A0A096N910_PAPAN Loading...

Sterol-C5-desaturase

AlphaFold DB , UniProt , Accession A0A096N910, Species PAPAN (Papio anubis, Olive baboon), Gene SC5D, Length 299 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
1M88.8Confident94Very high18 Ų1860.5 Ų60.59%0.08930%0.303CS..  0-32.50-78.7-53.8-66.800111.5L3 V4 L5 L34 V37 F95 E98M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-V4 HydrophobicContact CE-CB 4.5Å; M1-V4 PolarHBondContact O-N 3.43Å; M1-V4 VanDerWaalsContact O-N 3.08Å; M1-L5 WeakPolarHBondContact O-CB 3.32Å; M1-L5 PolarHBondContact O-N 3.32Å; M1-L34 HydrophobicContact CB-CD2 4.15Å; M1-L34 HydrophobicContact CE-CD2 4.07Å; M1-V37 HydrophobicContact CE-CG1 4.17Å; M1-F95 HydrophobicContact CB-CB 4.24Å; M1-F95 HydrophobicContact CB-CG 4.32Å; M1-F95 HydrophobicContact CE-CD2 4.22Å; M1-F95 HydrophobicContact CE-CE2 4.27Å; M1-F95 HydrophobicContact CG-CB 3.94Å; M1-F95 HydrophobicContact CG-CD1 3.5Å; M1-F95 HydrophobicContact CG-CD2 3.76Å; M1-F95 HydrophobicContact CG-CE1 3.8Å; M1-F95 HydrophobicContact CG-CE2 4.04Å; M1-F95 HydrophobicContact CG-CG 3.48Å; M1-F95 VanDerWaalsContact CG-CG 3.48Å; M1-F95 HydrophobicContact CG-CZ 4.05Å; M1-F95 HydrophobicContact SD-CD2 4.34Å; M1-F95 HydrophobicContact SD-CE1 4.49Å; M1-F95 HydrophobicContact SD-CE2 4.15Å; M1-F95 HydrophobicContact SD-CZ 4.23Å; M1-E98 PolarHBondContact N-OE1 3.38Å
2D89.4Confident94.2Very high36 Ų3665.3 Ų65.319%0.19332%0.321CS..Hα-helixtrans-42-48.2164.664-28.8000115.1V4 L5 S6 L99 K191D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.35Å; D2-L5 PolarHBondContact O-N 3.09Å; D2-S6 VanDerWaalsContact O-CB 3.32Å; D2-S6 WeakPolarHBondContact O-CB 3.43Å; D2-S6 PolarHBondContact O-N 2.9Å; D2-S6 PolarHBondContact O-OG 3.28Å; D2-S6 VanDerWaalsContact O-OG 3.11Å; D2-L99 HydrophobicContact CB-CD1 3.5Å; D2-L99 VanDerWaalsContact CB-CD1 3.5Å; D2-K191 VanDerWaalsContact OD2-CE 3.25Å; D2-K191 WeakPolarHBondContact OD2-CE 3.45Å; D2-K191 IonicContact OD2-NZ 3.01Å; D2-K191 PolarHBondContact OD2-NZ 3.06Å
3L92Very high94.4Very high57 Ų5760.7 Ų60.730%0.29830%0.298SS..Hα-helixtrans-60.9-39.1177.7-67.9175.9000112.8M1 S6 V7 K191 V192 L195M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.49Å; L3-S6 PolarHBondContact O-OG 3.05Å; L3-S6 VanDerWaalsContact O-OG 3.07Å; L3-V7 VanDerWaalsContact O-CG2 3.28Å; L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 2.86Å; L3-K191 HydrophobicContact CD1-CB 3.94Å; L3-V192 HydrophobicContact CD1-CG2 4.19Å; L3-L195 HydrophobicContact CB-CD1 4.24Å; L3-L195 HydrophobicContact CD1-CD1 4.01Å
4V93.5Very high94.5Very high55 Ų5560 Ų6033%0.33330%0.299SS..Hα-helixtrans-75.5-42-179.5-175.40000109.8M1 D2 A8 V37 L195M1-V4 HydrophobicContact CE-CB 4.5Å; M1-V4 PolarHBondContact O-N 3.43Å; M1-V4 VanDerWaalsContact O-N 3.08Å; D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.35Å; V4-A8 WeakPolarHBondContact O-CB 3.37Å; V4-A8 PolarHBondContact O-N 3.49Å; V4-V37 HydrophobicContact CG1-CG1 3.54Å; V4-L195 HydrophobicContact CG2-CD1 4.16Å; V4-L195 HydrophobicContact CG2-CD2 4.1Å
5L95.1Very high94.6Very high4 Ų460.7 Ų60.72%0.02131%0.31CS..Hα-helixtrans-66.9-42.6-179.5-177.761.5000111.4M1 D2 V7 A8 D9 Q30 S33 L34 L99M1-L5 WeakPolarHBondContact O-CB 3.32Å; M1-L5 PolarHBondContact O-N 3.32Å; D2-L5 PolarHBondContact O-N 3.09Å; L5-V7 VanDerWaalsContact C-N 3.34Å; L5-V7 PolarHBondContact O-N 3.22Å; L5-A8 CarbonylContact O-C 3.58Å; L5-A8 PolarHBondContact O-N 3.41Å; L5-A8 VanDerWaalsContact O-N 3.14Å; L5-D9 WeakPolarHBondContact CG-OD2 3.25Å; L5-D9 WeakPolarHBondContact O-CB 3.36Å; L5-D9 PolarHBondContact O-N 2.95Å; L5-Q30 HydrophobicContact CD2-CG 4.29Å; L5-S33 VanDerWaalsContact CD1-CB 3.41Å; L5-L34 HydrophobicContact CD2-CD2 4.12Å; L5-L34 HydrophobicContact CD2-CG 4.15Å; L5-L99 HydrophobicContact CD2-CD1 4.3Å; L5-L99 HydrophobicContact CD2-CD2 3.56Å
6S94.1Very high94.7Very high61 Ų6168 Ų6843%0.42733%0.334SS..Hα-helixtrans-61.9-41.3178.164.50000112.2D2 L3 D9 Y10D2-S6 VanDerWaalsContact O-CB 3.32Å; D2-S6 WeakPolarHBondContact O-CB 3.43Å; D2-S6 PolarHBondContact O-N 2.9Å; D2-S6 PolarHBondContact O-OG 3.28Å; D2-S6 VanDerWaalsContact O-OG 3.11Å; L3-S6 PolarHBondContact O-OG 3.05Å; L3-S6 VanDerWaalsContact O-OG 3.07Å; S6-D9 PolarHBondContact O-N 3.08Å; S6-Y10 VanDerWaalsContact O-CB 3.28Å; S6-Y10 WeakPolarHBondContact O-CB 3.29Å; S6-Y10 PolarHBondContact O-N 3.12Å
7V95.6Very high94.8Very high83 Ų8368 Ų6850%0.50334%0.339SS..Hα-helixtrans-63.6-44.8173.3171.60000110.7L3 L5 Y10 Y11L3-V7 VanDerWaalsContact O-CG2 3.28Å; L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 2.86Å; L5-V7 VanDerWaalsContact C-N 3.34Å; L5-V7 PolarHBondContact O-N 3.22Å; V7-Y10 PolarHBondContact O-N 2.95Å; V7-Y11 HydrophobicContact CG1-CD2 3.84Å; V7-Y11 HydrophobicContact CG1-CE2 4.24Å; V7-Y11 WeakPolarHBondContact O-CD2 3.3Å; V7-Y11 PolarHBondContact O-N 3.46Å
8A96.3Very high94.9Very high20 Ų2065.4 Ų65.417%0.16533%0.325CS..Hα-helixtrans-65.3-40.6178.900000112.4V4 L5 F12 F13 V37V4-A8 WeakPolarHBondContact O-CB 3.37Å; V4-A8 PolarHBondContact O-N 3.49Å; L5-A8 CarbonylContact O-C 3.58Å; L5-A8 PolarHBondContact O-N 3.41Å; L5-A8 VanDerWaalsContact O-N 3.14Å; A8-F12 CarbonylContact O-C 3.57Å; A8-F12 WeakPolarHBondContact O-CA 3.39Å; A8-F12 WeakPolarHBondContact O-CB 3.1Å; A8-F12 PolarHBondContact O-N 3.01Å; A8-F13 HydrophobicContact CB-CD2 3.82Å; A8-F13 HydrophobicContact CB-CE2 3.64Å; A8-F13 PolarHBondContact O-N 3.06Å; A8-V37 HydrophobicContact CB-CG2 3.94Å
9D96.1Very high94.9Very high6 Ų665.7 Ų65.73%0.03233%0.332CS..Iπ-helixtrans-63.6-50.3175.3-81.7-43.7000110.9L5 S6 Y11 F13 T14 P15 E24 R29L5-D9 WeakPolarHBondContact CG-OD2 3.25Å; L5-D9 WeakPolarHBondContact O-CB 3.36Å; L5-D9 PolarHBondContact O-N 2.95Å; S6-D9 PolarHBondContact O-N 3.08Å; D9-Y11 PolarHBondContact O-N 3.24Å; D9-F13 WeakPolarHBondContact OD1-CB 3.08Å; D9-T14 VanDerWaalsContact O-CB 3.23Å; D9-T14 WeakPolarHBondContact O-CB 3.39Å; D9-T14 PolarHBondContact O-N 3.21Å; D9-T14 PolarHBondContact O-OG1 2.81Å; D9-P15 WeakPolarHBondContact O-CD 3.2Å; D9-E24 HydrophobicContact CB-CG 4.29Å; D9-R29 IonicContact OD1-CZ 3.95Å; D9-R29 IonicContact OD1-NE 3.77Å; D9-R29 IonicContact OD1-NH2 3.53Å; D9-R29 PolarHBondContact OD1-NH2 3.07Å
10Y96.2Very high94.8Very high164 Ų16468.1 Ų68.164%0.64336%0.362SS*.Iπ-helixtrans-60.8-48-178.6-177.8-97.1000113.1S6 V7 P15S6-Y10 VanDerWaalsContact O-CB 3.28Å; S6-Y10 WeakPolarHBondContact O-CB 3.29Å; S6-Y10 PolarHBondContact O-N 3.12Å; V7-Y10 PolarHBondContact O-N 2.95Å; Y10-P15 WeakPolarHBondContact O-CG 3.4Å
11Y96.8Very high94.8Very high161 Ų16170.9 Ų70.963%0.63138%0.382SS*.Iπ-helixtrans-89.7-22.9-173.5-73.6-70.8000114.4V7 D9V7-Y11 HydrophobicContact CG1-CD2 3.84Å; V7-Y11 HydrophobicContact CG1-CE2 4.24Å; V7-Y11 WeakPolarHBondContact O-CD2 3.3Å; V7-Y11 PolarHBondContact O-N 3.46Å; D9-Y11 PolarHBondContact O-N 3.24Å
12F96.8Very high95.2Very high118 Ų11874 Ų7452%0.51839%0.393SS..Iπ-helixtrans-134.5-58.1-168.8-171-106.9000114.4A8 Y16 V17A8-F12 CarbonylContact O-C 3.57Å; A8-F12 WeakPolarHBondContact O-CA 3.39Å; A8-F12 WeakPolarHBondContact O-CB 3.1Å; A8-F12 PolarHBondContact O-N 3.01Å; F12-Y16 HydrophobicContact CD2-CD2 4.19Å; F12-Y16 WeakPolarHBondContact O-CB 3.47Å; F12-Y16 WeakPolarHBondContact O-CD2 3.49Å; F12-Y16 PolarHBondContact O-N 2.96Å; F12-Y16 VanDerWaalsContact O-N 3.15Å; F12-V17 HydrophobicContact CD1-CG2 4.06Å; F12-V17 HydrophobicContact CE1-CG2 3.67Å; F12-V17 HydrophobicContact CZ-CG2 4.16Å
13F97Very high95.5Very high6 Ų675.6 Ų75.63%0.02641%0.405CS..Iπ-helixtrans-72.4-45.3-170.1-63.3-56000113.3A8 D9 V17 Y18 I36 V37A8-F13 HydrophobicContact CB-CD2 3.82Å; A8-F13 HydrophobicContact CB-CE2 3.64Å; A8-F13 PolarHBondContact O-N 3.06Å; D9-F13 WeakPolarHBondContact OD1-CB 3.08Å; F13-V17 HydrophobicContact CB-CB 4.45Å; F13-V17 HydrophobicContact CD1-CB 4.06Å; F13-V17 HydrophobicContact CD1-CG1 4.24Å; F13-V17 HydrophobicContact CD1-CG2 3.9Å; F13-V17 WeakPolarHBondContact O-CA 3.2Å; F13-V17 WeakPolarHBondContact O-CB 3.32Å; F13-V17 PolarHBondContact O-N 3.36Å; F13-Y18 HydrophobicContact CB-CD2 3.69Å; F13-Y18 HydrophobicContact CB-CE2 3.65Å; F13-Y18 HydrophobicContact CD1-CE2 4.22Å; F13-Y18 HydrophobicContact CG-CD2 4.49Å; F13-Y18 AromaticContact CG-CE2 3.98Å; F13-Y18 HydrophobicContact CG-CE2 3.98Å; F13-Y18 PolarHBondContact O-N 2.95Å; F13-I36 HydrophobicContact CE1-CD1 4.2Å; F13-I36 HydrophobicContact CE1-CG2 4.12Å; F13-I36 HydrophobicContact CZ-CB 4.14Å; F13-I36 HydrophobicContact CZ-CG2 3.91Å; F13-V37 HydrophobicContact CE2-CG2 3.51Å; F13-V37 HydrophobicContact CZ-CG2 3.76Å
14T95.6Very high95.7Very high51 Ų5177.2 Ų77.231%0.31341%0.411SS..Hα-helixtrans-64.9-44.2179.2-60.10000112.2D9 E24 R29D9-T14 VanDerWaalsContact O-CB 3.23Å; D9-T14 WeakPolarHBondContact O-CB 3.39Å; D9-T14 PolarHBondContact O-N 3.21Å; D9-T14 PolarHBondContact O-OG1 2.81Å; T14-E24 PolarHBondContact OG1-OE1 3.06Å; T14-R29 PolarHBondContact OG1-NH2 3.43Å
15P96.1Very high95.7Very high71 Ų7179.8 Ų79.846%0.46142%0.423SS..Hα-helixtrans-76.8-29.3-177.9-18.533.2000114.7D9 Y10D9-P15 WeakPolarHBondContact O-CD 3.2Å; Y10-P15 WeakPolarHBondContact O-CG 3.4Å
16Y96.6Very high95.8Very high177 Ų17781.8 Ų81.869%0.69443%0.433SS*.Hα-helixtrans-126.3-17.9-165.9-53.9-69.1000116F12F12-Y16 HydrophobicContact CD2-CD2 4.19Å; F12-Y16 WeakPolarHBondContact O-CB 3.47Å; F12-Y16 WeakPolarHBondContact O-CD2 3.49Å; F12-Y16 PolarHBondContact O-N 2.96Å; F12-Y16 VanDerWaalsContact O-N 3.15Å
17V96.3Very high95.9Very high68 Ų6882.6 Ų82.641%0.41243%0.432SS..THydrogen-bonded Turntrans-113.9-51.7-171-178.60000111.9F12 F13F12-V17 HydrophobicContact CD1-CG2 4.06Å; F12-V17 HydrophobicContact CE1-CG2 3.67Å; F12-V17 HydrophobicContact CZ-CG2 4.16Å; F13-V17 HydrophobicContact CB-CB 4.45Å; F13-V17 HydrophobicContact CD1-CB 4.06Å; F13-V17 HydrophobicContact CD1-CG1 4.24Å; F13-V17 HydrophobicContact CD1-CG2 3.9Å; F13-V17 WeakPolarHBondContact O-CA 3.2Å; F13-V17 WeakPolarHBondContact O-CB 3.32Å; F13-V17 PolarHBondContact O-N 3.36Å
18Y96.4Very high96Very high22 Ų2285.5 Ų85.59%0.08644%0.438CS..SBendtrans-95.9145-177.3-61.4-61.4000111.9F13 W22 R29 I32 S33F13-Y18 HydrophobicContact CB-CD2 3.69Å; F13-Y18 HydrophobicContact CB-CE2 3.65Å; F13-Y18 HydrophobicContact CD1-CE2 4.22Å; F13-Y18 HydrophobicContact CG-CD2 4.49Å; F13-Y18 AromaticContact CG-CE2 3.98Å; F13-Y18 HydrophobicContact CG-CE2 3.98Å; F13-Y18 PolarHBondContact O-N 2.95Å; Y18-W22 HydrophobicContact CD1-CD2 4.41Å; Y18-W22 AromaticContact CD1-CE3 3.8Å; Y18-W22 HydrophobicContact CD1-CE3 3.8Å; Y18-W22 HydrophobicContact CD1-CZ3 4.03Å; Y18-W22 HydrophobicContact CE1-CE3 4.36Å; Y18-W22 HydrophobicContact CE1-CZ3 4.21Å; Y18-R29 HydrophobicContact CD1-CG 4.24Å; Y18-R29 HydrophobicContact CD2-CG 3.78Å; Y18-R29 HydrophobicContact CE1-CG 4.03Å; Y18-R29 HydrophobicContact CE2-CG 3.53Å; Y18-R29 HydrophobicContact CG-CG 4.13Å; Y18-R29 PolarHBondContact OH-O 3.45Å; Y18-I32 WeakPolarHBondContact OH-CG2 3.32Å; Y18-S33 WeakPolarHBondContact CE2-OG 3.24Å; Y18-S33 PolarHBondContact OH-N 2.8Å; Y18-S33 PolarHBondContact OH-OG 2.96Å
19P95.4Very high96.1Very high71 Ų7184.9 Ų84.946%0.46143%0.432SS..  trans-67.3150.2172.230.2-34.2000110.2T21 W22P19-T21 PolarHBondContact O-N 3.34Å; P19-W22 HydrophobicContact CG-CB 4.06Å; P19-W22 PolarHBondContact O-N 3.22Å
20A92.4Very high96.1Very high112 Ų11285.4 Ų85.493%0.92643%0.434SS*.THydrogen-bonded Turntrans-56.9-18.7178.200000114
21T95.5Very high96.2Very high128 Ų12879.6 Ų79.679%0.78542%0.415SS*.THydrogen-bonded Turntrans-81.7-6.7177.1570000114.3P19 P23P19-T21 PolarHBondContact O-N 3.34Å; T21-P23 WeakPolarHBondContact O-CD 3.46Å
22W96.6Very high96.3Very high83 Ų8375.4 Ų75.431%0.31440%0.403SS..SBendtrans-106101.8-179-160.8-10.1000110.6Y18 P19 D26 F28 R29 I32Y18-W22 HydrophobicContact CD1-CD2 4.41Å; Y18-W22 AromaticContact CD1-CE3 3.8Å; Y18-W22 HydrophobicContact CD1-CE3 3.8Å; Y18-W22 HydrophobicContact CD1-CZ3 4.03Å; Y18-W22 HydrophobicContact CE1-CE3 4.36Å; Y18-W22 HydrophobicContact CE1-CZ3 4.21Å; P19-W22 HydrophobicContact CG-CB 4.06Å; P19-W22 PolarHBondContact O-N 3.22Å; W22-D26 PolarHBondContact NE1-OD1 3.49Å; W22-F28 HydrophobicContact CZ2-CB 4.05Å; W22-R29 HydrophobicContact CD2-CB 4.42Å; W22-R29 HydrophobicContact CZ2-CB 4.28Å; W22-R29 PolarHBondContact O-NH1 3.18Å; W22-I32 HydrophobicContact CH2-CD1 4.07Å
23P95.5Very high96.3Very high70 Ų7069.8 Ų69.846%0.45538%0.379SS..  trans-63.6148.7-172-24.436.2000114.2T21 D25 D26 R29T21-P23 WeakPolarHBondContact O-CD 3.46Å; P23-D25 WeakPolarHBondContact CB-OD1 3.06Å; P23-D25 PolarHBondContact O-N 3.49Å; P23-D26 VanDerWaalsContact O-CB 3.3Å; P23-D26 WeakPolarHBondContact O-CB 3.3Å; P23-D26 PolarHBondContact O-N 2.99Å; P23-R29 WeakPolarHBondContact O-CD 3.4Å
24E95.3Very high96.4Very high91 Ų9169.5 Ų69.543%0.42538%0.377SS..THydrogen-bonded Turntrans-62.2-27.3177.3-77175.7-167.700113.6D9 T14 D26 R29 Q30D9-E24 HydrophobicContact CB-CG 4.29Å; T14-E24 PolarHBondContact OG1-OE1 3.06Å; E24-D26 VanDerWaalsContact C-N 3.34Å; E24-R29 VanDerWaalsContact CG-NH1 3.35Å; E24-R29 VanDerWaalsContact CG-NH2 3.31Å; E24-Q30 VanDerWaalsContact O-CG 3.25Å; E24-Q30 WeakPolarHBondContact O-CG 3.49Å; E24-Q30 PolarHBondContact O-NE2 2.9Å; E24-Q30 VanDerWaalsContact O-NE2 3.17Å
25D94.9Very high96.5Very high108 Ų10869.6 Ų69.658%0.57838%0.376SS*.THydrogen-bonded Turntrans-88.1-0.3179.268.8-37.2000113.7P23 R100P23-D25 WeakPolarHBondContact CB-OD1 3.06Å; P23-D25 PolarHBondContact O-N 3.49Å; D25-R100 PolarHBondContact O-NH1 3.11Å; D25-R100 VanDerWaalsContact O-NH1 3.13Å; D25-R100 PolarHBondContact O-NH2 3.2Å
26D97.1Very high96.6Very high46 Ų4669.7 Ų69.725%0.24637%0.372CS..  trans-66.7134174.8178.4-96.2000111.5W22 P23 E24 F28 R29 Q30W22-D26 PolarHBondContact NE1-OD1 3.49Å; P23-D26 VanDerWaalsContact O-CB 3.3Å; P23-D26 WeakPolarHBondContact O-CB 3.3Å; P23-D26 PolarHBondContact O-N 2.99Å; E24-D26 VanDerWaalsContact C-N 3.34Å; D26-F28 PolarHBondContact O-N 3.35Å; D26-F28 WeakPolarHBondContact OD1-CA 3.28Å; D26-F28 WeakPolarHBondContact OD1-CB 3.41Å; D26-F28 PolarHBondContact OD1-N 3.3Å; D26-R29 HydrophobicContact CB-CB 4.07Å; D26-R29 PolarHBondContact O-N 2.88Å; D26-R29 PolarHBondContact OD1-N 3.17Å; D26-Q30 WeakPolarHBondContact O-CB 3.39Å; D26-Q30 VanDerWaalsContact O-CG 3.28Å; D26-Q30 WeakPolarHBondContact O-CG 3.48Å; D26-Q30 PolarHBondContact O-N 3.17Å
27I96.8Very high96.6Very high78 Ų7862.3 Ų62.340%0.435%0.345SS..Hα-helixtrans-67.3-34.8-173.1-164.2170.5000113T31 L96 R100I27-T31 WeakPolarHBondContact O-CB 3.43Å; I27-T31 PolarHBondContact O-N 3.06Å; I27-T31 PolarHBondContact O-OG1 3.09Å; I27-L96 HydrophobicContact CD1-CD2 4.12Å; I27-L96 HydrophobicContact CG1-CD1 4.3Å; I27-L96 HydrophobicContact CG1-CD2 3.84Å; I27-R100 VanDerWaalsContact CA-NH2 3.3Å
28F97.1Very high96.6Very high145 Ų14559.6 Ų59.664%0.63633%0.328SS*.Hα-helixtrans-73.4-43.4179.7-63.6-75.8000110.2W22 D26 T31 I32W22-F28 HydrophobicContact CZ2-CB 4.05Å; D26-F28 PolarHBondContact O-N 3.35Å; D26-F28 WeakPolarHBondContact OD1-CA 3.28Å; D26-F28 WeakPolarHBondContact OD1-CB 3.41Å; D26-F28 PolarHBondContact OD1-N 3.3Å; F28-T31 PolarHBondContact O-N 3.15Å; F28-I32 VanDerWaalsContact O-CG1 3.29Å; F28-I32 WeakPolarHBondContact O-CG1 3.34Å; F28-I32 PolarHBondContact O-N 3.48Å
29R97.1Very high96.7Very high7 Ų759.6 Ų59.63%0.02633%0.33CS..Hα-helixtrans-56.4-52.5172.9-172.8-171.3162.7159.3-3.1111.1D9 T14 Y18 W22 P23 E24 D26 T31 I32 S33D9-R29 IonicContact OD1-CZ 3.95Å; D9-R29 IonicContact OD1-NE 3.77Å; D9-R29 IonicContact OD1-NH2 3.53Å; D9-R29 PolarHBondContact OD1-NH2 3.07Å; T14-R29 PolarHBondContact OG1-NH2 3.43Å; Y18-R29 HydrophobicContact CD1-CG 4.24Å; Y18-R29 HydrophobicContact CD2-CG 3.78Å; Y18-R29 HydrophobicContact CE1-CG 4.03Å; Y18-R29 HydrophobicContact CE2-CG 3.53Å; Y18-R29 HydrophobicContact CG-CG 4.13Å; Y18-R29 PolarHBondContact OH-O 3.45Å; W22-R29 HydrophobicContact CD2-CB 4.42Å; W22-R29 HydrophobicContact CZ2-CB 4.28Å; W22-R29 PolarHBondContact O-NH1 3.18Å; P23-R29 WeakPolarHBondContact O-CD 3.4Å; E24-R29 VanDerWaalsContact CG-NH1 3.35Å; E24-R29 VanDerWaalsContact CG-NH2 3.31Å; D26-R29 HydrophobicContact CB-CB 4.07Å; D26-R29 PolarHBondContact O-N 2.88Å; D26-R29 PolarHBondContact OD1-N 3.17Å; R29-T31 VanDerWaalsContact C-N 3.31Å; R29-T31 PolarHBondContact O-N 3.35Å; R29-I32 PolarHBondContact O-N 3.48Å; R29-S33 WeakPolarHBondContact O-CB 3.46Å; R29-S33 PolarHBondContact O-N 3.29Å; R29-S33 PolarHBondContact O-OG 3Å; R29-S33 VanDerWaalsContact O-OG 3.09Å
30Q97.6Very high96.8Very high17 Ų1760 Ų608%0.07933%0.331CS..Hα-helixtrans-58.8-42.7179.1-72.6179.9-1500111.9L5 E24 D26 S33 L34 L96 L99L5-Q30 HydrophobicContact CD2-CG 4.29Å; E24-Q30 VanDerWaalsContact O-CG 3.25Å; E24-Q30 WeakPolarHBondContact O-CG 3.49Å; E24-Q30 PolarHBondContact O-NE2 2.9Å; E24-Q30 VanDerWaalsContact O-NE2 3.17Å; D26-Q30 WeakPolarHBondContact O-CB 3.39Å; D26-Q30 VanDerWaalsContact O-CG 3.28Å; D26-Q30 WeakPolarHBondContact O-CG 3.48Å; D26-Q30 PolarHBondContact O-N 3.17Å; Q30-S33 PolarHBondContact O-N 3.07Å; Q30-L34 WeakPolarHBondContact O-CB 3.47Å; Q30-L34 WeakPolarHBondContact O-CG 3.27Å; Q30-L34 PolarHBondContact O-N 3.4Å; Q30-L96 HydrophobicContact CB-CD1 3.97Å; Q30-L99 HydrophobicContact CB-CD2 4.03Å; Q30-L99 HydrophobicContact CG-CD2 3.83Å
31T98.1Very high97Very high41 Ų4156.3 Ų56.325%0.25230%0.304SS..Hα-helixtrans-61.6-46.3178.3-58.50000111.6I27 F28 R29 L35 V92I27-T31 WeakPolarHBondContact O-CB 3.43Å; I27-T31 PolarHBondContact O-N 3.06Å; I27-T31 PolarHBondContact O-OG1 3.09Å; F28-T31 PolarHBondContact O-N 3.15Å; R29-T31 VanDerWaalsContact C-N 3.31Å; R29-T31 PolarHBondContact O-N 3.35Å; T31-L35 HydrophobicContact CG2-CD1 4.39Å; T31-L35 WeakPolarHBondContact O-CG 3.3Å; T31-L35 PolarHBondContact O-N 3.24Å; T31-V92 HydrophobicContact CG2-CG1 4.22Å
32I97.8Very high97.1Very high73 Ų7350.7 Ų50.737%0.37427%0.271SS..Hα-helixtrans-65.3-47.7178.8-65.7165.6000110.3Y18 W22 F28 R29 L34 L35 I36Y18-I32 WeakPolarHBondContact OH-CG2 3.32Å; W22-I32 HydrophobicContact CH2-CD1 4.07Å; F28-I32 VanDerWaalsContact O-CG1 3.29Å; F28-I32 WeakPolarHBondContact O-CG1 3.34Å; F28-I32 PolarHBondContact O-N 3.48Å; R29-I32 PolarHBondContact O-N 3.48Å; I32-L34 PolarHBondContact O-N 3.24Å; I32-L35 WeakPolarHBondContact O-CB 3.48Å; I32-L35 PolarHBondContact O-N 3.01Å; I32-I36 HydrophobicContact CG2-CD1 3.95Å; I32-I36 WeakPolarHBondContact O-CG1 3.16Å; I32-I36 PolarHBondContact O-N 3.18Å
33S97.9Very high97.2Very high0 Ų049.6 Ų49.60%027%0.267CS..Hα-helixtrans-60.1-44.2177.7-63.70000112L5 Y18 R29 Q30 I36 V37L5-S33 VanDerWaalsContact CD1-CB 3.41Å; Y18-S33 WeakPolarHBondContact CE2-OG 3.24Å; Y18-S33 PolarHBondContact OH-N 2.8Å; Y18-S33 PolarHBondContact OH-OG 2.96Å; R29-S33 WeakPolarHBondContact O-CB 3.46Å; R29-S33 PolarHBondContact O-N 3.29Å; R29-S33 PolarHBondContact O-OG 3Å; R29-S33 VanDerWaalsContact O-OG 3.09Å; Q30-S33 PolarHBondContact O-N 3.07Å; S33-I36 PolarHBondContact O-N 3.43Å; S33-V37 WeakPolarHBondContact O-CB 3.28Å; S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.44Å; S33-V37 PolarHBondContact O-N 3.03Å
34L98Very high97.3Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-62.3-43.5176.5-75171.1000111.2M1 L5 Q30 I32 I36 V37 T38 V92 F95 L96 L99M1-L34 HydrophobicContact CB-CD2 4.15Å; M1-L34 HydrophobicContact CE-CD2 4.07Å; L5-L34 HydrophobicContact CD2-CD2 4.12Å; L5-L34 HydrophobicContact CD2-CG 4.15Å; Q30-L34 WeakPolarHBondContact O-CB 3.47Å; Q30-L34 WeakPolarHBondContact O-CG 3.27Å; Q30-L34 PolarHBondContact O-N 3.4Å; I32-L34 PolarHBondContact O-N 3.24Å; L34-I36 VanDerWaalsContact C-N 3.3Å; L34-I36 PolarHBondContact O-N 3.09Å; L34-V37 PolarHBondContact O-N 3.42Å; L34-T38 WeakPolarHBondContact O-CB 3.18Å; L34-T38 PolarHBondContact O-N 3.24Å; L34-T38 PolarHBondContact O-OG1 3.45Å; L34-V92 HydrophobicContact CB-CG1 3.86Å; L34-V92 HydrophobicContact CB-CG2 4.17Å; L34-V92 HydrophobicContact CD1-CG1 4.41Å; L34-F95 HydrophobicContact CD1-CB 4.22Å; L34-F95 HydrophobicContact CD2-CB 4.32Å; L34-L96 HydrophobicContact CD1-CB 4.23Å; L34-L96 HydrophobicContact CD1-CD1 4.25Å; L34-L99 HydrophobicContact CD1-CD2 4.35Å
35L98.1Very high97.4Very high54 Ų5448.5 Ų48.528%0.28326%0.259SS..Hα-helixtrans-57.2-44.3174.2-79.9165.9000111.8T31 I32 N39 I89 V92T31-L35 HydrophobicContact CG2-CD1 4.39Å; T31-L35 WeakPolarHBondContact O-CG 3.3Å; T31-L35 PolarHBondContact O-N 3.24Å; I32-L35 WeakPolarHBondContact O-CB 3.48Å; I32-L35 PolarHBondContact O-N 3.01Å; L35-N39 WeakPolarHBondContact O-CB 3.4Å; L35-N39 PolarHBondContact O-N 3.48Å; L35-N39 PolarHBondContact O-ND2 3.01Å; L35-I89 HydrophobicContact CD2-CG1 4.24Å; L35-V92 HydrophobicContact CD2-CB 4.26Å; L35-V92 HydrophobicContact CD2-CG2 3.81Å; L35-V92 HydrophobicContact CG-CB 4.41Å; L35-V92 HydrophobicContact CG-CG1 4.28Å; L35-V92 HydrophobicContact CG-CG2 4.01Å
36I97.9Very high97.6Very high73 Ų7343.5 Ų43.537%0.37423%0.232SC..Hα-helixtrans-66-54.2179.1-65.4166.5000110.4F13 I32 S33 L34 T38 N39 V40F13-I36 HydrophobicContact CE1-CD1 4.2Å; F13-I36 HydrophobicContact CE1-CG2 4.12Å; F13-I36 HydrophobicContact CZ-CB 4.14Å; F13-I36 HydrophobicContact CZ-CG2 3.91Å; I32-I36 HydrophobicContact CG2-CD1 3.95Å; I32-I36 WeakPolarHBondContact O-CG1 3.16Å; I32-I36 PolarHBondContact O-N 3.18Å; S33-I36 PolarHBondContact O-N 3.43Å; L34-I36 VanDerWaalsContact C-N 3.3Å; L34-I36 PolarHBondContact O-N 3.09Å; I36-T38 PolarHBondContact O-N 3.22Å; I36-N39 PolarHBondContact O-N 3.46Å; I36-V40 HydrophobicContact CG2-CG2 4.29Å; I36-V40 WeakPolarHBondContact O-CB 3.37Å; I36-V40 VanDerWaalsContact O-CG2 3.31Å; I36-V40 WeakPolarHBondContact O-CG2 3.48Å; I36-V40 PolarHBondContact O-N 3.15Å
37V97.6Very high97.7Very high21 Ų2145 Ų4513%0.12724%0.236CC..Hα-helixtrans-61.8-44.6-176.5170.80000111.2M1 V4 A8 F13 S33 L34 G41M1-V37 HydrophobicContact CE-CG1 4.17Å; V4-V37 HydrophobicContact CG1-CG1 3.54Å; A8-V37 HydrophobicContact CB-CG2 3.94Å; F13-V37 HydrophobicContact CE2-CG2 3.51Å; F13-V37 HydrophobicContact CZ-CG2 3.76Å; S33-V37 WeakPolarHBondContact O-CB 3.28Å; S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.44Å; S33-V37 PolarHBondContact O-N 3.03Å; L34-V37 PolarHBondContact O-N 3.42Å; V37-G41 PolarHBondContact O-N 2.82Å
38T96.6Very high97.8Very high11 Ų1147.5 Ų47.57%0.06725%0.245CC..Hα-helixtrans-62.8-44.5179-62.70000111.2L34 I36 A42 F95L34-T38 WeakPolarHBondContact O-CB 3.18Å; L34-T38 PolarHBondContact O-N 3.24Å; L34-T38 PolarHBondContact O-OG1 3.45Å; I36-T38 PolarHBondContact O-N 3.22Å; T38-A42 WeakPolarHBondContact O-CB 3.2Å; T38-A42 PolarHBondContact O-N 2.76Å; T38-F95 HydrophobicContact CG2-CE2 3.86Å; T38-F95 WeakPolarHBondContact OG1-CD2 3.46Å; T38-F95 WeakPolarHBondContact OG1-CE2 3.45Å
39N97.9Very high97.8Very high23 Ų2341.5 Ų41.512%0.12322%0.22CC..Hα-helixtrans-67.1-47.2178.3-85-78.2000112.6L35 I36 A42 Y43 P85 S88L35-N39 WeakPolarHBondContact O-CB 3.4Å; L35-N39 PolarHBondContact O-N 3.48Å; L35-N39 PolarHBondContact O-ND2 3.01Å; I36-N39 PolarHBondContact O-N 3.46Å; N39-A42 PolarHBondContact O-N 3.47Å; N39-Y43 HydrophobicContact CB-CE2 4.41Å; N39-Y43 WeakPolarHBondContact O-CB 3.33Å; N39-Y43 WeakPolarHBondContact O-CD2 3.35Å; N39-Y43 PolarHBondContact O-N 3.17Å; N39-P85 WeakPolarHBondContact OD1-CA 3.45Å; N39-S88 WeakPolarHBondContact ND2-CB 3.22Å; N39-S88 PolarHBondContact ND2-OG 3.12Å
40V97.8Very high97.9Very high78 Ų7841.1 Ų41.147%0.47322%0.219SC..Hα-helixtrans-61.4-46.8178.5171.40000110.3I36 Y43 I44I36-V40 HydrophobicContact CG2-CG2 4.29Å; I36-V40 WeakPolarHBondContact O-CB 3.37Å; I36-V40 VanDerWaalsContact O-CG2 3.31Å; I36-V40 WeakPolarHBondContact O-CG2 3.48Å; I36-V40 PolarHBondContact O-N 3.15Å; V40-Y43 PolarHBondContact O-N 2.88Å; V40-I44 HydrophobicContact CG1-CD1 3.71Å; V40-I44 HydrophobicContact CG1-CG1 4.41Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.35Å; V40-I44 PolarHBondContact O-N 3.08Å
41G96.8Very high97.9Very high35 Ų3542.8 Ų42.836%0.36123%0.23SC..Hα-helixtrans-61.2-45176.800000112.6V37 Y43 I44 L45V37-G41 PolarHBondContact O-N 2.82Å; G41-Y43 PolarHBondContact O-N 3.3Å; G41-I44 PolarHBondContact O-N 3.42Å; G41-L45 WeakPolarHBondContact O-CB 3.37Å; G41-L45 PolarHBondContact O-N 3.15Å
42A97.2Very high97.9Very high11 Ų1144.2 Ų44.29%0.09124%0.236CC..Hα-helixtrans-61.1-44.4176.300000111.7T38 N39 Y46 L84T38-A42 WeakPolarHBondContact O-CB 3.2Å; T38-A42 PolarHBondContact O-N 2.76Å; N39-A42 PolarHBondContact O-N 3.47Å; A42-Y46 WeakPolarHBondContact O-CB 3.26Å; A42-Y46 PolarHBondContact O-N 3.27Å; A42-L84 HydrophobicContact CB-CD1 4.3Å; A42-L84 HydrophobicContact CB-CD2 4.42Å
43Y98.4Very high98Very high60 Ų6041.3 Ų41.324%0.23522%0.222CC..Hα-helixtrans-65.6-43.8176.7-71.5-43.5000112.7N39 V40 G41 F47 V81 L84 P85N39-Y43 HydrophobicContact CB-CE2 4.41Å; N39-Y43 WeakPolarHBondContact O-CB 3.33Å; N39-Y43 WeakPolarHBondContact O-CD2 3.35Å; N39-Y43 PolarHBondContact O-N 3.17Å; V40-Y43 PolarHBondContact O-N 2.88Å; G41-Y43 PolarHBondContact O-N 3.3Å; Y43-F47 HydrophobicContact CD1-CE2 4.18Å; Y43-F47 WeakPolarHBondContact O-CB 3.29Å; Y43-F47 VanDerWaalsContact O-CD2 3.25Å; Y43-F47 WeakPolarHBondContact O-CD2 3.15Å; Y43-F47 PolarHBondContact O-N 2.81Å; Y43-V81 HydrophobicContact CE1-CB 4.44Å; Y43-V81 HydrophobicContact CE1-CG1 4.42Å; Y43-V81 HydrophobicContact CE1-CG2 4.25Å; Y43-V81 PolarHBondContact OH-O 2.94Å; Y43-L84 HydrophobicContact CD1-CD1 3.6Å; Y43-L84 HydrophobicContact CE1-CB 3.99Å; Y43-L84 HydrophobicContact CE1-CD1 3.58Å; Y43-L84 HydrophobicContact CE1-CG 4.37Å; Y43-P85 WeakPolarHBondContact OH-CD 3.4Å; Y43-P85 WeakPolarHBondContact OH-CG 3.42Å
