E580 E581 H595 L596 I599L554-V577 HydrophobicContact CD1-CG2 3.79Å; L573-V577 WeakPolarHBondContact O-CG2 3.48Å; L573-V577 PolarHBondContact O-N 3.04Å; M574-V577 PolarHBondContact O-N 3.04Å; V577-E580 WeakPolarHBondContact O-CB 3.2Å; V577-E580 PolarHBondContact O-N 3.35Å; V577-E581 HydrophobicContact CG1-CG 4.44Å; V577-E581 PolarHBondContact O-N 3.22Å; V577-H595 HydrophobicContact CG1-CB 3.75Å; V577-L596 HydrophobicContact CG1-CB 4.31Å; V577-I599 HydrophobicContact CB-CD1 4.36Å; V577-I599 HydrophobicContact CG1-CD1 4.06Å; V577-I599 HydrophobicContact CG2-CD1 4.04Å
578E85.6Confident85.1Confident94 Ų9473.3 Ų73.344%0.43936%0.356SS..Hα-helixtrans-59.7-48.9178.5-176.2175.6-157.200111.8M574 E580 E581 D582 L596M574-E578 WeakPolarHBondContact O-CB 3.49Å; M574-E578 PolarHBondContact O-N 3.37Å; E578-E580 PolarHBondContact O-N 3.45Å; E578-E581 PolarHBondContact O-N 2.82Å; E578-D582 PolarHBondContact O-N 2.81Å; E578-L596 HydrophobicContact CB-CD2 3.94Å; E578-L596 HydrophobicContact CG-CD2 3.98Å
579K87.5Confident84.7Confident135 Ų13570 Ų7059%0.58735%0.349SS*.Hα-helixtrans-61.4-35.8178.2-175.7178.4-178.8179.50112.6R575 K576 K583R575-K579 WeakPolarHBondContact O-CB 3.49Å; R575-K579 PolarHBondContact O-N 2.94Å; K576-K579 PolarHBondContact O-N 3.24Å; K579-K583 WeakPolarHBondContact O-CG 3.42Å; K579-K583 PolarHBondContact O-N 3.49Å
580E82.5Confident84.2Confident50 Ų5075.3 Ų75.323%0.23437%0.373CS..Hα-helixtrans-70.1-44.5176.3-94.3-7.9112.500111.1W285 K576 V577 E578 D582 K583 L584W285-E580 HydrophobicContact CE3-CG 4.4Å; W285-E580 HydrophobicContact CH2-CB 3.16Å; W285-E580 HydrophobicContact CH2-CG 3.46Å; W285-E580 VanDerWaalsContact CH2-CG 3.46Å; W285-E580 WeakPolarHBondContact CH2-O 2.99Å; W285-E580 HydrophobicContact CZ2-CB 3.7Å; W285-E580 HydrophobicContact CZ2-CG 3.84Å; W285-E580 HydrophobicContact CZ3-CB 3.81Å; W285-E580 HydrophobicContact CZ3-CG 3.72Å; W285-E580 WeakPolarHBondContact CZ3-OE2 3.42Å; K576-E580 VanDerWaalsContact O-CB 3.27Å; K576-E580 WeakPolarHBondContact O-CB 3.45Å; K576-E580 PolarHBondContact O-N 2.7Å; V577-E580 WeakPolarHBondContact O-CB 3.2Å; V577-E580 PolarHBondContact O-N 3.35Å; E578-E580 PolarHBondContact O-N 3.45Å; E580-D582 PolarHBondContact O-N 3.23Å; E580-K583 PolarHBondContact O-N 3.31Å; E580-K583 IonicContact OE1-NZ 2.92Å; E580-K583 PolarHBondContact OE1-NZ 3.41Å; E580-K583 VanDerWaalsContact OE2-CD 3.29Å; E580-K583 WeakPolarHBondContact OE2-CD 3.5Å; E580-K583 IonicContact OE2-NZ 2.98Å; E580-K583 PolarHBondContact OE2-NZ 2.84Å; E580-L584 PolarHBondContact O-N 3.02Å
581E82.4Confident83.5Confident23 Ų2376.1 Ų76.111%0.10738%0.376CS..Hα-helixtrans-60.9-42.7173.8-74.2-169160.100112V577 E578 K583 L584 L585 L593 H595 L596V577-E581 HydrophobicContact CG1-CG 4.44Å; V577-E581 PolarHBondContact O-N 3.22Å; E578-E581 PolarHBondContact O-N 2.82Å; E581-K583 VanDerWaalsContact C-N 3.34Å; E581-K583 PolarHBondContact O-N 2.75Å; E581-L584 WeakPolarHBondContact O-CB 3.45Å; E581-L584 PolarHBondContact O-N 3.04Å; E581-L584 VanDerWaalsContact O-N 3.14Å; E581-L585 PolarHBondContact O-N 3.42Å; E581-L593 HydrophobicContact CB-CB 4.47Å; E581-L593 HydrophobicContact CB-CD1 3.56Å; E581-L593 HydrophobicContact CG-CB 4.03Å; E581-L593 HydrophobicContact CG-CD1 3.86Å; E581-L593 WeakPolarHBondContact O-CD1 3.4Å; E581-H595 WeakPolarHBondContact OE1-CA 3.46Å; E581-H595 VanDerWaalsContact OE1-CB 3.3Å; E581-H595 WeakPolarHBondContact OE1-CB 3.44Å; E581-H595 PolarHBondContact OE1-N 2.72Å; E581-L596 PolarHBondContact OE1-N 3.44Å; E581-L596 VanDerWaalsContact OE1-N 3.11Å; E581-L596 VanDerWaalsContact OE2-CB 3.23Å; E581-L596 WeakPolarHBondContact OE2-CB 3.46Å
582D84.6Confident82.9Confident89 Ų8981 Ų8148%0.47639%0.39SS..Hα-helixtrans-60-40.6177.5-79.4-18.7000112.9E578 E580 L584 L585 L586E578-D582 PolarHBondContact O-N 2.81Å; E580-D582 PolarHBondContact O-N 3.23Å; D582-L584 VanDerWaalsContact C-N 3.3Å; D582-L584 PolarHBondContact O-N 3.37Å; D582-L585 PolarHBondContact O-N 2.93Å; D582-L586 WeakPolarHBondContact O-CB 3.24Å; D582-L586 WeakPolarHBondContact O-CD1 3.32Å; D582-L586 WeakPolarHBondContact O-CG 3.46Å; D582-L586 PolarHBondContact O-N 2.94Å
583K85Confident82.3Confident94 Ų9478.1 Ų78.141%0.40938%0.377SS..Hα-helixtrans-63.7-37.1176.1-73.7168.5-175.8172.30112.3K579 E580 E581 L586 T587K579-K583 WeakPolarHBondContact O-CG 3.42Å; K579-K583 PolarHBondContact O-N 3.49Å; E580-K583 PolarHBondContact O-N 3.31Å; E580-K583 IonicContact OE1-NZ 2.92Å; E580-K583 PolarHBondContact OE1-NZ 3.41Å; E580-K583 VanDerWaalsContact OE2-CD 3.29Å; E580-K583 WeakPolarHBondContact OE2-CD 3.5Å; E580-K583 IonicContact OE2-NZ 2.98Å; E580-K583 PolarHBondContact OE2-NZ 2.84Å; E581-K583 VanDerWaalsContact C-N 3.34Å; E581-K583 PolarHBondContact O-N 2.75Å; K583-L586 WeakPolarHBondContact O-CB 3.39Å; K583-L586 PolarHBondContact O-N 3.41Å; K583-T587 PolarHBondContact O-N 3.23Å; K583-T587 PolarHBondContact O-OG1 3.42Å; K583-T587 VanDerWaalsContact O-OG1 3.04Å
