A0A096NTE5_PAPAN Loading...

AP-4 complex accessory subunit Tepsin

Associates with the adapter-like complex 4 (AP-4) and may therefore play a role in vesicular trafficking of proteins at the trans-Golgi network.

AlphaFold DB , UniProt , Accession A0A096NTE5, Species PAPAN (Papio anubis, Olive baboon), Gene TEPSIN, Length 593 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
1M38.9Very low78.4Confident246 Ų24685.5 Ų85.5100%1.21248%0.481SS*.  0147.10-72.9151.7140.500108.7
2A51.6Low79.3Confident71 Ų7181.8 Ų81.859%0.58746%0.464SS*.PPolyproline II helixtrans-84.6144.9160.900000108.4
3A72.4Confident80.5Confident83 Ų8375.5 Ų75.569%0.68643%0.429SS*.PPolyproline II helixtrans-68.9142.6168.900000109.5Q51A3-Q51 PolarHBondContact O-NE2 3.34Å
4A81.1Confident81.4Confident58 Ų5873.9 Ų73.948%0.47942%0.418SS..PPolyproline II helixtrans-65.5145.7178.900000111.4
5P82.6Confident82.2Confident8 Ų879.3 Ų79.35%0.05244%0.438CS..PPolyproline II helixtrans-61.3135-179.415.4-25.8000111.8R10 Q51P5-R10 HydrophobicContact CB-CG 4.32Å; P5-R10 HydrophobicContact CG-CG 4.38Å; P5-R10 PolarHBondContact O-NE 2.97Å; P5-Q51 VanDerWaalsContact CA-OE1 3.27Å; P5-Q51 HydrophobicContact CB-CB 4.17Å; P5-Q51 HydrophobicContact CG-CB 4.09Å
6P86.6Confident83.1Confident59 Ų5980.2 Ų80.238%0.38343%0.433SS..PPolyproline II helixtrans-54.1146.6177.8-28.534.8000114.2R8 D9 R10P6-R8 VanDerWaalsContact C-N 3.26Å; P6-R8 HydrophobicContact CB-CG 4.46Å; P6-R8 PolarHBondContact O-N 3.42Å; P6-D9 HydrophobicContact CB-CB 4.47Å; P6-D9 WeakPolarHBondContact CD-OD2 3.41Å; P6-D9 WeakPolarHBondContact CG-OD2 3.26Å; P6-D9 PolarHBondContact O-N 3.42Å; P6-R10 PolarHBondContact O-N 3.08Å
7L89.1Confident83.8Confident117 Ų11776.9 Ų76.961%0.61342%0.415SS*.Hα-helixtrans-55.9-36.5-178.7-64.5178.8000113.6R10 L11L7-R10 WeakPolarHBondContact O-CB 3.44Å; L7-R10 PolarHBondContact O-N 3.37Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.49Å
8R91Very high84.6Confident181 Ų18177.5 Ų77.568%0.68342%0.423SS*.Hα-helixtrans-65.3-39.9176.580.1-168.3178.5-154.7-9.9112.1P6 R10 L11 S12P6-R8 VanDerWaalsContact C-N 3.26Å; P6-R8 HydrophobicContact CB-CG 4.46Å; P6-R8 PolarHBondContact O-N 3.42Å; R8-R10 VanDerWaalsContact C-N 3.32Å; R8-L11 PolarHBondContact O-N 2.87Å; R8-S12 PolarHBondContact O-N 3.25Å; R8-S12 PolarHBondContact O-OG 3.37Å
9D90.3Very high85.2Confident12 Ų1275.4 Ų75.46%0.06441%0.411CS..Hα-helixtrans-73-32.8-177.1-55-4.6000109.3P6 S12 F13 G48P6-D9 HydrophobicContact CB-CB 4.47Å; P6-D9 WeakPolarHBondContact CD-OD2 3.41Å; P6-D9 WeakPolarHBondContact CG-OD2 3.26Å; P6-D9 PolarHBondContact O-N 3.42Å; D9-S12 WeakPolarHBondContact CA-OG 3.34Å; D9-S12 PolarHBondContact O-OG 3.05Å; D9-F13 WeakPolarHBondContact O-CB 3.4Å; D9-F13 PolarHBondContact O-N 3.45Å; D9-G48 WeakPolarHBondContact OD2-CA 3.42Å