44I98.2Very high98Very high111 Ų11142.7 Ų42.757%0.56923%0.227SC*.Hα-helixtrans-59.3-51.7177-71.3168.5000109.6V40 G41 F48V40-I44 HydrophobicContact CG1-CD1 3.71Å; V40-I44 HydrophobicContact CG1-CG1 4.41Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.35Å; V40-I44 PolarHBondContact O-N 3.08Å; G41-I44 PolarHBondContact O-N 3.42Å; I44-F48 WeakPolarHBondContact O-CB 3.42Å; I44-F48 PolarHBondContact O-N 3.18Å
45L97.4Very high97.9Very high27 Ų2750.1 Ų50.114%0.14126%0.257CS..Hα-helixtrans-62.5-47.2-178-174.759.7000111.4G41 C49 I199 N202G41-L45 WeakPolarHBondContact O-CB 3.37Å; G41-L45 PolarHBondContact O-N 3.15Å; L45-C49 VanDerWaalsContact O-CB 3.24Å; L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.16Å; L45-C49 PolarHBondContact O-SG 3.11Å; L45-I199 HydrophobicContact CD1-CG2 4.11Å; L45-N202 HydrophobicContact CD2-CB 3.44Å; L45-N202 VanDerWaalsContact CD2-CB 3.44Å; L45-N202 HydrophobicContact CG-CB 4.08Å
46Y98.3Very high97.9Very high3 Ų355.6 Ų55.61%0.01228%0.278CS..Hα-helixtrans-60-56.5177.6170-107.2000111.8A42 F48 A50 T80 F163 H166A42-Y46 WeakPolarHBondContact O-CB 3.26Å; A42-Y46 PolarHBondContact O-N 3.27Å; Y46-F48 PolarHBondContact O-N 3.28Å; Y46-A50 HydrophobicContact CD2-CB 4.32Å; Y46-A50 HydrophobicContact CE2-CB 4.19Å; Y46-A50 WeakPolarHBondContact O-CA 3.36Å; Y46-A50 WeakPolarHBondContact O-CB 3.14Å; Y46-A50 PolarHBondContact O-N 3.2Å; Y46-T80 HydrophobicContact CD1-CG2 3.93Å; Y46-T80 HydrophobicContact CD2-CG2 4.02Å; Y46-T80 HydrophobicContact CE1-CG2 3.64Å; Y46-T80 HydrophobicContact CE2-CG2 3.74Å; Y46-T80 HydrophobicContact CG-CG2 4.1Å; Y46-T80 PolarHBondContact OH-OG1 3.43Å; Y46-F163 HydrophobicContact CE1-CD1 4.35Å; Y46-F163 HydrophobicContact CE2-CD1 4.46Å; Y46-F163 AromaticContact CZ-CD1 3.87Å; Y46-F163 WeakPolarHBondContact OH-CA 3.33Å; Y46-F163 WeakPolarHBondContact OH-CB 3.25Å; Y46-F163 WeakPolarHBondContact OH-CD1 3.4Å; Y46-F163 PolarHBondContact OH-O 3.36Å; Y46-H166 HydrophobicContact CD2-CB 4.2Å; Y46-H166 AromaticContact CD2-ND1 3.79Å; Y46-H166 HydrophobicContact CE2-CB 4.22Å
47F98.6Very high97.9Very high77 Ų7754.8 Ų54.834%0.33828%0.277SS..Hα-helixtrans-66.3-39.9-176.7-79.4-64.5000111.7Y43 T51 I77 V81Y43-F47 HydrophobicContact CD1-CE2 4.18Å; Y43-F47 WeakPolarHBondContact O-CB 3.29Å; Y43-F47 VanDerWaalsContact O-CD2 3.25Å; Y43-F47 WeakPolarHBondContact O-CD2 3.15Å; Y43-F47 PolarHBondContact O-N 2.81Å; F47-T51 WeakPolarHBondContact O-CB 3.4Å; F47-T51 PolarHBondContact O-N 3.06Å; F47-T51 VanDerWaalsContact O-N 3.07Å; F47-T51 PolarHBondContact O-OG1 3.49Å; F47-I77 HydrophobicContact CE1-CG2 3.82Å; F47-I77 HydrophobicContact CZ-CG2 4.04Å; F47-V81 HydrophobicContact CE2-CG2 4.2Å; F47-V81 HydrophobicContact CZ-CG2 3.75Å
48F98.4Very high97.8Very high131 Ų13154.1 Ų54.158%0.57527%0.272SS*.Hα-helixtrans-64.1-57178.3-177.7-105.8000111.2I44 Y46 T51 L52I44-F48 WeakPolarHBondContact O-CB 3.42Å; I44-F48 PolarHBondContact O-N 3.18Å; Y46-F48 PolarHBondContact O-N 3.28Å; F48-T51 PolarHBondContact O-N 3.31Å; F48-L52 HydrophobicContact CD1-CD1 4.11Å; F48-L52 HydrophobicContact CD2-CD1 4.48Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE2-CD1 4.02Å; F48-L52 HydrophobicContact CZ-CD1 3.56Å; F48-L52 WeakPolarHBondContact O-CG 3.39Å; F48-L52 PolarHBondContact O-N 3.06Å
49C98.4Very high97.6Very high18 Ų1856.6 Ų56.612%0.12229%0.285CS..Hα-helixtrans-69.8-42.3-175.3-67.30000112.7L45 T51 L52 S53 I206L45-C49 VanDerWaalsContact O-CB 3.24Å; L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.16Å; L45-C49 PolarHBondContact O-SG 3.11Å; C49-T51 VanDerWaalsContact C-N 3.35Å; C49-T51 PolarHBondContact O-N 3.06Å; C49-L52 PolarHBondContact O-N 3.09Å; C49-S53 WeakPolarHBondContact O-CB 3.41Å; C49-S53 PolarHBondContact O-N 3.23Å; C49-I206 HydrophobicContact CB-CD1 3.45Å; C49-I206 VanDerWaalsContact CB-CD1 3.45Å
50A98.4Very high97.5Very high0 Ų059.2 Ų59.20%030%0.296CS..Hα-helixtrans-67.7-35.8178.800000111.7Y46 Y54 P162 F163 I206Y46-A50 HydrophobicContact CD2-CB 4.32Å; Y46-A50 HydrophobicContact CE2-CB 4.19Å; Y46-A50 WeakPolarHBondContact O-CA 3.36Å; Y46-A50 WeakPolarHBondContact O-CB 3.14Å; Y46-A50 PolarHBondContact O-N 3.2Å; A50-Y54 WeakPolarHBondContact O-CB 3.43Å; A50-Y54 PolarHBondContact O-N 3.34Å; A50-P162 HydrophobicContact CB-CB 4.28Å; A50-F163 HydrophobicContact CB-CD1 3.62Å; A50-F163 HydrophobicContact CB-CE1 3.69Å; A50-F163 HydrophobicContact CB-CG 4.35Å; A50-F163 HydrophobicContact CB-CZ 4.47Å; A50-I206 HydrophobicContact CB-CD1 4.45Å; A50-I206 HydrophobicContact CB-CG2 4.26Å
51T98.5Very high97.3Very high51 Ų5157 Ų5731%0.31329%0.286SS..Hα-helixtrans-67.1-45.6175.1-60.70000111.4F47 F48 C49 Y54 Y55F47-T51 WeakPolarHBondContact O-CB 3.4Å; F47-T51 PolarHBondContact O-N 3.06Å; F47-T51 VanDerWaalsContact O-N 3.07Å; F47-T51 PolarHBondContact O-OG1 3.49Å; F48-T51 PolarHBondContact O-N 3.31Å; C49-T51 VanDerWaalsContact C-N 3.35Å; C49-T51 PolarHBondContact O-N 3.06Å; T51-Y54 PolarHBondContact O-N 3.31Å; T51-Y55 HydrophobicContact CG2-CD2 3.61Å; T51-Y55 HydrophobicContact CG2-CE2 3.67Å; T51-Y55 VanDerWaalsContact O-CD2 3.29Å; T51-Y55 WeakPolarHBondContact O-CD2 3.41Å; T51-Y55 PolarHBondContact O-N 3.49Å
52L98.3Very high97.3Very high71 Ų7155.4 Ų55.437%0.37227%0.269SS..Hα-helixtrans-60.2-48.1175.9-71.8-179.4000111.4F48 C49 Y54 Y55 F56F48-L52 HydrophobicContact CD1-CD1 4.11Å; F48-L52 HydrophobicContact CD2-CD1 4.48Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE2-CD1 4.02Å; F48-L52 HydrophobicContact CZ-CD1 3.56Å; F48-L52 WeakPolarHBondContact O-CG 3.39Å; F48-L52 PolarHBondContact O-N 3.06Å; C49-L52 PolarHBondContact O-N 3.09Å; L52-Y54 VanDerWaalsContact C-N 3.33Å; L52-Y54 PolarHBondContact O-N 3.28Å; L52-Y55 PolarHBondContact O-N 3.42Å; L52-F56 HydrophobicContact CB-CD2 4.41Å; L52-F56 HydrophobicContact CD2-CD2 3.91Å; L52-F56 HydrophobicContact CD2-CE2 3.64Å; L52-F56 WeakPolarHBondContact O-CB 3.48Å; L52-F56 VanDerWaalsContact O-CD2 3.28Å; L52-F56 WeakPolarHBondContact O-CD2 3.25Å; L52-F56 PolarHBondContact O-N 3.29Å
53S98.3Very high97.2Very high13 Ų1358.2 Ų58.29%0.09128%0.282CS..Hα-helixtrans-59.7-44.7176.3176.20000111.2C49 Y55 V57 F58 P162 D210C49-S53 WeakPolarHBondContact O-CB 3.41Å; C49-S53 PolarHBondContact O-N 3.23Å; S53-Y55 PolarHBondContact O-N 3.42Å; S53-V57 CarbonylContact O-C 3.59Å; S53-V57 WeakPolarHBondContact O-CA 3.39Å; S53-V57 WeakPolarHBondContact O-CB 3.26Å; S53-V57 PolarHBondContact O-N 3.22Å; S53-F58 PolarHBondContact O-N 2.99Å; S53-P162 WeakPolarHBondContact OG-CG 3.19Å; S53-D210 VanDerWaalsContact OG-CB 3.27Å; S53-D210 WeakPolarHBondContact OG-CB 3.45Å
54Y98.2Very high97.1Very high28 Ų2862.1 Ų62.111%0.1130%0.3CS..Hα-helixtrans-60.3-44179.5-176.2-100.8000112.8A50 T51 L52 F58 H60 V73 F163A50-Y54 WeakPolarHBondContact O-CB 3.43Å; A50-Y54 PolarHBondContact O-N 3.34Å; T51-Y54 PolarHBondContact O-N 3.31Å; L52-Y54 VanDerWaalsContact C-N 3.33Å; L52-Y54 PolarHBondContact O-N 3.28Å; Y54-F58 HydrophobicContact CD2-CB 4.48Å; Y54-F58 AromaticContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CE1 4.42Å; Y54-F58 HydrophobicContact CD2-CG 4.25Å; Y54-F58 AromaticContact CE2-CD1 3.81Å; Y54-F58 HydrophobicContact CE2-CD1 3.81Å; Y54-F58 AromaticContact CE2-CE1 3.97Å; Y54-F58 HydrophobicContact CE2-CE1 3.97Å; Y54-F58 WeakPolarHBondContact O-CB 3.21Å; Y54-H60 AromaticContact CE1-NE2 3.61Å; Y54-H60 AromaticContact CZ-NE2 3.65Å; Y54-H60 PolarHBondContact O-CE1 2.78Å; Y54-V73 HydrophobicContact CE2-CG2 3.95Å; Y54-F163 HydrophobicContact CD1-CE2 4.07Å; Y54-F163 HydrophobicContact CD2-CD2 4.05Å; Y54-F163 AromaticContact CD2-CE2 3.84Å; Y54-F163 HydrophobicContact CD2-CE2 3.84Å; Y54-F163 HydrophobicContact CG-CD2 4.24Å; Y54-F163 AromaticContact CG-CE2 3.57Å; Y54-F163 HydrophobicContact CG-CE2 3.57Å; Y54-F163 HydrophobicContact CG-CZ 4.48Å
55Y97.6Very high97Very high156 Ų15657.5 Ų57.561%0.61228%0.276SS*.Hα-helixtrans-83.5-31.4-177-76.6-69.6000114.3T51 L52 S53T51-Y55 HydrophobicContact CG2-CD2 3.61Å; T51-Y55 HydrophobicContact CG2-CE2 3.67Å; T51-Y55 VanDerWaalsContact O-CD2 3.29Å; T51-Y55 WeakPolarHBondContact O-CD2 3.41Å; T51-Y55 PolarHBondContact O-N 3.49Å; L52-Y55 PolarHBondContact O-N 3.42Å; S53-Y55 PolarHBondContact O-N 3.42Å
56F97.3Very high96.9Very high169 Ų16960.1 Ų60.174%0.74130%0.295SS*.Hα-helixtrans-108.7-20.6-170.9-62.5-68.7000114.8L52L52-F56 HydrophobicContact CB-CD2 4.41Å; L52-F56 HydrophobicContact CD2-CD2 3.91Å; L52-F56 HydrophobicContact CD2-CE2 3.64Å; L52-F56 WeakPolarHBondContact O-CB 3.48Å; L52-F56 VanDerWaalsContact O-CD2 3.28Å; L52-F56 WeakPolarHBondContact O-CD2 3.25Å; L52-F56 PolarHBondContact O-N 3.29Å
57V96.8Very high96.8Very high56 Ų5663.2 Ų63.234%0.33931%0.309SS..THydrogen-bonded Turntrans-119.8-41.2-173.8-176.10000111.7S53 D59 D210 D212S53-V57 CarbonylContact O-C 3.59Å; S53-V57 WeakPolarHBondContact O-CA 3.39Å; S53-V57 WeakPolarHBondContact O-CB 3.26Å; S53-V57 PolarHBondContact O-N 3.22Å; V57-D59 PolarHBondContact O-N 3.42Å; V57-D210 HydrophobicContact CG1-CB 4.24Å; V57-D210 WeakPolarHBondContact CG1-OD2 3.2Å; V57-D212 HydrophobicContact CG1-CB 3.7Å
58F97.1Very high96.8Very high8 Ų861 Ų614%0.03530%0.3CS..  trans-64.8126.6-173.2177-101.5000113.1S53 Y54 H60 L62 M63 T161 P162 D210S53-F58 PolarHBondContact O-N 2.99Å; Y54-F58 HydrophobicContact CD2-CB 4.48Å; Y54-F58 AromaticContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CE1 4.42Å; Y54-F58 HydrophobicContact CD2-CG 4.25Å; Y54-F58 AromaticContact CE2-CD1 3.81Å; Y54-F58 HydrophobicContact CE2-CD1 3.81Å; Y54-F58 AromaticContact CE2-CE1 3.97Å; Y54-F58 HydrophobicContact CE2-CE1 3.97Å; Y54-F58 WeakPolarHBondContact O-CB 3.21Å; F58-H60 AromaticContact CD1-ND1 3.93Å; F58-H60 PolarHBondContact O-N 2.71Å; F58-H60 VanDerWaalsContact O-N 3.11Å; F58-H60 PolarHBondContact O-ND1 3.37Å; F58-L62 HydrophobicContact CE2-CD1 4.12Å; F58-L62 HydrophobicContact CZ-CB 4.2Å; F58-M63 HydrophobicContact CE1-CG 3.84Å; F58-M63 HydrophobicContact CE1-SD 4.1Å; F58-M63 HydrophobicContact CZ-CG 4.16Å; F58-T161 HydrophobicContact CE1-CG2 4.34Å; F58-T161 HydrophobicContact CE2-CG2 4.03Å; F58-T161 HydrophobicContact CZ-CG2 3.74Å; F58-P162 HydrophobicContact CB-CG 4.07Å; F58-P162 VanDerWaalsContact CD2-CD 3.5Å; F58-P162 HydrophobicContact CD2-CG 4.3Å; F58-P162 HydrophobicContact CG-CG 4.44Å; F58-D210 VanDerWaalsContact CA-O 3.25Å; F58-D210 WeakPolarHBondContact CA-O 3.48Å; F58-D210 WeakPolarHBondContact CD2-O 3.38Å
59D92.8Very high96.8Very high63 Ų6357.4 Ų57.434%0.33729%0.286SS..  trans-77.399.9175.4-167.8-23.8000110.6V57 A61 L62 L266V57-D59 PolarHBondContact O-N 3.42Å; D59-A61 PolarHBondContact O-N 2.83Å; D59-A61 VanDerWaalsContact O-N 3.08Å; D59-A61 WeakPolarHBondContact OD1-CB 3.27Å; D59-A61 PolarHBondContact OD1-N 2.98Å; D59-L62 HydrophobicContact CB-CD1 4.45Å; D59-L62 VanDerWaalsContact O-CB 3.27Å; D59-L62 WeakPolarHBondContact O-CB 3.4Å; D59-L62 WeakPolarHBondContact O-CG 2.85Å; D59-L62 PolarHBondContact O-N 2.87Å; D59-L266 HydrophobicContact CB-CD1 4.37Å; D59-L266 HydrophobicContact CB-CD2 4.12Å; D59-L266 WeakPolarHBondContact OD2-CD1 3.35Å; D59-L266 WeakPolarHBondContact OD2-CD2 3.49Å
60H94.9Very high96.7Very high77 Ų7764.9 Ų64.936%0.35632%0.316SS..G310 helixtrans-64-13.4-179.3-68.773000113.8Y54 F58 L62 M63Y54-H60 AromaticContact CE1-NE2 3.61Å; Y54-H60 AromaticContact CZ-NE2 3.65Å; Y54-H60 PolarHBondContact O-CE1 2.78Å; F58-H60 AromaticContact CD1-ND1 3.93Å; F58-H60 PolarHBondContact O-N 2.71Å; F58-H60 VanDerWaalsContact O-N 3.11Å; F58-H60 PolarHBondContact O-ND1 3.37Å; H60-L62 PolarHBondContact O-N 2.99Å; H60-M63 HydrophobicContact CB-SD 4.45Å; H60-M63 WeakPolarHBondContact O-CB 3.45Å; H60-M63 PolarHBondContact O-N 3.1Å
61A93.6Very high96.6Very high32 Ų3269.8 Ų69.826%0.26434%0.343SS..G310 helixtrans-61-30.9171.200000111.5D59 M63 K64 L266 V269D59-A61 PolarHBondContact O-N 2.83Å; D59-A61 VanDerWaalsContact O-N 3.08Å; D59-A61 WeakPolarHBondContact OD1-CB 3.27Å; D59-A61 PolarHBondContact OD1-N 2.98Å; A61-M63 PolarHBondContact O-N 3.24Å; A61-M63 VanDerWaalsContact O-N 3.12Å; A61-K64 WeakPolarHBondContact O-CB 3.44Å; A61-K64 PolarHBondContact O-N 2.84Å; A61-L266 HydrophobicContact CB-CD2 4.09Å; A61-V269 HydrophobicContact CB-CG1 4.42Å
62L95.8Very high96.6Very high1 Ų167.4 Ų67.41%0.00533%0.328CS..G310 helixtrans-56.7-28.1175.9-72.1172.4000113.1F58 D59 H60 K64 H65 I159 F213 P265 L266F58-L62 HydrophobicContact CE2-CD1 4.12Å; F58-L62 HydrophobicContact CZ-CB 4.2Å; D59-L62 HydrophobicContact CB-CD1 4.45Å; D59-L62 VanDerWaalsContact O-CB 3.27Å; D59-L62 WeakPolarHBondContact O-CB 3.4Å; D59-L62 WeakPolarHBondContact O-CG 2.85Å; D59-L62 PolarHBondContact O-N 2.87Å; H60-L62 PolarHBondContact O-N 2.99Å; L62-K64 PolarHBondContact O-N 2.78Å; L62-K64 VanDerWaalsContact O-N 3.12Å; L62-H65 WeakPolarHBondContact O-CB 3.48Å; L62-H65 PolarHBondContact O-N 2.8Å; L62-I159 HydrophobicContact CB-CG2 3.84Å; L62-I159 HydrophobicContact CD2-CG2 4.19Å; L62-I159 HydrophobicContact CG-CG2 4.43Å; L62-F213 HydrophobicContact CD1-CZ 4.41Å; L62-F213 HydrophobicContact CD2-CZ 4.45Å; L62-P265 HydrophobicContact CD2-CB 3.73Å; L62-L266 HydrophobicContact CD2-CD2 3.67Å; L62-L266 HydrophobicContact CD2-CG 3.71Å; L62-L266 HydrophobicContact CG-CD2 3.65Å; L62-L266 HydrophobicContact CG-CG 4.08Å
63M96.5Very high96.6Very high70 Ų7065.4 Ų65.435%0.34532%0.318SS..G310 helixtrans-66.1-14.4178.1-59179.362.100113.3F58 H60 A61 F68F58-M63 HydrophobicContact CE1-CG 3.84Å; F58-M63 HydrophobicContact CE1-SD 4.1Å; F58-M63 HydrophobicContact CZ-CG 4.16Å; H60-M63 HydrophobicContact CB-SD 4.45Å; H60-M63 WeakPolarHBondContact O-CB 3.45Å; H60-M63 PolarHBondContact O-N 3.1Å; A61-M63 PolarHBondContact O-N 3.24Å; A61-M63 VanDerWaalsContact O-N 3.12Å; M63-F68 HydrophobicContact CB-CD1 4.12Å; M63-F68 HydrophobicContact CB-CE1 4.01Å; M63-F68 HydrophobicContact CB-CE2 4.48Å; M63-F68 HydrophobicContact CB-CG 4.41Å; M63-F68 HydrophobicContact CB-CZ 4.2Å; M63-F68 HydrophobicContact CE-CE1 3.93Å; M63-F68 HydrophobicContact CE-CZ 4.07Å; M63-F68 HydrophobicContact CG-CD2 4.5Å; M63-F68 HydrophobicContact CG-CE1 3.99Å; M63-F68 HydrophobicContact CG-CE2 3.98Å; M63-F68 HydrophobicContact CG-CZ 3.69Å
64K96.1Very high96.6Very high143 Ų14374.1 Ų74.162%0.62235%0.349SS*.G310 helixtrans-86.8-7.7174.6-59.5175.7-177.9173.20112.8A61 L62 V269A61-K64 WeakPolarHBondContact O-CB 3.44Å; A61-K64 PolarHBondContact O-N 2.84Å; L62-K64 PolarHBondContact O-N 2.78Å; L62-K64 VanDerWaalsContact O-N 3.12Å; K64-V269 HydrophobicContact CB-CG1 3.96Å; K64-V269 HydrophobicContact CD-CG1 4.37Å
65H96.6Very high96.6Very high13 Ų1377.8 Ų77.86%0.0636%0.363CS..SBendtrans-64.5138.5177.7-168.9-89.4000110L62 Q67 F68 I159 Y268 V269L62-H65 WeakPolarHBondContact O-CB 3.48Å; L62-H65 PolarHBondContact O-N 2.8Å; H65-Q67 WeakPolarHBondContact ND1-CB 3.16Å; H65-Q67 PolarHBondContact ND1-N 3.44Å; H65-Q67 PolarHBondContact O-N 3.46Å; H65-Q67 VanDerWaalsContact O-N 3.11Å; H65-F68 WeakPolarHBondContact O-CB 3.33Å; H65-F68 PolarHBondContact O-N 2.93Å; H65-I159 HydrophobicContact CB-CG1 4.09Å; H65-I159 WeakPolarHBondContact ND1-CG1 3.34Å; H65-Y268 AromaticContact CD2-CD1 3.53Å; H65-Y268 AromaticContact NE2-CD1 3.61Å; H65-V269 HydrophobicContact CB-CG2 3.83Å
66P95.4Very high96.7Very high83 Ų8370.4 Ų70.454%0.53933%0.334SS..THydrogen-bonded Turntrans-66.3-19.1-173.526-35.7000113.3Y268P66-Y268 VanDerWaalsContact CD-CE1 3.46Å; P66-Y268 HydrophobicContact CG-CE1 3.63Å
67Q96.3Very high96.7Very high68 Ų6864.4 Ų64.432%0.31831%0.309SS..THydrogen-bonded Turntrans-89.7-2.5174.4-58.9-177-2200113.4H65 L69 K158 I159 M234H65-Q67 WeakPolarHBondContact ND1-CB 3.16Å; H65-Q67 PolarHBondContact ND1-N 3.44Å; H65-Q67 PolarHBondContact O-N 3.46Å; H65-Q67 VanDerWaalsContact O-N 3.11Å; Q67-L69 PolarHBondContact O-N 3.37Å; Q67-K158 HydrophobicContact CB-CB 4.3Å; Q67-K158 HydrophobicContact CB-CD 4.29Å; Q67-K158 HydrophobicContact CG-CD 4.41Å; Q67-I159 HydrophobicContact CB-CG1 4.37Å; Q67-M234 PolarHBondContact OE1-SD 3.39Å
68F97.4Very high96.8Very high31 Ų3168 Ų6814%0.13632%0.32CS..SBendtrans-73.1123.6169.7-165.5-93.6000109.5M63 H65 Q72 V73 I159 T161M63-F68 HydrophobicContact CB-CD1 4.12Å; M63-F68 HydrophobicContact CB-CE1 4.01Å; M63-F68 HydrophobicContact CB-CE2 4.48Å; M63-F68 HydrophobicContact CB-CG 4.41Å; M63-F68 HydrophobicContact CB-CZ 4.2Å; M63-F68 HydrophobicContact CE-CE1 3.93Å; M63-F68 HydrophobicContact CE-CZ 4.07Å; M63-F68 HydrophobicContact CG-CD2 4.5Å; M63-F68 HydrophobicContact CG-CE1 3.99Å; M63-F68 HydrophobicContact CG-CE2 3.98Å; M63-F68 HydrophobicContact CG-CZ 3.69Å; H65-F68 WeakPolarHBondContact O-CB 3.33Å; H65-F68 PolarHBondContact O-N 2.93Å; F68-Q72 HydrophobicContact CD1-CB 4.45Å; F68-Q72 HydrophobicContact CE1-CB 3.91Å; F68-Q72 HydrophobicContact CE2-CB 4.42Å; F68-Q72 HydrophobicContact CE2-CG 4.38Å; F68-Q72 HydrophobicContact CZ-CB 3.89Å; F68-Q72 HydrophobicContact CZ-CG 4.26Å; F68-V73 HydrophobicContact CZ-CG2 4.39Å; F68-I159 HydrophobicContact CD2-CB 4.23Å; F68-I159 HydrophobicContact CD2-CG2 4.13Å; F68-T161 HydrophobicContact CE2-CG2 3.62Å; F68-T161 HydrophobicContact CZ-CG2 3.9Å
69L97.6Very high96.9Very high54 Ų5470.4 Ų70.428%0.28333%0.331SS..PPolyproline II helixtrans-82.7152-170-57.3-179.4000112.1Q67 N71 Q72 T156 W157Q67-L69 PolarHBondContact O-N 3.37Å; L69-N71 PolarHBondContact O-N 3.43Å; L69-Q72 HydrophobicContact CB-CB 4.11Å; L69-Q72 WeakPolarHBondContact O-CB 3.13Å; L69-Q72 PolarHBondContact O-N 3.1Å; L69-T156 HydrophobicContact CD1-CG2 3.85Å; L69-T156 WeakPolarHBondContact CD1-O 3.41Å; L69-W157 HydrophobicContact CD1-CE3 3.92Å; L69-W157 HydrophobicContact CD1-CZ3 3.83Å
70K96.7Very high97.1Very high175 Ų17567.4 Ų67.476%0.76132%0.315SS*.THydrogen-bonded Turntrans-60.4132.3172.6-171.8176.8-178.7177.30110.6Q72K70-Q72 PolarHBondContact O-N 3.09Å
71N97.4Very high97.3Very high104 Ų10466.3 Ų66.356%0.55631%0.314SS*.THydrogen-bonded Turntrans55.128.2-178-57.3-38.7000113.6L69 V73 R74 R75L69-N71 PolarHBondContact O-N 3.43Å; N71-V73 PolarHBondContact O-N 3Å; N71-R74 PolarHBondContact O-N 3.38Å; N71-R75 WeakPolarHBondContact O-CG 3.06Å; N71-R75 PolarHBondContact O-N 3.22Å; N71-R75 VanDerWaalsContact O-N 3.1Å
72Q98.2Very high97.5Very high1 Ų170.2 Ų70.21%0.00533%0.326CS..Hα-helixtrans-54.6-52.4-172.8177.7166-40.200112.8F68 L69 K70 R74 R75 E76 W157 I159F68-Q72 HydrophobicContact CD1-CB 4.45Å; F68-Q72 HydrophobicContact CE1-CB 3.91Å; F68-Q72 HydrophobicContact CE2-CB 4.42Å; F68-Q72 HydrophobicContact CE2-CG 4.38Å; F68-Q72 HydrophobicContact CZ-CB 3.89Å; F68-Q72 HydrophobicContact CZ-CG 4.26Å; L69-Q72 HydrophobicContact CB-CB 4.11Å; L69-Q72 WeakPolarHBondContact O-CB 3.13Å; L69-Q72 PolarHBondContact O-N 3.1Å; K70-Q72 PolarHBondContact O-N 3.09Å; Q72-R74 VanDerWaalsContact C-N 3.3Å; Q72-R74 PolarHBondContact O-N 3.1Å; Q72-R75 CarbonylContact O-C 3.54Å; Q72-R75 WeakPolarHBondContact O-CA 3.44Å; Q72-R75 WeakPolarHBondContact O-CB 3.28Å; Q72-R75 PolarHBondContact O-N 3.25Å; Q72-E76 HydrophobicContact CG-CG 4.03Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.48Å; Q72-E76 PolarHBondContact NE2-OE1 2.97Å; Q72-E76 WeakPolarHBondContact O-CG 3.2Å; Q72-E76 PolarHBondContact O-N 3.38Å; Q72-W157 HydrophobicContact CG-CD2 4.46Å; Q72-W157 HydrophobicContact CG-CE3 3.64Å; Q72-W157 HydrophobicContact CG-CZ3 4Å; Q72-I159 PolarHBondContact NE2-O 3.35Å
73V98.4Very high97.6Very high28 Ų2870.3 Ų70.317%0.1733%0.327CS..Hα-helixtrans-52.3-46.6179.2175.60000112.3Y54 F68 N71 R75 E76 I77 T161 F163Y54-V73 HydrophobicContact CE2-CG2 3.95Å; F68-V73 HydrophobicContact CZ-CG2 4.39Å; N71-V73 PolarHBondContact O-N 3Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 2.81Å; V73-E76 PolarHBondContact O-N 2.88Å; V73-I77 HydrophobicContact CG1-CD1 3.87Å; V73-I77 VanDerWaalsContact O-CG1 3.3Å; V73-I77 WeakPolarHBondContact O-CG1 3.13Å; V73-I77 PolarHBondContact O-N 2.93Å; V73-T161 HydrophobicContact CG2-CG2 3.93Å; V73-F163 HydrophobicContact CG1-CD2 3.63Å; V73-F163 HydrophobicContact CG1-CE2 3.99Å; V73-F163 HydrophobicContact CG1-CG 4.37Å
74R98.4Very high97.6Very high197 Ų19767.5 Ų67.574%0.74331%0.314SS*.Hα-helixtrans-63.1-37.7177.3-178.1-179.8176.2-172.60.7112N71 Q72 K78N71-R74 PolarHBondContact O-N 3.38Å; Q72-R74 VanDerWaalsContact C-N 3.3Å; Q72-R74 PolarHBondContact O-N 3.1Å; R74-K78 WeakPolarHBondContact O-CB 3.25Å; R74-K78 PolarHBondContact O-N 2.74Å
75R98.4Very high97.7Very high105 Ų10562.9 Ų62.940%0.39630%0.298SS..Hα-helixtrans-72-41.3179.5-66.2169.760.6-155.3-7.3111.5N71 Q72 V73 K78 F79 W157N71-R75 WeakPolarHBondContact O-CG 3.06Å; N71-R75 PolarHBondContact O-N 3.22Å; N71-R75 VanDerWaalsContact O-N 3.1Å; Q72-R75 CarbonylContact O-C 3.54Å; Q72-R75 WeakPolarHBondContact O-CA 3.44Å; Q72-R75 WeakPolarHBondContact O-CB 3.28Å; Q72-R75 PolarHBondContact O-N 3.25Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 2.81Å; R75-K78 PolarHBondContact O-N 3.47Å; R75-F79 WeakPolarHBondContact O-CB 3.46Å; R75-F79 PolarHBondContact O-N 3.12Å; R75-W157 HydrophobicContact CB-CH2 3.51Å; R75-W157 HydrophobicContact CB-CZ2 4.3Å; R75-W157 HydrophobicContact CB-CZ3 4.11Å
76E98.5Very high97.8Very high0 Ų065 Ų650%031%0.312CS..Hα-helixtrans-57.3-53.9173-71168.5169.300110.1Q72 V73 K78 F79 T80 W157 T161 F163 A164 A167Q72-E76 HydrophobicContact CG-CG 4.03Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.48Å; Q72-E76 PolarHBondContact NE2-OE1 2.97Å; Q72-E76 WeakPolarHBondContact O-CG 3.2Å; Q72-E76 PolarHBondContact O-N 3.38Å; V73-E76 PolarHBondContact O-N 2.88Å; E76-K78 PolarHBondContact O-N 2.73Å; E76-F79 PolarHBondContact O-N 3.18Å; E76-F79 VanDerWaalsContact O-N 3.1Å; E76-T80 PolarHBondContact O-N 2.88Å; E76-T80 PolarHBondContact O-OG1 3.42Å; E76-W157 HydrophobicContact CG-CD2 3.77Å; E76-W157 HydrophobicContact CG-CE3 4.18Å; E76-W157 HydrophobicContact CG-CG 4.07Å; E76-W157 HydrophobicContact CG-CZ2 4.27Å; E76-T161 PolarHBondContact OE1-N 3.05Å; E76-T161 PolarHBondContact OE2-OG1 3.49Å; E76-F163 HydrophobicContact CB-CB 4.08Å; E76-A164 HydrophobicContact CG-CB 4.03Å; E76-A167 HydrophobicContact CB-CB 4.49Å
77I98.8Very high97.9Very high44 Ų4462 Ų6223%0.22629%0.291CS..Hα-helixtrans-56-48.3176.5-67.5167.5000111.5F47 V73 F79 T80 V81 F163F47-I77 HydrophobicContact CE1-CG2 3.82Å; F47-I77 HydrophobicContact CZ-CG2 4.04Å; V73-I77 HydrophobicContact CG1-CD1 3.87Å; V73-I77 VanDerWaalsContact O-CG1 3.3Å; V73-I77 WeakPolarHBondContact O-CG1 3.13Å; V73-I77 PolarHBondContact O-N 2.93Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 PolarHBondContact O-N 2.74Å; I77-T80 PolarHBondContact O-N 3.2Å; I77-V81 HydrophobicContact CG2-CG2 4.23Å; I77-V81 WeakPolarHBondContact O-CB 3.45Å; I77-V81 VanDerWaalsContact O-CG2 3.28Å; I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 2.59Å; I77-F163 HydrophobicContact CD1-CD1 3.95Å; I77-F163 HydrophobicContact CD1-CD2 4.34Å; I77-F163 HydrophobicContact CD1-CE1 4.09Å; I77-F163 HydrophobicContact CD1-CE2 4.45Å; I77-F163 HydrophobicContact CD1-CG 4.07Å; I77-F163 HydrophobicContact CD1-CZ 4.33Å; I77-F163 HydrophobicContact CG1-CB 3.91Å; I77-F163 HydrophobicContact CG1-CD1 3.61Å; I77-F163 HydrophobicContact CG1-CD2 4.46Å; I77-F163 HydrophobicContact CG1-CE1 4.21Å; I77-F163 HydrophobicContact CG1-CG 3.75Å
78K98.5Very high98Very high130 Ų13059 Ų5957%0.56528%0.277SS*.Hα-helixtrans-58.8-43.2179.1-179.8179.6176.2-177.70111.2R74 R75 E76 V81 Q82R74-K78 WeakPolarHBondContact O-CB 3.25Å; R74-K78 PolarHBondContact O-N 2.74Å; R75-K78 PolarHBondContact O-N 3.47Å; E76-K78 PolarHBondContact O-N 2.73Å; K78-V81 PolarHBondContact O-N 3.12Å; K78-Q82 VanDerWaalsContact O-CG 3.26Å; K78-Q82 WeakPolarHBondContact O-CG 3.22Å; K78-Q82 PolarHBondContact O-N 2.99Å; K78-Q82 VanDerWaalsContact O-N 3.09Å
79F98Very high98Very high60 Ų6062.3 Ų62.326%0.26330%0.296SS..Hα-helixtrans-68.7-43.2-177-157.7-131.4000111.2R75 E76 I77 V81 Q82 A83 P153 A167R75-F79 WeakPolarHBondContact O-CB 3.46Å; R75-F79 PolarHBondContact O-N 3.12Å; E76-F79 PolarHBondContact O-N 3.18Å; E76-F79 VanDerWaalsContact O-N 3.1Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 PolarHBondContact O-N 2.74Å; F79-V81 PolarHBondContact O-N 3.22Å; F79-Q82 PolarHBondContact O-N 3.37Å; F79-A83 WeakPolarHBondContact O-CB 3.4Å; F79-A83 PolarHBondContact O-N 3.05Å; F79-P153 HydrophobicContact CE1-CB 3.68Å; F79-P153 HydrophobicContact CZ-CB 3.69Å; F79-A167 HydrophobicContact CB-CB 4.22Å; F79-A167 VanDerWaalsContact CD1-C 3.43Å; F79-A167 HydrophobicContact CD1-CB 3.99Å; F79-A167 VanDerWaalsContact CD1-O 3.29Å; F79-A167 WeakPolarHBondContact CD1-O 3.38Å; F79-A167 WeakPolarHBondContact CE1-O 3.48Å
80T98.2Very high98Very high0 Ų063.9 Ų63.90%030%0.3CS..Hα-helixtrans-57.5-49.3171.4-59.60000111.9Y46 E76 I77 Q82 A83 L84 F163 H166 A167Y46-T80 HydrophobicContact CD1-CG2 3.93Å; Y46-T80 HydrophobicContact CD2-CG2 4.02Å; Y46-T80 HydrophobicContact CE1-CG2 3.64Å; Y46-T80 HydrophobicContact CE2-CG2 3.74Å; Y46-T80 HydrophobicContact CG-CG2 4.1Å; Y46-T80 PolarHBondContact OH-OG1 3.43Å; E76-T80 PolarHBondContact O-N 2.88Å; E76-T80 PolarHBondContact O-OG1 3.42Å; I77-T80 PolarHBondContact O-N 3.2Å; T80-Q82 PolarHBondContact O-N 3.45Å; T80-A83 PolarHBondContact O-N 2.99Å; T80-L84 HydrophobicContact CG2-CD1 3.71Å; T80-L84 HydrophobicContact CG2-CG 3.96Å; T80-L84 WeakPolarHBondContact O-CG 3.24Å; T80-L84 PolarHBondContact O-N 3.28Å; T80-F163 PolarHBondContact OG1-O 3.42Å; T80-H166 HydrophobicContact CG2-CB 3.5Å; T80-H166 VanDerWaalsContact CG2-CB 3.5Å; T80-H166 PolarHBondContact OG1-O 2.99Å; T80-A167 WeakPolarHBondContact OG1-CA 3.34Å; T80-A167 PolarHBondContact OG1-N 2.93Å