584L77Confident81.8Confident8 Ų882.9 Ų82.94%0.04240%0.398CS..Hα-helixtrans-70-43.7178.3-72.1167.5000110.7W285 M290 E580 E581 D582 L586 T587 D588 L593W285-L584 HydrophobicContact CH2-CD1 3.36Å; W285-L584 HydrophobicContact CH2-CG 3.86Å; W285-L584 HydrophobicContact CZ2-CD1 3.94Å; W285-L584 HydrophobicContact CZ3-CD1 3.9Å; W285-L584 HydrophobicContact CZ3-CD2 4.3Å; W285-L584 HydrophobicContact CZ3-CG 3.9Å; M290-L584 HydrophobicContact CB-CD1 3.88Å; M290-L584 HydrophobicContact CG-CD1 3.86Å; M290-L584 HydrophobicContact SD-CD1 3.64Å; E580-L584 PolarHBondContact O-N 3.02Å; E581-L584 WeakPolarHBondContact O-CB 3.45Å; E581-L584 PolarHBondContact O-N 3.04Å; E581-L584 VanDerWaalsContact O-N 3.14Å; D582-L584 VanDerWaalsContact C-N 3.3Å; D582-L584 PolarHBondContact O-N 3.37Å; L584-L586 VanDerWaalsContact C-N 3.26Å; L584-L586 PolarHBondContact O-N 2.85Å; L584-T587 WeakPolarHBondContact O-CA 3.32Å; L584-T587 PolarHBondContact O-N 2.92Å; L584-D588 PolarHBondContact O-N 2.9Å; L584-L593 HydrophobicContact CB-CD1 3.89Å; L584-L593 HydrophobicContact CB-CD2 4.32Å; L584-L593 HydrophobicContact CD1-CD1 4.42Å; L584-L593 HydrophobicContact CD1-CD2 4.15Å
585L78.5Confident81.5Confident67 Ų6782.9 Ų82.935%0.35140%0.397SS..Hα-helixtrans-63.2-31.2174.4-70.2171.1000113.2E581 D582 T587 D588 P589 Q591 L593E581-L585 PolarHBondContact O-N 3.42Å; D582-L585 PolarHBondContact O-N 2.93Å; L585-T587 PolarHBondContact O-N 3.42Å; L585-D588 CarbonylContact O-C 3.18Å; L585-P589 WeakPolarHBondContact O-CA 3.42Å; L585-Q591 WeakPolarHBondContact CD2-O 3.47Å; L585-L593 HydrophobicContact CD1-CD1 4.2Å; L585-L593 HydrophobicContact CD2-CD1 4.06Å; L585-L593 HydrophobicContact CD2-CG 4.31Å; L585-L593 HydrophobicContact CG-CD1 3.64Å; L585-L593 HydrophobicContact CG-CG 4.42Å
586L84.2Confident81.2Confident144 Ų14477.7 Ų77.775%0.75438%0.38SS*.Hα-helixtrans-64.1-29171.5-82.9158.9000112.4D582 K583 L584D582-L586 WeakPolarHBondContact O-CB 3.24Å; D582-L586 WeakPolarHBondContact O-CD1 3.32Å; D582-L586 WeakPolarHBondContact O-CG 3.46Å; D582-L586 PolarHBondContact O-N 2.94Å; K583-L586 WeakPolarHBondContact O-CB 3.39Å; K583-L586 PolarHBondContact O-N 3.41Å; L584-L586 VanDerWaalsContact C-N 3.26Å; L584-L586 PolarHBondContact O-N 2.85Å
587T81.8Confident80.9Confident77 Ų7776 Ų7647%0.47238%0.379SS..Hα-helixtrans-91.2-40.7-178.6-450000112.2H288 K583 L584 L585H288-T587 HydrophobicContact CB-CG2 3.52Å; K583-T587 PolarHBondContact O-N 3.23Å; K583-T587 PolarHBondContact O-OG1 3.42Å; K583-T587 VanDerWaalsContact O-OG1 3.04Å; L584-T587 WeakPolarHBondContact O-CA 3.32Å; L584-T587 PolarHBondContact O-N 2.92Å; L585-T587 PolarHBondContact O-N 3.42Å
588D77.1Confident80.8Confident64 Ų6477.1 Ų77.134%0.34238%0.384SS..  trans-134.996.5176.2-1797.9000109.8L584 L585 D590 Q591L584-D588 PolarHBondContact O-N 2.9Å; L585-D588 CarbonylContact O-C 3.18Å; D588-D590 PolarHBondContact O-N 3.44Å; D588-D590 PolarHBondContact OD1-N 3.04Å; D588-Q591 HydrophobicContact CB-CB 4.02Å; D588-Q591 VanDerWaalsContact O-CB 3.22Å; D588-Q591 WeakPolarHBondContact O-CB 3.41Å; D588-Q591 PolarHBondContact O-N 3.27Å; D588-Q591 VanDerWaalsContact O-N 3.14Å
589P80.7Confident80.6Confident100 Ų10072.6 Ų72.665%0.64936%0.363SS*.THydrogen-bonded Turntrans-64.4-23.5-176.1-21.532.3000114.4L585 Q591L585-P589 WeakPolarHBondContact O-CA 3.42Å; P589-Q591 VanDerWaalsContact C-N 3.3Å
590D79.4Confident80.4Confident148 Ų14869.2 Ų69.279%0.79135%0.351SS*.THydrogen-bonded Turntrans-88.5-3.8-178.9-69.6-38.2000111.9D588 R592D588-D590 PolarHBondContact O-N 3.44Å; D588-D590 PolarHBondContact OD1-N 3.04Å; D590-R592 PolarHBondContact O-N 3.05Å
591Q72.8Confident80.4Confident21 Ų2167.9 Ų67.910%0.09835%0.346CS..  trans-66.8128.6-180-169.3159.87600111.5L585 D588 P589 L593L585-Q591 WeakPolarHBondContact CD2-O 3.47Å; D588-Q591 HydrophobicContact CB-CB 4.02Å; D588-Q591 VanDerWaalsContact O-CB 3.22Å; D588-Q591 WeakPolarHBondContact O-CB 3.41Å; D588-Q591 PolarHBondContact O-N 3.27Å; D588-Q591 VanDerWaalsContact O-N 3.14Å; P589-Q591 VanDerWaalsContact C-N 3.3Å; Q591-L593 HydrophobicContact CB-CD2 4.46Å; Q591-L593 HydrophobicContact CG-CD2 3.64Å; Q591-L593 HydrophobicContact CG-CG 4.41Å; Q591-L593 PolarHBondContact O-N 3.38Å
592R74.3Confident80.3Confident203 Ų20366.8 Ų66.877%0.76634%0.341SS*.  trans-89.4109.1177-61.3-175-178.5176.90.6110.4D590 F594D590-R592 PolarHBondContact O-N 3.05Å; R592-F594 HydrophobicContact CB-CE1 4.35Å; R592-F594 HydrophobicContact CB-CE2 3.67Å; R592-F594 HydrophobicContact CB-CZ 3.53Å; R592-F594 HydrophobicContact CG-CZ 4.37Å