10R88.1Confident85.8Confident15 Ų1571.6 Ų71.66%0.05739%0.39CS..Hα-helixtrans-65-47.1168.9-69.4173.2-179.8-107.6-0.7112.4P5 P6 L7 R8 F13 L14 D536 L538P5-R10 HydrophobicContact CB-CG 4.32Å; P5-R10 HydrophobicContact CG-CG 4.38Å; P5-R10 PolarHBondContact O-NE 2.97Å; P6-R10 PolarHBondContact O-N 3.08Å; L7-R10 WeakPolarHBondContact O-CB 3.44Å; L7-R10 PolarHBondContact O-N 3.37Å; R8-R10 VanDerWaalsContact C-N 3.32Å; R10-F13 WeakPolarHBondContact O-CB 3.5Å; R10-F13 PolarHBondContact O-N 3.49Å; R10-L14 PolarHBondContact O-N 2.75Å; R10-D536 PolarHBondContact NH1-O 3.01Å; R10-D536 PolarHBondContact NH2-O 3.39Å; R10-L538 HydrophobicContact CB-CD1 3.95Å; R10-L538 HydrophobicContact CB-CD2 4.14Å; R10-L538 HydrophobicContact CB-CG 4.27Å; R10-L538 HydrophobicContact CG-CD1 3.99Å; R10-L538 HydrophobicContact CG-CD2 4.29Å; R10-L538 HydrophobicContact CG-CG 4.04Å
11L90.9Very high86.4Confident91 Ų9171.9 Ų71.948%0.47639%0.391SS..Hα-helixtrans-63.7-41.7179.2-73.9167.1000111.8L7 R8 F13 L14L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.49Å; R8-L11 PolarHBondContact O-N 2.87Å; L11-F13 VanDerWaalsContact C-N 3.31Å; L11-F13 PolarHBondContact O-N 3.08Å; L11-L14 HydrophobicContact CD2-CD1 4.41Å; L11-L14 PolarHBondContact O-N 3.48Å
12S89.7Confident89.2Confident40 Ų4065.5 Ų65.528%0.2836%0.357SS..Hα-helixtrans-63.8-37.5172.255.60000112.1R8 D9 L14 H15R8-S12 PolarHBondContact O-N 3.25Å; R8-S12 PolarHBondContact O-OG 3.37Å; D9-S12 WeakPolarHBondContact CA-OG 3.34Å; D9-S12 PolarHBondContact O-OG 3.05Å; S12-L14 PolarHBondContact O-N 3.27Å; S12-H15 WeakPolarHBondContact O-CB 3.49Å; S12-H15 PolarHBondContact O-N 3.31Å
13F94.4Very high91.3Very high0 Ų062.1 Ų62.10%033%0.329CS..Hα-helixtrans-63.9-35.1176.3-169.5-89.9000113.4D9 R10 L11 H15 R16 L17 L20 I42 C52 L53 Y56 L538 F539D9-F13 WeakPolarHBondContact O-CB 3.4Å; D9-F13 PolarHBondContact O-N 3.45Å; R10-F13 WeakPolarHBondContact O-CB 3.5Å; R10-F13 PolarHBondContact O-N 3.49Å; L11-F13 VanDerWaalsContact C-N 3.31Å; L11-F13 PolarHBondContact O-N 3.08Å; F13-H15 PolarHBondContact O-N 2.96Å; F13-R16 WeakPolarHBondContact O-CA 3.3Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 2.99Å; F13-L17 HydrophobicContact CD1-CD2 4.34Å; F13-L17 HydrophobicContact CE1-CD2 3.82Å; F13-L17 PolarHBondContact O-N 3Å; F13-L20 HydrophobicContact CE1-CD1 3.84Å; F13-L20 HydrophobicContact CE2-CD1 3.79Å; F13-L20 HydrophobicContact CZ-CD1 3.22Å; F13-I42 HydrophobicContact CD2-CG2 3.81Å; F13-I42 HydrophobicContact