81V98.4Very high98.1Very high54 Ų5455.9 Ų55.933%0.32727%0.266SS..Hα-helixtrans-60.4-36.5-178169.10000111.9Y43 F47 I77 K78 F79 P85Y43-V81 HydrophobicContact CE1-CB 4.44Å; Y43-V81 HydrophobicContact CE1-CG1 4.42Å; Y43-V81 HydrophobicContact CE1-CG2 4.25Å; Y43-V81 PolarHBondContact OH-O 2.94Å; F47-V81 HydrophobicContact CE2-CG2 4.2Å; F47-V81 HydrophobicContact CZ-CG2 3.75Å; I77-V81 HydrophobicContact CG2-CG2 4.23Å; I77-V81 WeakPolarHBondContact O-CB 3.45Å; I77-V81 VanDerWaalsContact O-CG2 3.28Å; I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 2.59Å; K78-V81 PolarHBondContact O-N 3.12Å; F79-V81 PolarHBondContact O-N 3.22Å; V81-P85 VanDerWaalsContact O-CD 3.25Å; V81-P85 WeakPolarHBondContact O-CD 3.31Å
82Q97.9Very high98.1Very high114 Ų11451.1 Ų51.153%0.53324%0.241SC..Hα-helixtrans-74.4-32.1176-70.1178.2-32.400112.9K78 F79 T80K78-Q82 VanDerWaalsContact O-CG 3.26Å; K78-Q82 WeakPolarHBondContact O-CG 3.22Å; K78-Q82 PolarHBondContact O-N 2.99Å; K78-Q82 VanDerWaalsContact O-N 3.09Å; F79-Q82 PolarHBondContact O-N 3.37Å; T80-Q82 PolarHBondContact O-N 3.45Å
83A97.7Very high98.1Very high3 Ų354.2 Ų54.23%0.02526%0.261CS..Hα-helixtrans-80-42.3-175.400000113.5F79 T80 V86 I87 F168 P170F79-A83 WeakPolarHBondContact O-CB 3.4Å; F79-A83 PolarHBondContact O-N 3.05Å; T80-A83 PolarHBondContact O-N 2.99Å; A83-V86 PolarHBondContact O-N 3.19Å; A83-I87 HydrophobicContact CB-CD1 4.25Å; A83-I87 WeakPolarHBondContact O-CG1 3.41Å; A83-I87 PolarHBondContact O-N 3.16Å; A83-F168 WeakPolarHBondContact CB-O 3.47Å; A83-P170 HydrophobicContact CB-CG 4.27Å
84L97.6Very high98.1Very high11 Ų1154.2 Ų54.26%0.05826%0.26CS..Hα-helixtrans-55.4-41.4-171.9-74.5177.2000115A42 Y43 T80 V86 I87 S88A42-L84 HydrophobicContact CB-CD1 4.3Å; A42-L84 HydrophobicContact CB-CD2 4.42Å; Y43-L84 HydrophobicContact CD1-CD1 3.6Å; Y43-L84 HydrophobicContact CE1-CB 3.99Å; Y43-L84 HydrophobicContact CE1-CD1 3.58Å; Y43-L84 HydrophobicContact CE1-CG 4.37Å; T80-L84 HydrophobicContact CG2-CD1 3.71Å; T80-L84 HydrophobicContact CG2-CG 3.96Å; T80-L84 WeakPolarHBondContact O-CG 3.24Å; T80-L84 PolarHBondContact O-N 3.28Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 PolarHBondContact O-N 2.72Å; L84-I87 HydrophobicContact CD2-CD1 4.43Å; L84-I87 PolarHBondContact O-N 3.43Å; L84-S88 WeakPolarHBondContact O-CB 3.42Å; L84-S88 PolarHBondContact O-N 3.45Å; L84-S88 PolarHBondContact O-OG 2.88Å
85P97.9Very high98.1Very high46 Ų4645 Ų4530%0.29923%0.225SC..Hα-helixtrans-62.9-38.5176.1-25.136000113.4N39 Y43 V81 S88 I89N39-P85 WeakPolarHBondContact OD1-CA 3.45Å; Y43-P85 WeakPolarHBondContact OH-CD 3.4Å; Y43-P85 WeakPolarHBondContact OH-CG 3.42Å; V81-P85 VanDerWaalsContact O-CD 3.25Å; V81-P85 WeakPolarHBondContact O-CD 3.31Å; P85-S88 WeakPolarHBondContact O-CB 3.47Å; P85-S88 PolarHBondContact O-N 2.9Å; P85-I89 WeakPolarHBondContact O-CG1 3.5Å; P85-I89 PolarHBondContact O-N 2.96Å; P85-I89 VanDerWaalsContact O-N 3.16Å
86V98.3Very high98Very high58 Ų5841.2 Ų41.235%0.35221%0.213SC..Hα-helixtrans-72.9-37.8179.3-175.20000110.8A83 L84 S88 I89 F90 P170A83-V86 PolarHBondContact O-N 3.19Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 PolarHBondContact O-N 2.72Å; V86-S88 VanDerWaalsContact C-N 3.28Å; V86-S88 PolarHBondContact O-N 2.95Å; V86-I89 WeakPolarHBondContact O-CB 3.43Å; V86-I89 PolarHBondContact O-N 3.48Å; V86-F90 HydrophobicContact CG1-CE2 4.05Å; V86-F90 VanDerWaalsContact O-CD2 3.25Å; V86-F90 WeakPolarHBondContact O-CD2 3.47Å; V86-P170 HydrophobicContact CB-CB 3.67Å; V86-P170 HydrophobicContact CB-CG 3.75Å; V86-P170 HydrophobicContact CG1-CB 3.48Å; V86-P170 VanDerWaalsContact CG1-CB 3.48Å; V86-P170 HydrophobicContact CG1-CG 3.82Å; V86-P170 HydrophobicContact CG2-CG 4.35Å
87I97.9Very high98Very high19 Ų1944.9 Ų44.910%0.09723%0.232CC..Hα-helixtrans-59-44.9171.9-65.4167.3000109.7A83 L84 I89 F90 T91 P170 F174A83-I87 HydrophobicContact CB-CD1 4.25Å; A83-I87 WeakPolarHBondContact O-CG1 3.41Å; A83-I87 PolarHBondContact O-N 3.16Å; L84-I87 HydrophobicContact CD2-CD1 4.43Å; L84-I87 PolarHBondContact O-N 3.43Å; I87-I89 VanDerWaalsContact C-N 3.28Å; I87-I89 PolarHBondContact O-N 3Å; I87-F90 PolarHBondContact O-N 3.2Å; I87-T91 PolarHBondContact O-N 3.33Å; I87-T91 PolarHBondContact O-OG1 2.99Å; I87-P170 HydrophobicContact CG1-CB 4.05Å; I87-P170 WeakPolarHBondContact CG1-O 3.1Å; I87-F174 HydrophobicContact CG2-CB 4.49Å
88S97.6Very high97.8Very high4 Ų443.3 Ų43.33%0.02822%0.223CC..Hα-helixtrans-61.7-32.9180-61.80000112.9N39 L84 P85 V86 F90 T91 V92N39-S88 WeakPolarHBondContact ND2-CB 3.22Å; N39-S88 PolarHBondContact ND2-OG 3.12Å; L84-S88 WeakPolarHBondContact O-CB 3.42Å; L84-S88 PolarHBondContact O-N 3.45Å; L84-S88 PolarHBondContact O-OG 2.88Å; P85-S88 WeakPolarHBondContact O-CB 3.47Å; P85-S88 PolarHBondContact O-N 2.9Å; V86-S88 VanDerWaalsContact C-N 3.28Å; V86-S88 PolarHBondContact O-N 2.95Å; S88-F90 VanDerWaalsContact C-N 3.25Å; S88-F90 PolarHBondContact O-N 3.4Å; S88-T91 PolarHBondContact O-N 3.25Å; S88-V92 WeakPolarHBondContact O-CB 3.19Å; S88-V92 VanDerWaalsContact O-CG2 3.23Å; S88-V92 WeakPolarHBondContact O-CG2 3.45Å; S88-V92 PolarHBondContact O-N 3.28Å
89I98.3Very high97.6Very high102 Ų10239.1 Ų39.152%0.52321%0.207SC..Hα-helixtrans-59.6-37.6173.2-68.3168.3000111.3L35 P85 V86 I87 P93L35-I89 HydrophobicContact CD2-CG1 4.24Å; P85-I89 WeakPolarHBondContact O-CG1 3.5Å; P85-I89 PolarHBondContact O-N 2.96Å; P85-I89 VanDerWaalsContact O-N 3.16Å; V86-I89 WeakPolarHBondContact O-CB 3.43Å; V86-I89 PolarHBondContact O-N 3.48Å; I87-I89 VanDerWaalsContact C-N 3.28Å; I87-I89 PolarHBondContact O-N 3Å; I89-P93 WeakPolarHBondContact O-CD 3.47Å
90F97.9Very high97.5Very high87 Ų8741.1 Ų41.138%0.38221%0.213SC..Hα-helixtrans-79.3-32.4176.9-63.5-64.6000112.8V86 I87 S88 P93 V171 F174V86-F90 HydrophobicContact CG1-CE2 4.05Å; V86-F90 VanDerWaalsContact O-CD2 3.25Å; V86-F90 WeakPolarHBondContact O-CD2 3.47Å; I87-F90 PolarHBondContact O-N 3.2Å; S88-F90 VanDerWaalsContact C-N 3.25Å; S88-F90 PolarHBondContact O-N 3.4Å; F90-P93 WeakPolarHBondContact O-CD 3.28Å; F90-V171 HydrophobicContact CE2-CG2 4.39Å; F90-F174 HydrophobicContact CB-CB 4.23Å; F90-F174 HydrophobicContact CB-CD1 4.01Å; F90-F174 HydrophobicContact CB-CD2 3.37Å; F90-F174 HydrophobicContact CB-CE1 4.21Å; F90-F174 HydrophobicContact CB-CE2 3.6Å; F90-F174 HydrophobicContact CB-CG 3.58Å; F90-F174 HydrophobicContact CB-CZ 4.01Å; F90-F174 HydrophobicContact CD2-CB 4.35Å; F90-F174 HydrophobicContact CD2-CG 4.45Å; F90-F174 HydrophobicContact CG-CD1 4.35Å; F90-F174 HydrophobicContact CG-CD2 4.44Å; F90-F174 HydrophobicContact CG-CG 4.2Å; F90-F174 WeakPolarHBondContact O-CE2 3.37Å
91T97.8Very high97.3Very high6 Ų644 Ų444%0.03724%0.242CC..Hα-helixtrans-79.5-38.7-178-56.40000113.4I87 S88 L94 F95 H181I87-T91 PolarHBondContact O-N 3.33Å; I87-T91 PolarHBondContact O-OG1 2.99Å; S88-T91 PolarHBondContact O-N 3.25Å; T91-L94 WeakPolarHBondContact O-CA 3.3Å; T91-L94 WeakPolarHBondContact O-CB 3.47Å; T91-L94 PolarHBondContact O-N 3.11Å; T91-F95 HydrophobicContact CG2-CD1 4.46Å; T91-F95 HydrophobicContact CG2-CD2 4.1Å; T91-F95 HydrophobicContact CG2-CE1 4.02Å; T91-F95 HydrophobicContact CG2-CE2 3.61Å; T91-F95 HydrophobicContact CG2-CZ 3.57Å; T91-F95 PolarHBondContact O-N 3.28Å; T91-H181 WeakPolarHBondContact CG2-NE2 3.31Å
92V98.1Very high97.2Very high4 Ų449.1 Ų49.12%0.02426%0.257CS..Hα-helixtrans-57.4-38.2-175.7163.90000113.9T31 L34 L35 S88 L94 F95 L96T31-V92 HydrophobicContact CG2-CG1 4.22Å; L34-V92 HydrophobicContact CB-CG1 3.86Å; L34-V92 HydrophobicContact CB-CG2 4.17Å; L34-V92 HydrophobicContact CD1-CG1 4.41Å; L35-V92 HydrophobicContact CD2-CB 4.26Å; L35-V92 HydrophobicContact CD2-CG2 3.81Å; L35-V92 HydrophobicContact CG-CB 4.41Å; L35-V92 HydrophobicContact CG-CG1 4.28Å; L35-V92 HydrophobicContact CG-CG2 4.01Å; S88-V92 WeakPolarHBondContact O-CB 3.19Å; S88-V92 VanDerWaalsContact O-CG2 3.23Å; S88-V92 WeakPolarHBondContact O-CG2 3.45Å; S88-V92 PolarHBondContact O-N 3.28Å; V92-L94 PolarHBondContact O-N 3.07Å; V92-F95 CarbonylContact O-C 3.5Å; V92-F95 PolarHBondContact O-N 3.4Å; V92-F95 VanDerWaalsContact O-N 3.09Å; V92-L96 WeakPolarHBondContact O-CB 3.25Å; V92-L96 PolarHBondContact O-N 3.21Å
93P98.2Very high97.1Very high67 Ų6744.5 Ų44.544%0.43524%0.238SC..Hα-helixtrans-54-37.8171.5-29.636.1000113.6I89 F90 L96 L97I89-P93 WeakPolarHBondContact O-CD 3.47Å; F90-P93 WeakPolarHBondContact O-CD 3.28Å; P93-L96 PolarHBondContact O-N 2.83Å; P93-L97 VanDerWaalsContact O-CG 3.31Å; P93-L97 WeakPolarHBondContact O-CG 3.34Å; P93-L97 PolarHBondContact O-N 3.17Å
94L97.9Very high97Very high27 Ų2749.8 Ų49.814%0.14126%0.26CS..Hα-helixtrans-68.6-42.4176.1-58.5176000111T91 V92 L96 L97 E98 F174 L178 H181 I182T91-L94 WeakPolarHBondContact O-CA 3.3Å; T91-L94 WeakPolarHBondContact O-CB 3.47Å; T91-L94 PolarHBondContact O-N 3.11Å; V92-L94 PolarHBondContact O-N 3.07Å; L94-L96 VanDerWaalsContact C-N 3.3Å; L94-L96 PolarHBondContact O-N 2.85Å; L94-L97 PolarHBondContact O-N 2.87Å; L94-E98 WeakPolarHBondContact O-CB 3.49Å; L94-E98 PolarHBondContact O-N 2.71Å; L94-F174 HydrophobicContact CD1-CE2 4.25Å; L94-L178 HydrophobicContact CD1-CD1 3.81Å; L94-H181 HydrophobicContact CB-CB 4.49Å; L94-H181 HydrophobicContact CD1-CB 3.59Å; L94-I182 HydrophobicContact CD2-CD1 4.45Å
95F97.4Very high96.7Very high4 Ų450.2 Ų50.22%0.01826%0.262CS..Hα-helixtrans-64.7-33.8174.8-65.9-23.8000113.3M1 L34 T38 T91 V92 E98 L99 H181M1-F95 HydrophobicContact CB-CB 4.24Å; M1-F95 HydrophobicContact CB-CG 4.32Å; M1-F95 HydrophobicContact CE-CD2 4.22Å; M1-F95 HydrophobicContact CE-CE2 4.27Å; M1-F95 HydrophobicContact CG-CB 3.94Å; M1-F95 HydrophobicContact CG-CD1 3.5Å; M1-F95 HydrophobicContact CG-CD2 3.76Å; M1-F95 HydrophobicContact CG-CE1 3.8Å; M1-F95 HydrophobicContact CG-CE2 4.04Å; M1-F95 HydrophobicContact CG-CG 3.48Å; M1-F95 VanDerWaalsContact CG-CG 3.48Å; M1-F95 HydrophobicContact CG-CZ 4.05Å; M1-F95 HydrophobicContact SD-CD2 4.34Å; M1-F95 HydrophobicContact SD-CE1 4.49Å; M1-F95 HydrophobicContact SD-CE2 4.15Å; M1-F95 HydrophobicContact SD-CZ 4.23Å; L34-F95 HydrophobicContact CD1-CB 4.22Å; L34-F95 HydrophobicContact CD2-CB 4.32Å; T38-F95 HydrophobicContact CG2-CE2 3.86Å; T38-F95 WeakPolarHBondContact OG1-CD2 3.46Å; T38-F95 WeakPolarHBondContact OG1-CE2 3.45Å; T91-F95 HydrophobicContact CG2-CD1 4.46Å; T91-F95 HydrophobicContact CG2-CD2 4.1Å; T91-F95 HydrophobicContact CG2-CE1 4.02Å; T91-F95 HydrophobicContact CG2-CE2 3.61Å; T91-F95 HydrophobicContact CG2-CZ 3.57Å; T91-F95 PolarHBondContact O-N 3.28Å; V92-F95 CarbonylContact O-C 3.5Å; V92-F95 PolarHBondContact O-N 3.4Å; V92-F95 VanDerWaalsContact O-N 3.09Å; F95-E98 WeakPolarHBondContact O-CB 3.12Å; F95-E98 PolarHBondContact O-N 3.18Å; F95-L99 WeakPolarHBondContact O-CB 3.46Å; F95-L99 PolarHBondContact O-N 2.99Å; F95-H181 AromaticContact CE1-CE1 3.56Å; F95-H181 AromaticContact CE1-ND1 3.52Å; F95-H181 AromaticContact CZ-CE1 3.59Å
96L97.6Very high96.3Very high26 Ų2649.9 Ų49.914%0.13626%0.256CS..Hα-helixtrans-68.6-43175.2-173.964.5000110.8I27 Q30 L34 V92 P93 L94 E98 L99 R100I27-L96 HydrophobicContact CD1-CD2 4.12Å; I27-L96 HydrophobicContact CG1-CD1 4.3Å; I27-L96 HydrophobicContact CG1-CD2 3.84Å; Q30-L96 HydrophobicContact CB-CD1 3.97Å; L34-L96 HydrophobicContact CD1-CB 4.23Å; L34-L96 HydrophobicContact CD1-CD1 4.25Å; V92-L96 WeakPolarHBondContact O-CB 3.25Å; V92-L96 PolarHBondContact O-N 3.21Å; P93-L96 PolarHBondContact O-N 2.83Å; L94-L96 VanDerWaalsContact C-N 3.3Å; L94-L96 PolarHBondContact O-N 2.85Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.25Å; L96-L99 HydrophobicContact CD1-CD2 4.42Å; L96-L99 PolarHBondContact O-N 3.15Å; L96-R100 WeakPolarHBondContact O-CB 3.47Å; L96-R100 WeakPolarHBondContact O-CG 3.46Å; L96-R100 PolarHBondContact O-N 2.92Å
97L97.6Very high95.7Very high76 Ų7651.8 Ų51.840%0.39827%0.265SS..Hα-helixtrans-61.7-40.9173.4-70.6172.5000111.6P93 L94 R100 G101 Y102 F185P93-L97 VanDerWaalsContact O-CG 3.31Å; P93-L97 WeakPolarHBondContact O-CG 3.34Å; P93-L97 PolarHBondContact O-N 3.17Å; L94-L97 PolarHBondContact O-N 2.87Å; L97-R100 PolarHBondContact O-N 3.34Å; L97-G101 PolarHBondContact O-N 3.49Å; L97-Y102 HydrophobicContact CB-CD2 4.33Å; L97-Y102 HydrophobicContact CD2-CD2 3.7Å; L97-Y102 HydrophobicContact CD2-CE2 4.08Å; L97-Y102 HydrophobicContact CD2-CG 4.26Å; L97-Y102 WeakPolarHBondContact O-CB 3.5Å; L97-Y102 WeakPolarHBondContact O-CD2 3.1Å; L97-Y102 PolarHBondContact O-N 3.18Å; L97-F185 HydrophobicContact CB-CE1 3.89Å; L97-F185 HydrophobicContact CB-CZ 3.98Å
98E95.3Very high94.5Very high11 Ų1154.7 Ų54.75%0.05128%0.28CS..Iπ-helixtrans-57.8-51.3174.1-173.5-167.110700111.2M1 L94 F95 L96 R100 G101 S103 L105 F185 Y194M1-E98 PolarHBondContact N-OE1 3.38Å; L94-E98 WeakPolarHBondContact O-CB 3.49Å; L94-E98 PolarHBondContact O-N 2.71Å; F95-E98 WeakPolarHBondContact O-CB 3.12Å; F95-E98 PolarHBondContact O-N 3.18Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.25Å; E98-R100 VanDerWaalsContact C-N 3.25Å; E98-R100 PolarHBondContact O-N 2.66Å; E98-G101 PolarHBondContact O-N 3.2Å; E98-S103 WeakPolarHBondContact CG-OG 3.49Å; E98-L105 HydrophobicContact CG-CD1 3.53Å; E98-L105 HydrophobicContact CG-CG 4.36Å; E98-F185 HydrophobicContact CB-CZ 4.29Å; E98-Y194 VanDerWaalsContact OE2-CE1 3.28Å; E98-Y194 WeakPolarHBondContact OE2-CE1 3.49Å
99L94.3Very high92.9Very high42 Ų4259.1 Ų59.122%0.2230%0.303CS..Iπ-helixtrans-60.4-32.5177.6-177.668.8000112.9D2 L5 Q30 L34 F95 L96 G101D2-L99 HydrophobicContact CB-CD1 3.5Å; D2-L99 VanDerWaalsContact CB-CD1 3.5Å; L5-L99 HydrophobicContact CD2-CD1 4.3Å; L5-L99 HydrophobicContact CD2-CD2 3.56Å; Q30-L99 HydrophobicContact CB-CD2 4.03Å; Q30-L99 HydrophobicContact CG-CD2 3.83Å; L34-L99 HydrophobicContact CD1-CD2 4.35Å; F95-L99 WeakPolarHBondContact O-CB 3.46Å; F95-L99 PolarHBondContact O-N 2.99Å; L96-L99 HydrophobicContact CD1-CD2 4.42Å; L96-L99 PolarHBondContact O-N 3.15Å; L99-G101 PolarHBondContact O-N 2.74Å
100R94.9Very high90.9Very high102 Ų10257.3 Ų57.339%0.38531%0.31SS..Iπ-helixtrans-83.16.9178.1-65.8-68.6178.7176.8-1.6113.5D25 I27 L96 L97 E98 Y102D25-R100 PolarHBondContact O-NH1 3.11Å; D25-R100 VanDerWaalsContact O-NH1 3.13Å; D25-R100 PolarHBondContact O-NH2 3.2Å; I27-R100 VanDerWaalsContact CA-NH2 3.3Å; L96-R100 WeakPolarHBondContact O-CB 3.47Å; L96-R100 WeakPolarHBondContact O-CG 3.46Å; L96-R100 PolarHBondContact O-N 2.92Å; L97-R100 PolarHBondContact O-N 3.34Å; E98-R100 VanDerWaalsContact C-N 3.25Å; E98-R100 PolarHBondContact O-N 2.66Å; R100-Y102 HydrophobicContact CB-CD2 3.81Å; R100-Y102 HydrophobicContact CB-CE2 3.82Å
101G94.1Very high88.8Confident60 Ų6060.9 Ų60.962%0.61933%0.328SS*.Iπ-helixtrans81.515.917400000114.6L97 E98 L99 S103L97-G101 PolarHBondContact O-N 3.49Å; E98-G101 PolarHBondContact O-N 3.2Å; L99-G101 PolarHBondContact O-N 2.74Å; G101-S103 VanDerWaalsContact C-N 3.3Å
102Y96.6Very high87Confident162 Ų16262.7 Ų62.764%0.63534%0.335SS*.Iπ-helixtrans-81.3-11.8174.4-67-78.5000113.2L97 R100 F185L97-Y102 HydrophobicContact CB-CD2 4.33Å; L97-Y102 HydrophobicContact CD2-CD2 3.7Å; L97-Y102 HydrophobicContact CD2-CE2 4.08Å; L97-Y102 HydrophobicContact CD2-CG 4.26Å; L97-Y102 WeakPolarHBondContact O-CB 3.5Å; L97-Y102 WeakPolarHBondContact O-CD2 3.1Å; L97-Y102 PolarHBondContact O-N 3.18Å; R100-Y102 HydrophobicContact CB-CD2 3.81Å; R100-Y102 HydrophobicContact CB-CE2 3.82Å; Y102-F185 WeakPolarHBondContact O-CD1 3.29Å
103S96.3Very high85.2Confident18 Ų1867.5 Ų67.513%0.12637%0.366CS..SBendtrans-88.2165.3173.178.10000111.6E98 G101 L105E98-S103 WeakPolarHBondContact CG-OG 3.49Å; G101-S103 VanDerWaalsContact C-N 3.3Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 WeakPolarHBondContact OG-CB 3.42Å; S103-L105 PolarHBondContact OG-N 3.42Å
104K94.7Very high83.7Confident113 Ų11372.1 Ų72.149%0.49138%0.377SS..  trans-95.622.7172.1-59.1173.5176.6-71.70111.9P184 I186 P188 L189K104-P184 WeakPolarHBondContact CA-O 3.34Å; K104-P184 WeakPolarHBondContact CB-O 2.99Å; K104-P184 PolarHBondContact N-O 2.9Å; K104-I186 VanDerWaalsContact CD-O 3.3Å; K104-I186 WeakPolarHBondContact CD-O 3.36Å; K104-I186 VanDerWaalsContact CE-O 3.25Å; K104-I186 WeakPolarHBondContact CE-O 3.07Å; K104-P188 WeakPolarHBondContact O-CA 3.49Å; K104-L189 PolarHBondContact O-N 3.12Å
105L93.1Very high82.7Confident20 Ų2072.3 Ų72.311%0.10539%0.385CS..EExtended strand (participates in β ladder)trans-72134.5173.1-70.9-173.9000110.6E98 S103 P184 L189 K191 Y194E98-L105 HydrophobicContact CG-CD1 3.53Å; E98-L105 HydrophobicContact CG-CG 4.36Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 WeakPolarHBondContact OG-CB 3.42Å; S103-L105 PolarHBondContact OG-N 3.42Å; L105-P184 HydrophobicContact CD1-CB 4.45Å; L105-P184 HydrophobicContact CD2-CB 3.55Å; L105-P184 HydrophobicContact CG-CB 3.73Å; L105-L189 WeakPolarHBondContact CA-O 2.88Å; L105-L189 HydrophobicContact CD2-CB 3.95Å; L105-L189 HydrophobicContact CD2-CG 4.42Å; L105-L189 WeakPolarHBondContact CD2-O 3.24Å; L105-K191 HydrophobicContact CB-CG 3.7Å; L105-K191 HydrophobicContact CD1-CG 4.25Å; L105-K191 HydrophobicContact CG-CG 4.45Å; L105-Y194 HydrophobicContact CD1-CD1 3.62Å; L105-Y194 HydrophobicContact CD1-CE1 3.96Å; L105-Y194 HydrophobicContact CD1-CG 4.32Å; L105-Y194 HydrophobicContact CD2-CD1 4.08Å; L105-Y194 HydrophobicContact CD2-CG 3.94Å
106H89.6Confident81.9Confident39 Ų3978 Ų7818%0.18142%0.415CS..EExtended strand (participates in β ladder)trans-131.4154.1-178.263.384.7000111.8D108 F112 L189 H190 K191H106-D108 PolarHBondContact CE1-O 3.38Å; H106-D108 PolarHBondContact ND1-O 3.25Å; H106-F112 AromaticContact CE1-CE2 3.18Å; H106-F112 WeakPolarHBondContact CE1-CE2 3.45Å; H106-F112 AromaticContact CE1-CZ 3.55Å; H106-F112 AromaticContact NE2-CE2 3.49Å; H106-F112 WeakPolarHBondContact NE2-CE2 3.47Å; H106-F112 AromaticContact NE2-CZ 3.37Å; H106-F112 WeakPolarHBondContact NE2-CZ 3.46Å; H106-L189 PolarHBondContact CD2-O 2.77Å; H106-L189 PolarHBondContact N-O 2.99Å; H106-L189 VanDerWaalsContact NE2-C 3.27Å; H106-H190 AromaticContact CE1-CD2 3.95Å; H106-H190 PolarHBondContact NE2-N 3.15Å; H106-K191 WeakPolarHBondContact O-CG 3.15Å; H106-K191 PolarHBondContact O-N 2.84Å
107D85.1Confident81.4Confident99 Ų9983 Ų8353%0.52944%0.436SS..SBendtrans-89.8-27.9-178.8-64-68.3000113.3H190 K191D107-H190 PolarHBondContact O-NE2 3.35Å; D107-H190 VanDerWaalsContact O-NE2 3.1Å; D107-K191 WeakPolarHBondContact OD1-CD 3.22Å; D107-K191 IonicContact OD1-NZ 2.75Å; D107-K191 PolarHBondContact OD1-NZ 3.27Å; D107-K191 IonicContact OD2-NZ 3.49Å; D107-K191 PolarHBondContact OD2-NZ 2.92Å
108D73.4Confident80.7Confident79 Ų7981.5 Ų81.542%0.42243%0.427SS..  trans-88.6135.9-170.8-160.14.8000111.9H106 G110 E111H106-D108 PolarHBondContact CE1-O 3.38Å; H106-D108 PolarHBondContact ND1-O 3.25Å; D108-G110 VanDerWaalsContact CG-N 3.26Å; D108-G110 WeakPolarHBondContact OD1-CA 3.08Å; D108-G110 PolarHBondContact OD1-N 3.46Å; D108-E111 HydrophobicContact CB-CG 4.42Å
109L62.7Low80.4Confident97 Ų9782.4 Ų82.451%0.50843%0.432SS..SBendtrans-90.2-16.8164.7-67.5172.3000111.4L119 H190L109-L119 HydrophobicContact CD2-CD1 4.36Å; L109-H190 HydrophobicContact CD2-CB 4.45Å; L109-H190 VanDerWaalsContact CD2-CD2 3.45Å; L109-H190 WeakPolarHBondContact CD2-CD2 3.46Å
110G56.4Low80.2Confident65 Ų6584.3 Ų84.367%0.6744%0.441SS*.THydrogen-bonded Turntrans-83.4-10.3-171.600000116.2D108D108-G110 VanDerWaalsContact CG-N 3.26Å; D108-G110 WeakPolarHBondContact OD1-CA 3.08Å; D108-G110 PolarHBondContact OD1-N 3.46Å
111E53.8Low80.1Confident161 Ų16183.3 Ų83.375%0.75244%0.443SS*.THydrogen-bonded Turntrans-89-3.9176.2-72.5-172.9170.500113.8D108 P113D108-E111 HydrophobicContact CB-CG 4.42Å; E111-P113 VanDerWaalsContact O-CD 3.3Å; E111-P113 WeakPolarHBondContact O-CD 3.21Å
112F59.8Low80.1Confident45 Ų4581.3 Ų81.320%0.19742%0.419CS..  trans-87.1111.9-177.6-85.5-47.3000111.3H106 Y114 G115 E118H106-F112 AromaticContact CE1-CE2 3.18Å; H106-F112 WeakPolarHBondContact CE1-CE2 3.45Å; H106-F112 AromaticContact CE1-CZ 3.55Å; H106-F112 AromaticContact NE2-CE2 3.49Å; H106-F112 WeakPolarHBondContact NE2-CE2 3.47Å; H106-F112 AromaticContact NE2-CZ 3.37Å; H106-F112 WeakPolarHBondContact NE2-CZ 3.46Å; F112-Y114 PolarHBondContact O-N 2.76Å; F112-G115 PolarHBondContact O-N 2.93Å; F112-E118 WeakPolarHBondContact CA-OE2 3.46Å; F112-E118 WeakPolarHBondContact CB-OE2 3.13Å; F112-E118 HydrophobicContact CD1-CB 4.02Å; F112-E118 VanDerWaalsContact CD1-CD 3.43Å; F112-E118 HydrophobicContact CD1-CG 4.25Å; F112-E118 WeakPolarHBondContact CD1-OE2 3.48Å; F112-E118 HydrophobicContact CE1-CB 4.42Å; F112-E118 HydrophobicContact CG-CB 4.15Å; F112-E118 WeakPolarHBondContact CG-OE2 3.47Å
113P59.8Low80Confident104 Ų10476.2 Ų76.268%0.67540%0.402SS*.THydrogen-bonded Turntrans-59.3-16.7-179.522.4-30.6000113E111E111-P113 VanDerWaalsContact O-CD 3.3Å; E111-P113 WeakPolarHBondContact O-CD 3.21Å
114Y66.9Low80.1Confident165 Ų16579.1 Ų79.165%0.64742%0.416SS*.THydrogen-bonded Turntrans-120.28177.9-50.6-74.6000114.2F112 L116 F117 E118F112-Y114 PolarHBondContact O-N 2.76Å; Y114-L116 PolarHBondContact O-N 3.27Å; Y114-F117 WeakPolarHBondContact O-CB 3.49Å; Y114-F117 PolarHBondContact O-N 2.86Å; Y114-F117 VanDerWaalsContact O-N 3.14Å; Y114-E118 HydrophobicContact CD2-CG 4.32Å; Y114-E118 WeakPolarHBondContact CD2-OE1 3.34Å; Y114-E118 PolarHBondContact N-OE2 3.21Å; Y114-E118 VanDerWaalsContact N-OE2 3.07Å
115G77.9Confident80.2Confident31 Ų3175.7 Ų75.732%0.3241%0.406SS..THydrogen-bonded Turntrans49.4-116.4170.600000115.2F112 F117 E118 L119F112-G115 PolarHBondContact O-N 2.93Å; G115-F117 PolarHBondContact O-N 3.34Å; G115-E118 PolarHBondContact O-N 3.34Å; G115-L119 PolarHBondContact O-N 3.15Å
116L81.4Confident80.5Confident123 Ų12374.8 Ų74.864%0.64440%0.401SS*.Hα-helixtrans-60.5-29-176.8-177.161.5000113.4Y114 L119 I120Y114-L116 PolarHBondContact O-N 3.27Å; L116-L119 HydrophobicContact CD1-CD2 4.17Å; L116-L119 WeakPolarHBondContact O-CB 3.39Å; L116-L119 PolarHBondContact O-N 2.79Å; L116-I120 HydrophobicContact CG-CD1 4.09Å; L116-I120 WeakPolarHBondContact O-CG1 3.45Å; L116-I120 PolarHBondContact O-N 2.8Å
117F85.9Confident80.9Confident130 Ų13075.2 Ų75.257%0.5740%0.404SS*.Hα-helixtrans-66.1-46.1179.5-180-103.4000111.5Y114 G115 L119 I120 I121Y114-F117 WeakPolarHBondContact O-CB 3.49Å; Y114-F117 PolarHBondContact O-N 2.86Å; Y114-F117 VanDerWaalsContact O-N 3.14Å; G115-F117 PolarHBondContact O-N 3.34Å; F117-L119 PolarHBondContact O-N 3.44Å; F117-I120 PolarHBondContact O-N 2.64Å; F117-I121 HydrophobicContact CD1-CG1 4.27Å; F117-I121 HydrophobicContact CE1-CD1 4.5Å; F117-I121 HydrophobicContact CE1-CG1 3.9Å; F117-I121 HydrophobicContact CE2-CD1 4.33Å; F117-I121 HydrophobicContact CE2-CG1 4.25Å; F117-I121 HydrophobicContact CZ-CD1 4.03Å; F117-I121 HydrophobicContact CZ-CG1 3.88Å; F117-I121 WeakPolarHBondContact O-CG1 3.36Å; F117-I121 PolarHBondContact O-N 3.29Å
118E83.8Confident81.5Confident45 Ų4575 Ų7521%0.2140%0.399CS..Hα-helixtrans-62.4-34.4175.8-81.716714200111.7F112 Y114 G115 I121 S122F112-E118 WeakPolarHBondContact CA-OE2 3.46Å; F112-E118 WeakPolarHBondContact CB-OE2 3.13Å; F112-E118 HydrophobicContact CD1-CB 4.02Å; F112-E118 VanDerWaalsContact CD1-CD 3.43Å; F112-E118 HydrophobicContact CD1-CG 4.25Å; F112-E118 WeakPolarHBondContact CD1-OE2 3.48Å; F112-E118 HydrophobicContact CE1-CB 4.42Å; F112-E118 HydrophobicContact CG-CB 4.15Å; F112-E118 WeakPolarHBondContact CG-OE2 3.47Å; Y114-E118 HydrophobicContact CD2-CG 4.32Å; Y114-E118 WeakPolarHBondContact CD2-OE1 3.34Å; Y114-E118 PolarHBondContact N-OE2 3.21Å; Y114-E118 VanDerWaalsContact N-OE2 3.07Å; G115-E118 PolarHBondContact O-N 3.34Å; E118-I121 PolarHBondContact O-N 2.91Å; E118-S122 VanDerWaalsContact O-CB 3.31Å; E118-S122 WeakPolarHBondContact O-CB 3.44Å; E118-S122 PolarHBondContact O-N 2.89Å; E118-S122 PolarHBondContact O-OG 2.96Å
119L87.8Confident82.7Confident30 Ų3072.6 Ų72.616%0.15739%0.385CS..Hα-helixtrans-62.9-48174.3-161.368.2000112.2L109 G115 L116 F117 S122 I123 H190 V193L109-L119 HydrophobicContact CD2-CD1 4.36Å; G115-L119 PolarHBondContact O-N 3.15Å; L116-L119 HydrophobicContact CD1-CD2 4.17Å; L116-L119 WeakPolarHBondContact O-CB 3.39Å; L116-L119 PolarHBondContact O-N 2.79Å; F117-L119 PolarHBondContact O-N 3.44Å; L119-S122 WeakPolarHBondContact O-CB 3.29Å; L119-S122 PolarHBondContact O-N 2.93Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.92Å; L119-H190 HydrophobicContact CD1-CB 4.04Å; L119-V193 HydrophobicContact CD1-CB 4.32Å; L119-V193 HydrophobicContact CD1-CG2 3.49Å; L119-V193 VanDerWaalsContact CD1-CG2 3.49Å; L119-V193 HydrophobicContact CD2-CG2 4.12Å; L119-V193 HydrophobicContact CG-CG2 4.05Å
120I91Very high84.4Confident82 Ų8268 Ų6842%0.42136%0.36SS..Hα-helixtrans-62.4-45.8178.6-69.1167.5000110.2L116 F117 S122 I123 I124L116-I120 HydrophobicContact CG-CD1 4.09Å; L116-I120 WeakPolarHBondContact O-CG1 3.45Å; L116-I120 PolarHBondContact O-N 2.8Å; F117-I120 PolarHBondContact O-N 2.64Å; I120-S122 VanDerWaalsContact C-N 3.29Å; I120-S122 PolarHBondContact O-N 3.43Å; I120-I123 PolarHBondContact O-N 3.45Å; I120-I124 HydrophobicContact CG2-CD1 3.83Å; I120-I124 HydrophobicContact CG2-CG1 4.49Å; I120-I124 WeakPolarHBondContact O-CG1 3.46Å; I120-I124 PolarHBondContact O-N 3.03Å
121I92.8Very high86.4Confident82 Ų8264.9 Ų64.942%0.42133%0.329SS..Hα-helixtrans-61.2-40176.7-66.3-62.2000111F117 E118 I123 I124 S125F117-I121 HydrophobicContact CD1-CG1 4.27Å; F117-I121 HydrophobicContact CE1-CD1 4.5Å; F117-I121 HydrophobicContact CE1-CG1 3.9Å; F117-I121 HydrophobicContact CE2-CD1 4.33Å; F117-I121 HydrophobicContact CE2-CG1 4.25Å; F117-I121 HydrophobicContact CZ-CD1 4.03Å; F117-I121 HydrophobicContact CZ-CG1 3.88Å; F117-I121 WeakPolarHBondContact O-CG1 3.36Å; F117-I121 PolarHBondContact O-N 3.29Å; E118-I121 PolarHBondContact O-N 2.91Å; I121-I123 PolarHBondContact O-N 2.96Å; I121-I124 PolarHBondContact O-N 3.17Å; I121-S125 WeakPolarHBondContact O-CB 3.47Å; I121-S125 PolarHBondContact O-N 3.29Å