593L75.9Confident80.1Confident25 Ų2563.5 Ų63.513%0.13132%0.323CS..  trans-104.4137.2177-47.8179.5000110.1M290 E581 L584 L585 Q591M290-L593 HydrophobicContact CB-CD2 3.89Å; M290-L593 HydrophobicContact CE-CB 4.02Å; M290-L593 HydrophobicContact CE-CD2 3.22Å; M290-L593 HydrophobicContact CE-CG 4.2Å; M290-L593 HydrophobicContact CG-CD2 4.3Å; M290-L593 HydrophobicContact SD-CD2 3.51Å; M290-L593 VanDerWaalsContact SD-CD2 3.51Å; E581-L593 HydrophobicContact CB-CB 4.47Å; E581-L593 HydrophobicContact CB-CD1 3.56Å; E581-L593 HydrophobicContact CG-CB 4.03Å; E581-L593 HydrophobicContact CG-CD1 3.86Å; E581-L593 WeakPolarHBondContact O-CD1 3.4Å; L584-L593 HydrophobicContact CB-CD1 3.89Å; L584-L593 HydrophobicContact CB-CD2 4.32Å; L584-L593 HydrophobicContact CD1-CD1 4.42Å; L584-L593 HydrophobicContact CD1-CD2 4.15Å; L585-L593 HydrophobicContact CD1-CD1 4.2Å; L585-L593 HydrophobicContact CD2-CD1 4.06Å; L585-L593 HydrophobicContact CD2-CG 4.31Å; L585-L593 HydrophobicContact CG-CD1 3.64Å; L585-L593 HydrophobicContact CG-CG 4.42Å; Q591-L593 HydrophobicContact CB-CD2 4.46Å; Q591-L593 HydrophobicContact CG-CD2 3.64Å; Q591-L593 HydrophobicContact CG-CG 4.41Å; Q591-L593 PolarHBondContact O-N 3.38Å
594F79.2Confident79.6Confident114 Ų11459.1 Ų59.150%0.531%0.305SS..  trans-132.7-0-172.4-55.8-70.9000114.1R592 C597 I598R592-F594 HydrophobicContact CB-CE1 4.35Å; R592-F594 HydrophobicContact CB-CE2 3.67Å; R592-F594 HydrophobicContact CB-CZ 3.53Å; R592-F594 HydrophobicContact CG-CZ 4.37Å; F594-C597 PolarHBondContact O-N 2.83Å; F594-I598 HydrophobicContact CB-CD1 4.07Å; F594-I598 WeakPolarHBondContact O-CB 3.13Å; F594-I598 VanDerWaalsContact O-CG1 3.27Å; F594-I598 WeakPolarHBondContact O-CG1 3.14Å; F594-I598 PolarHBondContact O-N 3.16Å
595H80.4Confident79.4Confident39 Ų3962.4 Ų62.418%0.18132%0.317CS..Hα-helixtrans-64-53.3-173.7-69.581.9000110.3M290 A551 V577 E581 C597 I598 I599M290-H595 WeakPolarHBondContact CE-ND1 3.2Å; M290-H595 VanDerWaalsContact SD-CE1 3.55Å; A551-H595 VanDerWaalsContact CA-CD2 3.49Å; A551-H595 WeakPolarHBondContact CA-CD2 3.43Å; A551-H595 HydrophobicContact CB-CB 4.26Å; V577-H595 HydrophobicContact CG1-CB 3.75Å; E581-H595 WeakPolarHBondContact OE1-CA 3.46Å; E581-H595 VanDerWaalsContact OE1-CB 3.3Å; E581-H595 WeakPolarHBondContact OE1-CB 3.44Å; E581-H595 PolarHBondContact OE1-N 2.72Å; H595-C597 VanDerWaalsContact C-N 3.27Å; H595-C597 PolarHBondContact O-N 3.29Å; H595-I598 PolarHBondContact O-N 2.91Å; H595-I599 VanDerWaalsContact O-CG1 3.23Å; H595-I599 WeakPolarHBondContact O-CG1 3.36Å; H595-I599 PolarHBondContact O-N 2.79Å
596L82.6Confident79Confident29 Ų2962.1 Ų62.115%0.15231%0.314CS..Hα-helixtrans-64.3-34.9-179.5-168.365.7000112M574 V577 E578 E581 N600M574-L596 HydrophobicContact CB-CD1 4.39Å; M574-L596 HydrophobicContact CE-CD1 4.34Å; V577-L596 HydrophobicContact CG1-CB 4.31Å; E578-L596 HydrophobicContact CB-CD2 3.94Å; E578-L596 HydrophobicContact CG-CD2 3.98Å; E581-L596 PolarHBondContact OE1-N 3.44Å; E581-L596 VanDerWaalsContact OE1-N 3.11Å; E581-L596 VanDerWaalsContact OE2-CB 3.23Å; E581-L596 WeakPolarHBondContact OE2-CB 3.46Å; L596-N600 WeakPolarHBondContact O-CB 3.43Å; L596-N600 PolarHBondContact O-N 3.05Å; L596-N600 PolarHBondContact O-ND2 3.23Å
597C83.1Confident78.1Confident60 Ų6058.5 Ų58.541%0.40530%0.295SS..Hα-helixtrans-61.4-49.5175-174.40000111.5F594 H595 N600 L601F594-C597 PolarHBondContact O-N 2.83Å; H595-C597 VanDerWaalsContact C-N 3.27Å; H595-C597 PolarHBondContact O-N 3.29Å; C597-N600 PolarHBondContact O-N 2.79Å; C597-L601 WeakPolarHBondContact O-CB 3.15Å; C597-L601 PolarHBondContact O-N 3.26Å
598I81.5Confident76.9Confident35 Ų3557.4 Ų57.418%0.17930%0.299CS..Hα-helixtrans-64.4-43.6178.9-70.5165.9000110.8A551 A555 F594 H595 N600 L601 V602A551-I598 HydrophobicContact CB-CB 3.88Å; A551-I598 HydrophobicContact CB-CD1 3.5Å; A551-I598 HydrophobicContact CB-CG1 4.28Å; A551-I598 HydrophobicContact CB-CG2 3.87Å; A555-I598 HydrophobicContact CB-CG2 4.45Å; F594-I598 HydrophobicContact CB-CD1 4.07Å; F594-I598 WeakPolarHBondContact O-CB 3.13Å; F594-I598 VanDerWaalsContact O-CG1 3.27Å; F594-I598 WeakPolarHBondContact O-CG1 3.14Å; F594-I598 PolarHBondContact O-N 3.16Å; H595-I598 PolarHBondContact O-N 2.91Å; I598-N600 PolarHBondContact O-N 3.41Å; I598-L601 WeakPolarHBondContact O-CB 3.34Å; I598-L601 PolarHBondContact O-N 2.87Å; I598-V602 HydrophobicContact CG2-CG2 4.34Å; I598-V602 WeakPolarHBondContact O-CG2 3.06Å; I598-V602 PolarHBondContact O-N 3.45Å