CE2-CG2 3.79Å; F13-C52 HydrophobicContact CB-CB 3.91Å; F13-C52 HydrophobicContact CD1-CB 3.75Å; F13-C52 HydrophobicContact CD2-CB 3.52Å; F13-C52 HydrophobicContact CE1-CB 4.14Å; F13-C52 HydrophobicContact CE2-CB 3.92Å; F13-C52 HydrophobicContact CG-CB 3.41Å; F13-C52 VanDerWaalsContact CG-CB 3.41Å; F13-C52 HydrophobicContact CZ-CB 4.2Å; F13-C52 WeakPolarHBondContact CZ-O 3.44Å; F13-L53 VanDerWaalsContact CE2-CA 3.41Å; F13-L53 HydrophobicContact CE2-CB 3.78Å; F13-L53 HydrophobicContact CE2-CD1 4.21Å; F13-L53 VanDerWaalsContact CE2-N 3.27Å; F13-L53 HydrophobicContact CZ-CB 4.39Å; F13-L53 HydrophobicContact CZ-CD1 4.44Å; F13-Y56 HydrophobicContact CZ-CG 4.48Å; F13-L538 HydrophobicContact CD1-CD1 4.28Å; F13-F539 HydrophobicContact CD1-CZ 4.48Å; F13-F539 AromaticContact CE1-CZ 3.92Å; F13-F539 HydrophobicContact CE1-CZ 3.92Å
14L93.4Very high92.6Very high54 Ų5458.2 Ų58.228%0.28330%0.297SS..Hα-helixtrans-57.8-37.3175.3-66.4-178000112R10 L11 S12 R16 L17 L538 F590R10-L14 PolarHBondContact O-N 2.75Å; L11-L14 HydrophobicContact CD2-CD1 4.41Å; L11-L14 PolarHBondContact O-N 3.48Å; S12-L14 PolarHBondContact O-N 3.27Å; L14-R16 PolarHBondContact O-N 3.32Å; L14-L17 HydrophobicContact CD2-CD1 3.66Å; L14-L17 WeakPolarHBondContact O-CB 3.36Å; L14-L17 PolarHBondContact O-N 3.16Å; L14-L538 HydrophobicContact CD2-CD1 4.45Å; L14-F590 HydrophobicContact CD1-CZ 4.31Å
15H93.8Very high93.4Very high154 Ų15457.1 Ų57.171%0.71329%0.285SS*.THydrogen-bonded Turntrans-67.3-14174.7-57.7153.1000113.7S12 F13S12-H15 WeakPolarHBondContact O-CB 3.49Å; S12-H15 PolarHBondContact O-N 3.31Å; F13-H15 PolarHBondContact O-N 2.96Å
16R96.4Very high94Very high94 Ų9458.9 Ų58.936%0.35529%0.294SS..THydrogen-bonded Turntrans-93.6-12.2176-53.5-57-171.5-167.63.5113.5F13 L14 P18 I19 L20 I42 E45F13-R16 WeakPolarHBondContact O-CA 3.3Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 2.99Å; L14-R16 PolarHBondContact O-N 3.32Å; R16-P18 VanDerWaalsContact C-CD 3.42Å; R16-P18 VanDerWaalsContact C-N 3.35Å; R16-I19 WeakPolarHBondContact O-CB 3.4Å; R16-I19 PolarHBondContact O-N 3.32Å; R16-I19 VanDerWaalsContact O-N 3.09Å; R16-L20 PolarHBondContact O-N 2.79Å; R16-I42 HydrophobicContact CB-CD1 3.72Å; R16-I42 HydrophobicContact CB-CG1 4.17Å; R16-I42 HydrophobicContact CG-CD1 4.12Å; R16-I42 HydrophobicContact CG-CG1 3.99Å; R16-I42 HydrophobicContact CG-CG2 4.38Å; R16-E45 IonicContact CZ-OE1 3.65Å; R16-E45 IonicContact NE-OE1 2.7Å; R16-E45 PolarHBondContact NE-OE1 3.44Å; R16-E45 IonicContact NH2-OE1 3.15Å; R16-E45 PolarHBondContact NH2-OE1 3.02Å