122S93.4Very high88.5Confident17 Ų1759.6 Ų59.612%0.11930%0.304CS..Hα-helixtrans-64.2-39.3177.1-60.90000112.4E118 L119 I120 F126 Y183E118-S122 VanDerWaalsContact O-CB 3.31Å; E118-S122 WeakPolarHBondContact O-CB 3.44Å; E118-S122 PolarHBondContact O-N 2.89Å; E118-S122 PolarHBondContact O-OG 2.96Å; L119-S122 WeakPolarHBondContact O-CB 3.29Å; L119-S122 PolarHBondContact O-N 2.93Å; I120-S122 VanDerWaalsContact C-N 3.29Å; I120-S122 PolarHBondContact O-N 3.43Å; S122-F126 VanDerWaalsContact O-CB 3.29Å; S122-F126 WeakPolarHBondContact O-CB 3.17Å; S122-F126 PolarHBondContact O-N 2.78Å; S122-Y183 PolarHBondContact O-OH 3.48Å
123I95.8Very high90.3Very high55 Ų5561.4 Ų61.428%0.28231%0.312SS..Hα-helixtrans-65.6-48.3175-69.2165.1000110.8L119 I120 I121 S125 F126 L127 V193 L197L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.92Å; I120-I123 PolarHBondContact O-N 3.45Å; I121-I123 PolarHBondContact O-N 2.96Å; I123-S125 VanDerWaalsContact C-N 3.35Å; I123-S125 PolarHBondContact O-N 3.17Å; I123-F126 WeakPolarHBondContact O-CB 3.03Å; I123-F126 PolarHBondContact O-N 3.01Å; I123-L127 HydrophobicContact CG2-CD1 4.18Å; I123-L127 WeakPolarHBondContact O-CG 3.33Å; I123-L127 PolarHBondContact O-N 3.47Å; I123-V193 HydrophobicContact CD1-CG1 4.05Å; I123-V193 HydrophobicContact CG1-CG1 3.65Å; I123-L197 HydrophobicContact CG1-CD1 4.41Å; I123-L197 HydrophobicContact CG2-CD2 4.24Å
124I96.8Very high92.2Very high80 Ų8056.5 Ų56.541%0.4128%0.281SS..Hα-helixtrans-60.4-48.4178.3-67.6170.4000109.7I120 I121 F126 L127 F128I120-I124 HydrophobicContact CG2-CD1 3.83Å; I120-I124 HydrophobicContact CG2-CG1 4.49Å; I120-I124 WeakPolarHBondContact O-CG1 3.46Å; I120-I124 PolarHBondContact O-N 3.03Å; I121-I124 PolarHBondContact O-N 3.17Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.48Å; I124-L127 PolarHBondContact O-N 2.96Å; I124-F128 HydrophobicContact CG2-CD2 3.73Å; I124-F128 HydrophobicContact CG2-CE2 3.85Å; I124-F128 WeakPolarHBondContact O-CD2 3.43Å; I124-F128 PolarHBondContact O-N 3.32Å
125S97.7Very high93.7Very high40 Ų4048.6 Ų48.628%0.2825%0.25SC..Hα-helixtrans-56.8-45.3176.4174.20000111.8I121 I123 L127 F128 F129 Y183I121-S125 WeakPolarHBondContact O-CB 3.47Å; I121-S125 PolarHBondContact O-N 3.29Å; I123-S125 VanDerWaalsContact C-N 3.35Å; I123-S125 PolarHBondContact O-N 3.17Å; S125-L127 PolarHBondContact O-N 3.26Å; S125-F128 PolarHBondContact O-N 3.48Å; S125-F129 WeakPolarHBondContact O-CB 3.46Å; S125-F129 PolarHBondContact O-N 2.85Å; S125-Y183 VanDerWaalsContact CB-OH 3.25Å; S125-Y183 WeakPolarHBondContact CB-OH 3.29Å; S125-Y183 PolarHBondContact OG-OH 2.89Å
126F98.2Very high94.7Very high1 Ų153 Ų530%0.00426%0.257CS..Hα-helixtrans-58.4-47.9175.2177.8-87.8000112S122 I123 I124 T130 Y180 Y183 L189 Y194 L197 V201S122-F126 VanDerWaalsContact O-CB 3.29Å; S122-F126 WeakPolarHBondContact O-CB 3.17Å; S122-F126 PolarHBondContact O-N 2.78Å; I123-F126 WeakPolarHBondContact O-CB 3.03Å; I123-F126 PolarHBondContact O-N 3.01Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.48Å; F126-T130 HydrophobicContact CD1-CG2 4.23Å; F126-T130 HydrophobicContact CD2-CG2 4.19Å; F126-T130 HydrophobicContact CE1-CG2 4.03Å; F126-T130 HydrophobicContact CE2-CG2 3.98Å; F126-T130 HydrophobicContact CG-CG2 4.32Å; F126-T130 HydrophobicContact CZ-CG2 3.91Å; F126-T130 WeakPolarHBondContact O-CB 3.3Å; F126-T130 WeakPolarHBondContact O-CG2 3.1Å; F126-T130 PolarHBondContact O-N 3.39Å; F126-T130 PolarHBondContact O-OG1 3.41Å; F126-Y180 HydrophobicContact CE1-CD1 4.09Å; F126-Y180 AromaticContact CZ-CD1 3.65Å; F126-Y180 HydrophobicContact CZ-CD1 3.65Å; F126-Y180 HydrophobicContact CZ-CE1 4.48Å; F126-Y180 HydrophobicContact CZ-CG 4.41Å; F126-Y183 VanDerWaalsContact CA-CE2 3.47Å; F126-Y183 HydrophobicContact CB-CD1 4.48Å; F126-Y183 HydrophobicContact CB-CD2 4.48Å; F126-Y183 HydrophobicContact CB-CE1 4.12Å; F126-Y183 HydrophobicContact CB-CE2 4.13Å; F126-Y183 AromaticContact CD2-CD1 3.6Å; F126-Y183 HydrophobicContact CD2-CD1 3.6Å; F126-Y183 HydrophobicContact CD2-CD2 4.14Å; F126-Y183 HydrophobicContact CD2-CE1 4.06Å; F126-Y183 AromaticContact CD2-CG 3.63Å; F126-Y183 HydrophobicContact CD2-CG 3.63Å; F126-Y183 HydrophobicContact CE2-CD1 4.4Å; F126-Y183 HydrophobicContact CE2-CG 4.3Å; F126-Y183 PolarHBondContact N-OH 3Å; F126-L189 HydrophobicContact CD2-CD2 4.13Å; F126-Y194 HydrophobicContact CE2-CD2 4.44Å; F126-L197 HydrophobicContact CB-CD1 4.18Å; F126-L197 HydrophobicContact CD1-CB 4.35Å; F126-L197 HydrophobicContact CD1-CD1 3.72Å; F126-L197 HydrophobicContact CD1-CD2 4.18Å; F126-L197 HydrophobicContact CD1-CG 4.31Å; F126-L197 HydrophobicContact CD2-CD1 4.26Å; F126-L197 HydrophobicContact CE1-CB 3.91Å; F126-L197 HydrophobicContact CE1-CD1 4.11Å; F126-L197 HydrophobicContact CE1-CD2 4.39Å; F126-L197 HydrophobicContact CE1-CG 4.37Å; F126-L197 HydrophobicContact CG-CD1 3.8Å; F126-L197 HydrophobicContact CZ-CB 4.19Å; F126-V201 HydrophobicContact CE1-CG1 4.08Å
127L98Very high95.5Very high48 Ų4849.2 Ų49.225%0.25124%0.236SC..Hα-helixtrans-62.7-48.4-179.6-69175.1000111.5I123 I124 S125 T130 D131 Y243 F244I123-L127 HydrophobicContact CG2-CD1 4.18Å; I123-L127 WeakPolarHBondContact O-CG 3.33Å; I123-L127 PolarHBondContact O-N 3.47Å; I124-L127 PolarHBondContact O-N 2.96Å; S125-L127 PolarHBondContact O-N 3.26Å; L127-T130 PolarHBondContact O-N 2.9Å; L127-T130 PolarHBondContact O-OG1 3.05Å; L127-D131 WeakPolarHBondContact O-CB 3.46Å; L127-D131 PolarHBondContact O-N 3.35Å; L127-Y243 HydrophobicContact CD2-CE2 4.29Å; L127-F244 HydrophobicContact CB-CE2 4.37Å
128F97.8Very high96.1Very high94 Ų9443.1 Ų43.141%0.41221%0.21SC..Hα-helixtrans-67.2-39.9179.6-85-91.3000113I124 S125 M132 L246I124-F128 HydrophobicContact CG2-CD2 3.73Å; I124-F128 HydrophobicContact CG2-CE2 3.85Å; I124-F128 WeakPolarHBondContact O-CD2 3.43Å; I124-F128 PolarHBondContact O-N 3.32Å; S125-F128 PolarHBondContact O-N 3.48Å; F128-M132 WeakPolarHBondContact O-CB 3.44Å; F128-M132 PolarHBondContact O-N 2.93Å; F128-M132 VanDerWaalsContact O-N 3.09Å; F128-L246 HydrophobicContact CD1-CD2 4.18Å; F128-L246 HydrophobicContact CE1-CD2 3.75Å
129F98.5Very high96.8Very high29 Ų2945.2 Ų45.213%0.12722%0.216CC..Hα-helixtrans-61-52175.7179.4-84.1000110.4S125 M132 F133 P179 Y183 I186 F187S125-F129 WeakPolarHBondContact O-CB 3.46Å; S125-F129 PolarHBondContact O-N 2.85Å; F129-M132 PolarHBondContact O-N 3.34Å; F129-F133 AromaticContact CD1-CD2 3.82Å; F129-F133 HydrophobicContact CD1-CD2 3.82Å; F129-F133 HydrophobicContact CD1-CE2 4.27Å; F129-F133 AromaticContact CD2-CD2 3.96Å; F129-F133 HydrophobicContact CD2-CD2 3.96Å; F129-F133 AromaticContact CD2-CE2 3.61Å; F129-F133 HydrophobicContact CD2-CE2 3.61Å; F129-F133 AromaticContact CE1-CD2 3.6Å; F129-F133 HydrophobicContact CE1-CD2 3.6Å; F129-F133 AromaticContact CE1-CE2 3.93Å; F129-F133 HydrophobicContact CE1-CE2 3.93Å; F129-F133 HydrophobicContact CE1-CG 4.5Å; F129-F133 AromaticContact CE2-CD2 3.76Å; F129-F133 HydrophobicContact CE2-CD2 3.76Å; F129-F133 AromaticContact CE2-CE2 3.2Å; F129-F133 HydrophobicContact CE2-CE2 3.2Å; F129-F133 HydrophobicContact CE2-CZ 4.13Å; F129-F133 AromaticContact CG-CD2 4Å; F129-F133 HydrophobicContact CG-CD2 4Å; F129-F133 HydrophobicContact CG-CE2 4.13Å; F129-F133 AromaticContact CZ-CD2 3.56Å; F129-F133 HydrophobicContact CZ-CD2 3.56Å; F129-F133 AromaticContact CZ-CE2 3.37Å; F129-F133 HydrophobicContact CZ-CE2 3.37Å; F129-F133 HydrophobicContact CZ-CZ 4.24Å; F129-F133 VanDerWaalsContact O-CD2 3.28Å; F129-F133 WeakPolarHBondContact O-CD2 3.37Å; F129-F133 PolarHBondContact O-N 2.98Å; F129-F133 VanDerWaalsContact O-N 3.1Å; F129-P179 HydrophobicContact CE1-CB 4.41Å; F129-Y183 HydrophobicContact CB-CD2 3.82Å; F129-Y183 HydrophobicContact CB-CE2 3.9Å; F129-Y183 AromaticContact CD1-CD2 3.63Å; F129-Y183 HydrophobicContact CD1-CD2 3.63Å; F129-Y183 HydrophobicContact CD1-CG 4.46Å; F129-Y183 HydrophobicContact CD2-CD2 4.25Å; F129-Y183 HydrophobicContact CE1-CD2 4.23Å; F129-Y183 AromaticContact CG-CD2 3.65Å; F129-Y183 HydrophobicContact CG-CD2 3.65Å; F129-Y183 HydrophobicContact CG-CE2 4.13Å; F129-I186 HydrophobicContact CE2-CD1 4.26Å; F129-I186 HydrophobicContact CZ-CD1 3.98Å; F129-F187 AromaticContact CD2-CE2 3.72Å; F129-F187 HydrophobicContact CD2-CE2 3.72Å; F129-F187 AromaticContact CE2-CE2 3.74Å; F129-F187 HydrophobicContact CE2-CE2 3.74Å
130T98.4Very high97.3Very high0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-67.6-41.5-175.757.30000111.1F126 L127 M132 F133 I134 P179 Y180F126-T130 HydrophobicContact CD1-CG2 4.23Å; F126-T130 HydrophobicContact CD2-CG2 4.19Å; F126-T130 HydrophobicContact CE1-CG2 4.03Å; F126-T130 HydrophobicContact CE2-CG2 3.98Å; F126-T130 HydrophobicContact CG-CG2 4.32Å; F126-T130 HydrophobicContact CZ-CG2 3.91Å; F126-T130 WeakPolarHBondContact O-CB 3.3Å; F126-T130 WeakPolarHBondContact O-CG2 3.1Å; F126-T130 PolarHBondContact O-N 3.39Å; F126-T130 PolarHBondContact O-OG1 3.41Å; L127-T130 PolarHBondContact O-N 2.9Å; L127-T130 PolarHBondContact O-OG1 3.05Å; T130-M132 VanDerWaalsContact C-N 3.33Å; T130-M132 PolarHBondContact O-N 2.97Å; T130-F133 PolarHBondContact O-N 3.39Å; T130-I134 VanDerWaalsContact O-CB 3.25Å; T130-I134 WeakPolarHBondContact O-CB 3.02Å; T130-I134 WeakPolarHBondContact O-CD1 3.45Å; T130-I134 WeakPolarHBondContact O-CG1 3.48Å; T130-I134 PolarHBondContact O-N 3.01Å; T130-P179 HydrophobicContact CG2-CB 4.36Å; T130-Y180 HydrophobicContact CG2-CD1 3.43Å; T130-Y180 VanDerWaalsContact CG2-CD1 3.43Å; T130-Y180 HydrophobicContact CG2-CE1 3.84Å; T130-Y180 HydrophobicContact CG2-CG 4.48Å
131D98.3Very high97.6Very high0 Ų041.8 Ų41.80%021%0.207CC..Hα-helixtrans-57.1-44.9174.5-161.256.4000112.2L127 Y135 Q242 Y243 F244L127-D131 WeakPolarHBondContact O-CB 3.46Å; L127-D131 PolarHBondContact O-N 3.35Å; D131-Y135 VanDerWaalsContact O-CB 3.27Å; D131-Y135 WeakPolarHBondContact O-CB 3.38Å; D131-Y135 PolarHBondContact O-N 3.22Å; D131-Q242 PolarHBondContact OD1-N 3.34Å; D131-Q242 VanDerWaalsContact OD1-N 3.15Å; D131-Y243 HydrophobicContact CB-CD2 3.89Å; D131-Y243 HydrophobicContact CB-CE2 4.46Å; D131-Y243 PolarHBondContact OD1-N 3.16Å; D131-F244 HydrophobicContact CB-CD2 4.21Å; D131-F244 PolarHBondContact OD1-N 2.92Å; D131-F244 WeakPolarHBondContact OD2-CB 3.27Å
132M98.3Very high97.8Very high50 Ų5039.1 Ų39.125%0.24619%0.193CC..Hα-helixtrans-61.6-53.8179.1-176.9-179.170.800112.2F128 F129 T130 Y135 W136 W247F128-M132 WeakPolarHBondContact O-CB 3.44Å; F128-M132 PolarHBondContact O-N 2.93Å; F128-M132 VanDerWaalsContact O-N 3.09Å; F129-M132 PolarHBondContact O-N 3.34Å; T130-M132 VanDerWaalsContact C-N 3.33Å; T130-M132 PolarHBondContact O-N 2.97Å; M132-Y135 WeakPolarHBondContact O-CB 3.32Å; M132-Y135 PolarHBondContact O-N 3.42Å; M132-W136 PolarHBondContact O-N 2.91Å; M132-W247 VanDerWaalsContact CA-NE1 3.3Å; M132-W247 HydrophobicContact CB-CD2 4.13Å; M132-W247 HydrophobicContact CB-CH2 4.16Å; M132-W247 HydrophobicContact CB-CZ2 3.41Å; M132-W247 VanDerWaalsContact CB-CZ2 3.41Å; M132-W247 HydrophobicContact CG-CD2 3.96Å; M132-W247 HydrophobicContact CG-CE3 4.12Å; M132-W247 HydrophobicContact CG-CH2 3.49Å; M132-W247 VanDerWaalsContact CG-CH2 3.49Å; M132-W247 HydrophobicContact CG-CZ2 3.29Å; M132-W247 HydrophobicContact CG-CZ3 3.9Å; M132-W247 HydrophobicContact SD-CH2 3.34Å; M132-W247 WeakPolarHBondContact SD-CH2 3.25Å; M132-W247 HydrophobicContact SD-CZ2 3.51Å; M132-W247 VanDerWaalsContact SD-CZ2 3.51Å; M132-W247 HydrophobicContact SD-CZ3 4.08Å
133F98.6Very high98Very high83 Ų8342.7 Ų42.736%0.36421%0.207SC..Hα-helixtrans-70.7-36.3-174.9-78.7-75.8000111.5F129 T130 W136 I137 P179F129-F133 AromaticContact CD1-CD2 3.82Å; F129-F133 HydrophobicContact CD1-CD2 3.82Å; F129-F133 HydrophobicContact CD1-CE2 4.27Å; F129-F133 AromaticContact CD2-CD2 3.96Å; F129-F133 HydrophobicContact CD2-CD2 3.96Å; F129-F133 AromaticContact CD2-CE2 3.61Å; F129-F133 HydrophobicContact CD2-CE2 3.61Å; F129-F133 AromaticContact CE1-CD2 3.6Å; F129-F133 HydrophobicContact CE1-CD2 3.6Å; F129-F133 AromaticContact CE1-CE2 3.93Å; F129-F133 HydrophobicContact CE1-CE2 3.93Å; F129-F133 HydrophobicContact CE1-CG 4.5Å; F129-F133 AromaticContact CE2-CD2 3.76Å; F129-F133 HydrophobicContact CE2-CD2 3.76Å; F129-F133 AromaticContact CE2-CE2 3.2Å; F129-F133 HydrophobicContact CE2-CE2 3.2Å; F129-F133 HydrophobicContact CE2-CZ 4.13Å; F129-F133 AromaticContact CG-CD2 4Å; F129-F133 HydrophobicContact CG-CD2 4Å; F129-F133 HydrophobicContact CG-CE2 4.13Å; F129-F133 AromaticContact CZ-CD2 3.56Å; F129-F133 HydrophobicContact CZ-CD2 3.56Å; F129-F133 AromaticContact CZ-CE2 3.37Å; F129-F133 HydrophobicContact CZ-CE2 3.37Å; F129-F133 HydrophobicContact CZ-CZ 4.24Å; F129-F133 VanDerWaalsContact O-CD2 3.28Å; F129-F133 WeakPolarHBondContact O-CD2 3.37Å; F129-F133 PolarHBondContact O-N 2.98Å; F129-F133 VanDerWaalsContact O-N 3.1Å; T130-F133 PolarHBondContact O-N 3.39Å; F133-W136 PolarHBondContact O-N 3.44Å; F133-I137 WeakPolarHBondContact O-CB 3.38Å; F133-I137 WeakPolarHBondContact O-CG1 3.29Å; F133-I137 PolarHBondContact O-N 3.23Å; F133-P179 HydrophobicContact CB-CB 3.78Å; F133-P179 HydrophobicContact CB-CG 3.54Å
134I98.4Very high98Very high1 Ų150.3 Ų50.31%0.00523%0.232CC..Hα-helixtrans-63.8-43.7174.7-66.6170.3000110.2T130 W136 I137 H138 Q176 P179 Y180 Q242T130-I134 VanDerWaalsContact O-CB 3.25Å; T130-I134 WeakPolarHBondContact O-CB 3.02Å; T130-I134 WeakPolarHBondContact O-CD1 3.45Å; T130-I134 WeakPolarHBondContact O-CG1 3.48Å; T130-I134 PolarHBondContact O-N 3.01Å; I134-W136 VanDerWaalsContact C-N 3.33Å; I134-W136 PolarHBondContact O-N 2.99Å; I134-I137 PolarHBondContact O-N 2.88Å; I134-H138 WeakPolarHBondContact O-CB 3.14Å; I134-H138 PolarHBondContact O-N 3.32Å; I134-Q176 WeakPolarHBondContact CG1-O 3.41Å; I134-P179 HydrophobicContact CG1-CB 4.23Å; I134-P179 HydrophobicContact CG1-CG 3.84Å; I134-Y180 HydrophobicContact CD1-CE1 3.6Å; I134-Y180 HydrophobicContact CD1-CE2 3.82Å; I134-Y180 WeakPolarHBondContact CD1-OH 3.28Å; I134-Q242 HydrophobicContact CB-CB 4.32Å; I134-Q242 HydrophobicContact CD1-CB 4.36Å; I134-Q242 HydrophobicContact CD1-CG 4.16Å; I134-Q242 HydrophobicContact CG2-CB 3.91Å; I134-Q242 HydrophobicContact CG2-CG 4.46Å
135Y98.7Very high98.1Very high0 Ų052.4 Ų52.40%024%0.244CC..Hα-helixtrans-52.5-50.2174.7169.3-94.9000112.1D131 M132 H138 R139 Y240 W247 D248 G251 S253D131-Y135 VanDerWaalsContact O-CB 3.27Å; D131-Y135 WeakPolarHBondContact O-CB 3.38Å; D131-Y135 PolarHBondContact O-N 3.22Å; M132-Y135 WeakPolarHBondContact O-CB 3.32Å; M132-Y135 PolarHBondContact O-N 3.42Å; Y135-H138 PolarHBondContact O-N 3.11Å; Y135-R139 VanDerWaalsContact O-CB 3.28Å; Y135-R139 WeakPolarHBondContact O-CB 3.49Å; Y135-R139 PolarHBondContact O-N 3.28Å; Y135-R139 PolarHBondContact OH-NH1 3.45Å; Y135-Y240 HydrophobicContact CE2-CD2 4.09Å; Y135-Y240 HydrophobicContact CE2-CG 4.46Å; Y135-W247 HydrophobicContact CD1-CB 3.66Å; Y135-W247 HydrophobicContact CD1-CG 4.44Å; Y135-W247 HydrophobicContact CD2-CB 3.65Å; Y135-W247 HydrophobicContact CE1-CB 4.17Å; Y135-W247 HydrophobicContact CE2-CB 4.15Å; Y135-W247 HydrophobicContact CG-CB 3.38Å; Y135-W247 HydrophobicContact CG-CG 4.26Å; Y135-W247 VanDerWaalsContact CZ-O 3.29Å; Y135-W247 PolarHBondContact OH-O 3.43Å; Y135-D248 HydrophobicContact CE2-CB 4.44Å; Y135-D248 WeakPolarHBondContact CE2-OD1 3.44Å; Y135-G251 WeakPolarHBondContact OH-CA 3.34Å; Y135-S253 WeakPolarHBondContact CE2-OG 3.44Å; Y135-S253 PolarHBondContact OH-OG 3.34Å
136W98.6Very high98.1Very high124 Ų12453 Ų5347%0.4725%0.245SC..Hα-helixtrans-69.7-38.2-178.4-72.4114.5000113M132 F133 I134 G140M132-W136 PolarHBondContact O-N 2.91Å; F133-W136 PolarHBondContact O-N 3.44Å; I134-W136 VanDerWaalsContact C-N 3.33Å; I134-W136 PolarHBondContact O-N 2.99Å; W136-G140 PolarHBondContact O-N 2.98Å
137I98.6Very high98Very high42 Ų4255.3 Ų55.322%0.21525%0.254CS..Hα-helixtrans-63.5-48.4174.7-71.5169.8000109.9F133 I134 G140 L141 L175 Q176 P179F133-I137 WeakPolarHBondContact O-CB 3.38Å; F133-I137 WeakPolarHBondContact O-CG1 3.29Å; F133-I137 PolarHBondContact O-N 3.23Å; I134-I137 PolarHBondContact O-N 2.88Å; I137-G140 CarbonylContact O-C 3.58Å; I137-G140 WeakPolarHBondContact O-CA 3.47Å; I137-G140 PolarHBondContact O-N 3.08Å; I137-L141 HydrophobicContact CG2-CD1 3.92Å; I137-L141 HydrophobicContact CG2-CG 4.45Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.43Å; I137-L141 PolarHBondContact O-N 2.99Å; I137-L175 VanDerWaalsContact CD1-O 3.3Å; I137-L175 WeakPolarHBondContact CD1-O 3.09Å; I137-L175 HydrophobicContact CG2-CB 3.83Å; I137-Q176 HydrophobicContact CG2-CG 4.22Å; I137-P179 HydrophobicContact CD1-CG 3.72Å
138H98.4Very high98Very high2 Ų260.7 Ų60.71%0.00928%0.276CS..Hα-helixtrans-62.3-49.6180-172.7-169.2000111.1I134 Y135 G140 L141 H142 H151 H232 Y240I134-H138 WeakPolarHBondContact O-CB 3.14Å; I134-H138 PolarHBondContact O-N 3.32Å; Y135-H138 PolarHBondContact O-N 3.11Å; H138-G140 VanDerWaalsContact C-N 3.27Å; H138-G140 PolarHBondContact O-N 3.36Å; H138-L141 WeakPolarHBondContact O-CB 3.25Å; H138-L141 PolarHBondContact O-N 2.7Å; H138-H142 AromaticContact CD2-CD2 3.69Å; H138-H142 AromaticContact CD2-NE2 3.73Å; H138-H142 AromaticContact NE2-CD2 3.82Å; H138-H142 AromaticContact NE2-NE2 3.37Å; H138-H142 PolarHBondContact NE2-NE2 3.45Å; H138-H142 PolarHBondContact O-CD2 3.31Å; H138-H142 VanDerWaalsContact O-CD2 3.29Å; H138-H142 PolarHBondContact O-N 3.37Å; H138-H151 AromaticContact CD2-CE1 3.63Å; H138-H151 AromaticContact CD2-NE2 3.31Å; H138-H151 PolarHBondContact CD2-NE2 2.96Å; H138-H151 VanDerWaalsContact CD2-NE2 3.31Å; H138-H151 AromaticContact NE2-CE1 3.56Å; H138-H151 AromaticContact NE2-NE2 3.06Å; H138-H151 PolarHBondContact NE2-NE2 3.49Å; H138-H232 AromaticContact CE1-CD2 3.68Å; H138-H232 AromaticContact CE1-CE1 3.76Å; H138-H232 AromaticContact CE1-NE2 3.25Å; H138-H232 PolarHBondContact CE1-NE2 2.91Å; H138-H232 VanDerWaalsContact CE1-NE2 3.25Å; H138-H232 AromaticContact NE2-CD2 3.83Å; H138-H232 AromaticContact NE2-CE1 3.62Å; H138-H232 AromaticContact NE2-NE2 2.99Å; H138-H232 PolarHBondContact NE2-NE2 3.28Å; H138-Y240 PolarHBondContact ND1-O 2.98Å
139R98.2Very high97.9Very high89 Ų8965.6 Ų65.634%0.33629%0.291SS..Hα-helixtrans-59.1-39.2173.5-171.4175.1-174.7174.63.7112.2Y135 L141 H142 Y240 G251Y135-R139 VanDerWaalsContact O-CB 3.28Å; Y135-R139 WeakPolarHBondContact O-CB 3.49Å; Y135-R139 PolarHBondContact O-N 3.28Å; Y135-R139 PolarHBondContact OH-NH1 3.45Å; R139-L141 VanDerWaalsContact C-N 3.34Å; R139-H142 PolarHBondContact O-N 3.46Å; R139-Y240 HydrophobicContact CB-CD1 4.37Å; R139-Y240 HydrophobicContact CB-CD2 4.21Å; R139-Y240 HydrophobicContact CB-CG 4.12Å; R139-Y240 HydrophobicContact CG-CD2 4.18Å; R139-Y240 HydrophobicContact CG-CE2 4.06Å; R139-G251 PolarHBondContact NH1-O 3.2Å; R139-G251 PolarHBondContact NH2-O 2.99Å
140G98.1Very high97.9Very high35 Ų3565.6 Ų65.636%0.36129%0.293SS..Hα-helixtrans-63.8-36.5174.100000113.2W136 I137 H138 H142 H143 V146W136-G140 PolarHBondContact O-N 2.98Å; I137-G140 CarbonylContact O-C 3.58Å; I137-G140 WeakPolarHBondContact O-CA 3.47Å; I137-G140 PolarHBondContact O-N 3.08Å; H138-G140 VanDerWaalsContact C-N 3.27Å; H138-G140 PolarHBondContact O-N 3.36Å; G140-H142 PolarHBondContact O-N 2.81Å; G140-H143 WeakPolarHBondContact O-CB 3.38Å; G140-H143 PolarHBondContact O-N 2.75Å; G140-V146 VanDerWaalsContact O-CG2 3.25Å; G140-V146 WeakPolarHBondContact O-CG2 3.49Å
141L98.1Very high97.8Very high5 Ų565.6 Ų65.63%0.02629%0.293CS..Hα-helixtrans-65.8-23.6174.9-76.6164.4000112.6I137 H138 R139 H143 Y147 L150 H151 D172 L175 Q176I137-L141 HydrophobicContact CG2-CD1 3.92Å; I137-L141 HydrophobicContact CG2-CG 4.45Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.43Å; I137-L141 PolarHBondContact O-N 2.99Å; H138-L141 WeakPolarHBondContact O-CB 3.25Å; H138-L141 PolarHBondContact O-N 2.7Å; R139-L141 VanDerWaalsContact C-N 3.34Å; L141-H143 VanDerWaalsContact C-N 3.31Å; L141-Y147 WeakPolarHBondContact O-CA 3.38Å; L141-Y147 WeakPolarHBondContact O-CB 3.11Å; L141-Y147 PolarHBondContact O-N 2.99Å; L141-L150 HydrophobicContact CD2-CB 3.93Å; L141-L150 HydrophobicContact CD2-CD1 3.98Å; L141-H151 HydrophobicContact CB-CB 3.98Å; L141-D172 WeakPolarHBondContact CD1-OD1 3.33Å; L141-D172 HydrophobicContact CD2-CB 4.45Å; L141-L175 HydrophobicContact CD2-CD1 4.24Å; L141-Q176 HydrophobicContact CD1-CG 3.75Å
142H97.9Very high97.8Very high27 Ų2770.4 Ų70.413%0.12531%0.314CS..THydrogen-bonded Turntrans-81.2-6169.7-77.7-87.6000114.3H138 R139 G140 R144 Y147 H151 H155 H232 Y240H138-H142 AromaticContact CD2-CD2 3.69Å; H138-H142 AromaticContact CD2-NE2 3.73Å; H138-H142 AromaticContact NE2-CD2 3.82Å; H138-H142 AromaticContact NE2-NE2 3.37Å; H138-H142 PolarHBondContact NE2-NE2 3.45Å; H138-H142 PolarHBondContact O-CD2 3.31Å; H138-H142 VanDerWaalsContact O-CD2 3.29Å; H138-H142 PolarHBondContact O-N 3.37Å; R139-H142 PolarHBondContact O-N 3.46Å; G140-H142 PolarHBondContact O-N 2.81Å; H142-R144 PolarHBondContact O-N 3.3Å; H142-Y147 AromaticContact CE1-CE2 3.91Å; H142-Y147 AromaticContact ND1-CD2 3.66Å; H142-Y147 AromaticContact ND1-CE2 3.57Å; H142-H151 AromaticContact CD2-CD2 3.49Å; H142-H151 PolarHBondContact CD2-CD2 3.44Å; H142-H151 VanDerWaalsContact CD2-CD2 3.49Å; H142-H151 AromaticContact CD2-NE2 3.7Å; H142-H151 AromaticContact CE1-CD2 3.52Å; H142-H151 AromaticContact CE1-NE2 3.8Å; H142-H151 AromaticContact NE2-CD2 3.09Å; H142-H151 PolarHBondContact NE2-CD2 3.12Å; H142-H151 AromaticContact NE2-NE2 3.06Å; H142-H151 PolarHBondContact NE2-NE2 2.92Å; H142-H155 AromaticContact CE1-CD2 3.7Å; H142-H155 AromaticContact CE1-CE1 3.56Å; H142-H155 AromaticContact CE1-NE2 3.17Å; H142-H155 PolarHBondContact CE1-NE2 3.32Å; H142-H155 AromaticContact NE2-CE1 3.92Å; H142-H155 AromaticContact NE2-NE2 3.27Å; H142-H155 PolarHBondContact NE2-NE2 3.44Å; H142-H232 AromaticContact CD2-CE1 3.84Å; H142-H232 AromaticContact CE1-CE1 3.42Å; H142-H232 PolarHBondContact CE1-CE1 3.14Å; H142-H232 VanDerWaalsContact CE1-CE1 3.42Å; H142-H232 AromaticContact CE1-NE2 3.52Å; H142-H232 AromaticContact NE2-CE1 2.99Å; H142-H232 PolarHBondContact NE2-CE1 2.75Å; H142-H232 AromaticContact NE2-NE2 2.99Å; H142-H232 PolarHBondContact NE2-NE2 3.03Å; H142-Y240 HydrophobicContact CB-CE1 3.97Å; H142-Y240 AromaticContact CD2-CD1 3.66Å; H142-Y240 AromaticContact CD2-CE1 3.32Å; H142-Y240 WeakPolarHBondContact CD2-CE1 3.34Å; H142-Y240 AromaticContact CG-CE1 3.63Å; H142-Y240 AromaticContact NE2-CE1 3.83Å
143H97.6Very high97.7Very high91 Ų9169.7 Ų69.742%0.42131%0.313SS..SBendtrans-64.5137.2174.9-171.6-105.1000111.3G140 L141 L145 V146 Y147G140-H143 WeakPolarHBondContact O-CB 3.38Å; G140-H143 PolarHBondContact O-N 2.75Å; L141-H143 VanDerWaalsContact C-N 3.31Å; H143-L145 PolarHBondContact O-N 2.93Å; H143-V146 HydrophobicContact CB-CG2 4.42Å; H143-V146 PolarHBondContact O-N 3.13Å; H143-Y147 PolarHBondContact O-N 3.39Å
144R95.8Very high97.7Very high215 Ų21565.8 Ų65.881%0.81130%0.296SS*.THydrogen-bonded Turntrans-48.7-29.8-174.364.6-177.5177.1178.7-0.3115.6H142H142-R144 PolarHBondContact O-N 3.3Å
145L97.3Very high97.6Very high125 Ų12566 Ų6665%0.65430%0.297SS*.THydrogen-bonded Turntrans-73-29.5-177.9-63.5178.6000113.1H143H143-L145 PolarHBondContact O-N 2.93Å
146V97.6Very high97.5Very high51 Ų5168.6 Ų68.631%0.30931%0.313SS..THydrogen-bonded Turntrans-118.3-30-171.8-63.70000113.1G140 H143 K148 R149 L150G140-V146 VanDerWaalsContact O-CG2 3.25Å; G140-V146 WeakPolarHBondContact O-CG2 3.49Å; H143-V146 HydrophobicContact CB-CG2 4.42Å; H143-V146 PolarHBondContact O-N 3.13Å; V146-K148 PolarHBondContact O-N 3.42Å; V146-R149 PolarHBondContact O-N 3.12Å; V146-L150 HydrophobicContact CB-CD1 4.11Å; V146-L150 HydrophobicContact CB-CG 4.45Å; V146-L150 PolarHBondContact O-N 2.86Å
147Y97.4Very high97.4Very high50 Ų5063.1 Ų63.120%0.19629%0.292CS..Hα-helixtrans-47.6-53.6-175173.2-102.6000113.4L141 H142 H143 R149 L150 H151 K152 H155L141-Y147 WeakPolarHBondContact O-CA 3.38Å; L141-Y147 WeakPolarHBondContact O-CB 3.11Å; L141-Y147 PolarHBondContact O-N 2.99Å; H142-Y147 AromaticContact CE1-CE2 3.91Å; H142-Y147 AromaticContact ND1-CD2 3.66Å; H142-Y147 AromaticContact ND1-CE2 3.57Å; H143-Y147 PolarHBondContact O-N 3.39Å; Y147-R149 PolarHBondContact O-N 2.91Å; Y147-L150 PolarHBondContact O-N 3.5Å; Y147-H151 HydrophobicContact CD2-CB 4.12Å; Y147-H151 PolarHBondContact O-N 3.5Å; Y147-K152 HydrophobicContact CD1-CB 4.17Å; Y147-K152 HydrophobicContact CE1-CB 3.81Å; Y147-K152 HydrophobicContact CE1-CD 4.19Å; Y147-K152 HydrophobicContact CE1-CG 3.99Å; Y147-K152 HydrophobicContact CE2-CB 4.4Å; Y147-K152 VanDerWaalsContact O-CB 3.32Å; Y147-K152 WeakPolarHBondContact O-CB 3.5Å; Y147-K152 PolarHBondContact O-N 2.77Å; Y147-H155 HydrophobicContact CE2-CB 4.39Å
148K97.3Very high97.3Very high162 Ų16264.4 Ų64.470%0.70430%0.296SS*.Hα-helixtrans-56.8-31.9-175.6-175.3178.2177.1-178.10113V146 K152V146-K148 PolarHBondContact O-N 3.42Å; K148-K152 HydrophobicContact CG-CD 4.46Å
149R96.9Very high97.3Very high196 Ų19664.3 Ų64.374%0.7430%0.295SS*.Hα-helixtrans-94.3-44.1-175-65.2-179.4-176.8154.20.1112.3V146 Y147V146-R149 PolarHBondContact O-N 3.12Å; Y147-R149 PolarHBondContact O-N 2.91Å