599I82.9Confident75.5Confident0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-56.3-50.2176.2-67.6165.2000110.5L554 A555 C558 M574 V577 H595 L601 V602 I603L554-I599 HydrophobicContact CB-CD1 3.84Å; L554-I599 HydrophobicContact CB-CG1 4.2Å; L554-I599 HydrophobicContact CD1-CD1 4.49Å; A555-I599 HydrophobicContact CB-CB 4.38Å; A555-I599 HydrophobicContact CB-CG1 3.99Å; C558-I599 HydrophobicContact CB-CG2 4.31Å; M574-I599 HydrophobicContact CE-CG2 4.36Å; M574-I599 HydrophobicContact CG-CG2 3.95Å; M574-I599 HydrophobicContact SD-CG2 4.23Å; V577-I599 HydrophobicContact CB-CD1 4.36Å; V577-I599 HydrophobicContact CG1-CD1 4.06Å; V577-I599 HydrophobicContact CG2-CD1 4.04Å; H595-I599 VanDerWaalsContact O-CG1 3.23Å; H595-I599 WeakPolarHBondContact O-CG1 3.36Å; H595-I599 PolarHBondContact O-N 2.79Å; I599-L601 VanDerWaalsContact C-N 3.34Å; I599-L601 PolarHBondContact O-N 3.27Å; I599-V602 PolarHBondContact O-N 3.18Å; I599-I603 HydrophobicContact CG2-CD1 3.55Å; I599-I603 HydrophobicContact CG2-CG1 4.32Å; I599-I603 WeakPolarHBondContact O-CB 3.4Å; I599-I603 VanDerWaalsContact O-CG1 3.29Å; I599-I603 WeakPolarHBondContact O-CG1 3.46Å; I599-I603 PolarHBondContact O-N 3.33Å
600N83.1Confident73.8Confident63 Ų6354.3 Ų54.334%0.33728%0.276SS..Hα-helixtrans-62.7-39.6179.1-77.7-50000112.8M574 L596 C597 I598 G604M574-N600 WeakPolarHBondContact CE-OD1 3.43Å; L596-N600 WeakPolarHBondContact O-CB 3.43Å; L596-N600 PolarHBondContact O-N 3.05Å; L596-N600 PolarHBondContact O-ND2 3.23Å; C597-N600 PolarHBondContact O-N 2.79Å; I598-N600 PolarHBondContact O-N 3.41Å; N600-G604 PolarHBondContact O-N 3.16Å
601L81.3Confident71.9Confident23 Ų2352 Ų5212%0.1227%0.27CS..Hα-helixtrans-58.2-49.8175.2-101.4151.1000111.8C597 I598 I599 G604 Y605 L628 V632C597-L601 WeakPolarHBondContact O-CB 3.15Å; C597-L601 PolarHBondContact O-N 3.26Å; I598-L601 WeakPolarHBondContact O-CB 3.34Å; I598-L601 PolarHBondContact O-N 2.87Å; I599-L601 VanDerWaalsContact C-N 3.34Å; I599-L601 PolarHBondContact O-N 3.27Å; L601-G604 PolarHBondContact O-N 3.34Å; L601-Y605 PolarHBondContact O-N 3.18Å; L601-Y605 VanDerWaalsContact O-N 3.14Å; L601-L628 HydrophobicContact CD2-CD2 3.31Å; L601-L628 HydrophobicContact CD2-CG 3.73Å; L601-L628 HydrophobicContact CG-CD2 4.46Å; L601-V632 HydrophobicContact CB-CG2 4.24Å; L601-V632 HydrophobicContact CD2-CG2 3.58Å
602V80.7Confident70.2Confident0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-70.5-43.3-176.8176.30000111.5I552 A555 V559 I598 I599 G604 Y605 E606I552-V602 HydrophobicContact CD1-CG2 3.91Å; A555-V602 HydrophobicContact CB-CB 3.87Å; A555-V602 HydrophobicContact CB-CG1 4.12Å; A555-V602 HydrophobicContact CB-CG2 3.93Å; V559-V602 HydrophobicContact CG2-CG1 3.82Å; I598-V602 HydrophobicContact CG2-CG2 4.34Å; I598-V602 WeakPolarHBondContact O-CG2 3.06Å; I598-V602 PolarHBondContact O-N 3.45Å; I599-V602 PolarHBondContact O-N 3.18Å; V602-G604 VanDerWaalsContact C-N 3.35Å; V602-Y605 PolarHBondContact O-N 3.13Å; V602-E606 PolarHBondContact O-N 3.48Å; V602-E606 VanDerWaalsContact O-N 3.17Å
603I81.1Confident68.4Low20 Ų2047.9 Ų47.910%0.10327%0.27CS..Hα-helixtrans-61.7-44.4175.3-67.8171.2000110.6C558 V559 I562 M574 I599 Y605 E606 N607C558-I603 HydrophobicContact CB-CD1 3.73Å; C558-I603 HydrophobicContact CB-CG1 4.17Å; V559-I603 HydrophobicContact CG2-CG1 4.25Å; I562-I603 HydrophobicContact CD1-CB 4.49Å; I562-I603 HydrophobicContact CD1-CD1 4.08Å; I562-I603 HydrophobicContact CD1-CG1 4.02Å; I562-I603 HydrophobicContact CD1-CG2 3.69Å; M574-I603 HydrophobicContact CE-CD1 4.31Å; M574-I603 HydrophobicContact SD-CD1 3.63Å; I599-I603 HydrophobicContact CG2-CD1 3.55Å; I599-I603 HydrophobicContact CG2-CG1 4.32Å; I599-I603 WeakPolarHBondContact O-CB 3.4Å; I599-I603 VanDerWaalsContact O-CG1 3.29Å; I599-I603 WeakPolarHBondContact O-CG1 3.46Å; I599-I603 PolarHBondContact O-N 3.33Å; I603-Y605 PolarHBondContact O-N 3.38Å; I603-E606 PolarHBondContact O-N 3.45Å; I603-N607 PolarHBondContact O-N 2.95Å; I603-N607 VanDerWaalsContact O-N 3.11Å
604G74.4Confident66.6Low2 Ų251.8 Ų51.82%0.02130%0.296CS..Hα-helixtrans-60.7-34.2179.300000112.9N600 L601 V602 G608 I609 L610N600-G604 PolarHBondContact O-N 3.16Å; L601-G604 PolarHBondContact O-N 3.34Å; V602-G604 VanDerWaalsContact C-N 3.35Å; G604-G608 PolarHBondContact O-N 3.18Å; G604-I609 PolarHBondContact O-N 3.06Å; G604-L610 PolarHBondContact O-N 3.03Å
605Y73.3Confident64.6Low77 Ų7755.4 Ų55.430%0.30231%0.312SS..Hα-helixtrans-69.9-48.2174.6-179.8-86.4000112.8L601 V602 I603 N607 G608 N629 V632 K636L601-Y605 PolarHBondContact O-N 3.18Å; L601-Y605 VanDerWaalsContact O-N 3.14Å; V602-Y605 PolarHBondContact O-N 3.13Å; I603-Y605 PolarHBondContact O-N 3.38Å; Y605-N607 PolarHBondContact O-N 3.21Å; Y605-G608 PolarHBondContact O-N 3.43Å; Y605-N629 WeakPolarHBondContact CD2-OD1 3.5Å; Y605-N629 WeakPolarHBondContact CE2-OD1 3.39Å; Y605-V632 HydrophobicContact CD1-CG1 3.97Å; Y605-V632 HydrophobicContact CD2-CB 4.02Å; Y605-V632 HydrophobicContact CD2-CG1 3.83Å; Y605-V632 HydrophobicContact CG-CB 4.18Å; Y605-V632 HydrophobicContact CG-CG1 3.49Å; Y605-V632 VanDerWaalsContact CG-CG1 3.49Å; Y605-K636 HydrophobicContact CD1-CD 4.5Å; Y605-K636 VanDerWaalsContact CD1-NZ 3.27Å; Y605-K636 HydrophobicContact CE1-CD 4.47Å
606E70Confident62.6Low61 Ų6157.4 Ų57.429%0.28532%0.32SS..Hα-helixtrans-65-40-178.2-80.9-72.8-173.900113.5V559 V602 I603 G608 K636V559-E606 HydrophobicContact CG1-CB 4.31Å; V559-E606 HydrophobicContact CG1-CG 3.71Å; V559-E606 HydrophobicContact CG2-CG 4.18Å; V602-E606 PolarHBondContact O-N 3.48Å; V602-E606 VanDerWaalsContact O-N 3.17Å; I603-E606 PolarHBondContact O-N 3.45Å; E606-G608 PolarHBondContact O-N 3.1Å; E606-K636 IonicContact OE1-NZ 2.68Å; E606-K636 PolarHBondContact OE1-NZ 3.11Å; E606-K636 IonicContact OE2-NZ 2.55Å
607N64.4Low60.3Low68 Ų6860 Ų6036%0.36433%0.334SS..THydrogen-bonded Turntrans-80.7-0.3-179.8-70.1-36.2000113.2I603 Y605 I609I603-N607 PolarHBondContact O-N 2.95Å; I603-N607 VanDerWaalsContact O-N 3.11Å; Y605-N607 PolarHBondContact O-N 3.21Å; N607-I609 HydrophobicContact CB-CB 4.11Å; N607-I609 HydrophobicContact CB-CD1 3.48Å; N607-I609 VanDerWaalsContact CB-CD1 3.48Å; N607-I609 HydrophobicContact CB-CG1 3.65Å; N607-I609 PolarHBondContact O-N 3.21Å; N607-I609 VanDerWaalsContact O-N 3.16Å
608G57.8Low58.3Low53 Ų5361.7 Ų61.755%0.54635%0.346SS..THydrogen-bonded Turntrans6314.8-170.100000113.7G604 Y605 E606 L610G604-G608 PolarHBondContact O-N 3.18Å; Y605-G608 PolarHBondContact O-N 3.43Å; E606-G608 PolarHBondContact O-N 3.1Å; G608-L610 VanDerWaalsContact C-N 3.33Å; G608-L610 PolarHBondContact O-N 3Å
609I47.4Very low56.1Low67 Ų6767.1 Ų67.134%0.34438%0.375SS..G310 helixtrans-83.6-4.2-173.9-73.4175.6000112.5G604 N607 C611 S612 L613G604-I609 PolarHBondContact O-N 3.06Å; N607-I609 HydrophobicContact CB-CB 4.11Å; N607-I609 HydrophobicContact CB-CD1 3.48Å; N607-I609 VanDerWaalsContact CB-CD1 3.48Å; N607-I609 HydrophobicContact CB-CG1 3.65Å; N607-I609 PolarHBondContact O-N 3.21Å; N607-I609 VanDerWaalsContact O-N 3.16Å; I609-C611 PolarHBondContact O-N 3.27Å; I609-S612 WeakPolarHBondContact CA-OG 3.47Å; I609-S612 WeakPolarHBondContact CG2-OG 3.35Å; I609-S612 PolarHBondContact O-N 3.05Å; I609-S612 PolarHBondContact O-OG 3.47Å; I609-L613 HydrophobicContact CG2-CD1 4.3Å; I609-L613 HydrophobicContact CG2-CG 4.26Å; I609-L613 PolarHBondContact O-N 3.27Å
610L45.4Very low53.7Low33 Ų3368.5 Ų68.517%0.17339%0.386CS..G310 helixtrans-56.4-18.9168.7-97.8158000113G604 G608 L628G604-L610 PolarHBondContact O-N 3.03Å; G608-L610 VanDerWaalsContact C-N 3.33Å; G608-L610 PolarHBondContact O-N 3Å; L610-L628 HydrophobicContact CD1-CD2 4.3Å; L610-L628 HydrophobicContact CD2-CD2 3.33Å; L610-L628 HydrophobicContact CG-CD2 4.47Å
611C39.2Very low51.6Low98 Ų9875.4 Ų75.466%0.66241%0.407SS*.G310 helixtrans-85.6-2.2169.7-69.80000115.5I609 L617I609-C611 PolarHBondContact O-N 3.27Å; C611-L617 WeakPolarHBondContact O-CD1 3.47Å
612S36.1Very low49.8Very low73 Ų7380.7 Ų80.751%0.5144%0.435SS..THydrogen-bonded Turntrans-133.22.2-17253.20000116.6I609 P614I609-S612 WeakPolarHBondContact CA-OG 3.47Å; I609-S612 WeakPolarHBondContact CG2-OG 3.35Å; I609-S612 PolarHBondContact O-N 3.05Å; I609-S612 PolarHBondContact O-OG 3.47Å; S612-P614 VanDerWaalsContact O-CD 3.23Å; S612-P614 WeakPolarHBondContact O-CD 3.35Å
613L36.6Very low48.1Very low66 Ų6686.4 Ų86.435%0.34647%0.465SS..  trans-81.3109.3169.3-91.1157.4000111.3I609 K615 F616 L617I609-L613 HydrophobicContact CG2-CD1 4.3Å; I609-L613 HydrophobicContact CG2-CG 4.26Å; I609-L613 PolarHBondContact O-N 3.27Å; L613-K615 PolarHBondContact O-N 2.83Å; L613-F616 PolarHBondContact O-N 3.49Å; L613-L617 PolarHBondContact O-N 3.4Å
614P38.9Very low46.5Very low106 Ų10690.1 Ų90.169%0.68848%0.481SS*.Hα-helixtrans-63.9-27.2-174.4-20.233.1000113.6S612S612-P614 VanDerWaalsContact O-CD 3.23Å; S612-P614 WeakPolarHBondContact O-CD 3.35Å
615K37Very low45.2Very low190 Ų19092.9 Ų92.983%0.82650%0.495SS*.Hα-helixtrans-71-31.6178.9-88.3-178.8173.8178.90113.2L613 S618L613-K615 PolarHBondContact O-N 2.83Å; K615-S618 PolarHBondContact O-OG 3.41Å
616F37.9Very low44Very low81 Ų8197.5 Ų97.536%0.35551%0.513SS..Hα-helixtrans-85.5-33.8-180-109.4-90000112.9L613 S618 L619 F624 L628L613-F616 PolarHBondContact O-N 3.49Å; F616-S618 PolarHBondContact O-N 3.27Å; F616-L619 PolarHBondContact O-N 2.9Å; F616-F624 HydrophobicContact CE1-CE1 4.26Å; F616-L628 HydrophobicContact CD1-CD2 4.35Å; F616-L628 HydrophobicContact CE1-CD1 4.25Å; F616-L628 HydrophobicContact CE1-CD2 4.07Å