150L97.3Very high97.2Very high29 Ų2960.2 Ų60.215%0.15228%0.28CS..Hα-helixtrans-95.3-51.2-169.8-58.4-172.2000112L141 V146 Y147 P153 H169 V171 D172L141-L150 HydrophobicContact CD2-CB 3.93Å; L141-L150 HydrophobicContact CD2-CD1 3.98Å; V146-L150 HydrophobicContact CB-CD1 4.11Å; V146-L150 HydrophobicContact CB-CG 4.45Å; V146-L150 PolarHBondContact O-N 2.86Å; Y147-L150 PolarHBondContact O-N 3.5Å; L150-P153 WeakPolarHBondContact O-CD 3.47Å; L150-H169 WeakPolarHBondContact O-CB 3.35Å; L150-V171 HydrophobicContact CD1-CG1 4.19Å; L150-V171 HydrophobicContact CD2-CB 4.16Å; L150-V171 HydrophobicContact CD2-CG1 4.35Å; L150-D172 HydrophobicContact CB-CB 4.35Å
151H97.6Very high97.2Very high0 Ų058.5 Ų58.50%026%0.263CS..THydrogen-bonded Turntrans-106.3-25.8-164.3-159.555.9000114.4H138 L141 H142 Y147 P153 H154 H155 D172H138-H151 AromaticContact CD2-CE1 3.63Å; H138-H151 AromaticContact CD2-NE2 3.31Å; H138-H151 PolarHBondContact CD2-NE2 2.96Å; H138-H151 VanDerWaalsContact CD2-NE2 3.31Å; H138-H151 AromaticContact NE2-CE1 3.56Å; H138-H151 AromaticContact NE2-NE2 3.06Å; H138-H151 PolarHBondContact NE2-NE2 3.49Å; L141-H151 HydrophobicContact CB-CB 3.98Å; H142-H151 AromaticContact CD2-CD2 3.49Å; H142-H151 PolarHBondContact CD2-CD2 3.44Å; H142-H151 VanDerWaalsContact CD2-CD2 3.49Å; H142-H151 AromaticContact CD2-NE2 3.7Å; H142-H151 AromaticContact CE1-CD2 3.52Å; H142-H151 AromaticContact CE1-NE2 3.8Å; H142-H151 AromaticContact NE2-CD2 3.09Å; H142-H151 PolarHBondContact NE2-CD2 3.12Å; H142-H151 AromaticContact NE2-NE2 3.06Å; H142-H151 PolarHBondContact NE2-NE2 2.92Å; Y147-H151 HydrophobicContact CD2-CB 4.12Å; Y147-H151 PolarHBondContact O-N 3.5Å; H151-P153 VanDerWaalsContact C-N 3.31Å; H151-H154 AromaticContact CE1-CD2 3.81Å; H151-H154 WeakPolarHBondContact O-CB 3.03Å; H151-H154 PolarHBondContact O-N 3.15Å; H151-H155 AromaticContact CD2-CD2 3.16Å; H151-H155 PolarHBondContact CD2-CD2 3.07Å; H151-H155 AromaticContact CD2-NE2 3.3Å; H151-H155 PolarHBondContact CD2-NE2 2.63Å; H151-H155 VanDerWaalsContact CD2-NE2 3.3Å; H151-H155 AromaticContact CE1-CD2 3.95Å; H151-H155 AromaticContact CE1-NE2 3.83Å; H151-H155 AromaticContact CG-CD2 3.9Å; H151-H155 AromaticContact NE2-CD2 3.18Å; H151-H155 PolarHBondContact NE2-CD2 3.35Å; H151-H155 AromaticContact NE2-NE2 2.88Å; H151-H155 PolarHBondContact NE2-NE2 3.29Å; H151-H155 PolarHBondContact O-CD2 3.27Å; H151-H155 PolarHBondContact O-N 3.29Å; H151-H155 VanDerWaalsContact O-N 3.15Å; H151-D172 WeakPolarHBondContact CA-OD2 3.16Å; H151-D172 IonicContact CE1-OD2 2.7Å; H151-D172 IonicContact CG-OD2 3.65Å; H151-D172 IonicContact ND1-OD1 3.46Å; H151-D172 PolarHBondContact ND1-OD1 2.96Å; H151-D172 IonicContact ND1-OD2 2.76Å; H151-D172 PolarHBondContact ND1-OD2 3.06Å
152K96.9Very high97.2Very high102 Ų10258.3 Ų58.344%0.44326%0.262SS..THydrogen-bonded Turntrans-53-38172.7-173.7176.9-178.4178.80114.1Y147 K148 H154 H155 T156Y147-K152 HydrophobicContact CD1-CB 4.17Å; Y147-K152 HydrophobicContact CE1-CB 3.81Å; Y147-K152 HydrophobicContact CE1-CD 4.19Å; Y147-K152 HydrophobicContact CE1-CG 3.99Å; Y147-K152 HydrophobicContact CE2-CB 4.4Å; Y147-K152 VanDerWaalsContact O-CB 3.32Å; Y147-K152 WeakPolarHBondContact O-CB 3.5Å; Y147-K152 PolarHBondContact O-N 2.77Å; K148-K152 HydrophobicContact CG-CD 4.46Å; K152-H154 VanDerWaalsContact C-N 3.29Å; K152-H154 PolarHBondContact O-N 2.91Å; K152-H155 CarbonylContact O-C 3.47Å; K152-H155 PolarHBondContact O-N 2.95Å; K152-T156 PolarHBondContact O-N 3.39Å; K152-T156 VanDerWaalsContact O-N 3.09Å; K152-T156 PolarHBondContact O-OG1 2.98Å; K152-T156 VanDerWaalsContact O-OG1 3.12Å
153P96.8Very high97.3Very high34 Ų3457.6 Ų57.622%0.22126%0.258CS..THydrogen-bonded Turntrans-57-41175.2-27.136.7000113.3F79 L150 H151 T156F79-P153 HydrophobicContact CE1-CB 3.68Å; F79-P153 HydrophobicContact CZ-CB 3.69Å; L150-P153 WeakPolarHBondContact O-CD 3.47Å; H151-P153 VanDerWaalsContact C-N 3.31Å; P153-T156 VanDerWaalsContact O-CB 3.3Å; P153-T156 WeakPolarHBondContact O-CB 3.16Å; P153-T156 PolarHBondContact O-N 3.43Å; P153-T156 PolarHBondContact O-OG1 2.8Å
154H97.6Very high97.3Very high2 Ų253.2 Ų53.21%0.00924%0.238CC..G310 helixtrans-66.4-45175.2177.964.9000111.3H151 K152 T156 W157 F168 H209 H233H151-H154 AromaticContact CE1-CD2 3.81Å; H151-H154 WeakPolarHBondContact O-CB 3.03Å; H151-H154 PolarHBondContact O-N 3.15Å; K152-H154 VanDerWaalsContact C-N 3.29Å; K152-H154 PolarHBondContact O-N 2.91Å; H154-T156 PolarHBondContact O-N 2.95Å; H154-W157 PolarHBondContact O-N 3.18Å; H154-F168 HydrophobicContact CB-CD1 3.7Å; H154-F168 HydrophobicContact CB-CE1 4.2Å; H154-F168 AromaticContact CD2-CD1 3.96Å; H154-F168 AromaticContact CD2-CE1 3.55Å; H154-F168 AromaticContact CE1-CD1 3.91Å; H154-F168 AromaticContact CE1-CE1 3.2Å; H154-F168 WeakPolarHBondContact CE1-CE1 3.41Å; H154-F168 AromaticContact CE1-CZ 3.74Å; H154-F168 AromaticContact CG-CD1 3.42Å; H154-F168 VanDerWaalsContact CG-CD1 3.42Å; H154-F168 AromaticContact CG-CE1 3.41Å; H154-F168 VanDerWaalsContact CG-CE1 3.41Å; H154-F168 AromaticContact ND1-CD1 3.41Å; H154-F168 WeakPolarHBondContact ND1-CD1 3.5Å; H154-F168 AromaticContact ND1-CE1 3.21Å; H154-F168 WeakPolarHBondContact ND1-CE1 3.23Å; H154-F168 AromaticContact NE2-CE1 3.41Å; H154-F168 WeakPolarHBondContact NE2-CE1 3.39Å; H154-H209 AromaticContact CE1-NE2 3.28Å; H154-H209 PolarHBondContact CE1-NE2 3.39Å; H154-H209 VanDerWaalsContact CE1-NE2 3.28Å; H154-H209 AromaticContact NE2-NE2 3.54Å; H154-H233 AromaticContact CD2-CE1 3.48Å; H154-H233 PolarHBondContact CD2-CE1 3.48Å; H154-H233 VanDerWaalsContact CD2-CE1 3.48Å; H154-H233 AromaticContact CD2-NE2 3.98Å; H154-H233 AromaticContact CE1-CE1 3.62Å; H154-H233 AromaticContact CE1-NE2 3.87Å; H154-H233 AromaticContact NE2-CE1 3.12Å; H154-H233 PolarHBondContact NE2-CE1 3.08Å; H154-H233 AromaticContact NE2-NE2 3.25Å; H154-H233 PolarHBondContact NE2-NE2 2.82Å
155H97.4Very high97.3Very high6 Ų643 Ų433%0.02820%0.199CC..G310 helixtrans-68.32.8175.6-84.8-77.5000115.7H142 Y147 H151 K152 W157 H232 H233 F236H142-H155 AromaticContact CE1-CD2 3.7Å; H142-H155 AromaticContact CE1-CE1 3.56Å; H142-H155 AromaticContact CE1-NE2 3.17Å; H142-H155 PolarHBondContact CE1-NE2 3.32Å; H142-H155 AromaticContact NE2-CE1 3.92Å; H142-H155 AromaticContact NE2-NE2 3.27Å; H142-H155 PolarHBondContact NE2-NE2 3.44Å; Y147-H155 HydrophobicContact CE2-CB 4.39Å; H151-H155 AromaticContact CD2-CD2 3.16Å; H151-H155 PolarHBondContact CD2-CD2 3.07Å; H151-H155 AromaticContact CD2-NE2 3.3Å; H151-H155 PolarHBondContact CD2-NE2 2.63Å; H151-H155 VanDerWaalsContact CD2-NE2 3.3Å; H151-H155 AromaticContact CE1-CD2 3.95Å; H151-H155 AromaticContact CE1-NE2 3.83Å; H151-H155 AromaticContact CG-CD2 3.9Å; H151-H155 AromaticContact NE2-CD2 3.18Å; H151-H155 PolarHBondContact NE2-CD2 3.35Å; H151-H155 AromaticContact NE2-NE2 2.88Å; H151-H155 PolarHBondContact NE2-NE2 3.29Å; H151-H155 PolarHBondContact O-CD2 3.27Å; H151-H155 PolarHBondContact O-N 3.29Å; H151-H155 VanDerWaalsContact O-N 3.15Å; K152-H155 CarbonylContact O-C 3.47Å; K152-H155 PolarHBondContact O-N 2.95Å; H155-W157 PolarHBondContact O-N 3.43Å; H155-H232 AromaticContact CE1-CD2 3.42Å; H155-H232 PolarHBondContact CE1-CD2 3.1Å; H155-H232 VanDerWaalsContact CE1-CD2 3.42Å; H155-H232 AromaticContact CE1-CE1 3.95Å; H155-H232 AromaticContact CE1-NE2 3.08Å; H155-H232 PolarHBondContact CE1-NE2 3.09Å; H155-H232 AromaticContact NE2-CD2 3.83Å; H155-H232 AromaticContact NE2-NE2 3.15Å; H155-H232 PolarHBondContact NE2-NE2 2.89Å; H155-H232 VanDerWaalsContact NE2-NE2 3.15Å; H155-H233 AromaticContact ND1-ND1 3.93Å; H155-F236 HydrophobicContact CB-CD1 4.23Å; H155-F236 HydrophobicContact CB-CE1 3.87Å; H155-F236 AromaticContact CG-CD1 3.87Å; H155-F236 AromaticContact CG-CE1 3.92Å; H155-F236 AromaticContact ND1-CD1 3.3Å; H155-F236 VanDerWaalsContact ND1-CD1 3.3Å; H155-F236 WeakPolarHBondContact ND1-CD1 3.45Å; H155-F236 AromaticContact ND1-CE1 3.43Å; H155-F236 WeakPolarHBondContact ND1-CE1 3.48Å
156T96.4Very high97.3Very high54 Ų5438.1 Ų38.133%0.33117%0.173SC..G310 helixtrans-69.9-23.9170.2-60.40000110.9L69 K152 P153 H154 K158L69-T156 HydrophobicContact CD1-CG2 3.85Å; L69-T156 WeakPolarHBondContact CD1-O 3.41Å; K152-T156 PolarHBondContact O-N 3.39Å; K152-T156 VanDerWaalsContact O-N 3.09Å; K152-T156 PolarHBondContact O-OG1 2.98Å; K152-T156 VanDerWaalsContact O-OG1 3.12Å; P153-T156 VanDerWaalsContact O-CB 3.3Å; P153-T156 WeakPolarHBondContact O-CB 3.16Å; P153-T156 PolarHBondContact O-N 3.43Å; P153-T156 PolarHBondContact O-OG1 2.8Å; H154-T156 PolarHBondContact O-N 2.95Å; T156-K158 PolarHBondContact O-N 2.9Å
157W96.6Very high97.2Very high9 Ų935.7 Ų35.73%0.03416%0.158CC..  trans-91.869.5-179.6-40.5121.9000111.5L69 Q72 R75 E76 H154 H155 I159 P160 A164 H233L69-W157 HydrophobicContact CD1-CE3 3.92Å; L69-W157 HydrophobicContact CD1-CZ3 3.83Å; Q72-W157 HydrophobicContact CG-CD2 4.46Å; Q72-W157 HydrophobicContact CG-CE3 3.64Å; Q72-W157 HydrophobicContact CG-CZ3 4Å; R75-W157 HydrophobicContact CB-CH2 3.51Å; R75-W157 HydrophobicContact CB-CZ2 4.3Å; R75-W157 HydrophobicContact CB-CZ3 4.11Å; E76-W157 HydrophobicContact CG-CD2 3.77Å; E76-W157 HydrophobicContact CG-CE3 4.18Å; E76-W157 HydrophobicContact CG-CG 4.07Å; E76-W157 HydrophobicContact CG-CZ2 4.27Å; H154-W157 PolarHBondContact O-N 3.18Å; H155-W157 PolarHBondContact O-N 3.43Å; W157-I159 PolarHBondContact O-N 3.49Å; W157-P160 HydrophobicContact CB-CB 4.49Å; W157-P160 WeakPolarHBondContact O-CD 3.33Å; W157-A164 HydrophobicContact CB-CB 4.29Å; W157-A164 HydrophobicContact CG-CB 4.28Å; W157-H233 PolarHBondContact O-ND1 3.31Å
158K96.7Very high97Very high68 Ų6834 Ų3430%0.29615%0.152SC..SBendtrans-55-37.7-176.7-69-169.5176-166.80114.6Q67 T156 P160 M234Q67-K158 HydrophobicContact CB-CB 4.3Å; Q67-K158 HydrophobicContact CB-CD 4.29Å; Q67-K158 HydrophobicContact CG-CD 4.41Å; T156-K158 PolarHBondContact O-N 2.9Å; K158-P160 WeakPolarHBondContact O-CD 3.27Å; K158-M234 HydrophobicContact CB-SD 3.9Å
159I97.1Very high97Very high1 Ų129.2 Ų29.21%0.00513%0.132CC..SBendtrans-110.984.6171.1-55.1-59.1000106.1L62 H65 Q67 F68 Q72 W157 M234 P265L62-I159 HydrophobicContact CB-CG2 3.84Å; L62-I159 HydrophobicContact CD2-CG2 4.19Å; L62-I159 HydrophobicContact CG-CG2 4.43Å; H65-I159 HydrophobicContact CB-CG1 4.09Å; H65-I159 WeakPolarHBondContact ND1-CG1 3.34Å; Q67-I159 HydrophobicContact CB-CG1 4.37Å; F68-I159 HydrophobicContact CD2-CB 4.23Å; F68-I159 HydrophobicContact CD2-CG2 4.13Å; Q72-I159 PolarHBondContact NE2-O 3.35Å; W157-I159 PolarHBondContact O-N 3.49Å; I159-M234 HydrophobicContact CD1-CE 4.36Å; I159-M234 HydrophobicContact CD1-CG 4.42Å; I159-M234 HydrophobicContact CD1-SD 3.63Å; I159-P265 HydrophobicContact CD1-CB 3.76Å; I159-P265 HydrophobicContact CD1-CG 3.81Å
160P97.1Very high97.1Very high2 Ų221 Ų211%0.01310%0.104CC..  trans-68.5159.5-172.928.7-34.8000111.5W157 K158 A164 H209W157-P160 HydrophobicContact CB-CB 4.49Å; W157-P160 WeakPolarHBondContact O-CD 3.33Å; K158-P160 WeakPolarHBondContact O-CD 3.27Å; P160-A164 HydrophobicContact CB-CB 3.71Å; P160-H209 HydrophobicContact CB-CB 4.3Å
161T98.3Very high97.1Very high0 Ų021.9 Ų21.90%011%0.111CC..  trans-110170.3161.686.60000109.8F58 F68 V73 E76 F163 A164 H209F58-T161 HydrophobicContact CE1-CG2 4.34Å; F58-T161 HydrophobicContact CE2-CG2 4.03Å; F58-T161 HydrophobicContact CZ-CG2 3.74Å; F68-T161 HydrophobicContact CE2-CG2 3.62Å; F68-T161 HydrophobicContact CZ-CG2 3.9Å; V73-T161 HydrophobicContact CG2-CG2 3.93Å; E76-T161 PolarHBondContact OE1-N 3.05Å; E76-T161 PolarHBondContact OE2-OG1 3.49Å; T161-F163 PolarHBondContact O-N 3.33Å; T161-F163 PolarHBondContact OG1-N 2.87Å; T161-A164 WeakPolarHBondContact O-CB 3.41Å; T161-A164 PolarHBondContact O-N 3.48Å; T161-H209 CarbonylContact C-O 3.53Å; T161-H209 WeakPolarHBondContact CA-O 3.39Å; T161-H209 WeakPolarHBondContact O-CB 3.46Å
162P98.4Very high97.1Very high0 Ų021.9 Ų21.90%011%0.111CC..G310 helixtrans-51.1-28.6173.3-29.936.5000113.9A50 S53 F58 A164 S165 I206 D210A50-P162 HydrophobicContact CB-CB 4.28Å; S53-P162 WeakPolarHBondContact OG-CG 3.19Å; F58-P162 HydrophobicContact CB-CG 4.07Å; F58-P162 VanDerWaalsContact CD2-CD 3.5Å; F58-P162 HydrophobicContact CD2-CG 4.3Å; F58-P162 HydrophobicContact CG-CG 4.44Å; P162-A164 VanDerWaalsContact C-N 3.3Å; P162-A164 PolarHBondContact O-N 3.07Å; P162-S165 VanDerWaalsContact O-CB 3.24Å; P162-S165 WeakPolarHBondContact O-CB 3.39Å; P162-S165 PolarHBondContact O-N 3.49Å; P162-S165 PolarHBondContact O-OG 2.87Å; P162-I206 HydrophobicContact CB-CG2 3.85Å; P162-D210 HydrophobicContact CG-CB 3.84Å
163F98.6Very high97.1Very high12 Ų1217.5 Ų17.55%0.0539%0.094CC..G310 helixtrans-74-16.8177-64.8-69.1000113.7Y46 A50 Y54 V73 E76 I77 T80 T161 S165Y46-F163 HydrophobicContact CE1-CD1 4.35Å; Y46-F163 HydrophobicContact CE2-CD1 4.46Å; Y46-F163 AromaticContact CZ-CD1 3.87Å; Y46-F163 WeakPolarHBondContact OH-CA 3.33Å; Y46-F163 WeakPolarHBondContact OH-CB 3.25Å; Y46-F163 WeakPolarHBondContact OH-CD1 3.4Å; Y46-F163 PolarHBondContact OH-O 3.36Å; A50-F163 HydrophobicContact CB-CD1 3.62Å; A50-F163 HydrophobicContact CB-CE1 3.69Å; A50-F163 HydrophobicContact CB-CG 4.35Å; A50-F163 HydrophobicContact CB-CZ 4.47Å; Y54-F163 HydrophobicContact CD1-CE2 4.07Å; Y54-F163 HydrophobicContact CD2-CD2 4.05Å; Y54-F163 AromaticContact CD2-CE2 3.84Å; Y54-F163 HydrophobicContact CD2-CE2 3.84Å; Y54-F163 HydrophobicContact CG-CD2 4.24Å; Y54-F163 AromaticContact CG-CE2 3.57Å; Y54-F163 HydrophobicContact CG-CE2 3.57Å; Y54-F163 HydrophobicContact CG-CZ 4.48Å; V73-F163 HydrophobicContact CG1-CD2 3.63Å; V73-F163 HydrophobicContact CG1-CE2 3.99Å; V73-F163 HydrophobicContact CG1-CG 4.37Å; E76-F163 HydrophobicContact CB-CB 4.08Å; I77-F163 HydrophobicContact CD1-CD1 3.95Å; I77-F163 HydrophobicContact CD1-CD2 4.34Å; I77-F163 HydrophobicContact CD1-CE1 4.09Å; I77-F163 HydrophobicContact CD1-CE2 4.45Å; I77-F163 HydrophobicContact CD1-CG 4.07Å; I77-F163 HydrophobicContact CD1-CZ 4.33Å; I77-F163 HydrophobicContact CG1-CB 3.91Å; I77-F163 HydrophobicContact CG1-CD1 3.61Å; I77-F163 HydrophobicContact CG1-CD2 4.46Å; I77-F163 HydrophobicContact CG1-CE1 4.21Å; I77-F163 HydrophobicContact CG1-CG 3.75Å; T80-F163 PolarHBondContact OG1-O 3.42Å; T161-F163 PolarHBondContact O-N 3.33Å; T161-F163 PolarHBondContact OG1-N 2.87Å; F163-S165 PolarHBondContact O-N 2.85Å
164A97.9Very high97.2Very high0 Ų017.6 Ų17.60%09%0.091CC..G310 helixtrans-71.7-18.8173.200000113.1E76 W157 P160 T161 P162 H166 A167E76-A164 HydrophobicContact CG-CB 4.03Å; W157-A164 HydrophobicContact CB-CB 4.29Å; W157-A164 HydrophobicContact CG-CB 4.28Å; P160-A164 HydrophobicContact CB-CB 3.71Å; T161-A164 WeakPolarHBondContact O-CB 3.41Å; T161-A164 PolarHBondContact O-N 3.48Å; P162-A164 VanDerWaalsContact C-N 3.3Å; P162-A164 PolarHBondContact O-N 3.07Å; A164-H166 PolarHBondContact O-N 3.46Å; A164-A167 WeakPolarHBondContact O-CB 3.35Å; A164-A167 PolarHBondContact O-N 2.82Å
165S96.4Very high97.2Very high0 Ų020.1 Ų20.10%010%0.104CC..G310 helixtrans-54.6-24.6-172.259.30000115.5P162 F163 F168 T205 I206P162-S165 VanDerWaalsContact O-CB 3.24Å; P162-S165 WeakPolarHBondContact O-CB 3.39Å; P162-S165 PolarHBondContact O-N 3.49Å; P162-S165 PolarHBondContact O-OG 2.87Å; F163-S165 PolarHBondContact O-N 2.85Å; S165-F168 WeakPolarHBondContact O-CE2 3.46Å; S165-F168 WeakPolarHBondContact O-CZ 3.33Å; S165-T205 WeakPolarHBondContact CB-O 3.31Å; S165-T205 WeakPolarHBondContact O-CG2 3.49Å; S165-I206 WeakPolarHBondContact OG-CG1 3.39Å
166H96.7Very high97.2Very high22 Ų2220.9 Ų20.910%0.10211%0.108CC..G310 helixtrans-125.611.4179.4-67.276.7000112.6Y46 T80 A164 F168 N202Y46-H166 HydrophobicContact CD2-CB 4.2Å; Y46-H166 AromaticContact CD2-ND1 3.79Å; Y46-H166 HydrophobicContact CE2-CB 4.22Å; T80-H166 HydrophobicContact CG2-CB 3.5Å; T80-H166 VanDerWaalsContact CG2-CB 3.5Å; T80-H166 PolarHBondContact OG1-O 2.99Å; A164-H166 PolarHBondContact O-N 3.46Å; H166-F168 VanDerWaalsContact CA-CE2 3.5Å; H166-F168 PolarHBondContact O-N 3.44Å; H166-N202 PolarHBondContact NE2-OD1 2.83Å
167A97Very high97.2Very high0 Ų019.3 Ų19.30%010%0.099CC..  trans-82.962.2-179.300000110.3E76 F79 T80 A164E76-A167 HydrophobicContact CB-CB 4.49Å; F79-A167 HydrophobicContact CB-CB 4.22Å; F79-A167 VanDerWaalsContact CD1-C 3.43Å; F79-A167 HydrophobicContact CD1-CB 3.99Å; F79-A167 VanDerWaalsContact CD1-O 3.29Å; F79-A167 WeakPolarHBondContact CD1-O 3.38Å; F79-A167 WeakPolarHBondContact CE1-O 3.48Å; T80-A167 WeakPolarHBondContact OG1-CA 3.34Å; T80-A167 PolarHBondContact OG1-N 2.93Å; A164-A167 WeakPolarHBondContact O-CB 3.35Å; A164-A167 PolarHBondContact O-N 2.82Å
168F92.4Very high97.3Very high16 Ų1621 Ų217%0.0711%0.109CC..SBendtrans-107.5164.5-177.9-53.9-75000112.7A83 H154 S165 H166 D172A83-F168 WeakPolarHBondContact CB-O 3.47Å; H154-F168 HydrophobicContact CB-CD1 3.7Å; H154-F168 HydrophobicContact CB-CE1 4.2Å; H154-F168 AromaticContact CD2-CD1 3.96Å; H154-F168 AromaticContact CD2-CE1 3.55Å; H154-F168 AromaticContact CE1-CD1 3.91Å; H154-F168 AromaticContact CE1-CE1 3.2Å; H154-F168 WeakPolarHBondContact CE1-CE1 3.41Å; H154-F168 AromaticContact CE1-CZ 3.74Å; H154-F168 AromaticContact CG-CD1 3.42Å; H154-F168 VanDerWaalsContact CG-CD1 3.42Å; H154-F168 AromaticContact CG-CE1 3.41Å; H154-F168 VanDerWaalsContact CG-CE1 3.41Å; H154-F168 AromaticContact ND1-CD1 3.41Å; H154-F168 WeakPolarHBondContact ND1-CD1 3.5Å; H154-F168 AromaticContact ND1-CE1 3.21Å; H154-F168 WeakPolarHBondContact ND1-CE1 3.23Å; H154-F168 AromaticContact NE2-CE1 3.41Å; H154-F168 WeakPolarHBondContact NE2-CE1 3.39Å; S165-F168 WeakPolarHBondContact O-CE2 3.46Å; S165-F168 WeakPolarHBondContact O-CZ 3.33Å; H166-F168 VanDerWaalsContact CA-CE2 3.5Å; H166-F168 PolarHBondContact O-N 3.44Å; F168-D172 HydrophobicContact CB-CB 4.28Å
169H97.9Very high97.4Very high60 Ų6018 Ų1828%0.27810%0.096SC..  trans-62.5141.2154.4-175.5-82000109.2L150 V171 D172 G173L150-H169 WeakPolarHBondContact O-CB 3.35Å; H169-V171 VanDerWaalsContact C-N 3.33Å; H169-V171 PolarHBondContact ND1-N 2.94Å; H169-V171 VanDerWaalsContact ND1-N 3.17Å; H169-V171 PolarHBondContact O-N 2.69Å; H169-D172 HydrophobicContact CB-CB 4.02Å; H169-D172 WeakPolarHBondContact O-CA 3.46Å; H169-D172 VanDerWaalsContact O-CB 3.26Å; H169-D172 WeakPolarHBondContact O-CB 3.19Å; H169-D172 PolarHBondContact O-N 3.3Å; H169-G173 PolarHBondContact O-N 3.02Å
170P97.9Very high97.4Very high24 Ų2418.7 Ų18.716%0.15610%0.099CC..Hα-helixtrans-57.2-40.9-175.8-29.235.6000114.8A83 V86 I87 D172 G173 F174A83-P170 HydrophobicContact CB-CG 4.27Å; V86-P170 HydrophobicContact CB-CB 3.67Å; V86-P170 HydrophobicContact CB-CG 3.75Å; V86-P170 HydrophobicContact CG1-CB 3.48Å; V86-P170 VanDerWaalsContact CG1-CB 3.48Å; V86-P170 HydrophobicContact CG1-CG 3.82Å; V86-P170 HydrophobicContact CG2-CG 4.35Å; I87-P170 HydrophobicContact CG1-CB 4.05Å; I87-P170 WeakPolarHBondContact CG1-O 3.1Å; P170-D172 VanDerWaalsContact C-N 3.28Å; P170-D172 PolarHBondContact O-N 3.4Å; P170-G173 PolarHBondContact O-N 3.39Å; P170-F174 WeakPolarHBondContact O-CB 3.37Å; P170-F174 PolarHBondContact O-N 3Å
171V98.1Very high97.4Very high48 Ų4818.9 Ų18.929%0.29110%0.1SC..Hα-helixtrans-64.6-34.4175.4177.40000111.9F90 L150 H169 L175F90-V171 HydrophobicContact CE2-CG2 4.39Å; L150-V171 HydrophobicContact CD1-CG1 4.19Å; L150-V171 HydrophobicContact CD2-CB 4.16Å; L150-V171 HydrophobicContact CD2-CG1 4.35Å; H169-V171 VanDerWaalsContact C-N 3.33Å; H169-V171 PolarHBondContact ND1-N 2.94Å; H169-V171 VanDerWaalsContact ND1-N 3.17Å; H169-V171 PolarHBondContact O-N 2.69Å; V171-L175 HydrophobicContact CG1-CD1 3.9Å; V171-L175 HydrophobicContact CG1-CG 4.23Å; V171-L175 WeakPolarHBondContact O-CB 3.36Å; V171-L175 WeakPolarHBondContact O-CG 3.38Å; V171-L175 PolarHBondContact O-N 2.82Å
172D97.8Very high97.4Very high0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-65.5-53.3175.9174.28.2000110.1L141 L150 H151 F168 H169 P170 F174 L175 Q176L141-D172 WeakPolarHBondContact CD1-OD1 3.33Å; L141-D172 HydrophobicContact CD2-CB 4.45Å; L150-D172 HydrophobicContact CB-CB 4.35Å; H151-D172 WeakPolarHBondContact CA-OD2 3.16Å; H151-D172 IonicContact CE1-OD2 2.7Å; H151-D172 IonicContact CG-OD2 3.65Å; H151-D172 IonicContact ND1-OD1 3.46Å; H151-D172 PolarHBondContact ND1-OD1 2.96Å; H151-D172 IonicContact ND1-OD2 2.76Å; H151-D172 PolarHBondContact ND1-OD2 3.06Å; F168-D172 HydrophobicContact CB-CB 4.28Å; H169-D172 HydrophobicContact CB-CB 4.02Å; H169-D172 WeakPolarHBondContact O-CA 3.46Å; H169-D172 VanDerWaalsContact O-CB 3.26Å; H169-D172 WeakPolarHBondContact O-CB 3.19Å; H169-D172 PolarHBondContact O-N 3.3Å; P170-D172 VanDerWaalsContact C-N 3.28Å; P170-D172 PolarHBondContact O-N 3.4Å; D172-F174 VanDerWaalsContact C-N 3.33Å; D172-F174 PolarHBondContact O-N 2.85Å; D172-L175 PolarHBondContact O-N 2.89Å; D172-Q176 PolarHBondContact O-N 3.25Å; D172-Q176 PolarHBondContact OD1-NE2 3.25Å
173G96.9Very high97.4Very high9 Ų921.6 Ų21.69%0.09311%0.113CC..Hα-helixtrans-57.6-42.8176.500000113.2H169 P170 S177H169-G173 PolarHBondContact O-N 3.02Å; P170-G173 PolarHBondContact O-N 3.39Å; G173-S177 WeakPolarHBondContact O-CB 3.1Å; G173-S177 PolarHBondContact O-N 3.34Å; G173-S177 PolarHBondContact O-OG 2.93Å
174F98.3Very high97.3Very high37 Ų3721 Ų2116%0.16211%0.111CC..Hα-helixtrans-61.9-50175.3172.3-110.3000111.9I87 F90 L94 P170 D172 Q176 S177 L178I87-F174 HydrophobicContact CG2-CB 4.49Å; F90-F174 HydrophobicContact CB-CB 4.23Å; F90-F174 HydrophobicContact CB-CD1 4.01Å; F90-F174 HydrophobicContact CB-CD2 3.37Å; F90-F174 HydrophobicContact CB-CE1 4.21Å; F90-F174 HydrophobicContact CB-CE2 3.6Å; F90-F174 HydrophobicContact CB-CG 3.58Å; F90-F174 HydrophobicContact CB-CZ 4.01Å; F90-F174 HydrophobicContact CD2-CB 4.35Å; F90-F174 HydrophobicContact CD2-CG 4.45Å; F90-F174 HydrophobicContact CG-CD1 4.35Å; F90-F174 HydrophobicContact CG-CD2 4.44Å; F90-F174 HydrophobicContact CG-CG 4.2Å; F90-F174 WeakPolarHBondContact O-CE2 3.37Å; L94-F174 HydrophobicContact CD1-CE2 4.25Å; P170-F174 WeakPolarHBondContact O-CB 3.37Å; P170-F174 PolarHBondContact O-N 3Å; D172-F174 VanDerWaalsContact C-N 3.33Å; D172-F174 PolarHBondContact O-N 2.85Å; F174-Q176 VanDerWaalsContact C-N 3.35Å; F174-Q176 PolarHBondContact O-N 3.06Å; F174-S177 WeakPolarHBondContact CA-OG 3.31Å; F174-S177 PolarHBondContact O-N 3.05Å; F174-S177 VanDerWaalsContact O-N 3.13Å; F174-S177 PolarHBondContact O-OG 3.01Å; F174-L178 HydrophobicContact CE1-CD1 4.46Å; F174-L178 HydrophobicContact CE2-CD1 4.18Å; F174-L178 HydrophobicContact CZ-CD1 3.8Å; F174-L178 PolarHBondContact O-N 3.37Å
175L98.3Very high97.3Very high54 Ų5423.1 Ų23.128%0.28312%0.12SC..Hα-helixtrans-59.3-45.2-179.8-74.5173.1000111.5I137 L141 V171 D172 S177 L178I137-L175 VanDerWaalsContact CD1-O 3.3Å; I137-L175 WeakPolarHBondContact CD1-O 3.09Å; I137-L175 HydrophobicContact CG2-CB 3.83Å; L141-L175 HydrophobicContact CD2-CD1 4.24Å; V171-L175 HydrophobicContact CG1-CD1 3.9Å; V171-L175 HydrophobicContact CG1-CG 4.23Å; V171-L175 WeakPolarHBondContact O-CB 3.36Å; V171-L175 WeakPolarHBondContact O-CG 3.38Å; V171-L175 PolarHBondContact O-N 2.82Å; D172-L175 PolarHBondContact O-N 2.89Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.25Å; L175-L178 WeakPolarHBondContact O-CB 3.46Å; L175-L178 PolarHBondContact O-N 3.42Å
176Q97.3Very high97.3Very high22 Ų2227.2 Ų27.210%0.10314%0.141CC..Hα-helixtrans-66.7-31.5177.4-67.5-166.469.800112.6I134 I137 L141 D172 F174 P179I134-Q176 WeakPolarHBondContact CG1-O 3.41Å; I137-Q176 HydrophobicContact CG2-CG 4.22Å; L141-Q176 HydrophobicContact CD1-CG 3.75Å; D172-Q176 PolarHBondContact O-N 3.25Å; D172-Q176 PolarHBondContact OD1-NE2 3.25Å; F174-Q176 VanDerWaalsContact C-N 3.35Å; F174-Q176 PolarHBondContact O-N 3.06Å; Q176-P179 WeakPolarHBondContact O-CD 3.32Å
177S96.8Very high97.3Very high21 Ų2129.6 Ų29.615%0.14715%0.151CC..Hα-helixtrans-76.9-21.4175.173.90000114.3G173 F174 L175 P179 Y180 H181G173-S177 WeakPolarHBondContact O-CB 3.1Å; G173-S177 PolarHBondContact O-N 3.34Å; G173-S177 PolarHBondContact O-OG 2.93Å; F174-S177 WeakPolarHBondContact CA-OG 3.31Å; F174-S177 PolarHBondContact O-N 3.05Å; F174-S177 VanDerWaalsContact O-N 3.13Å; F174-S177 PolarHBondContact O-OG 3.01Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.25Å; S177-P179 VanDerWaalsContact C-CD 3.45Å; S177-Y180 WeakPolarHBondContact O-CB 2.97Å; S177-Y180 WeakPolarHBondContact O-CD2 3.47Å; S177-Y180 PolarHBondContact O-N 2.81Å; S177-Y180 VanDerWaalsContact O-N 3.11Å; S177-H181 PolarHBondContact O-CD2 3.45Å
178L97.9Very high97.1Very high45 Ų4532.8 Ų32.824%0.23617%0.172CC..Hα-helixtrans-56-41.6-169.1-175.963000113.8L94 F174 L175 Y180 H181 I182L94-L178 HydrophobicContact CD1-CD1 3.81Å; F174-L178 HydrophobicContact CE1-CD1 4.46Å; F174-L178 HydrophobicContact CE2-CD1 4.18Å; F174-L178 HydrophobicContact CZ-CD1 3.8Å; F174-L178 PolarHBondContact O-N 3.37Å; L175-L178 WeakPolarHBondContact O-CB 3.46Å; L175-L178 PolarHBondContact O-N 3.42Å; L178-Y180 PolarHBondContact O-N 3.09Å; L178-H181 PolarHBondContact O-N 3.25Å; L178-H181 VanDerWaalsContact O-N 3.07Å; L178-I182 HydrophobicContact CD1-CD1 4.06Å; L178-I182 HydrophobicContact CD1-CG1 3.67Å; L178-I182 HydrophobicContact CG-CG1 3.82Å; L178-I182 WeakPolarHBondContact O-CG1 3.16Å; L178-I182 PolarHBondContact O-N 3.11Å
179P98.4Very high97Very high5 Ų532 Ų323%0.03217%0.168CC..Hα-helixtrans-59-34.3179.6-28.840.7000113.7F129 T130 F133 I134 I137 Q176 S177 H181 Y183F129-P179 HydrophobicContact CE1-CB 4.41Å; T130-P179 HydrophobicContact CG2-CB 4.36Å; F133-P179 HydrophobicContact CB-CB 3.78Å; F133-P179 HydrophobicContact CB-CG 3.54Å; I134-P179 HydrophobicContact CG1-CB 4.23Å; I134-P179 HydrophobicContact CG1-CG 3.84Å; I137-P179 HydrophobicContact CD1-CG 3.72Å; Q176-P179 WeakPolarHBondContact O-CD 3.32Å; S177-P179 VanDerWaalsContact C-CD 3.45Å; P179-H181 VanDerWaalsContact C-N 3.32Å; P179-H181 PolarHBondContact O-N 3.21Å; P179-Y183 PolarHBondContact O-N 3.03Å; P179-Y183 VanDerWaalsContact O-N 3.11Å
180Y97.6Very high96.8Very high16 Ų1629.8 Ų29.86%0.06316%0.158CC..Hα-helixtrans-62.1-43176.2-54.8-50.8000111.4F126 T130 I134 S177 L178 P184 Y194 V201 Q242 Y243F126-Y180 HydrophobicContact CE1-CD1 4.09Å; F126-Y180 AromaticContact CZ-CD1 3.65Å; F126-Y180 HydrophobicContact CZ-CD1 3.65Å; F126-Y180 HydrophobicContact CZ-CE1 4.48Å; F126-Y180 HydrophobicContact CZ-CG 4.41Å; T130-Y180 HydrophobicContact CG2-CD1 3.43Å; T130-Y180 VanDerWaalsContact CG2-CD1 3.43Å; T130-Y180 HydrophobicContact CG2-CE1 3.84Å; T130-Y180 HydrophobicContact CG2-CG 4.48Å; I134-Y180 HydrophobicContact CD1-CE1 3.6Å; I134-Y180 HydrophobicContact CD1-CE2 3.82Å; I134-Y180 WeakPolarHBondContact CD1-OH 3.28Å; S177-Y180 WeakPolarHBondContact O-CB 2.97Å; S177-Y180 WeakPolarHBondContact O-CD2 3.47Å; S177-Y180 PolarHBondContact O-N 2.81Å; S177-Y180 VanDerWaalsContact O-N 3.11Å; L178-Y180 PolarHBondContact O-N 3.09Å; Y180-P184 VanDerWaalsContact O-CD 3.31Å; Y180-P184 WeakPolarHBondContact O-CD 3.21Å; Y180-Y194 WeakPolarHBondContact O-CE2 3.42Å; Y180-V201 HydrophobicContact CD1-CG1 4.21Å; Y180-V201 HydrophobicContact CD1-CG2 4.5Å; Y180-V201 HydrophobicContact CD2-CG2 4.35Å; Y180-V201 HydrophobicContact CE1-CB 4.09Å; Y180-V201 HydrophobicContact CE1-CG1 3.74Å; Y180-V201 HydrophobicContact CE1-CG2 4.36Å; Y180-V201 HydrophobicContact CE2-CB 4.37Å; Y180-V201 HydrophobicContact CE2-CG2 4.18Å; Y180-V201 HydrophobicContact CG-CG2 4.5Å; Y180-Q242 PolarHBondContact OH-NE2 3.34Å; Y180-Y243 WeakPolarHBondContact CE1-OH 3.16Å; Y180-Y243 VanDerWaalsContact CZ-OH 3.3Å; Y180-Y243 PolarHBondContact OH-OH 3.28Å
181H97.1Very high96.5Very high5 Ų529.9 Ų29.92%0.02316%0.156CC..Hα-helixtrans-79.7-28.2-177-60.5-49000113.2T91 L94 F95 S177 L178 P179 P184 F185 Y194 Y198T91-H181 WeakPolarHBondContact CG2-NE2 3.31Å; L94-H181 HydrophobicContact CB-CB 4.49Å; L94-H181 HydrophobicContact CD1-CB 3.59Å; F95-H181 AromaticContact CE1-CE1 3.56Å; F95-H181 AromaticContact CE1-ND1 3.52Å; F95-H181 AromaticContact CZ-CE1 3.59Å; S177-H181 PolarHBondContact O-CD2 3.45Å; L178-H181 PolarHBondContact O-N 3.25Å; L178-H181 VanDerWaalsContact O-N 3.07Å; P179-H181 VanDerWaalsContact C-N 3.32Å; P179-H181 PolarHBondContact O-N 3.21Å; H181-P184 WeakPolarHBondContact O-CD 3.2Å; H181-P184 WeakPolarHBondContact O-CG 3.45Å; H181-F185 WeakPolarHBondContact O-CD2 3.47Å; H181-F185 WeakPolarHBondContact O-CE2 3.37Å; H181-Y194 PolarHBondContact ND1-OH 2.71Å; H181-Y198 AromaticContact CE1-CE2 3.91Å
182I98.1Very high96.2Very high54 Ų5431.2 Ų31.228%0.27716%0.164SC..Hα-helixtrans-79.4-32.1178.6-68-60.9000112.3L94 L178 F185 I186L94-I182 HydrophobicContact CD2-CD1 4.45Å; L178-I182 HydrophobicContact CD1-CD1 4.06Å; L178-I182 HydrophobicContact CD1-CG1 3.67Å; L178-I182 HydrophobicContact CG-CG1 3.82Å; L178-I182 WeakPolarHBondContact O-CG1 3.16Å; L178-I182 PolarHBondContact O-N 3.11Å; I182-F185 WeakPolarHBondContact O-CB 3.43Å; I182-F185 PolarHBondContact O-N 3.44Å; I182-I186 HydrophobicContact CG2-CD1 3.66Å; I182-I186 HydrophobicContact CG2-CG1 4.21Å
183Y98.2Very high96Very high3 Ų332.1 Ų32.11%0.01217%0.17CC..Hα-helixtrans-46.4-52.6179.3-174.3-86.6000114.1S122 S125 F126 F129 P179 F185 I186 F187 L189S122-Y183 PolarHBondContact O-OH 3.48Å; S125-Y183 VanDerWaalsContact CB-OH 3.25Å; S125-Y183 WeakPolarHBondContact CB-OH 3.29Å; S125-Y183 PolarHBondContact OG-OH 2.89Å; F126-Y183 VanDerWaalsContact CA-CE2 3.47Å; F126-Y183 HydrophobicContact CB-CD1 4.48Å; F126-Y183 HydrophobicContact CB-CD2 4.48Å; F126-Y183 HydrophobicContact CB-CE1 4.12Å; F126-Y183 HydrophobicContact CB-CE2 4.13Å; F126-Y183 AromaticContact CD2-CD1 3.6Å; F126-Y183 HydrophobicContact CD2-CD1 3.6Å; F126-Y183 HydrophobicContact CD2-CD2 4.14Å; F126-Y183 HydrophobicContact CD2-CE1 4.06Å; F126-Y183 AromaticContact CD2-CG 3.63Å; F126-Y183 HydrophobicContact CD2-CG 3.63Å; F126-Y183 HydrophobicContact CE2-CD1 4.4Å; F126-Y183 HydrophobicContact CE2-CG 4.3Å; F126-Y183 PolarHBondContact N-OH 3Å; F129-Y183 HydrophobicContact CB-CD2 3.82Å; F129-Y183 HydrophobicContact CB-CE2 3.9Å; F129-Y183 AromaticContact CD1-CD2 3.63Å; F129-Y183 HydrophobicContact CD1-CD2 3.63Å; F129-Y183 HydrophobicContact CD1-CG 4.46Å; F129-Y183 HydrophobicContact CD2-CD2 4.25Å; F129-Y183 HydrophobicContact CE1-CD2 4.23Å; F129-Y183 AromaticContact CG-CD2 3.65Å; F129-Y183 HydrophobicContact CG-CD2 3.65Å; F129-Y183 HydrophobicContact CG-CE2 4.13Å; P179-Y183 PolarHBondContact O-N 3.03Å; P179-Y183 VanDerWaalsContact O-N 3.11Å; Y183-F185 PolarHBondContact O-N 3.23Å; Y183-F185 VanDerWaalsContact O-N 3.14Å; Y183-I186 PolarHBondContact O-N 3.23Å; Y183-F187 HydrophobicContact CD1-CB 4.31Å; Y183-F187 AromaticContact CD2-CD2 3.7Å; Y183-F187 HydrophobicContact CD2-CD2 3.7Å; Y183-F187 HydrophobicContact CD2-CE2 4.32Å; Y183-F187 HydrophobicContact CE1-CB 3.75Å; Y183-F187 HydrophobicContact CE1-CD2 4.42Å; Y183-F187 HydrophobicContact CE1-CG 4.46Å; Y183-F187 HydrophobicContact CE2-CB 4.22Å; Y183-F187 AromaticContact CE2-CD2 3.46Å; Y183-F187 HydrophobicContact CE2-CD2 3.46Å; Y183-F187 VanDerWaalsContact CE2-CD2 3.46Å; Y183-F187 HydrophobicContact CE2-CE2 4.12Å; Y183-F187 HydrophobicContact CE2-CG 4.05Å; Y183-F187 HydrophobicContact CG-CD2 4.29Å; Y183-F187 AromaticContact CZ-CD2 3.86Å; Y183-F187 AromaticContact CZ-CG 3.98Å; Y183-F187 PolarHBondContact O-N 3.32Å; Y183-L189 HydrophobicContact CD1-CD2 3.95Å; Y183-L189 HydrophobicContact CE1-CB 4.25Å; Y183-L189 HydrophobicContact CE1-CD2 4.02Å
184P96.4Very high95.9Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-67.9-11.2-178.627.9-37.6000114.6K104 L105 Y180 H181 Y194K104-P184 WeakPolarHBondContact CA-O 3.34Å; K104-P184 WeakPolarHBondContact CB-O 2.99Å; K104-P184 PolarHBondContact N-O 2.9Å; L105-P184 HydrophobicContact CD1-CB 4.45Å; L105-P184 HydrophobicContact CD2-CB 3.55Å; L105-P184 HydrophobicContact CG-CB 3.73Å; Y180-P184 VanDerWaalsContact O-CD 3.31Å; Y180-P184 WeakPolarHBondContact O-CD 3.21Å; H181-P184 WeakPolarHBondContact O-CD 3.2Å; H181-P184 WeakPolarHBondContact O-CG 3.45Å; P184-Y194 HydrophobicContact CG-CE2 3.97Å
185F97.3Very high95.7Very high45 Ų4531.9 Ų31.920%0.19717%0.168CC..Hα-helixtrans-82.9-20.7171.9-67.3-88.3000112.3L97 E98 Y102 H181 I182 Y183L97-F185 HydrophobicContact CB-CE1 3.89Å; L97-F185 HydrophobicContact CB-CZ 3.98Å; E98-F185 HydrophobicContact CB-CZ 4.29Å; Y102-F185 WeakPolarHBondContact O-CD1 3.29Å; H181-F185 WeakPolarHBondContact O-CD2 3.47Å; H181-F185 WeakPolarHBondContact O-CE2 3.37Å; I182-F185 WeakPolarHBondContact O-CB 3.43Å; I182-F185 PolarHBondContact O-N 3.44Å; Y183-F185 PolarHBondContact O-N 3.23Å; Y183-F185 VanDerWaalsContact O-N 3.14Å
186I97.6Very high95.6Very high85 Ų8532 Ų3244%0.43617%0.173SC..Hα-helixtrans-101-44.5-177.2-56.2176.8000110.5K104 F129 I182 Y183K104-I186 VanDerWaalsContact CD-O 3.3Å; K104-I186 WeakPolarHBondContact CD-O 3.36Å; K104-I186 VanDerWaalsContact CE-O 3.25Å; K104-I186 WeakPolarHBondContact CE-O 3.07Å; F129-I186 HydrophobicContact CE2-CD1 4.26Å; F129-I186 HydrophobicContact CZ-CD1 3.98Å; I182-I186 HydrophobicContact CG2-CD1 3.66Å; I182-I186 HydrophobicContact CG2-CG1 4.21Å; Y183-I186 PolarHBondContact O-N 3.23Å
187F95.4Very high95.6Very high73 Ų7331.5 Ų31.532%0.3217%0.171SC..SBendtrans-118.1144.6-174.4-57.8-76.8000111.7F129 Y183F129-F187 AromaticContact CD2-CE2 3.72Å; F129-F187 HydrophobicContact CD2-CE2 3.72Å; F129-F187 AromaticContact CE2-CE2 3.74Å; F129-F187 HydrophobicContact CE2-CE2 3.74Å; Y183-F187 HydrophobicContact CD1-CB 4.31Å; Y183-F187 AromaticContact CD2-CD2 3.7Å; Y183-F187 HydrophobicContact CD2-CD2 3.7Å; Y183-F187 HydrophobicContact CD2-CE2 4.32Å; Y183-F187 HydrophobicContact CE1-CB 3.75Å; Y183-F187 HydrophobicContact CE1-CD2 4.42Å; Y183-F187 HydrophobicContact CE1-CG 4.46Å; Y183-F187 HydrophobicContact CE2-CB 4.22Å; Y183-F187 AromaticContact CE2-CD2 3.46Å; Y183-F187 HydrophobicContact CE2-CD2 3.46Å; Y183-F187 VanDerWaalsContact CE2-CD2 3.46Å; Y183-F187 HydrophobicContact CE2-CE2 4.12Å; Y183-F187 HydrophobicContact CE2-CG 4.05Å; Y183-F187 HydrophobicContact CG-CD2 4.29Å; Y183-F187 AromaticContact CZ-CD2 3.86Å; Y183-F187 AromaticContact CZ-CG 3.98Å; Y183-F187 PolarHBondContact O-N 3.32Å
188P92.5Very high95.5Very high66 Ų6633.3 Ų33.343%0.42918%0.175SC..  trans-63.6139.3170.929.1-33.5000110.3K104K104-P188 WeakPolarHBondContact O-CA 3.49Å
189L92.3Very high95.5Very high0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-152.5135.2177.2-175.462.4000110.5K104 L105 H106 F126 Y183 K191 V193 Y194 L197K104-L189 PolarHBondContact O-N 3.12Å; L105-L189 WeakPolarHBondContact CA-O 2.88Å; L105-L189 HydrophobicContact CD2-CB 3.95Å; L105-L189 HydrophobicContact CD2-CG 4.42Å; L105-L189 WeakPolarHBondContact CD2-O 3.24Å; H106-L189 PolarHBondContact CD2-O 2.77Å; H106-L189 PolarHBondContact N-O 2.99Å; H106-L189 VanDerWaalsContact NE2-C 3.27Å; F126-L189 HydrophobicContact CD2-CD2 4.13Å; Y183-L189 HydrophobicContact CD1-CD2 3.95Å; Y183-L189 HydrophobicContact CE1-CB 4.25Å; Y183-L189 HydrophobicContact CE1-CD2 4.02Å; L189-K191 PolarHBondContact O-N 3.49Å; L189-V193 HydrophobicContact CD1-CG1 4.02Å; L189-Y194 HydrophobicContact CD2-CD2 3.75Å; L189-Y194 HydrophobicContact CD2-CG 4.11Å; L189-L197 HydrophobicContact CD2-CD1 4.45Å
190H92.3Very high95.4Very high14 Ų1439.5 Ų39.57%0.06521%0.207CC..EExtended strand (participates in β ladder)trans-66.7131.8178.1-176.1-95.1000110.9H106 D107 L109 L119 V192 V193 Y194H106-H190 AromaticContact CE1-CD2 3.95Å; H106-H190 PolarHBondContact NE2-N 3.15Å; D107-H190 PolarHBondContact O-NE2 3.35Å; D107-H190 VanDerWaalsContact O-NE2 3.1Å; L109-H190 HydrophobicContact CD2-CB 4.45Å; L109-H190 VanDerWaalsContact CD2-CD2 3.45Å; L109-H190 WeakPolarHBondContact CD2-CD2 3.46Å; L119-H190 HydrophobicContact CD1-CB 4.04Å; H190-V192 PolarHBondContact ND1-N 3.48Å; H190-V192 PolarHBondContact O-N 3.07Å; H190-V193 HydrophobicContact CB-CB 4.24Å; H190-V193 HydrophobicContact CB-CG2 4.23Å; H190-V193 WeakPolarHBondContact O-CA 3.47Å; H190-V193 WeakPolarHBondContact O-CB 3.28Å; H190-V193 PolarHBondContact O-N 2.87Å; H190-Y194 PolarHBondContact O-N 3.24Å
191K92.4Very high95.4Very high25 Ų2539 Ų3911%0.10921%0.205CC..Hα-helixtrans-55.8-44.3-173.4-75.9167.8-178.1-176.90113.8D2 L3 L105 H106 D107 L189 V193 Y194 L195D2-K191 VanDerWaalsContact OD2-CE 3.25Å; D2-K191 WeakPolarHBondContact OD2-CE 3.45Å; D2-K191 IonicContact OD2-NZ 3.01Å; D2-K191 PolarHBondContact OD2-NZ 3.06Å; L3-K191 HydrophobicContact CD1-CB 3.94Å; L105-K191 HydrophobicContact CB-CG 3.7Å; L105-K191 HydrophobicContact CD1-CG 4.25Å; L105-K191 HydrophobicContact CG-CG 4.45Å; H106-K191 WeakPolarHBondContact O-CG 3.15Å; H106-K191 PolarHBondContact O-N 2.84Å; D107-K191 WeakPolarHBondContact OD1-CD 3.22Å; D107-K191 IonicContact OD1-NZ 2.75Å; D107-K191 PolarHBondContact OD1-NZ 3.27Å; D107-K191 IonicContact OD2-NZ 3.49Å; D107-K191 PolarHBondContact OD2-NZ 2.92Å; L189-K191 PolarHBondContact O-N 3.49Å; K191-V193 VanDerWaalsContact C-N 3.31Å; K191-V193 PolarHBondContact O-N 2.75Å; K191-Y194 PolarHBondContact O-N 3.11Å; K191-L195 WeakPolarHBondContact O-CG 3.41Å; K191-L195 PolarHBondContact O-N 2.77Å
192V92.1Very high95.4Very high77 Ų7739.7 Ų39.747%0.46721%0.209SC..Hα-helixtrans-66.9-35.5179-179.10000111.2L3 H190 S196L3-V192 HydrophobicContact CD1-CG2 4.19Å; H190-V192 PolarHBondContact ND1-N 3.48Å; H190-V192 PolarHBondContact O-N 3.07Å; V192-S196 WeakPolarHBondContact O-CB 3.16Å; V192-S196 PolarHBondContact O-N 3.27Å; V192-S196 PolarHBondContact O-OG 3.11Å
193V93.1Very high95.4Very high19 Ų1940.7 Ų40.712%0.11521%0.214CC..Hα-helixtrans-69.6-42.5176.3172.10000110.4L119 I123 L189 H190 K191 L195 S196 L197L119-V193 HydrophobicContact CD1-CB 4.32Å; L119-V193 HydrophobicContact CD1-CG2 3.49Å; L119-V193 VanDerWaalsContact CD1-CG2 3.49Å; L119-V193 HydrophobicContact CD2-CG2 4.12Å; L119-V193 HydrophobicContact CG-CG2 4.05Å; I123-V193 HydrophobicContact CD1-CG1 4.05Å; I123-V193 HydrophobicContact CG1-CG1 3.65Å; L189-V193 HydrophobicContact CD1-CG1 4.02Å; H190-V193 HydrophobicContact CB-CB 4.24Å; H190-V193 HydrophobicContact CB-CG2 4.23Å; H190-V193 WeakPolarHBondContact O-CA 3.47Å; H190-V193 WeakPolarHBondContact O-CB 3.28Å; H190-V193 PolarHBondContact O-N 2.87Å; K191-V193 VanDerWaalsContact C-N 3.31Å; K191-V193 PolarHBondContact O-N 2.75Å; V193-L195 PolarHBondContact O-N 3.36Å; V193-S196 PolarHBondContact O-N 3.42Å; V193-L197 HydrophobicContact CG1-CD1 3.71Å; V193-L197 HydrophobicContact CG1-CG 4.16Å; V193-L197 WeakPolarHBondContact O-CB 3.32Å; V193-L197 VanDerWaalsContact O-CG 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.24Å; V193-L197 PolarHBondContact O-N 2.74Å
194Y95.1Very high95.4Very high5 Ų543.8 Ų43.82%0.0223%0.226CC..Hα-helixtrans-57.4-47.2173.7177.2-118.6000112.4E98 L105 F126 Y180 H181 P184 L189 H190 K191 S196 L197 Y198E98-Y194 VanDerWaalsContact OE2-CE1 3.28Å; E98-Y194 WeakPolarHBondContact OE2-CE1 3.49Å; L105-Y194 HydrophobicContact CD1-CD1 3.62Å; L105-Y194 HydrophobicContact CD1-CE1 3.96Å; L105-Y194 HydrophobicContact CD1-CG 4.32Å; L105-Y194 HydrophobicContact CD2-CD1 4.08Å; L105-Y194 HydrophobicContact CD2-CG 3.94Å; F126-Y194 HydrophobicContact CE2-CD2 4.44Å; Y180-Y194 WeakPolarHBondContact O-CE2 3.42Å; H181-Y194 PolarHBondContact ND1-OH 2.71Å; P184-Y194 HydrophobicContact CG-CE2 3.97Å; L189-Y194 HydrophobicContact CD2-CD2 3.75Å; L189-Y194 HydrophobicContact CD2-CG 4.11Å; H190-Y194 PolarHBondContact O-N 3.24Å; K191-Y194 PolarHBondContact O-N 3.11Å; Y194-S196 VanDerWaalsContact C-N 3.35Å; Y194-S196 PolarHBondContact O-N 2.96Å; Y194-L197 PolarHBondContact O-N 3.19Å; Y194-Y198 WeakPolarHBondContact O-CB 3.03Å; Y194-Y198 PolarHBondContact O-N 3.43Å
195L94.6Very high95.4Very high36 Ų3644.7 Ų44.719%0.18823%0.231CC..Hα-helixtrans-63.3-39.3175.7-71.6174.6000112.4L3 V4 K191 V193 Y198 I199L3-L195 HydrophobicContact CB-CD1 4.24Å; L3-L195 HydrophobicContact CD1-CD1 4.01Å; V4-L195 HydrophobicContact CG2-CD1 4.16Å; V4-L195 HydrophobicContact CG2-CD2 4.1Å; K191-L195 WeakPolarHBondContact O-CG 3.41Å; K191-L195 PolarHBondContact O-N 2.77Å; V193-L195 PolarHBondContact O-N 3.36Å; L195-Y198 WeakPolarHBondContact O-CB 3.34Å; L195-Y198 PolarHBondContact O-N 2.74Å; L195-I199 WeakPolarHBondContact O-CG1 3.49Å; L195-I199 PolarHBondContact O-N 2.92Å; L195-I199 VanDerWaalsContact O-N 3.13Å
196S95.3Very high95.5Very high57 Ų5742.7 Ų42.740%0.39922%0.223SC..Hα-helixtrans-66.3-44.4178-58.20000111.1V192 V193 Y194 Y198 I199 L200V192-S196 WeakPolarHBondContact O-CB 3.16Å; V192-S196 PolarHBondContact O-N 3.27Å; V192-S196 PolarHBondContact O-OG 3.11Å; V193-S196 PolarHBondContact O-N 3.42Å; Y194-S196 VanDerWaalsContact C-N 3.35Å; Y194-S196 PolarHBondContact O-N 2.96Å; S196-Y198 VanDerWaalsContact C-N 3.35Å; S196-I199 PolarHBondContact O-N 3.48Å; S196-L200 WeakPolarHBondContact O-CG 3.3Å; S196-L200 PolarHBondContact O-N 2.77Å
197L96.7Very high95.5Very high10 Ų1040.4 Ų40.45%0.05221%0.214CC..Hα-helixtrans-61.2-43.7173.7-71.8168000110.7I123 F126 L189 V193 Y194 I199 L200 V201I123-L197 HydrophobicContact CG1-CD1 4.41Å; I123-L197 HydrophobicContact CG2-CD2 4.24Å; F126-L197 HydrophobicContact CB-CD1 4.18Å; F126-L197 HydrophobicContact CD1-CB 4.35Å; F126-L197 HydrophobicContact CD1-CD1 3.72Å; F126-L197 HydrophobicContact CD1-CD2 4.18Å; F126-L197 HydrophobicContact CD1-CG 4.31Å; F126-L197 HydrophobicContact CD2-CD1 4.26Å; F126-L197 HydrophobicContact CE1-CB 3.91Å; F126-L197 HydrophobicContact CE1-CD1 4.11Å; F126-L197 HydrophobicContact CE1-CD2 4.39Å; F126-L197 HydrophobicContact CE1-CG 4.37Å; F126-L197 HydrophobicContact CG-CD1 3.8Å; F126-L197 HydrophobicContact CZ-CB 4.19Å; L189-L197 HydrophobicContact CD2-CD1 4.45Å; V193-L197 HydrophobicContact CG1-CD1 3.71Å; V193-L197 HydrophobicContact CG1-CG 4.16Å; V193-L197 WeakPolarHBondContact O-CB 3.32Å; V193-L197 VanDerWaalsContact O-CG 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.24Å; V193-L197 PolarHBondContact O-N 2.74Å; Y194-L197 PolarHBondContact O-N 3.19Å; L197-I199 VanDerWaalsContact C-N 3.27Å; L197-I199 PolarHBondContact O-N 3.28Å; L197-L200 PolarHBondContact O-N 2.91Å; L197-V201 VanDerWaalsContact O-CG1 3.32Å; L197-V201 WeakPolarHBondContact O-CG1 3.35Å; L197-V201 WeakPolarHBondContact O-CG2 3.18Å; L197-V201 PolarHBondContact O-N 3.04Å
198Y95.1Very high95.6Very high59 Ų5937 Ų3723%0.23120%0.199CC..Hα-helixtrans-54.9-41.6175.4179.7-94.2000112.4H181 Y194 L195 S196 V201 N202H181-Y198 AromaticContact CE1-CE2 3.91Å; Y194-Y198 WeakPolarHBondContact O-CB 3.03Å; Y194-Y198 PolarHBondContact O-N 3.43Å; L195-Y198 WeakPolarHBondContact O-CB 3.34Å; L195-Y198 PolarHBondContact O-N 2.74Å; S196-Y198 VanDerWaalsContact C-N 3.35Å; Y198-V201 WeakPolarHBondContact O-CG2 3.28Å; Y198-N202 PolarHBondContact O-N 3.38Å; Y198-N202 PolarHBondContact O-ND2 2.83Å
199I96.9Very high95.8Very high79 Ų7934 Ų3441%0.40518%0.179SC..Hα-helixtrans-67.1-46.9174.5-65.7167.1000110.8L45 L195 S196 L197 V201 N202 I203L45-I199 HydrophobicContact CD1-CG2 4.11Å; L195-I199 WeakPolarHBondContact O-CG1 3.49Å; L195-I199 PolarHBondContact O-N 2.92Å; L195-I199 VanDerWaalsContact O-N 3.13Å; S196-I199 PolarHBondContact O-N 3.48Å; L197-I199 VanDerWaalsContact C-N 3.27Å; L197-I199 PolarHBondContact O-N 3.28Å; I199-V201 PolarHBondContact O-N 3.39Å; I199-N202 PolarHBondContact O-N 3.26Å; I199-I203 HydrophobicContact CG2-CD1 3.87Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 WeakPolarHBondContact O-CG1 3.36Å; I199-I203 PolarHBondContact O-N 3.41Å
200L97.8Very high95.9Very high102 Ų10234.5 Ų34.553%0.53418%0.182SC..Hα-helixtrans-61.7-40.4-178.7-71.2171.5000112.9S196 L197 N202 I203 W204S196-L200 WeakPolarHBondContact O-CG 3.3Å; S196-L200 PolarHBondContact O-N 2.77Å; L197-L200 PolarHBondContact O-N 2.91Å; L200-N202 VanDerWaalsContact C-N 3.3Å; L200-N202 PolarHBondContact O-N 2.95Å; L200-I203 PolarHBondContact O-N 3.44Å; L200-W204 WeakPolarHBondContact O-CB 3.41Å; L200-W204 PolarHBondContact O-N 2.81Å
201V97.3Very high95.8Very high5 Ų533.9 Ų33.93%0.0318%0.18CC..Hα-helixtrans-66.8-33.2178.6-58.60000111.9F126 Y180 L197 Y198 I199 W204 T205 Y243F126-V201 HydrophobicContact CE1-CG1 4.08Å; Y180-V201 HydrophobicContact CD1-CG1 4.21Å; Y180-V201 HydrophobicContact CD1-CG2 4.5Å; Y180-V201 HydrophobicContact CD2-CG2 4.35Å; Y180-V201 HydrophobicContact CE1-CB 4.09Å; Y180-V201 HydrophobicContact CE1-CG1 3.74Å; Y180-V201 HydrophobicContact CE1-CG2 4.36Å; Y180-V201 HydrophobicContact CE2-CB 4.37Å; Y180-V201 HydrophobicContact CE2-CG2 4.18Å; Y180-V201 HydrophobicContact CG-CG2 4.5Å; L197-V201 VanDerWaalsContact O-CG1 3.32Å; L197-V201 WeakPolarHBondContact O-CG1 3.35Å; L197-V201 WeakPolarHBondContact O-CG2 3.18Å; L197-V201 PolarHBondContact O-N 3.04Å; Y198-V201 WeakPolarHBondContact O-CG2 3.28Å; I199-V201 PolarHBondContact O-N 3.39Å; V201-W204 PolarHBondContact O-N 2.87Å; V201-T205 WeakPolarHBondContact O-CB 3.32Å; V201-T205 PolarHBondContact O-N 2.98Å; V201-T205 PolarHBondContact O-OG1 2.94Å; V201-Y243 HydrophobicContact CG1-CE1 4.48Å; V201-Y243 WeakPolarHBondContact CG1-OH 3.4Å
202N97.3Very high95.8Very high20 Ų2034.5 Ų34.511%0.10718%0.184CC..Hα-helixtrans-69.9-43.8173.9-84.4-89.2000111.4L45 H166 Y198 I199 L200 W204 T205 I206L45-N202 HydrophobicContact CD2-CB 3.44Å; L45-N202 VanDerWaalsContact CD2-CB 3.44Å; L45-N202 HydrophobicContact CG-CB 4.08Å; H166-N202 PolarHBondContact NE2-OD1 2.83Å; Y198-N202 PolarHBondContact O-N 3.38Å; Y198-N202 PolarHBondContact O-ND2 2.83Å; I199-N202 PolarHBondContact O-N 3.26Å; L200-N202 VanDerWaalsContact C-N 3.3Å; L200-N202 PolarHBondContact O-N 2.95Å; N202-W204 VanDerWaalsContact C-N 3.29Å; N202-W204 PolarHBondContact O-N 3.39Å; N202-T205 PolarHBondContact O-N 3.47Å; N202-I206 WeakPolarHBondContact O-CG1 3.42Å; N202-I206 PolarHBondContact O-N 3.35Å
203I98Very high95.8Very high74 Ų7432 Ų3238%0.37917%0.167SC..Hα-helixtrans-58-46173-67.7169.2000110I199 L200 I206 S207I199-I203 HydrophobicContact CG2-CD1 3.87Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 WeakPolarHBondContact O-CG1 3.36Å; I199-I203 PolarHBondContact O-N 3.41Å; L200-I203 PolarHBondContact O-N 3.44Å; I203-I206 PolarHBondContact O-N 3.41Å; I203-S207 PolarHBondContact O-N 3.45Å
204W98Very high95.7Very high69 Ų6940.3 Ų40.326%0.26120%0.196SC..Hα-helixtrans-59.8-48.7177.8-175.3-90.9000112L200 V201 N202 I206 S207 I208 I223 N224 Q242 Y243L200-W204 WeakPolarHBondContact O-CB 3.41Å; L200-W204 PolarHBondContact O-N 2.81Å; V201-W204 PolarHBondContact O-N 2.87Å; N202-W204 VanDerWaalsContact C-N 3.29Å; N202-W204 PolarHBondContact O-N 3.39Å; W204-I206 PolarHBondContact O-N 2.97Å; W204-S207 WeakPolarHBondContact CA-OG 3.42Å; W204-S207 PolarHBondContact O-N 2.86Å; W204-S207 PolarHBondContact O-OG 2.6Å; W204-I208 HydrophobicContact CZ2-CG2 4.29Å; W204-I208 PolarHBondContact O-N 2.98Å; W204-I223 HydrophobicContact CH2-CG2 3.67Å; W204-I223 HydrophobicContact CZ2-CG2 4.09Å; W204-N224 WeakPolarHBondContact CZ2-O 3.41Å; W204-Q242 PolarHBondContact NE1-O 3.08Å; W204-Y243 HydrophobicContact CB-CD1 4.49Å; W204-Y243 HydrophobicContact CB-CE1 4.13Å; W204-Y243 AromaticContact CD1-CD1 3.36Å; W204-Y243 AromaticContact CD1-CE1 3.46Å; W204-Y243 VanDerWaalsContact CD1-CE1 3.46Å; W204-Y243 AromaticContact CD2-CD1 3.77Å; W204-Y243 HydrophobicContact CD2-CD1 3.77Å; W204-Y243 HydrophobicContact CD2-CE1 4.29Å; W204-Y243 AromaticContact CE2-CD1 3.6Å; W204-Y243 AromaticContact CG-CD1 3.63Å; W204-Y243 HydrophobicContact CG-CD1 3.63Å; W204-Y243 AromaticContact CG-CE1 3.67Å; W204-Y243 HydrophobicContact CG-CE1 3.67Å; W204-Y243 HydrophobicContact CZ2-CD1 4.33Å; W204-Y243 AromaticContact NE1-CD1 3.34Å; W204-Y243 VanDerWaalsContact NE1-CD1 3.34Å; W204-Y243 AromaticContact NE1-CE1 3.94Å
205T97.4Very high95.6Very high18 Ų1841.2 Ų41.211%0.1120%0.202CC..Hα-helixtrans-57.1-35.9178-59.10000111.4S165 V201 N202 I208 H209 Q242S165-T205 WeakPolarHBondContact CB-O 3.31Å; S165-T205 WeakPolarHBondContact O-CG2 3.49Å; V201-T205 WeakPolarHBondContact O-CB 3.32Å; V201-T205 PolarHBondContact O-N 2.98Å; V201-T205 PolarHBondContact O-OG1 2.94Å; N202-T205 PolarHBondContact O-N 3.47Å; T205-I208 WeakPolarHBondContact O-CG1 3.43Å; T205-H209 PolarHBondContact O-CE1 3.24Å; T205-H209 PolarHBondContact O-ND1 3.45Å; T205-Q242 PolarHBondContact OG1-NE2 2.94Å; T205-Q242 VanDerWaalsContact OG1-NE2 3.11Å
206I98.1Very high95.5Very high4 Ų443.1 Ų43.12%0.02122%0.217CC..Hα-helixtrans-71.1-46.2173.4-67163.5000111.1C49 A50 P162 S165 N202 I203 W204 I208 H209C49-I206 HydrophobicContact CB-CD1 3.45Å; C49-I206 VanDerWaalsContact CB-CD1 3.45Å; A50-I206 HydrophobicContact CB-CD1 4.45Å; A50-I206 HydrophobicContact CB-CG2 4.26Å; P162-I206 HydrophobicContact CB-CG2 3.85Å; S165-I206 WeakPolarHBondContact OG-CG1 3.39Å; N202-I206 WeakPolarHBondContact O-CG1 3.42Å; N202-I206 PolarHBondContact O-N 3.35Å; I203-I206 PolarHBondContact O-N 3.41Å; W204-I206 PolarHBondContact O-N 2.97Å; I206-I208 VanDerWaalsContact C-N 3.32Å; I206-I208 PolarHBondContact O-N 3.3Å; I206-H209 PolarHBondContact O-N 3.4Å
207S97.6Very high95.3Very high36 Ų3647.6 Ų47.625%0.25223%0.231SC..Hα-helixtrans-64.6-29.9-177.166.70000114I203 W204 H209 D210 S226I203-S207 PolarHBondContact O-N 3.45Å; W204-S207 WeakPolarHBondContact CA-OG 3.42Å; W204-S207 PolarHBondContact O-N 2.86Å; W204-S207 PolarHBondContact O-OG 2.6Å; S207-H209 PolarHBondContact O-N 3.02Å; S207-H209 VanDerWaalsContact O-N 3.12Å; S207-D210 WeakPolarHBondContact CA-OD2 3.4Å; S207-D210 PolarHBondContact O-N 3.36Å; S207-S226 PolarHBondContact O-OG 3.29Å
208I97.1Very high95.3Very high2 Ų253.8 Ų53.81%0.0126%0.263CS..THydrogen-bonded Turntrans-72.5-3.5176.264.2175.7000113.2W204 T205 I206 S226 H229W204-I208 HydrophobicContact CZ2-CG2 4.29Å; W204-I208 PolarHBondContact O-N 2.98Å; T205-I208 WeakPolarHBondContact O-CG1 3.43Å; I206-I208 VanDerWaalsContact C-N 3.32Å; I206-I208 PolarHBondContact O-N 3.3Å; I208-S226 WeakPolarHBondContact O-CA 3.2Å; I208-H229 HydrophobicContact CB-CB 4.07Å; I208-H229 WeakPolarHBondContact O-CB 3.46Å; I208-H229 PolarHBondContact O-CD2 2.8Å
209H97.6Very high95.3Very high2 Ų254.8 Ų54.81%0.00927%0.272CS..THydrogen-bonded Turntrans-112.73.7176.9-65.682.8000113.5H154 P160 T161 T205 I206 S207 G211 H229 H233H154-H209 AromaticContact CE1-NE2 3.28Å; H154-H209 PolarHBondContact CE1-NE2 3.39Å; H154-H209 VanDerWaalsContact CE1-NE2 3.28Å; H154-H209 AromaticContact NE2-NE2 3.54Å; P160-H209 HydrophobicContact CB-CB 4.3Å; T161-H209 CarbonylContact C-O 3.53Å; T161-H209 WeakPolarHBondContact CA-O 3.39Å; T161-H209 WeakPolarHBondContact O-CB 3.46Å; T205-H209 PolarHBondContact O-CE1 3.24Å; T205-H209 PolarHBondContact O-ND1 3.45Å; I206-H209 PolarHBondContact O-N 3.4Å; S207-H209 PolarHBondContact O-N 3.02Å; S207-H209 VanDerWaalsContact O-N 3.12Å; H209-G211 VanDerWaalsContact C-N 3.33Å; H209-G211 PolarHBondContact O-N 3.25Å; H209-H229 AromaticContact CD2-CD2 3.8Å; H209-H229 AromaticContact CD2-NE2 3.71Å; H209-H229 AromaticContact CE1-CD2 3.62Å; H209-H229 AromaticContact CE1-NE2 3.2Å; H209-H229 PolarHBondContact CE1-NE2 3.44Å; H209-H229 AromaticContact ND1-CD2 3.99Å; H209-H229 AromaticContact NE2-CD2 3.54Å; H209-H229 AromaticContact NE2-NE2 3Å; H209-H229 PolarHBondContact NE2-NE2 3.31Å; H209-H233 AromaticContact CD2-NE2 3.82Å; H209-H233 AromaticContact NE2-NE2 3.57Å