617L35.4Very low43.2Very low85 Ų8598.1 Ų98.145%0.44552%0.521SS..Hα-helixtrans-67.2-21.7-179.9-78161.3000114C611 L613 L619C611-L617 WeakPolarHBondContact O-CD1 3.47Å; L613-L617 PolarHBondContact O-N 3.4Å; L617-L619 PolarHBondContact O-N 3.08Å
618S39.4Very low42.7Very low95 Ų9595.4 Ų95.466%0.66451%0.506SS*.THydrogen-bonded Turntrans-70.7-12.7177.970.40000114.4K615 F616K615-S618 PolarHBondContact O-OG 3.41Å; F616-S618 PolarHBondContact O-N 3.27Å
619L35.1Very low42.3Very low149 Ų14995.9 Ų95.978%0.7850%0.496SS*.THydrogen-bonded Turntrans-121-11.8-174.8-81.1156.5000114.8F616 L617F616-L619 PolarHBondContact O-N 2.9Å; L617-L619 PolarHBondContact O-N 3.08Å
620A33.2Very low42.6Very low28 Ų2895.6 Ų95.623%0.23150%0.504CS..  trans-103.7109.5-166.500000113.3F624A620-F624 HydrophobicContact CB-CB 3.87Å; A620-F624 HydrophobicContact CB-CD1 3.66Å; A620-F624 HydrophobicContact CB-CG 4.11Å
621R39.7Very low43.1Very low209 Ų20997.7 Ų97.779%0.78952%0.515SS*.  trans-63154.8156.2-74.5-177.3176-178-0.6109.1D623 F624R621-D623 PolarHBondContact O-N 3.03Å; R621-F624 WeakPolarHBondContact O-CA 3.46Å; R621-F624 WeakPolarHBondContact O-CB 3.47Å; R621-F624 PolarHBondContact O-N 2.64Å
622L43.4Very low44Very low133 Ų13393 Ų9370%0.69648%0.483SS*.Hα-helixtrans-47.6-34.4177.8-104.7125.2000114F624 I625 Y626L622-F624 PolarHBondContact O-N 2.88Å; L622-I625 PolarHBondContact O-N 2.91Å; L622-I625 VanDerWaalsContact O-N 3.14Å; L622-Y626 PolarHBondContact O-N 3.28Å
623D44.2Very low45Very low120 Ų12091.6 Ų91.664%0.64247%0.473SS*.Hα-helixtrans-60.4-32.5175.2-57.9-31.6000112.7R621 Y626 T627R621-D623 PolarHBondContact O-N 3.03Å; D623-Y626 PolarHBondContact O-N 3.41Å; D623-T627 WeakPolarHBondContact O-CB 2.91Å; D623-T627 PolarHBondContact O-N 3.06Å; D623-T627 PolarHBondContact O-OG1 3.23Å
624F47.1Very low45.8Very low99 Ų9991.4 Ų91.443%0.43448%0.48SS..Hα-helixtrans-71.2-29.8178.1-156-102000112F616 A620 R621 L622 T627 L628F616-F624 HydrophobicContact CE1-CE1 4.26Å; A620-F624 HydrophobicContact CB-CB 3.87Å; A620-F624 HydrophobicContact CB-CD1 3.66Å; A620-F624 HydrophobicContact CB-CG 4.11Å; R621-F624 WeakPolarHBondContact O-CA 3.46Å; R621-F624 WeakPolarHBondContact O-CB 3.47Å; R621-F624 PolarHBondContact O-N 2.64Å; L622-F624 PolarHBondContact O-N 2.88Å; F624-T627 PolarHBondContact O-N 3.38Å; F624-L628 HydrophobicContact CD1-CD1 3.27Å; F624-L628 HydrophobicContact CE1-CD1 3.16Å; F624-L628 HydrophobicContact CG-CD1 4.19Å; F624-L628 HydrophobicContact CZ-CD1 4Å; F624-L628 VanDerWaalsContact O-CB 3.31Å; F624-L628 WeakPolarHBondContact O-CB 3.41Å; F624-L628 WeakPolarHBondContact O-CD1 3.47Å; F624-L628 PolarHBondContact O-N 2.93Å
625I48.8Very low46.6Very low59 Ų5988 Ų8830%0.30346%0.456SS..Hα-helixtrans-71-43174.6-61.8175.8000110.5L622 T627 L628 N629L622-I625 PolarHBondContact O-N 2.91Å; L622-I625 VanDerWaalsContact O-N 3.14Å; I625-T627 VanDerWaalsContact C-N 3.32Å; I625-T627 PolarHBondContact O-N 3.42Å; I625-L628 PolarHBondContact O-N 3.42Å; I625-N629 WeakPolarHBondContact O-CB 3.26Å; I625-N629 PolarHBondContact O-N 3.46Å
626Y48.1Very low47.3Very low174 Ų17480.1 Ų80.168%0.68242%0.422SS*.Hα-helixtrans-62.4-41.9173.1-86.9-80.2000111.7L622 D623 N629 A630L622-Y626 PolarHBondContact O-N 3.28Å; D623-Y626 PolarHBondContact O-N 3.41Å; Y626-N629 PolarHBondContact O-N 3.16Å; Y626-A630 WeakPolarHBondContact O-CB 3.32Å; Y626-A630 PolarHBondContact O-N 3.21Å
627T52.1Low47.8Very low75 Ų7580.1 Ų80.146%0.4642%0.423SS..Hα-helixtrans-64.6-42175.7-46.50000110.9D623 F624 I625 A630 I631D623-T627 WeakPolarHBondContact O-CB 2.91Å; D623-T627 PolarHBondContact O-N 3.06Å; D623-T627 PolarHBondContact O-OG1 3.23Å; F624-T627 PolarHBondContact O-N 3.38Å; I625-T627 VanDerWaalsContact C-N 3.32Å; I625-T627 PolarHBondContact O-N 3.42Å; T627-A630 PolarHBondContact O-N 2.76Å; T627-I631 HydrophobicContact CG2-CD1 3.96Å; T627-I631 WeakPolarHBondContact O-CB 3.41Å; T627-I631 WeakPolarHBondContact O-CD1 3.3Å; T627-I631 WeakPolarHBondContact O-CG1 3.19Å; T627-I631 PolarHBondContact O-N 3.47Å