210D93.2Very high95.1Very high12 Ų1253.6 Ų53.66%0.06427%0.265CS..SBendtrans-84.6-1.6-171.966.715.6000114.7S53 V57 F58 P162 S207 D212 S226S53-D210 VanDerWaalsContact OG-CB 3.27Å; S53-D210 WeakPolarHBondContact OG-CB 3.45Å; V57-D210 HydrophobicContact CG1-CB 4.24Å; V57-D210 WeakPolarHBondContact CG1-OD2 3.2Å; F58-D210 VanDerWaalsContact CA-O 3.25Å; F58-D210 WeakPolarHBondContact CA-O 3.48Å; F58-D210 WeakPolarHBondContact CD2-O 3.38Å; P162-D210 HydrophobicContact CG-CB 3.84Å; S207-D210 WeakPolarHBondContact CA-OD2 3.4Å; S207-D210 PolarHBondContact O-N 3.36Å; D210-D212 PolarHBondContact O-N 2.98Å; D210-D212 PolarHBondContact OD1-N 3.09Å; D210-S226 WeakPolarHBondContact OD1-CB 3.37Å; D210-S226 PolarHBondContact OD1-OG 2.94Å
211G91.3Very high94.9Very high1 Ų151.3 Ų51.31%0.0126%0.256CS..  trans65.35.1-179.400000115.3H209 F213 S226H209-G211 VanDerWaalsContact C-N 3.33Å; H209-G211 PolarHBondContact O-N 3.25Å; G211-F213 WeakPolarHBondContact O-CD1 3.32Å; G211-F213 WeakPolarHBondContact O-CE1 3.37Å; G211-F213 PolarHBondContact O-N 2.82Å; G211-S226 WeakPolarHBondContact CA-OG 3.25Å; G211-S226 PolarHBondContact N-OG 3.32Å
212D92.4Very high94.9Very high38 Ų3857.1 Ų57.120%0.20328%0.281CS..  trans-8398.2170.7-175.611.5000109.7V57 D210 R214 S226V57-D212 HydrophobicContact CG1-CB 3.7Å; D210-D212 PolarHBondContact O-N 2.98Å; D210-D212 PolarHBondContact OD1-N 3.09Å; D212-R214 PolarHBondContact O-N 3.43Å; D212-R214 VanDerWaalsContact O-N 3.15Å; D212-R214 WeakPolarHBondContact OD1-CB 3.28Å; D212-R214 WeakPolarHBondContact OD1-CG 3.44Å; D212-R214 IonicContact OD1-CZ 3.25Å; D212-R214 PolarHBondContact OD1-N 2.83Å; D212-R214 IonicContact OD1-NE 3.57Å; D212-R214 PolarHBondContact OD1-NE 3.37Å; D212-R214 IonicContact OD1-NH2 3.6Å; D212-R214 PolarHBondContact OD1-NH2 3.23Å; D212-R214 IonicContact OD2-CZ 2.76Å; D212-R214 IonicContact OD2-NE 2.68Å; D212-R214 PolarHBondContact OD2-NE 2.93Å; D212-R214 IonicContact OD2-NH2 2.66Å; D212-R214 PolarHBondContact OD2-NH2 2.83Å; D212-S226 VanDerWaalsContact O-CB 3.29Å; D212-S226 WeakPolarHBondContact O-CB 3.45Å
213F92.8Very high94.9Very high23 Ų2357.8 Ų57.810%0.10128%0.284CS..  trans-79.59.7-174.6-53.7-34.6000113.8L62 G211 V215 A227 T230 S259 F260 L266L62-F213 HydrophobicContact CD1-CZ 4.41Å; L62-F213 HydrophobicContact CD2-CZ 4.45Å; G211-F213 WeakPolarHBondContact O-CD1 3.32Å; G211-F213 WeakPolarHBondContact O-CE1 3.37Å; G211-F213 PolarHBondContact O-N 2.82Å; F213-V215 PolarHBondContact O-N 2.91Å; F213-A227 HydrophobicContact CB-CB 3.89Å; F213-A227 VanDerWaalsContact CD1-CA 3.49Å; F213-A227 HydrophobicContact CD1-CB 3.87Å; F213-A227 HydrophobicContact CG-CB 4.09Å; F213-T230 HydrophobicContact CE1-CG2 4.18Å; F213-T230 WeakPolarHBondContact CE1-OG1 3.35Å; F213-T230 HydrophobicContact CZ-CG2 4.06Å; F213-S259 VanDerWaalsContact CD2-CB 3.42Å; F213-S259 WeakPolarHBondContact CD2-OG 3.38Å; F213-S259 WeakPolarHBondContact CE2-OG 3.47Å; F213-F260 VanDerWaalsContact O-CE1 3.31Å; F213-F260 WeakPolarHBondContact O-CE1 3.31Å; F213-L266 HydrophobicContact CD2-CD1 3.76Å; F213-L266 HydrophobicContact CD2-CG 4.33Å; F213-L266 HydrophobicContact CE2-CB 4.32Å; F213-L266 HydrophobicContact CE2-CD1 3.72Å; F213-L266 HydrophobicContact CE2-CG 3.82Å
214R90.8Very high94.9Very high195 Ų19554.3 Ų54.374%0.73627%0.266SS*.  trans-81.1119.8-177.3-66174.9-63.4176.13.1111D212D212-R214 PolarHBondContact O-N 3.43Å; D212-R214 VanDerWaalsContact O-N 3.15Å; D212-R214 WeakPolarHBondContact OD1-CB 3.28Å; D212-R214 WeakPolarHBondContact OD1-CG 3.44Å; D212-R214 IonicContact OD1-CZ 3.25Å; D212-R214 PolarHBondContact OD1-N 2.83Å; D212-R214 IonicContact OD1-NE 3.57Å; D212-R214 PolarHBondContact OD1-NE 3.37Å; D212-R214 IonicContact OD1-NH2 3.6Å; D212-R214 PolarHBondContact OD1-NH2 3.23Å; D212-R214 IonicContact OD2-CZ 2.76Å; D212-R214 IonicContact OD2-NE 2.68Å; D212-R214 PolarHBondContact OD2-NE 2.93Å; D212-R214 IonicContact OD2-NH2 2.66Å; D212-R214 PolarHBondContact OD2-NH2 2.83Å
215V91.7Very high94.8Very high23 Ų2351.3 Ų51.314%0.13926%0.257CS..  trans-132.7134.4167.2178.30000107.4F213 Q217 L219 Q220 I223 F260F213-V215 PolarHBondContact O-N 2.91Å; V215-Q217 PolarHBondContact O-N 2.86Å; V215-L219 HydrophobicContact CG1-CB 3.94Å; V215-Q220 HydrophobicContact CB-CG 4.01Å; V215-Q220 HydrophobicContact CG1-CG 4.1Å; V215-Q220 PolarHBondContact O-NE2 3.5Å; V215-I223 HydrophobicContact CG1-CB 4.33Å; V215-F260 HydrophobicContact CB-CZ 4.46Å; V215-F260 HydrophobicContact CG2-CZ 4.45Å
216P93.1Very high94.7Very high76 Ų7650.8 Ų50.849%0.49425%0.254SS..  trans-50.7136175.3-27.435.1000111.2I218 L219 Q220P216-I218 PolarHBondContact O-N 3.45Å; P216-I218 VanDerWaalsContact O-N 3.08Å; P216-L219 HydrophobicContact CB-CD1 4.34Å; P216-L219 HydrophobicContact CB-CG 4.37Å; P216-L219 HydrophobicContact CG-CD1 4.21Å; P216-L219 WeakPolarHBondContact O-CA 3.29Å; P216-L219 PolarHBondContact O-N 2.83Å; P216-Q220 PolarHBondContact O-N 3.38Å; P216-Q220 VanDerWaalsContact O-N 3.1Å
217Q91.6Very high94.7Very high152 Ų15250.6 Ų50.671%0.7125%0.253SS*.THydrogen-bonded Turntrans-56-36.5-169.3-67.979.12.300112.6V215 L219 Q220V215-Q217 PolarHBondContact O-N 2.86Å; Q217-L219 VanDerWaalsContact C-N 3.25Å; Q217-L219 PolarHBondContact O-N 2.89Å; Q217-Q220 PolarHBondContact O-N 2.92Å
218I95.6Very high94.7Very high140 Ų14048.9 Ų48.972%0.71824%0.241SC*.THydrogen-bonded Turntrans-68.9-22.8178.5-154.8166.5000113.4P216P216-I218 PolarHBondContact O-N 3.45Å; P216-I218 VanDerWaalsContact O-N 3.08Å
219L95.3Very high94.7Very high80 Ų8049.2 Ų49.242%0.41924%0.242SC..THydrogen-bonded Turntrans-98-18.1-179.1-62.2-177.1000113.1V215 P216 Q217 P221 F222 I223V215-L219 HydrophobicContact CG1-CB 3.94Å; P216-L219 HydrophobicContact CB-CD1 4.34Å; P216-L219 HydrophobicContact CB-CG 4.37Å; P216-L219 HydrophobicContact CG-CD1 4.21Å; P216-L219 WeakPolarHBondContact O-CA 3.29Å; P216-L219 PolarHBondContact O-N 2.83Å; Q217-L219 VanDerWaalsContact C-N 3.25Å; Q217-L219 PolarHBondContact O-N 2.89Å; L219-P221 VanDerWaalsContact C-N 3.28Å; L219-F222 PolarHBondContact O-N 2.86Å; L219-I223 HydrophobicContact CB-CG1 4.05Å; L219-I223 PolarHBondContact O-N 2.9Å
220Q93.6Very high94.7Very high54 Ų5449.2 Ų49.225%0.25224%0.243SC..THydrogen-bonded Turntrans-49.9-39.5178.6-72.7176.95.300114.1V215 P216 Q217 F222 F260V215-Q220 HydrophobicContact CB-CG 4.01Å; V215-Q220 HydrophobicContact CG1-CG 4.1Å; V215-Q220 PolarHBondContact O-NE2 3.5Å; P216-Q220 PolarHBondContact O-N 3.38Å; P216-Q220 VanDerWaalsContact O-N 3.1Å; Q217-Q220 PolarHBondContact O-N 2.92Å; Q220-F222 PolarHBondContact O-N 3.03Å; Q220-F260 HydrophobicContact CB-CE2 4.01Å; Q220-F260 HydrophobicContact CG-CD2 4.43Å; Q220-F260 HydrophobicContact CG-CE2 3.91Å; Q220-F260 HydrophobicContact CG-CZ 4.03Å
221P93.8Very high94.9Very high54 Ų5448.7 Ų48.735%0.35124%0.24SC..THydrogen-bonded Turntrans-67.1-22.4179.4-22.635000114L219 T245 R249L219-P221 VanDerWaalsContact C-N 3.28Å; P221-T245 PolarHBondContact O-OG1 3.13Å; P221-R249 PolarHBondContact O-NE 2.95Å; P221-R249 PolarHBondContact O-NH2 3.39Å
222F96.6Very high95.2Very high127 Ų12748.6 Ų48.656%0.55724%0.239SC*.THydrogen-bonded Turntrans-110.4-32.6-166.9-55.5-72.4000113.6L219 Q220 F244 T245L219-F222 PolarHBondContact O-N 2.86Å; Q220-F222 PolarHBondContact O-N 3.03Å; F222-F244 CarbonylContact O-C 3.55Å; F222-F244 WeakPolarHBondContact O-CA 3.49Å; F222-T245 PolarHBondContact O-N 2.58Å
223I97.3Very high95.5Very high34 Ų3446.8 Ų46.817%0.17423%0.23CC..BIsolated β-bridgetrans-95.6124.6-173.3-62.7-62.7000111.3W204 V215 L219 G225 H228 F244W204-I223 HydrophobicContact CH2-CG2 3.67Å; W204-I223 HydrophobicContact CZ2-CG2 4.09Å; V215-I223 HydrophobicContact CG1-CB 4.33Å; L219-I223 HydrophobicContact CB-CG1 4.05Å; L219-I223 PolarHBondContact O-N 2.9Å; I223-G225 PolarHBondContact O-N 2.93Å; I223-H228 PolarHBondContact O-CE1 2.91Å; I223-H228 PolarHBondContact O-ND1 3.43Å; I223-F244 HydrophobicContact CD1-CD1 4.07Å; I223-F244 HydrophobicContact CD1-CE1 4.04Å
224N97.1Very high95.6Very high0 Ų047.5 Ų47.50%023%0.234CC..  trans-85.686.2169.1-169.5-23.5000109.2W204 H228 G241 Y243 T245 D248W204-N224 WeakPolarHBondContact CZ2-O 3.41Å; N224-H228 WeakPolarHBondContact OD1-CB 3.3Å; N224-G241 PolarHBondContact ND2-N 3.13Å; N224-G241 PolarHBondContact ND2-O 2.86Å; N224-Y243 PolarHBondContact N-O 3.32Å; N224-T245 HydrophobicContact CB-CG2 4.39Å; N224-D248 PolarHBondContact ND2-OD2 2.81Å
225G96.4Very high95.8Very high6 Ų642 Ų426%0.06222%0.215CC..  trans-97.9-169.7179.700000114.6I223 A227 H228 H229I223-G225 PolarHBondContact O-N 2.93Å; G225-A227 PolarHBondContact O-N 3.42Å; G225-H228 WeakPolarHBondContact O-CB 3.49Å; G225-H228 PolarHBondContact O-N 2.73Å; G225-H229 PolarHBondContact O-N 3.43Å; G225-H229 VanDerWaalsContact O-N 3.12Å
226S96.5Very high95.9Very high7 Ų743.3 Ų43.35%0.04922%0.219CC..Hα-helixtrans-49.9-36.6-178-160.20000114.5S207 I208 D210 G211 D212 T230S207-S226 PolarHBondContact O-OG 3.29Å; I208-S226 WeakPolarHBondContact O-CA 3.2Å; D210-S226 WeakPolarHBondContact OD1-CB 3.37Å; D210-S226 PolarHBondContact OD1-OG 2.94Å; G211-S226 WeakPolarHBondContact CA-OG 3.25Å; G211-S226 PolarHBondContact N-OG 3.32Å; D212-S226 VanDerWaalsContact O-CB 3.29Å; D212-S226 WeakPolarHBondContact O-CB 3.45Å; S226-T230 VanDerWaalsContact O-CB 3.28Å; S226-T230 WeakPolarHBondContact O-CB 3.17Å; S226-T230 PolarHBondContact O-N 3.43Å; S226-T230 PolarHBondContact O-OG1 2.82Å
227A96.6Very high95.9Very high0 Ų044.7 Ų44.70%022%0.222CC..Hα-helixtrans-65-44.1177.100000113.1F213 G225 D231 P257 F260F213-A227 HydrophobicContact CB-CB 3.89Å; F213-A227 VanDerWaalsContact CD1-CA 3.49Å; F213-A227 HydrophobicContact CD1-CB 3.87Å; F213-A227 HydrophobicContact CG-CB 4.09Å; G225-A227 PolarHBondContact O-N 3.42Å; A227-D231 PolarHBondContact O-N 2.84Å; A227-P257 HydrophobicContact CB-CB 3.72Å; A227-P257 HydrophobicContact CB-CG 4.09Å; A227-F260 HydrophobicContact CB-CD1 4.23Å; A227-F260 HydrophobicContact CB-CE1 3.56Å; A227-F260 HydrophobicContact CB-CZ 3.87Å
228H97.9Very high96.2Very high1 Ų141.9 Ų41.91%0.00521%0.206CC..Hα-helixtrans-67.9-43.8178.9-67.887.3000110.5I223 N224 G225 D231 H232 N239 F254 P257 F260I223-H228 PolarHBondContact O-CE1 2.91Å; I223-H228 PolarHBondContact O-ND1 3.43Å; N224-H228 WeakPolarHBondContact OD1-CB 3.3Å; G225-H228 WeakPolarHBondContact O-CB 3.49Å; G225-H228 PolarHBondContact O-N 2.73Å; H228-D231 PolarHBondContact O-N 3.47Å; H228-H232 PolarHBondContact O-N 3.36Å; H228-N239 HydrophobicContact CB-CB 4.15Å; H228-F254 AromaticContact NE2-CE2 3.82Å; H228-P257 HydrophobicContact CB-CG 4.18Å; H228-P257 WeakPolarHBondContact CD2-CG 3.25Å; H228-P257 VanDerWaalsContact CG-CG 3.4Å; H228-P257 WeakPolarHBondContact NE2-CD 3.28Å; H228-P257 WeakPolarHBondContact NE2-CG 3.32Å; H228-F260 AromaticContact CE1-CE2 3.7Å
229H97.6Very high96.3Very high8 Ų835.2 Ų35.24%0.03717%0.172CC..Hα-helixtrans-71.1-36.4-178.5-164.368.8000112.6I208 H209 G225 D231 H232 H233I208-H229 HydrophobicContact CB-CB 4.07Å; I208-H229 WeakPolarHBondContact O-CB 3.46Å; I208-H229 PolarHBondContact O-CD2 2.8Å; H209-H229 AromaticContact CD2-CD2 3.8Å; H209-H229 AromaticContact CD2-NE2 3.71Å; H209-H229 AromaticContact CE1-CD2 3.62Å; H209-H229 AromaticContact CE1-NE2 3.2Å; H209-H229 PolarHBondContact CE1-NE2 3.44Å; H209-H229 AromaticContact ND1-CD2 3.99Å; H209-H229 AromaticContact NE2-CD2 3.54Å; H209-H229 AromaticContact NE2-NE2 3Å; H209-H229 PolarHBondContact NE2-NE2 3.31Å; G225-H229 PolarHBondContact O-N 3.43Å; G225-H229 VanDerWaalsContact O-N 3.12Å; H229-D231 PolarHBondContact O-N 2.9Å; H229-H232 WeakPolarHBondContact O-CA 3.18Å; H229-H232 VanDerWaalsContact O-CB 3.25Å; H229-H232 WeakPolarHBondContact O-CB 3.4Å; H229-H232 PolarHBondContact O-N 2.86Å; H229-H232 VanDerWaalsContact O-N 3.15Å; H229-H233 AromaticContact CD2-CD2 3.54Å; H229-H233 AromaticContact CD2-NE2 3.56Å; H229-H233 AromaticContact CE1-NE2 3.83Å; H229-H233 AromaticContact NE2-CD2 3.4Å; H229-H233 PolarHBondContact NE2-CD2 3.02Å; H229-H233 AromaticContact NE2-NE2 2.99Å; H229-H233 PolarHBondContact NE2-NE2 3.1Å; H229-H233 PolarHBondContact O-CD2 3.18Å; H229-H233 VanDerWaalsContact O-CD2 3.28Å; H229-H233 PolarHBondContact O-N 2.95Å
230T97.3Very high96.4Very high2 Ų232 Ų321%0.01215%0.154CC..Hα-helixtrans-62.9-43.2172.4-620000111.3F213 S226 H232 H233 M234 P265F213-T230 HydrophobicContact CE1-CG2 4.18Å; F213-T230 WeakPolarHBondContact CE1-OG1 3.35Å; F213-T230 HydrophobicContact CZ-CG2 4.06Å; S226-T230 VanDerWaalsContact O-CB 3.28Å; S226-T230 WeakPolarHBondContact O-CB 3.17Å; S226-T230 PolarHBondContact O-N 3.43Å; S226-T230 PolarHBondContact O-OG1 2.82Å; T230-H232 VanDerWaalsContact C-N 3.26Å; T230-H232 PolarHBondContact O-N 3.23Å; T230-H233 PolarHBondContact O-N 3.43Å; T230-M234 VanDerWaalsContact O-CG 3.27Å; T230-M234 WeakPolarHBondContact O-CG 3.25Å; T230-M234 PolarHBondContact O-N 3.31Å; T230-M234 VanDerWaalsContact O-N 3.11Å; T230-P265 HydrophobicContact CG2-CG 3.92Å
231D97.1Very high96.6Very high1 Ų129.5 Ų29.51%0.00514%0.143CC..Hα-helixtrans-62.4-35.7173.1-91.520.4000112A227 H228 H229 M234 F235 P257 S258A227-D231 PolarHBondContact O-N 2.84Å; H228-D231 PolarHBondContact O-N 3.47Å; H229-D231 PolarHBondContact O-N 2.9Å; D231-M234 PolarHBondContact O-N 3.43Å; D231-F235 HydrophobicContact CB-CD2 3.93Å; D231-F235 HydrophobicContact CB-CE2 4.07Å; D231-F235 WeakPolarHBondContact O-CB 3.49Å; D231-F235 WeakPolarHBondContact O-CD2 3.48Å; D231-F235 PolarHBondContact O-N 2.88Å; D231-P257 WeakPolarHBondContact OD2-CA 3.49Å; D231-S258 PolarHBondContact OD1-OG 2.7Å; D231-S258 WeakPolarHBondContact OD2-CB 3.4Å; D231-S258 PolarHBondContact OD2-N 3.25Å; D231-S258 PolarHBondContact OD2-OG 3.02Å
232H98.2Very high96.7Very high0 Ų027.4 Ų27.40%013%0.128CC..Hα-helixtrans-60-46.1172.5174.170000112H138 H142 H155 H228 H229 T230 M234 F236 Y238 N239 Y240H138-H232 AromaticContact CE1-CD2 3.68Å; H138-H232 AromaticContact CE1-CE1 3.76Å; H138-H232 AromaticContact CE1-NE2 3.25Å; H138-H232 PolarHBondContact CE1-NE2 2.91Å; H138-H232 VanDerWaalsContact CE1-NE2 3.25Å; H138-H232 AromaticContact NE2-CD2 3.83Å; H138-H232 AromaticContact NE2-CE1 3.62Å; H138-H232 AromaticContact NE2-NE2 2.99Å; H138-H232 PolarHBondContact NE2-NE2 3.28Å; H142-H232 AromaticContact CD2-CE1 3.84Å; H142-H232 AromaticContact CE1-CE1 3.42Å; H142-H232 PolarHBondContact CE1-CE1 3.14Å; H142-H232 VanDerWaalsContact CE1-CE1 3.42Å; H142-H232 AromaticContact CE1-NE2 3.52Å; H142-H232 AromaticContact NE2-CE1 2.99Å; H142-H232 PolarHBondContact NE2-CE1 2.75Å; H142-H232 AromaticContact NE2-NE2 2.99Å; H142-H232 PolarHBondContact NE2-NE2 3.03Å; H155-H232 AromaticContact CE1-CD2 3.42Å; H155-H232 PolarHBondContact CE1-CD2 3.1Å; H155-H232 VanDerWaalsContact CE1-CD2 3.42Å; H155-H232 AromaticContact CE1-CE1 3.95Å; H155-H232 AromaticContact CE1-NE2 3.08Å; H155-H232 PolarHBondContact CE1-NE2 3.09Å; H155-H232 AromaticContact NE2-CD2 3.83Å; H155-H232 AromaticContact NE2-NE2 3.15Å; H155-H232 PolarHBondContact NE2-NE2 2.89Å; H155-H232 VanDerWaalsContact NE2-NE2 3.15Å; H228-H232 PolarHBondContact O-N 3.36Å; H229-H232 WeakPolarHBondContact O-CA 3.18Å; H229-H232 VanDerWaalsContact O-CB 3.25Å; H229-H232 WeakPolarHBondContact O-CB 3.4Å; H229-H232 PolarHBondContact O-N 2.86Å; H229-H232 VanDerWaalsContact O-N 3.15Å; T230-H232 VanDerWaalsContact C-N 3.26Å; T230-H232 PolarHBondContact O-N 3.23Å; H232-M234 PolarHBondContact O-N 2.86Å; H232-F236 PolarHBondContact CE1-O 2.96Å; H232-F236 VanDerWaalsContact CE1-O 3.28Å; H232-F236 PolarHBondContact ND1-O 2.81Å; H232-F236 WeakPolarHBondContact O-CA 3.42Å; H232-F236 PolarHBondContact O-N 3.47Å; H232-Y238 WeakPolarHBondContact CB-O 3.3Å; H232-Y238 PolarHBondContact ND1-O 3Å; H232-N239 HydrophobicContact CB-CB 4.41Å; H232-Y240 AromaticContact CE1-CD1 3.48Å; H232-Y240 VanDerWaalsContact CE1-CD1 3.48Å; H232-Y240 WeakPolarHBondContact CE1-CD1 3.06Å; H232-Y240 AromaticContact CE1-CE1 3.58Å
233H97.6Very high96.7Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-62.6-27.1174.3-84.3-87.3000113.8H154 H155 W157 H209 H229 T230 F236H154-H233 AromaticContact CD2-CE1 3.48Å; H154-H233 PolarHBondContact CD2-CE1 3.48Å; H154-H233 VanDerWaalsContact CD2-CE1 3.48Å; H154-H233 AromaticContact CD2-NE2 3.98Å; H154-H233 AromaticContact CE1-CE1 3.62Å; H154-H233 AromaticContact CE1-NE2 3.87Å; H154-H233 AromaticContact NE2-CE1 3.12Å; H154-H233 PolarHBondContact NE2-CE1 3.08Å; H154-H233 AromaticContact NE2-NE2 3.25Å; H154-H233 PolarHBondContact NE2-NE2 2.82Å; H155-H233 AromaticContact ND1-ND1 3.93Å; W157-H233 PolarHBondContact O-ND1 3.31Å; H209-H233 AromaticContact CD2-NE2 3.82Å; H209-H233 AromaticContact NE2-NE2 3.57Å; H229-H233 AromaticContact CD2-CD2 3.54Å; H229-H233 AromaticContact CD2-NE2 3.56Å; H229-H233 AromaticContact CE1-NE2 3.83Å; H229-H233 AromaticContact NE2-CD2 3.4Å; H229-H233 PolarHBondContact NE2-CD2 3.02Å; H229-H233 AromaticContact NE2-NE2 2.99Å; H229-H233 PolarHBondContact NE2-NE2 3.1Å; H229-H233 PolarHBondContact O-CD2 3.18Å; H229-H233 VanDerWaalsContact O-CD2 3.28Å; H229-H233 PolarHBondContact O-N 2.95Å; T230-H233 PolarHBondContact O-N 3.43Å; H233-F236 VanDerWaalsContact O-CE1 3.29Å; H233-F236 WeakPolarHBondContact O-CE1 3.33Å; H233-F236 WeakPolarHBondContact O-CZ 3.5Å
234M96Very high96.7Very high38 Ų3822.4 Ų22.419%0.18711%0.105CC..Hα-helixtrans-86.9-39.5-178.5-69.7-75-72.300113.1Q67 K158 I159 T230 D231 H232 F236Q67-M234 PolarHBondContact OE1-SD 3.39Å; K158-M234 HydrophobicContact CB-SD 3.9Å; I159-M234 HydrophobicContact CD1-CE 4.36Å; I159-M234 HydrophobicContact CD1-CG 4.42Å; I159-M234 HydrophobicContact CD1-SD 3.63Å; T230-M234 VanDerWaalsContact O-CG 3.27Å; T230-M234 WeakPolarHBondContact O-CG 3.25Å; T230-M234 PolarHBondContact O-N 3.31Å; T230-M234 VanDerWaalsContact O-N 3.11Å; D231-M234 PolarHBondContact O-N 3.43Å; H232-M234 PolarHBondContact O-N 2.86Å; M234-F236 WeakPolarHBondContact O-CE2 3.21Å
235F95.2Very high96.8Very high78 Ų7822.5 Ų22.534%0.34211%0.105SC..Hα-helixtrans-110.1-14.5-171.7-57.1-56.8000114.4D231 D237 Y238 K255D231-F235 HydrophobicContact CB-CD2 3.93Å; D231-F235 HydrophobicContact CB-CE2 4.07Å; D231-F235 WeakPolarHBondContact O-CB 3.49Å; D231-F235 WeakPolarHBondContact O-CD2 3.48Å; D231-F235 PolarHBondContact O-N 2.88Å; F235-D237 PolarHBondContact O-N 3.4Å; F235-Y238 HydrophobicContact CB-CD2 3.96Å; F235-Y238 HydrophobicContact CB-CE2 4.4Å; F235-K255 HydrophobicContact CD2-CD 4.45Å
236F92.7Very high96.9Very high52 Ų5225.3 Ų25.323%0.22812%0.118CC..SBendtrans65.8-40.7176-47.7-77.7000116.4H155 H232 H233 M234 Y238 Y240H155-F236 HydrophobicContact CB-CD1 4.23Å; H155-F236 HydrophobicContact CB-CE1 3.87Å; H155-F236 AromaticContact CG-CD1 3.87Å; H155-F236 AromaticContact CG-CE1 3.92Å; H155-F236 AromaticContact ND1-CD1 3.3Å; H155-F236 VanDerWaalsContact ND1-CD1 3.3Å; H155-F236 WeakPolarHBondContact ND1-CD1 3.45Å; H155-F236 AromaticContact ND1-CE1 3.43Å; H155-F236 WeakPolarHBondContact ND1-CE1 3.48Å; H232-F236 PolarHBondContact CE1-O 2.96Å; H232-F236 VanDerWaalsContact CE1-O 3.28Å; H232-F236 PolarHBondContact ND1-O 2.81Å; H232-F236 WeakPolarHBondContact O-CA 3.42Å; H232-F236 PolarHBondContact O-N 3.47Å; H233-F236 VanDerWaalsContact O-CE1 3.29Å; H233-F236 WeakPolarHBondContact O-CE1 3.33Å; H233-F236 WeakPolarHBondContact O-CZ 3.5Å; M234-F236 WeakPolarHBondContact O-CE2 3.21Å; F236-Y238 PolarHBondContact O-N 2.91Å; F236-Y240 WeakPolarHBondContact O-CE1 3.4Å; F236-Y240 PolarHBondContact O-OH 2.99Å
237D93.8Very high96.9Very high105 Ų10527.1 Ų27.156%0.56112%0.124SC*.SBendtrans-88.71.8-166.1-68.4-46.3000115.2F235 Y240F235-D237 PolarHBondContact O-N 3.4Å; D237-Y240 VanDerWaalsContact CA-OH 3.22Å; D237-Y240 WeakPolarHBondContact CA-OH 3.43Å; D237-Y240 WeakPolarHBondContact O-CE2 3.33Å; D237-Y240 PolarHBondContact O-OH 3.34Å; D237-Y240 VanDerWaalsContact O-OH 3.1Å
238Y97.1Very high97Very high92 Ų9227.1 Ų27.136%0.36112%0.124SC..SBendtrans-134.1158.9-169.5-54.3-76.8000113H232 F235 F236 S253 K255H232-Y238 WeakPolarHBondContact CB-O 3.3Å; H232-Y238 PolarHBondContact ND1-O 3Å; F235-Y238 HydrophobicContact CB-CD2 3.96Å; F235-Y238 HydrophobicContact CB-CE2 4.4Å; F236-Y238 PolarHBondContact O-N 2.91Å; Y238-S253 CarbonylContact C-O 3.53Å; Y238-S253 WeakPolarHBondContact CA-O 3.43Å; Y238-S253 WeakPolarHBondContact CB-O 3.26Å; Y238-K255 HydrophobicContact CD1-CB 3.83Å; Y238-K255 HydrophobicContact CD1-CD 4.27Å; Y238-K255 HydrophobicContact CD2-CB 4.43Å; Y238-K255 HydrophobicContact CD2-CD 3.63Å; Y238-K255 HydrophobicContact CE2-CD 3.96Å; Y238-K255 HydrophobicContact CG-CB 3.72Å; Y238-K255 HydrophobicContact CG-CD 3.8Å; Y238-K255 HydrophobicContact CG-CG 4.41Å
239N98.1Very high97Very high0 Ų032.6 Ų32.60%015%0.145CC..  trans59.254.7168.9-58.6-28000115H228 H232 D248 S253 K255H228-N239 HydrophobicContact CB-CB 4.15Å; H232-N239 HydrophobicContact CB-CB 4.41Å; N239-D248 VanDerWaalsContact CA-CG 3.46Å; N239-D248 VanDerWaalsContact CA-OD1 3.24Å; N239-D248 WeakPolarHBondContact CA-OD1 3.23Å; N239-D248 WeakPolarHBondContact CA-OD2 3.39Å; N239-D248 PolarHBondContact N-OD1 3.06Å; N239-S253 PolarHBondContact N-O 2.93Å; N239-K255 PolarHBondContact ND2-O 2.78Å; N239-K255 PolarHBondContact OD1-N 3.19Å; N239-K255 PolarHBondContact OD1-O 3.17Å
240Y98.1Very high97.1Very high13 Ų1337.3 Ų37.35%0.05117%0.169CC..  trans-80.3-13.5-178.9-54.3-81.5000114.7Y135 H138 R139 H142 H232 F236 D237 D248 S253Y135-Y240 HydrophobicContact CE2-CD2 4.09Å; Y135-Y240 HydrophobicContact CE2-CG 4.46Å; H138-Y240 PolarHBondContact ND1-O 2.98Å; R139-Y240 HydrophobicContact CB-CD1 4.37Å; R139-Y240 HydrophobicContact CB-CD2 4.21Å; R139-Y240 HydrophobicContact CB-CG 4.12Å; R139-Y240 HydrophobicContact CG-CD2 4.18Å; R139-Y240 HydrophobicContact CG-CE2 4.06Å; H142-Y240 HydrophobicContact CB-CE1 3.97Å; H142-Y240 AromaticContact CD2-CD1 3.66Å; H142-Y240 AromaticContact CD2-CE1 3.32Å; H142-Y240 WeakPolarHBondContact CD2-CE1 3.34Å; H142-Y240 AromaticContact CG-CE1 3.63Å; H142-Y240 AromaticContact NE2-CE1 3.83Å; H232-Y240 AromaticContact CE1-CD1 3.48Å; H232-Y240 VanDerWaalsContact CE1-CD1 3.48Å; H232-Y240 WeakPolarHBondContact CE1-CD1 3.06Å; H232-Y240 AromaticContact CE1-CE1 3.58Å; F236-Y240 WeakPolarHBondContact O-CE1 3.4Å; F236-Y240 PolarHBondContact O-OH 2.99Å; D237-Y240 VanDerWaalsContact CA-OH 3.22Å; D237-Y240 WeakPolarHBondContact CA-OH 3.43Å; D237-Y240 WeakPolarHBondContact O-CE2 3.33Å; D237-Y240 PolarHBondContact O-OH 3.34Å; D237-Y240 VanDerWaalsContact O-OH 3.1Å; Y240-D248 VanDerWaalsContact N-CG 3.33Å; Y240-D248 PolarHBondContact N-OD1 3.34Å; Y240-D248 PolarHBondContact N-OD2 3.46Å; Y240-D248 VanDerWaalsContact N-OD2 3.15Å; Y240-S253 WeakPolarHBondContact CD2-OG 3.37Å
241G97Very high97.1Very high1 Ų138 Ų381%0.0118%0.177CC..  trans-60.8156.4-177.200000113.1N224 D248N224-G241 PolarHBondContact ND2-N 3.13Å; N224-G241 PolarHBondContact ND2-O 2.86Å; G241-D248 WeakPolarHBondContact CA-OD2 3.39Å; G241-D248 PolarHBondContact N-OD2 2.96Å
242Q96.1Very high97.1Very high10 Ų1041.1 Ų41.15%0.04721%0.21CC..SBendtrans-90-55.3-177.9179.966.4-3.700111D131 I134 Y180 W204 T205D131-Q242 PolarHBondContact OD1-N 3.34Å; D131-Q242 VanDerWaalsContact OD1-N 3.15Å; I134-Q242 HydrophobicContact CB-CB 4.32Å; I134-Q242 HydrophobicContact CD1-CB 4.36Å; I134-Q242 HydrophobicContact CD1-CG 4.16Å; I134-Q242 HydrophobicContact CG2-CB 3.91Å; I134-Q242 HydrophobicContact CG2-CG 4.46Å; Y180-Q242 PolarHBondContact OH-NE2 3.34Å; W204-Q242 PolarHBondContact NE1-O 3.08Å; T205-Q242 PolarHBondContact OG1-NE2 2.94Å; T205-Q242 VanDerWaalsContact OG1-NE2 3.11Å
243Y97Very high97.1Very high13 Ų1341.3 Ų41.35%0.05121%0.211CC..SBendtrans-112.2-39.2-177.9-44.2-72000112.2L127 D131 Y180 V201 W204 N224L127-Y243 HydrophobicContact CD2-CE2 4.29Å; D131-Y243 HydrophobicContact CB-CD2 3.89Å; D131-Y243 HydrophobicContact CB-CE2 4.46Å; D131-Y243 PolarHBondContact OD1-N 3.16Å; Y180-Y243 WeakPolarHBondContact CE1-OH 3.16Å; Y180-Y243 VanDerWaalsContact CZ-OH 3.3Å; Y180-Y243 PolarHBondContact OH-OH 3.28Å; V201-Y243 HydrophobicContact CG1-CE1 4.48Å; V201-Y243 WeakPolarHBondContact CG1-OH 3.4Å; W204-Y243 HydrophobicContact CB-CD1 4.49Å; W204-Y243 HydrophobicContact CB-CE1 4.13Å; W204-Y243 AromaticContact CD1-CD1 3.36Å; W204-Y243 AromaticContact CD1-CE1 3.46Å; W204-Y243 VanDerWaalsContact CD1-CE1 3.46Å; W204-Y243 AromaticContact CD2-CD1 3.77Å; W204-Y243 HydrophobicContact CD2-CD1 3.77Å; W204-Y243 HydrophobicContact CD2-CE1 4.29Å; W204-Y243 AromaticContact CE2-CD1 3.6Å; W204-Y243 AromaticContact CG-CD1 3.63Å; W204-Y243 HydrophobicContact CG-CD1 3.63Å; W204-Y243 AromaticContact CG-CE1 3.67Å; W204-Y243 HydrophobicContact CG-CE1 3.67Å; W204-Y243 HydrophobicContact CZ2-CD1 4.33Å; W204-Y243 AromaticContact NE1-CD1 3.34Å; W204-Y243 VanDerWaalsContact NE1-CD1 3.34Å; W204-Y243 AromaticContact NE1-CE1 3.94Å; N224-Y243 PolarHBondContact N-O 3.32Å
244F98.3Very high97.1Very high43 Ų4344 Ų4419%0.18922%0.222CC..BIsolated β-bridgetrans-116.7152.4-171.7-52.5-68.1000112.1L127 D131 F222 I223 L246L127-F244 HydrophobicContact CB-CE2 4.37Å; D131-F244 HydrophobicContact CB-CD2 4.21Å; D131-F244 PolarHBondContact OD1-N 2.92Å; D131-F244 WeakPolarHBondContact OD2-CB 3.27Å; F222-F244 CarbonylContact O-C 3.55Å; F222-F244 WeakPolarHBondContact O-CA 3.49Å; I223-F244 HydrophobicContact CD1-CD1 4.07Å; I223-F244 HydrophobicContact CD1-CE1 4.04Å; F244-L246 HydrophobicContact CB-CB 4.21Å; F244-L246 PolarHBondContact O-N 3.39Å
245T98Very high97.1Very high2 Ų245.3 Ų45.31%0.01223%0.227CC..SBendtrans-79.7-4172.465.90000112.3P221 F222 N224 W247 D248 R249 F254P221-T245 PolarHBondContact O-OG1 3.13Å; F222-T245 PolarHBondContact O-N 2.58Å; N224-T245 HydrophobicContact CB-CG2 4.39Å; T245-W247 PolarHBondContact O-N 3.25Å; T245-D248 WeakPolarHBondContact O-CB 3.44Å; T245-D248 PolarHBondContact O-N 3.21Å; T245-R249 WeakPolarHBondContact O-CG 3.31Å; T245-R249 PolarHBondContact O-N 3.33Å; T245-R249 PolarHBondContact OG1-NE 3.28Å; T245-F254 HydrophobicContact CG2-CD2 4.17Å; T245-F254 HydrophobicContact CG2-CE2 3.78Å
246L98.2Very high97.2Very high65 Ų6544.8 Ų44.834%0.3423%0.228SC..Hα-helixtrans-55.8-53.7-172.2176.362.1000112.1F128 F244 D248 R249 I250F128-L246 HydrophobicContact CD1-CD2 4.18Å; F128-L246 HydrophobicContact CE1-CD2 3.75Å; F244-L246 HydrophobicContact CB-CB 4.21Å; F244-L246 PolarHBondContact O-N 3.39Å; L246-D248 VanDerWaalsContact C-N 3.33Å; L246-D248 PolarHBondContact O-N 3.36Å; L246-R249 WeakPolarHBondContact O-CB 3.37Å; L246-R249 PolarHBondContact O-N 2.88Å; L246-I250 HydrophobicContact CD1-CD1 3.8Å; L246-I250 HydrophobicContact CD1-CG1 4.32Å; L246-I250 HydrophobicContact CG-CD1 3.9Å; L246-I250 WeakPolarHBondContact O-CG1 3.09Å; L246-I250 PolarHBondContact O-N 3.45Å
247W98.1Very high97.4Very high45 Ų4542.3 Ų42.317%0.1722%0.217CC..Hα-helixtrans-71.9-29.4-177-65106.2000112.9M132 Y135 T245 R249 I250 G251M132-W247 VanDerWaalsContact CA-NE1 3.3Å; M132-W247 HydrophobicContact CB-CD2 4.13Å; M132-W247 HydrophobicContact CB-CH2 4.16Å; M132-W247 HydrophobicContact CB-CZ2 3.41Å; M132-W247 VanDerWaalsContact CB-CZ2 3.41Å; M132-W247 HydrophobicContact CG-CD2 3.96Å; M132-W247 HydrophobicContact CG-CE3 4.12Å; M132-W247 HydrophobicContact CG-CH2 3.49Å; M132-W247 VanDerWaalsContact CG-CH2 3.49Å; M132-W247 HydrophobicContact CG-CZ2 3.29Å; M132-W247 HydrophobicContact CG-CZ3 3.9Å; M132-W247 HydrophobicContact SD-CH2 3.34Å; M132-W247 WeakPolarHBondContact SD-CH2 3.25Å; M132-W247 HydrophobicContact SD-CZ2 3.51Å; M132-W247 VanDerWaalsContact SD-CZ2 3.51Å; M132-W247 HydrophobicContact SD-CZ3 4.08Å; Y135-W247 HydrophobicContact CD1-CB 3.66Å; Y135-W247 HydrophobicContact CD1-CG 4.44Å; Y135-W247 HydrophobicContact CD2-CB 3.65Å; Y135-W247 HydrophobicContact CE1-CB 4.17Å; Y135-W247 HydrophobicContact CE2-CB 4.15Å; Y135-W247 HydrophobicContact CG-CB 3.38Å; Y135-W247 HydrophobicContact CG-CG 4.26Å; Y135-W247 VanDerWaalsContact CZ-O 3.29Å; Y135-W247 PolarHBondContact OH-O 3.43Å; T245-W247 PolarHBondContact O-N 3.25Å; W247-R249 VanDerWaalsContact C-N 3.32Å; W247-I250 HydrophobicContact CE3-CD1 4.05Å; W247-I250 HydrophobicContact CZ3-CD1 4.12Å; W247-I250 PolarHBondContact O-N 2.92Å; W247-G251 WeakPolarHBondContact O-CA 3.41Å; W247-G251 PolarHBondContact O-N 3.47Å
248D98.4Very high97.5Very high0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-63.4-39.3169.5-80.7-63.4000112.3Y135 N224 N239 Y240 G241 T245 L246 G252 S253 F254Y135-D248 HydrophobicContact CE2-CB 4.44Å; Y135-D248 WeakPolarHBondContact CE2-OD1 3.44Å; N224-D248 PolarHBondContact ND2-OD2 2.81Å; N239-D248 VanDerWaalsContact CA-CG 3.46Å; N239-D248 VanDerWaalsContact CA-OD1 3.24Å; N239-D248 WeakPolarHBondContact CA-OD1 3.23Å; N239-D248 WeakPolarHBondContact CA-OD2 3.39Å; N239-D248 PolarHBondContact N-OD1 3.06Å; Y240-D248 VanDerWaalsContact N-CG 3.33Å; Y240-D248 PolarHBondContact N-OD1 3.34Å; Y240-D248 PolarHBondContact N-OD2 3.46Å; Y240-D248 VanDerWaalsContact N-OD2 3.15Å; G241-D248 WeakPolarHBondContact CA-OD2 3.39Å; G241-D248 PolarHBondContact N-OD2 2.96Å; T245-D248 WeakPolarHBondContact O-CB 3.44Å; T245-D248 PolarHBondContact O-N 3.21Å; L246-D248 VanDerWaalsContact C-N 3.33Å; L246-D248 PolarHBondContact O-N 3.36Å; D248-G252 CarbonylContact O-C 3.55Å; D248-G252 PolarHBondContact O-N 2.97Å; D248-S253 WeakPolarHBondContact CA-OG 3.37Å; D248-S253 PolarHBondContact O-N 3.49Å; D248-S253 PolarHBondContact OD1-OG 3.39Å; D248-F254 HydrophobicContact CB-CB 3.94Å; D248-F254 PolarHBondContact O-N 3.06Å
249R98.1Very high97.3Very high116 Ų11634.8 Ų34.844%0.43819%0.186SC..Hα-helixtrans-68.5-46.2176-69.3173.9-176.5-71.60.3111.5P221 T245 L246 W247 G252 F254P221-R249 PolarHBondContact O-NE 2.95Å; P221-R249 PolarHBondContact O-NH2 3.39Å; T245-R249 WeakPolarHBondContact O-CG 3.31Å; T245-R249 PolarHBondContact O-N 3.33Å; T245-R249 PolarHBondContact OG1-NE 3.28Å; L246-R249 WeakPolarHBondContact O-CB 3.37Å; L246-R249 PolarHBondContact O-N 2.88Å; W247-R249 VanDerWaalsContact C-N 3.32Å; R249-G252 PolarHBondContact O-N 3.28Å; R249-F254 HydrophobicContact CG-CB 3.81Å; R249-F254 HydrophobicContact CG-CD1 4.41Å; R249-F254 HydrophobicContact CG-CD2 4.16Å; R249-F254 HydrophobicContact CG-CG 3.85Å
250I98.1Very high97.1Very high107 Ų10737.1 Ų37.155%0.54920%0.197SC..Hα-helixtrans-63.2-44.2178-67.4169.8000110.5L246 W247 G252L246-I250 HydrophobicContact CD1-CD1 3.8Å; L246-I250 HydrophobicContact CD1-CG1 4.32Å; L246-I250 HydrophobicContact CG-CD1 3.9Å; L246-I250 WeakPolarHBondContact O-CG1 3.09Å; L246-I250 PolarHBondContact O-N 3.45Å; W247-I250 HydrophobicContact CE3-CD1 4.05Å; W247-I250 HydrophobicContact CZ3-CD1 4.12Å; W247-I250 PolarHBondContact O-N 2.92Å; I250-G252 VanDerWaalsContact C-N 3.3Å; I250-G252 PolarHBondContact O-N 3.27Å
251G97.1Very high96.9Very high17 Ų1741.4 Ų41.418%0.17522%0.217CC..THydrogen-bonded Turntrans-83.40.3-177.700000114.9Y135 R139 W247 S253Y135-G251 WeakPolarHBondContact OH-CA 3.34Å; R139-G251 PolarHBondContact NH1-O 3.2Å; R139-G251 PolarHBondContact NH2-O 2.99Å; W247-G251 WeakPolarHBondContact O-CA 3.41Å; W247-G251 PolarHBondContact O-N 3.47Å; G251-S253 VanDerWaalsContact C-N 3.33Å; G251-S253 PolarHBondContact O-N 2.73Å
252G97.7Very high96.7Very high67 Ų6743.2 Ų43.269%0.69124%0.235SC*.THydrogen-bonded Turntrans70.224.617700000114.6D248 R249 I250D248-G252 CarbonylContact O-C 3.55Å; D248-G252 PolarHBondContact O-N 2.97Å; R249-G252 PolarHBondContact O-N 3.28Å; I250-G252 VanDerWaalsContact C-N 3.3Å; I250-G252 PolarHBondContact O-N 3.27Å
253S98.1Very high96.5Very high4 Ų450.1 Ų50.13%0.02827%0.265CS..  trans-110.45.1178.353.20000113.6Y135 Y238 N239 Y240 D248 G251 K255Y135-S253 WeakPolarHBondContact CE2-OG 3.44Å; Y135-S253 PolarHBondContact OH-OG 3.34Å; Y238-S253 CarbonylContact C-O 3.53Å; Y238-S253 WeakPolarHBondContact CA-O 3.43Å; Y238-S253 WeakPolarHBondContact CB-O 3.26Å; N239-S253 PolarHBondContact N-O 2.93Å; Y240-S253 WeakPolarHBondContact CD2-OG 3.37Å; D248-S253 WeakPolarHBondContact CA-OG 3.37Å; D248-S253 PolarHBondContact O-N 3.49Å; D248-S253 PolarHBondContact OD1-OG 3.39Å; G251-S253 VanDerWaalsContact C-N 3.33Å; G251-S253 PolarHBondContact O-N 2.73Å; S253-K255 PolarHBondContact O-N 3.49Å
254F98.3Very high96.3Very high55 Ų5549.6 Ų49.624%0.24126%0.264CS..  trans-68.5130.1177.2177.7-99.3000111.7H228 T245 D248 R249H228-F254 AromaticContact NE2-CE2 3.82Å; T245-F254 HydrophobicContact CG2-CD2 4.17Å; T245-F254 HydrophobicContact CG2-CE2 3.78Å; D248-F254 HydrophobicContact CB-CB 3.94Å; D248-F254 PolarHBondContact O-N 3.06Å; R249-F254 HydrophobicContact CG-CB 3.81Å; R249-F254 HydrophobicContact CG-CD1 4.41Å; R249-F254 HydrophobicContact CG-CD2 4.16Å; R249-F254 HydrophobicContact CG-CG 3.85Å
255K96.5Very high96.1Very high66 Ų6647.8 Ų47.829%0.28726%0.257SS..  trans-133.4129.1169.9-176.6174.5179.7178.90109.8F235 Y238 N239 S253F235-K255 HydrophobicContact CD2-CD 4.45Å; Y238-K255 HydrophobicContact CD1-CB 3.83Å; Y238-K255 HydrophobicContact CD1-CD 4.27Å; Y238-K255 HydrophobicContact CD2-CB 4.43Å; Y238-K255 HydrophobicContact CD2-CD 3.63Å; Y238-K255 HydrophobicContact CE2-CD 3.96Å; Y238-K255 HydrophobicContact CG-CB 3.72Å; Y238-K255 HydrophobicContact CG-CD 3.8Å; Y238-K255 HydrophobicContact CG-CG 4.41Å; N239-K255 PolarHBondContact ND2-O 2.78Å; N239-K255 PolarHBondContact OD1-N 3.19Å; N239-K255 PolarHBondContact OD1-O 3.17Å; S253-K255 PolarHBondContact O-N 3.49Å
256N96.4Very high95.9Very high68 Ų6849.9 Ų49.936%0.36427%0.268SS..  trans-60.5128.8174.5-171.652.9000109.9S258 E261N256-S258 PolarHBondContact O-N 2.99Å; N256-E261 WeakPolarHBondContact ND2-CG 3.05Å; N256-E261 PolarHBondContact ND2-OE1 2.94Å
257P96.6Very high95.6Very high0 Ų048.2 Ų48.20%026%0.262CS..  trans-61133.1-177-27.835.9000113.4A227 H228 D231 S259 F260A227-P257 HydrophobicContact CB-CB 3.72Å; A227-P257 HydrophobicContact CB-CG 4.09Å; H228-P257 HydrophobicContact CB-CG 4.18Å; H228-P257 WeakPolarHBondContact CD2-CG 3.25Å; H228-P257 VanDerWaalsContact CG-CG 3.4Å; H228-P257 WeakPolarHBondContact NE2-CD 3.28Å; H228-P257 WeakPolarHBondContact NE2-CG 3.32Å; D231-P257 WeakPolarHBondContact OD2-CA 3.49Å; P257-S259 PolarHBondContact O-N 3.38Å; P257-F260 HydrophobicContact CB-CD1 4.4Å; P257-F260 HydrophobicContact CB-CD2 3.99Å; P257-F260 HydrophobicContact CB-CE2 4.2Å; P257-F260 HydrophobicContact CB-CG 4.09Å; P257-F260 HydrophobicContact CB-CZ 4.49Å; P257-F260 HydrophobicContact CG-CD2 3.76Å; P257-F260 HydrophobicContact CG-CE2 3.63Å; P257-F260 HydrophobicContact CG-CG 4.36Å; P257-F260 HydrophobicContact CG-CZ 4.11Å; P257-F260 WeakPolarHBondContact O-CB 3.28Å; P257-F260 PolarHBondContact O-N 3.15Å
258S95.8Very high95.4Very high15 Ų1551 Ų5111%0.10527%0.273CS..G310 helixtrans-56-33.6175.768.40000112.2D231 N256 F260 E261 G262 K263 G264D231-S258 PolarHBondContact OD1-OG 2.7Å; D231-S258 WeakPolarHBondContact OD2-CB 3.4Å; D231-S258 PolarHBondContact OD2-N 3.25Å; D231-S258 PolarHBondContact OD2-OG 3.02Å; N256-S258 PolarHBondContact O-N 2.99Å; S258-F260 VanDerWaalsContact C-N 3.32Å; S258-F260 PolarHBondContact O-N 3.24Å; S258-E261 CarbonylContact O-C 3.55Å; S258-E261 PolarHBondContact O-N 3.24Å; S258-E261 VanDerWaalsContact O-N 3.12Å; S258-G262 PolarHBondContact O-N 2.87Å; S258-K263 CarbonylContact O-C 3.13Å; S258-K263 WeakPolarHBondContact O-CA 3.25Å; S258-K263 PolarHBondContact O-N 3.41Å; S258-G264 PolarHBondContact O-N 3.22Å; S258-G264 VanDerWaalsContact OG-CA 3.31Å; S258-G264 WeakPolarHBondContact OG-CA 3.47Å
259S94.1Very high95.2Very high23 Ų2351.3 Ų51.316%0.16128%0.275CS..G310 helixtrans-63.2-32.3175-60.90000113.6F213 P257 E261 G262F213-S259 VanDerWaalsContact CD2-CB 3.42Å; F213-S259 WeakPolarHBondContact CD2-OG 3.38Å; F213-S259 WeakPolarHBondContact CE2-OG 3.47Å; P257-S259 PolarHBondContact O-N 3.38Å; S259-E261 VanDerWaalsContact C-N 3.26Å; S259-E261 PolarHBondContact O-N 2.96Å; S259-G262 PolarHBondContact O-N 2.72Å
260F94.3Very high94.9Very high50 Ų5051.8 Ų51.822%0.21928%0.28CS..G310 helixtrans-74.1-22.3175.7-61.6-12.8000112.1F213 V215 Q220 A227 H228 P257 S258 G262F213-F260 VanDerWaalsContact O-CE1 3.31Å; F213-F260 WeakPolarHBondContact O-CE1 3.31Å; V215-F260 HydrophobicContact CB-CZ 4.46Å; V215-F260 HydrophobicContact CG2-CZ 4.45Å; Q220-F260 HydrophobicContact CB-CE2 4.01Å; Q220-F260 HydrophobicContact CG-CD2 4.43Å; Q220-F260 HydrophobicContact CG-CE2 3.91Å; Q220-F260 HydrophobicContact CG-CZ 4.03Å; A227-F260 HydrophobicContact CB-CD1 4.23Å; A227-F260 HydrophobicContact CB-CE1 3.56Å; A227-F260 HydrophobicContact CB-CZ 3.87Å; H228-F260 AromaticContact CE1-CE2 3.7Å; P257-F260 HydrophobicContact CB-CD1 4.4Å; P257-F260 HydrophobicContact CB-CD2 3.99Å; P257-F260 HydrophobicContact CB-CE2 4.2Å; P257-F260 HydrophobicContact CB-CG 4.09Å; P257-F260 HydrophobicContact CB-CZ 4.49Å; P257-F260 HydrophobicContact CG-CD2 3.76Å; P257-F260 HydrophobicContact CG-CE2 3.63Å; P257-F260 HydrophobicContact CG-CG 4.36Å; P257-F260 HydrophobicContact CG-CZ 4.11Å; P257-F260 WeakPolarHBondContact O-CB 3.28Å; P257-F260 PolarHBondContact O-N 3.15Å; S258-F260 VanDerWaalsContact C-N 3.32Å; S258-F260 PolarHBondContact O-N 3.24Å; F260-G262 VanDerWaalsContact C-N 3.34Å
261E93.2Very high94.7Very high102 Ų10252.6 Ų52.648%0.47728%0.281SS..G310 helixtrans-92.23.8176.5-57.3-176.9174.400112.8N256 S258 S259 K263N256-E261 WeakPolarHBondContact ND2-CG 3.05Å; N256-E261 PolarHBondContact ND2-OE1 2.94Å; S258-E261 CarbonylContact O-C 3.55Å; S258-E261 PolarHBondContact O-N 3.24Å; S258-E261 VanDerWaalsContact O-N 3.12Å; S259-E261 VanDerWaalsContact C-N 3.26Å; S259-E261 PolarHBondContact O-N 2.96Å; E261-K263 PolarHBondContact O-N 2.76Å
262G91.6Very high94.4Very high39 Ų3954.4 Ų54.440%0.40229%0.286SS..THydrogen-bonded Turntrans70.416.9-175.700000114.1S258 S259 F260 S267S258-G262 PolarHBondContact O-N 2.87Å; S259-G262 PolarHBondContact O-N 2.72Å; F260-G262 VanDerWaalsContact C-N 3.34Å; G262-S267 WeakPolarHBondContact O-CB 3.33Å; G262-S267 PolarHBondContact O-OG 2.93Å
263K92.3Very high93.9Very high155 Ų15553.5 Ų53.567%0.67427%0.267SS*.  trans-112.813.8-179.9-63.1175-174.2165.80113.3S258 E261S258-K263 CarbonylContact O-C 3.13Å; S258-K263 WeakPolarHBondContact O-CA 3.25Å; S258-K263 PolarHBondContact O-N 3.41Å; E261-K263 PolarHBondContact O-N 2.76Å
264G93.2Very high93.4Very high3 Ų358.1 Ų58.13%0.03129%0.288CS..SBendtrans-77176.8-177.800000114S258 L266 S267 Y268S258-G264 PolarHBondContact O-N 3.22Å; S258-G264 VanDerWaalsContact OG-CA 3.31Å; S258-G264 WeakPolarHBondContact OG-CA 3.47Å; G264-L266 PolarHBondContact O-N 2.94Å; G264-S267 WeakPolarHBondContact O-CB 3.5Å; G264-S267 PolarHBondContact O-N 2.6Å; G264-S267 VanDerWaalsContact O-N 3.07Å; G264-Y268 PolarHBondContact O-N 2.91Å; G264-Y268 VanDerWaalsContact O-N 3.11Å
265P94.5Very high92.2Very high5 Ų557.3 Ų57.33%0.03230%0.296CS..Hα-helixtrans-56.6-33.5-178.3-27.335.5000114.4L62 I159 T230 Y268 V269L62-P265 HydrophobicContact CD2-CB 3.73Å; I159-P265 HydrophobicContact CD1-CB 3.76Å; I159-P265 HydrophobicContact CD1-CG 3.81Å; T230-P265 HydrophobicContact CG2-CG 3.92Å; P265-Y268 PolarHBondContact O-N 3.47Å; P265-V269 WeakPolarHBondContact O-CG2 3.49Å; P265-V269 PolarHBondContact O-N 2.87Å
266L93.1Very high90.7Very high45 Ų4560.7 Ų60.724%0.23631%0.31CS..Hα-helixtrans-66.6-43.9175.9-78.2175.3000112.5D59 A61 L62 F213 G264 Y268 V269 K270D59-L266 HydrophobicContact CB-CD1 4.37Å; D59-L266 HydrophobicContact CB-CD2 4.12Å; D59-L266 WeakPolarHBondContact OD2-CD1 3.35Å; D59-L266 WeakPolarHBondContact OD2-CD2 3.49Å; A61-L266 HydrophobicContact CB-CD2 4.09Å; L62-L266 HydrophobicContact CD2-CD2 3.67Å; L62-L266 HydrophobicContact CD2-CG 3.71Å; L62-L266 HydrophobicContact CG-CD2 3.65Å; L62-L266 HydrophobicContact CG-CG 4.08Å; F213-L266 HydrophobicContact CD2-CD1 3.76Å; F213-L266 HydrophobicContact CD2-CG 4.33Å; F213-L266 HydrophobicContact CE2-CB 4.32Å; F213-L266 HydrophobicContact CE2-CD1 3.72Å; F213-L266 HydrophobicContact CE2-CG 3.82Å; G264-L266 PolarHBondContact O-N 2.94Å; L266-Y268 VanDerWaalsContact C-N 3.3Å; L266-Y268 PolarHBondContact O-N 3.48Å; L266-V269 PolarHBondContact O-N 3Å; L266-K270 PolarHBondContact O-N 3.45Å
267S93.3Very high88.8Confident31 Ų3165.8 Ų65.822%0.21733%0.326CS..Hα-helixtrans-60.5-43.2175.1-60.30000111.1G262 G264 V269 K270 E271G262-S267 WeakPolarHBondContact O-CB 3.33Å; G262-S267 PolarHBondContact O-OG 2.93Å; G264-S267 WeakPolarHBondContact O-CB 3.5Å; G264-S267 PolarHBondContact O-N 2.6Å; G264-S267 VanDerWaalsContact O-N 3.07Å; S267-V269 PolarHBondContact O-N 3.43Å; S267-K270 WeakPolarHBondContact O-CB 3.18Å; S267-K270 PolarHBondContact O-N 3.07Å; S267-K270 VanDerWaalsContact O-N 3.16Å; S267-E271 WeakPolarHBondContact O-CG 3.16Å; S267-E271 PolarHBondContact O-N 3.11Å
268Y93.8Very high86.9Confident103 Ų10369.9 Ų69.940%0.40435%0.354SS..Hα-helixtrans-59.4-45.2176.5-179.3-92.2000112.4H65 P66 G264 P265 L266 K270 E271 M272H65-Y268 AromaticContact CD2-CD1 3.53Å; H65-Y268 AromaticContact NE2-CD1 3.61Å; P66-Y268 VanDerWaalsContact CD-CE1 3.46Å; P66-Y268 HydrophobicContact CG-CE1 3.63Å; G264-Y268 PolarHBondContact O-N 2.91Å; G264-Y268 VanDerWaalsContact O-N 3.11Å; P265-Y268 PolarHBondContact O-N 3.47Å; L266-Y268 VanDerWaalsContact C-N 3.3Å; L266-Y268 PolarHBondContact O-N 3.48Å; Y268-K270 VanDerWaalsContact C-N 3.32Å; Y268-K270 PolarHBondContact O-N 3.5Å; Y268-E271 PolarHBondContact O-N 2.76Å; Y268-M272 HydrophobicContact CD1-CE 3.68Å; Y268-M272 HydrophobicContact CD1-CG 4.26Å; Y268-M272 HydrophobicContact CD1-SD 4.12Å; Y268-M272 HydrophobicContact CE1-CE 3.3Å; Y268-M272 HydrophobicContact CE1-CG 3.81Å; Y268-M272 HydrophobicContact CE1-SD 3.28Å; Y268-M272 WeakPolarHBondContact CE1-SD 3.37Å; Y268-M272 HydrophobicContact CE2-CG 4.48Å; Y268-M272 WeakPolarHBondContact O-CB 3.4Å; Y268-M272 WeakPolarHBondContact O-CG 3.34Å; Y268-M272 PolarHBondContact O-N 3.14Å
269V93.8Very high84.8Confident6 Ų672.6 Ų72.64%0.03637%0.374CS..Hα-helixtrans-61.7-41.7175.8169.10000111.4A61 K64 H65 P265 L266 S267 T273A61-V269 HydrophobicContact CB-CG1 4.42Å; K64-V269 HydrophobicContact CB-CG1 3.96Å; K64-V269 HydrophobicContact CD-CG1 4.37Å; H65-V269 HydrophobicContact CB-CG2 3.83Å; P265-V269 WeakPolarHBondContact O-CG2 3.49Å; P265-V269 PolarHBondContact O-N 2.87Å; L266-V269 PolarHBondContact O-N 3Å; S267-V269 PolarHBondContact O-N 3.43Å; V269-T273 WeakPolarHBondContact O-CB 3.38Å; V269-T273 PolarHBondContact O-N 2.66Å; V269-T273 PolarHBondContact O-OG1 2.96Å
270K92.3Very high82.8Confident126 Ų12679.7 Ų79.755%0.54840%0.404SS..Hα-helixtrans-62.3-51.8178.4-175.9179.5174-176.70111.2L266 S267 Y268 M272 T273 E274L266-K270 PolarHBondContact O-N 3.45Å; S267-K270 WeakPolarHBondContact O-CB 3.18Å; S267-K270 PolarHBondContact O-N 3.07Å; S267-K270 VanDerWaalsContact O-N 3.16Å; Y268-K270 VanDerWaalsContact C-N 3.32Å; Y268-K270 PolarHBondContact O-N 3.5Å; K270-M272 PolarHBondContact O-N 3.37Å; K270-T273 PolarHBondContact O-N 2.71Å; K270-T273 VanDerWaalsContact O-N 3.09Å; K270-E274 WeakPolarHBondContact CE-OE1 3.3Å; K270-E274 HydrophobicContact CG-CG 4.43Å; K270-E274 WeakPolarHBondContact CG-OE1 3.45Å; K270-E274 IonicContact NZ-OE1 3.39Å; K270-E274 WeakPolarHBondContact O-CG 3.38Å; K270-E274 PolarHBondContact O-N 3.33Å
271E92.3Very high80.7Confident124 Ų12481.8 Ų81.858%0.57943%0.43SS*.Hα-helixtrans-59.4-43.6178.8-72.9174.6-169.300112.4S267 Y268 T273 G275S267-E271 WeakPolarHBondContact O-CG 3.16Å; S267-E271 PolarHBondContact O-N 3.11Å; Y268-E271 PolarHBondContact O-N 2.76Å; E271-T273 VanDerWaalsContact C-N 3.31Å; E271-T273 PolarHBondContact O-N 2.68Å; E271-G275 PolarHBondContact O-N 2.83Å
272M91.1Very high78.2Confident56 Ų5679 Ų7928%0.27643%0.429SS..Hα-helixtrans-62.6-38.1174.9-79.5-158.7-56.400112.8Y268 K270 K276Y268-M272 HydrophobicContact CD1-CE 3.68Å; Y268-M272 HydrophobicContact CD1-CG 4.26Å; Y268-M272 HydrophobicContact CD1-SD 4.12Å; Y268-M272 HydrophobicContact CE1-CE 3.3Å; Y268-M272 HydrophobicContact CE1-CG 3.81Å; Y268-M272 HydrophobicContact CE1-SD 3.28Å; Y268-M272 WeakPolarHBondContact CE1-SD 3.37Å; Y268-M272 HydrophobicContact CE2-CG 4.48Å; Y268-M272 WeakPolarHBondContact O-CB 3.4Å; Y268-M272 WeakPolarHBondContact O-CG 3.34Å; Y268-M272 PolarHBondContact O-N 3.14Å; K270-M272 PolarHBondContact O-N 3.37Å; M272-K276 WeakPolarHBondContact O-CG 3.34Å; M272-K276 PolarHBondContact O-N 3.28Å
273T87.3Confident75.7Confident48 Ų4885.2 Ų85.229%0.29445%0.453SS..Hα-helixtrans-70.6-49-179.5-56.40000109.7V269 K270 E271 K276 Y277V269-T273 WeakPolarHBondContact O-CB 3.38Å; V269-T273 PolarHBondContact O-N 2.66Å; V269-T273 PolarHBondContact O-OG1 2.96Å; K270-T273 PolarHBondContact O-N 2.71Å; K270-T273 VanDerWaalsContact O-N 3.09Å; E271-T273 VanDerWaalsContact C-N 3.31Å; E271-T273 PolarHBondContact O-N 2.68Å; T273-K276 PolarHBondContact O-N 3.45Å; T273-Y277 HydrophobicContact CG2-CD2 4.13Å; T273-Y277 HydrophobicContact CG2-CE2 3.95Å; T273-Y277 VanDerWaalsContact O-CD2 3.24Å; T273-Y277 WeakPolarHBondContact O-CD2 3.5Å; T273-Y277 PolarHBondContact O-N 3.01Å; T273-Y277 VanDerWaalsContact O-N 3.15Å
274E87.1Confident73.3Confident100 Ų10081.6 Ų81.647%0.46746%0.46SS..Hα-helixtrans-62.9-44.1177.8-70.3175.7175.900111.8K270 K276 Y277 S278K270-E274 WeakPolarHBondContact CE-OE1 3.3Å; K270-E274 HydrophobicContact CG-CG 4.43Å; K270-E274 WeakPolarHBondContact CG-OE1 3.45Å; K270-E274 IonicContact NZ-OE1 3.39Å; K270-E274 WeakPolarHBondContact O-CG 3.38Å; K270-E274 PolarHBondContact O-N 3.33Å; E274-K276 VanDerWaalsContact C-N 3.31Å; E274-K276 PolarHBondContact O-N 3.44Å; E274-Y277 WeakPolarHBondContact O-CB 3.01Å; E274-Y277 PolarHBondContact O-N 3Å; E274-S278 PolarHBondContact O-N 3.21Å; E274-S278 PolarHBondContact O-OG 3.49Å
275G74.8Confident70.5Confident39 Ų3987.2 Ų87.240%0.40250%0.498SS..Hα-helixtrans-60.8-36.5176.200000113.3E271 S278 S279E271-G275 PolarHBondContact O-N 2.83Å; G275-S278 PolarHBondContact O-N 3.33Å; G275-S279 WeakPolarHBondContact O-CB 3.46Å; G275-S279 PolarHBondContact O-N 2.97Å; G275-S279 PolarHBondContact O-OG 3.35Å
276K63.9Low67.9Low137 Ų13795.7 Ų95.760%0.59653%0.534SS*.Hα-helixtrans-64.5-42.5171.6-79.2178.1-179.1-179.90112M272 T273 E274 S279 H280M272-K276 WeakPolarHBondContact O-CG 3.34Å; M272-K276 PolarHBondContact O-N 3.28Å; T273-K276 PolarHBondContact O-N 3.45Å; E274-K276 VanDerWaalsContact C-N 3.31Å; E274-K276 PolarHBondContact O-N 3.44Å; K276-S279 WeakPolarHBondContact CA-OG 3.4Å; K276-S279 PolarHBondContact O-N 3.23Å; K276-S279 PolarHBondContact O-OG 3.35Å; K276-H280 PolarHBondContact O-CD2 3.02Å; K276-H280 PolarHBondContact O-N 3.38Å
277Y57.2Low65.2Low174 Ų174101 Ų10168%0.68256%0.563SS**Hα-helixtrans-64.3-42.9175.7-84.8-78.3000112.2T273 E274 S279 H280 A281T273-Y277 HydrophobicContact CG2-CD2 4.13Å; T273-Y277 HydrophobicContact CG2-CE2 3.95Å; T273-Y277 VanDerWaalsContact O-CD2 3.24Å; T273-Y277 WeakPolarHBondContact O-CD2 3.5Å; T273-Y277 PolarHBondContact O-N 3.01Å; T273-Y277 VanDerWaalsContact O-N 3.15Å; E274-Y277 WeakPolarHBondContact O-CB 3.01Å; E274-Y277 PolarHBondContact O-N 3Å; Y277-S279 PolarHBondContact O-N 3.05Å; Y277-H280 PolarHBondContact O-N 3.31Å; Y277-A281 WeakPolarHBondContact O-CB 3.36Å; Y277-A281 PolarHBondContact O-N 2.93Å
278S56.3Low62.7Low86 Ų86108.8 Ų108.860%0.60160%0.595SS**Hα-helixtrans-64.8-37.8176.2-580000112.5E274 G275 H280 A281 G282E274-S278 PolarHBondContact O-N 3.21Å; E274-S278 PolarHBondContact O-OG 3.49Å; G275-S278 PolarHBondContact O-N 3.33Å; S278-H280 VanDerWaalsContact C-N 3.34Å; S278-A281 PolarHBondContact O-N 3.1Å; S278-G282 PolarHBondContact O-N 2.97Å; S278-G282 VanDerWaalsContact O-N 3.08Å
279S51.3Low60.3Low73 Ų73113.5 Ų113.551%0.5162%0.618SS.*Hα-helixtrans-72.5-22.1176.1710000114.4G275 K276 Y277 G282G275-S279 WeakPolarHBondContact O-CB 3.46Å; G275-S279 PolarHBondContact O-N 2.97Å; G275-S279 PolarHBondContact O-OG 3.35Å; K276-S279 WeakPolarHBondContact CA-OG 3.4Å; K276-S279 PolarHBondContact O-N 3.23Å; K276-S279 PolarHBondContact O-OG 3.35Å; Y277-S279 PolarHBondContact O-N 3.05Å; S279-G282 VanDerWaalsContact O-O 3.08Å
280H51.5Low57.5Low172 Ų172120.7 Ų120.780%0.79666%0.656SS**Hα-helixtrans-87.9-24.4173.1-87-53.5000113.1K276 Y277 S278K276-H280 PolarHBondContact O-CD2 3.02Å; K276-H280 PolarHBondContact O-N 3.38Å; Y277-H280 PolarHBondContact O-N 3.31Å; S278-H280 VanDerWaalsContact C-N 3.34Å
281A50.8Low55.2Low93 Ų93123.4 Ų123.477%0.76967%0.667SS**Hα-helixtrans-85.3-19.5174.900000113.5Y277 S278Y277-A281 WeakPolarHBondContact O-CB 3.36Å; Y277-A281 PolarHBondContact O-N 2.93Å; S278-A281 PolarHBondContact O-N 3.1Å
282G41Very low52.2Low45 Ų45125.8 Ų125.846%0.46468%0.684SS.*SBendtrans-117.8107.1173.900000111.1S278 S279S278-G282 PolarHBondContact O-N 2.97Å; S278-G282 VanDerWaalsContact O-N 3.08Å; S279-G282 VanDerWaalsContact O-O 3.08Å
283N39.5Very low49.3Very low168 Ų168125.3 Ų125.390%0.89869%0.694SS**  trans-15.9147175.3-103.5-13.5000119.1C285N283-C285 PolarHBondContact O-N 3.05Å
284G42.4Very low46.7Very low79 Ų79131.4 Ų131.481%0.81472%0.719SS**  trans-44.5124.2-177.200000115.6
285C32.5Very low44.4Very low122 Ų122136.6 Ų136.682%0.82474%0.74SS**  trans-167.4134.8139.2-150.90000109.4N283N283-C285 PolarHBondContact O-N 3.05Å
286K41.2Very low42.4Very low182 Ų182139.9 Ų139.979%0.79175%0.753SS**  trans-8.3134.7165.1-66.4171.9174.5177.50118.3
287N35.1Very low41.1Very low158 Ų158143.1 Ų143.185%0.84577%0.767SS**  -173.4105.5109.7-95.1-19.9000112.2
288E41.6Very low40.1Very low193 Ų193141.3 Ų141.390%0.90277%0.774SS**  trans-81.1108.5156.3-78.6-179.6151.200108.3
289K42.5Very low39.2Very low202 Ų202150 Ų15088%0.87881%0.805SS**  trans171.298148.9-100.8173.5-177.1-175.30108.2
290L36.7Very low38.6Very low158 Ų158153.9 Ų153.983%0.82782%0.82SS**SBendtrans-148.4118.8157.1-103147.4000108
291F42.6Very low37.9Very low182 Ų182152.9 Ų152.980%0.79882%0.821SS**  trans74.763.9172.1-70.6-84.8000119.1
292N30.6Very low37.2Very low174 Ų174156.2 Ų156.293%0.9382%0.824SS**  trans-93.585132.4-90.4-6.7000107.3E294N292-E294 PolarHBondContact O-N 3.14Å
293G30Very low37Very low47 Ų47162.8 Ų162.849%0.48585%0.846SS.*  trans-85.899.7165.300000108.6F295G293-F295 PolarHBondContact O-N 3.24Å; G293-F295 VanDerWaalsContact O-N 3.09Å
294E32.8Very low36.9Very low175 Ų175162.4 Ų162.482%0.81884%0.842SS**  trans-54.4108.1157.8-82.9174.3137.500108.3N292 T296N292-E294 PolarHBondContact O-N 3.14Å; E294-T296 HydrophobicContact CB-CG2 4.48Å; E294-T296 PolarHBondContact O-N 3.07Å
295F38.9Very low36.5Very low209 Ų209168 Ų16892%0.91784%0.844SS**  trans-79.876.9161.8-84-86.7000107.8G293 K297G293-F295 PolarHBondContact O-N 3.24Å; G293-F295 VanDerWaalsContact O-N 3.09Å; F295-K297 PolarHBondContact O-N 3.23Å
296T32.7Very low36.8Very low108 Ų108171.3 Ų171.366%0.66385%0.846SS**PPolyproline II helixtrans-66.6122163.139.10000108.7E294 T298E294-T296 HydrophobicContact CB-CG2 4.48Å; E294-T296 PolarHBondContact O-N 3.07Å; T296-T298 PolarHBondContact O-N 2.74Å
297K36.8Very low36.4Very low205 Ų205170.5 Ų170.589%0.89185%0.85SS**PPolyproline II helixtrans-51.7125162.8-72.5175.9171.4-178.70109.2F295F295-K297 PolarHBondContact O-N 3.23Å
298T35.7Very low36.5Very low137 Ų137171.5 Ų171.584%0.8485%0.85SS**PPolyproline II helixtrans-87.1136.815339.90000108.5T296T296-T298 PolarHBondContact O-N 2.74Å
299E37.7Very low36.1Very low268 Ų268169.5 Ų169.5100%1.25285%0.845SS**  trans-54.30-173.9-61.9174.8147.500115.1

Retrieved 299 of 299 residues in 244.4 ms (Link to these results)

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