628L53.2Low48.6Very low11 Ų1180.5 Ų80.56%0.05842%0.423CS..Hα-helixtrans-63.3-44.5174.3-111.694.7000112.1L601 L610 F616 F624 I625 A630 I631 V632L601-L628 HydrophobicContact CD2-CD2 3.31Å; L601-L628 HydrophobicContact CD2-CG 3.73Å; L601-L628 HydrophobicContact CG-CD2 4.46Å; L610-L628 HydrophobicContact CD1-CD2 4.3Å; L610-L628 HydrophobicContact CD2-CD2 3.33Å; L610-L628 HydrophobicContact CG-CD2 4.47Å; F616-L628 HydrophobicContact CD1-CD2 4.35Å; F616-L628 HydrophobicContact CE1-CD1 4.25Å; F616-L628 HydrophobicContact CE1-CD2 4.07Å; F624-L628 HydrophobicContact CD1-CD1 3.27Å; F624-L628 HydrophobicContact CE1-CD1 3.16Å; F624-L628 HydrophobicContact CG-CD1 4.19Å; F624-L628 HydrophobicContact CZ-CD1 4Å; F624-L628 VanDerWaalsContact O-CB 3.31Å; F624-L628 WeakPolarHBondContact O-CB 3.41Å; F624-L628 WeakPolarHBondContact O-CD1 3.47Å; F624-L628 PolarHBondContact O-N 2.93Å; I625-L628 PolarHBondContact O-N 3.42Å; L628-A630 VanDerWaalsContact C-N 3.31Å; L628-A630 PolarHBondContact O-N 3.06Å; L628-I631 CarbonylContact O-C 3.5Å; L628-I631 PolarHBondContact O-N 3.4Å; L628-V632 WeakPolarHBondContact O-CG2 3.48Å; L628-V632 PolarHBondContact O-N 3.46Å
629N51.1Low49.1Very low62 Ų6278.8 Ų78.833%0.33241%0.411SS..Hα-helixtrans-62.1-41.3176.5-85.6-8.3000110.9Y605 I625 Y626 V632 C633Y605-N629 WeakPolarHBondContact CD2-OD1 3.5Å; Y605-N629 WeakPolarHBondContact CE2-OD1 3.39Å; I625-N629 WeakPolarHBondContact O-CB 3.26Å; I625-N629 PolarHBondContact O-N 3.46Å; Y626-N629 PolarHBondContact O-N 3.16Å; N629-V632 PolarHBondContact O-N 3.32Å; N629-C633 VanDerWaalsContact O-CB 3.22Å; N629-C633 WeakPolarHBondContact O-CB 3.1Å; N629-C633 PolarHBondContact O-N 3.04Å
630A53.7Low49.8Very low61 Ų6171.7 Ų71.750%0.50437%0.373SS..Hα-helixtrans-63.8-40.8173.700000111.8Y626 T627 L628 A634Y626-A630 WeakPolarHBondContact O-CB 3.32Å; Y626-A630 PolarHBondContact O-N 3.21Å; T627-A630 PolarHBondContact O-N 2.76Å; L628-A630 VanDerWaalsContact C-N 3.31Å; L628-A630 PolarHBondContact O-N 3.06Å; A630-A634 WeakPolarHBondContact O-CB 3.42Å; A630-A634 PolarHBondContact O-N 2.87Å
631I55.3Low50.6Low78 Ų7871.9 Ų71.940%0.437%0.372SS..Hα-helixtrans-65.2-45.7176.1-71163.3000110.7T627 L628 A634 L635T627-I631 HydrophobicContact CG2-CD1 3.96Å; T627-I631 WeakPolarHBondContact O-CB 3.41Å; T627-I631 WeakPolarHBondContact O-CD1 3.3Å; T627-I631 WeakPolarHBondContact O-CG1 3.19Å; T627-I631 PolarHBondContact O-N 3.47Å; L628-I631 CarbonylContact O-C 3.5Å; L628-I631 PolarHBondContact O-N 3.4Å; I631-A634 CarbonylContact O-C 3.57Å; I631-A634 PolarHBondContact O-N 2.71Å; I631-L635 HydrophobicContact CG2-CD1 3.67Å; I631-L635 HydrophobicContact CG2-CG 4.19Å; I631-L635 VanDerWaalsContact O-CB 3.31Å; I631-L635 WeakPolarHBondContact O-CB 3.49Å; I631-L635 WeakPolarHBondContact O-CG 3.43Å; I631-L635 PolarHBondContact O-N 3.18Å
632V57.9Low51.1Low0 Ų063.2 Ų63.20%034%0.342CS..Hα-helixtrans-70.7-38.4180178.60000111.2L601 Y605 L628 N629 L635 K636L601-V632 HydrophobicContact CB-CG2 4.24Å; L601-V632 HydrophobicContact CD2-CG2 3.58Å; Y605-V632 HydrophobicContact CD1-CG1 3.97Å; Y605-V632 HydrophobicContact CD2-CB 4.02Å; Y605-V632 HydrophobicContact CD2-CG1 3.83Å; Y605-V632 HydrophobicContact CG-CB 4.18Å; Y605-V632 HydrophobicContact CG-CG1 3.49Å; Y605-V632 VanDerWaalsContact CG-CG1 3.49Å; L628-V632 WeakPolarHBondContact O-CG2 3.48Å; L628-V632 PolarHBondContact O-N 3.46Å; N629-V632 PolarHBondContact O-N 3.32Å; V632-L635 PolarHBondContact O-N 3.34Å; V632-K636 WeakPolarHBondContact O-CB 3.45Å; V632-K636 PolarHBondContact O-N 2.96Å
633C56.7Low51.1Low43 Ų4364.1 Ų64.129%0.29134%0.343SS..Hα-helixtrans-59.7-45.8168.8-84.80000110.9N629 L635 K636 E637N629-C633 VanDerWaalsContact O-CB 3.22Å; N629-C633 WeakPolarHBondContact O-CB 3.1Å; N629-C633 PolarHBondContact O-N 3.04Å; C633-L635 VanDerWaalsContact C-N 3.33Å; C633-L635 PolarHBondContact O-N 2.79Å; C633-K636 PolarHBondContact O-N 2.95Å; C633-E637 WeakPolarHBondContact O-CA 3.23Å; C633-E637 WeakPolarHBondContact O-CB 3.49Å; C633-E637 WeakPolarHBondContact O-CG 3.48Å; C633-E637 PolarHBondContact O-N 3.19Å
634A53.4Low50.7Low61 Ų6160.5 Ų60.550%0.50433%0.326SS..Hα-helixtrans-66.7-33177.200000113A630 I631 Q638A630-A634 WeakPolarHBondContact O-CB 3.42Å; A630-A634 PolarHBondContact O-N 2.87Å; I631-A634 CarbonylContact O-C 3.57Å; I631-A634 PolarHBondContact O-N 2.71Å; A634-Q638 PolarHBondContact O-N 2.99Å
635L55.1Low49.8Very low35 Ų3557.6 Ų57.618%0.18332%0.316CS..Hα-helixtrans-72-37.8174.7-74.4169.2000111.4I552 I631 V632 C633 Q638I552-L635 HydrophobicContact CD1-CB 4.26Å; I552-L635 VanDerWaalsContact CD1-O 3.32Å; I552-L635 WeakPolarHBondContact CD1-O 3.41Å; I552-L635 WeakPolarHBondContact CG1-O 3.32Å; I631-L635 HydrophobicContact CG2-CD1 3.67Å; I631-L635 HydrophobicContact CG2-CG 4.19Å; I631-L635 VanDerWaalsContact O-CB 3.31Å; I631-L635 WeakPolarHBondContact O-CB 3.49Å; I631-L635 WeakPolarHBondContact O-CG 3.43Å; I631-L635 PolarHBondContact O-N 3.18Å; V632-L635 PolarHBondContact O-N 3.34Å; C633-L635 VanDerWaalsContact C-N 3.33Å; C633-L635 PolarHBondContact O-N 2.79Å; L635-Q638 WeakPolarHBondContact O-CB 3.43Å
636K53.5Low49.9Very low25 Ų2557.5 Ų57.511%0.10932%0.317CS..Hα-helixtrans-75.8-40.5175-83.3-170.7178.3179.80113.5Y605 E606 V632 C633 Q638Y605-K636 HydrophobicContact CD1-CD 4.5Å; Y605-K636 VanDerWaalsContact CD1-NZ 3.27Å; Y605-K636 HydrophobicContact CE1-CD 4.47Å; E606-K636 IonicContact OE1-NZ 2.68Å; E606-K636 PolarHBondContact OE1-NZ 3.11Å; E606-K636 IonicContact OE2-NZ 2.55Å; V632-K636 WeakPolarHBondContact O-CB 3.45Å; V632-K636 PolarHBondContact O-N 2.96Å; C633-K636 PolarHBondContact O-N 2.95Å; K636-Q638 PolarHBondContact O-N 3.19Å
637E48.1Very low50Low80 Ų8051.4 Ų51.437%0.37430%0.298SS..THydrogen-bonded Turntrans-81.511.8174.7-66.4-172.9159.500111.4K498 C633 S639K498-E637 WeakPolarHBondContact CE-OE1 3.3Å; K498-E637 IonicContact NZ-OE1 2.68Å; K498-E637 PolarHBondContact NZ-OE1 3.45Å; C633-E637 WeakPolarHBondContact O-CA 3.23Å; C633-E637 WeakPolarHBondContact O-CB 3.49Å; C633-E637 WeakPolarHBondContact O-CG 3.48Å; C633-E637 PolarHBondContact O-N 3.19Å; E637-S639 PolarHBondContact O-N 3.4Å
638Q51Low49.9Very low94 Ų9450.1 Ų50.144%0.43929%0.289SS..  trans-45.2120173.3-112.7-169.9-15.900107.5I552 A634 L635 K636 L640I552-Q638 VanDerWaalsContact CG2-OE1 3.32Å; A634-Q638 PolarHBondContact O-N 2.99Å; L635-Q638 WeakPolarHBondContact O-CB 3.43Å; K636-Q638 PolarHBondContact O-N 3.19Å; Q638-L640 PolarHBondContact O-N 2.87Å
639S49.8Very low49.7Very low59 Ų5952.4 Ų52.441%0.41330%0.302SS..  trans-49.2136.5-178.852.90000108.1E637 T641E637-S639 PolarHBondContact O-N 3.4Å; S639-T641 PolarHBondContact O-N 3.29Å; S639-T641 VanDerWaalsContact O-N 3.15Å
640L50Low49.6Very low0 Ų051.8 Ų51.80%030%0.301CS..  trans-32.7126.2165.5-91.9127.1000109.8A491 K492 W495 V503 F507 N523 Q638 T642A491-L640 HydrophobicContact CB-CD1 4.4Å; A491-L640 HydrophobicContact CB-CD2 4.09Å; K492-L640 HydrophobicContact CB-CB 4.3Å; W495-L640 HydrophobicContact CB-CD1 3.16Å; W495-L640 HydrophobicContact CD2-CD1 3.47Å; W495-L640 VanDerWaalsContact CD2-CD1 3.47Å; W495-L640 HydrophobicContact CD2-CG 4.21Å; W495-L640 HydrophobicContact CE3-CD1 3.42Å; W495-L640 VanDerWaalsContact CE3-CD1 3.42Å; W495-L640 HydrophobicContact CE3-CG 4.07Å; W495-L640 HydrophobicContact CG-CD1 3.39Å; W495-L640 HydrophobicContact CG-CG 4.42Å; W495-L640 HydrophobicContact CZ3-CD1 4.33Å; V503-L640 HydrophobicContact CG1-CD1 4.13Å; V503-L640 HydrophobicContact CG1-CD2 4.43Å; F507-L640 HydrophobicContact CE2-CD2 3.66Å; F507-L640 HydrophobicContact CZ-CD2 3.37Å; N523-L640 HydrophobicContact CB-CD2 3.46Å; N523-L640 VanDerWaalsContact CB-CD2 3.46Å; N523-L640 VanDerWaalsContact CG-CD2 3.42Å; Q638-L640 PolarHBondContact O-N 2.87Å; L640-T642 PolarHBondContact O-N 3.25Å
641T51.1Low49.3Very low31 Ų3151.1 Ų51.119%0.1929%0.287CS..  trans-62.9111.8-173.751.80000108.1L522 N523 S639 E643L522-T641 HydrophobicContact CD2-CG2 3.69Å; L522-T641 WeakPolarHBondContact CD2-OG1 3.43Å; N523-T641 PolarHBondContact ND2-O 3.1Å; N523-T641 PolarHBondContact ND2-OG1 3.29Å; N523-T641 PolarHBondContact OD1-N 3.3Å; N523-T641 PolarHBondContact OD1-OG1 3.45Å; S639-T641 PolarHBondContact O-N 3.29Å; S639-T641 VanDerWaalsContact O-N 3.15Å; T641-E643 PolarHBondContact O-N 2.92Å
642T49.8Very low48.9Very low28 Ų2849.2 Ų49.217%0.17228%0.279CS..  trans-89.125.4168.4520000110.7K492 L640 C644 V645K492-T642 HydrophobicContact CB-CG2 4.5Å; K492-T642 HydrophobicContact CD-CG2 3.54Å; L640-T642 PolarHBondContact O-N 3.25Å; T642-C644 PolarHBondContact O-N 3Å; T642-V645 WeakPolarHBondContact O-CA 3.06Å; T642-V645 VanDerWaalsContact O-CB 3.31Å; T642-V645 WeakPolarHBondContact O-CB 3.35Å; T642-V645 PolarHBondContact O-N 2.77Å
643E43.7Very low48.2Very low152 Ų15253 Ų5371%0.7130%0.3SS*.THydrogen-bonded Turntrans-56.1-19.8179.3-76.8-171.3161.700113.7T641 V645T641-E643 PolarHBondContact O-N 2.92Å; E643-V645 VanDerWaalsContact C-N 3.27Å
644C35.8Very low47.5Very low43 Ų4353.8 Ų53.829%0.29130%0.301SS..THydrogen-bonded Turntrans-69.9-21.5172.6-590000113.7L484 P485 S519 T642L484-C644 HydrophobicContact CD2-CB 4.08Å; L484-C644 WeakPolarHBondContact CD2-SG 3.21Å; P485-C644 HydrophobicContact CG-CB 4.33Å; S519-C644 PolarHBondContact OG-SG 3.36Å; T642-C644 PolarHBondContact O-N 3Å
645V28.2Very low46.9Very low38 Ų3853.2 Ų53.223%0.2328%0.283CS..  trans-850169.7-171.80000109.6K360 F421 P485 T642 E643K360-V645 PolarHBondContact NZ-OXT 3.19Å; F421-V645 HydrophobicContact CE1-CG1 4.2Å; F421-V645 HydrophobicContact CZ-CG1 4.48Å; F421-V645 HydrophobicContact CZ-CG2 4.19Å; P485-V645 HydrophobicContact CB-CG2 3.98Å; T642-V645 WeakPolarHBondContact O-CA 3.06Å; T642-V645 VanDerWaalsContact O-CB 3.31Å; T642-V645 WeakPolarHBondContact O-CB 3.35Å; T642-V645 PolarHBondContact O-N 2.77Å; E643-V645 VanDerWaalsContact C-N 3.27Å

Retrieved 645 of 645 residues in 205.4 ms (Link to these results)

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