17L95.1Very high94.5Very high24 Ų2458.5 Ų58.513%0.12629%0.289CS..Hα-helixtrans-54.3-37.1-179.6-71176.5000114.8F13 L14 I19 L20 L21 Y56 F539F13-L17 HydrophobicContact CD1-CD2 4.34Å; F13-L17 HydrophobicContact CE1-CD2 3.82Å; F13-L17 PolarHBondContact O-N 3Å; L14-L17 HydrophobicContact CD2-CD1 3.66Å; L14-L17 WeakPolarHBondContact O-CB 3.36Å; L14-L17 PolarHBondContact O-N 3.16Å; L17-I19 VanDerWaalsContact C-N 3.3Å; L17-I19 PolarHBondContact O-N 3.42Å; L17-L20 HydrophobicContact CD2-CD1 4.5Å; L17-L20 PolarHBondContact O-N 3.43Å; L17-L21 HydrophobicContact CB-CD1 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.48Å; L17-Y56 HydrophobicContact CD2-CD2 3.77Å; L17-Y56 HydrophobicContact CD2-CE2 3.84Å; L17-F539 HydrophobicContact CD2-CE1 4.01Å; L17-F539 HydrophobicContact CD2-CZ 4.23Å
18P96.9Very high94.7Very high88 Ų8859 Ų5957%0.57129%0.292SS*.Hα-helixtrans-61.9-35177.1-25.336000113.9R16 K22R16-P18 VanDerWaalsContact C-CD 3.42Å; R16-P18 VanDerWaalsContact C-N 3.35Å; P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 3.07Å
19I96.9Very high95Very high37 Ų3754.7 Ų54.719%0.1929%0.286CS..Hα-helixtrans-66.2-47.4176.2-57.7176.4000109.1R16 L17 K22 G23 L35 E38 I39R16-I19 WeakPolarHBondContact O-CB 3.4Å; R16-I19 PolarHBondContact O-N 3.32Å; R16-I19 VanDerWaalsContact O-N 3.09Å; L17-I19 VanDerWaalsContact C-N 3.3Å; L17-I19 PolarHBondContact O-N 3.42Å; I19-K22 PolarHBondContact O-N 2.88Å; I19-G23 PolarHBondContact O-N 2.95Å; I19-L35 HydrophobicContact CG2-CD2 3.7Å; I19-E38 HydrophobicContact CG2-CB 4.03Å; I19-I39 HydrophobicContact CG2-CG1 4.09Å
20L97.8Very high95.3Very high0 Ų059.2 Ų59.20%032%0.316CS..Hα-helixtrans-68.8-41.5-178.1-70.3164.3000112.8F13 R16 L17 K22 G23 T24 I39 I42 L53 Y56F13-L20 HydrophobicContact CE1-CD1 3.84Å; F13-L20 HydrophobicContact CE2-CD1 3.79Å; F13-L20 HydrophobicContact CZ-CD1 3.22Å; R16-L20 PolarHBondContact O-N 2.79Å; L17-L20 HydrophobicContact CD2-CD1 4.5Å; L17-L20 PolarHBondContact O-N 3.43Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.4Å; L20-G23 PolarHBondContact O-N 3.19Å; L20-T24 WeakPolarHBondContact O-CB 3.48Å; L20-T24 PolarHBondContact O-N 3.47Å; L20-T24 PolarHBondContact O-OG1 3.04Å; L20-I39 HydrophobicContact CD2-CD1 3.93Å; L20-I39 HydrophobicContact CD2-CG1 3.8Å; L20-I39 HydrophobicContact CD2-CG2 4.13Å; L20-I42 HydrophobicContact CD1-CD1 4.18Å; L20-I42 HydrophobicContact CD2-CD1 4.25Å; L20-I42 HydrophobicContact CG-CD1 4.11Å; L20-L53 HydrophobicContact CD1-CD1 4.28Å; L20-L53 HydrophobicContact CD2-CD1 3.53Å; L20-Y56 HydrophobicContact CB-CD1 4.14Å; L20-Y56 HydrophobicContact CB-CE1 3.66Å; L20-Y56 HydrophobicContact CB-CE2 4.36Å; L20-Y56 HydrophobicContact CD1-CD1 4.31Å; L20-Y56 HydrophobicContact CD1-CG 4.38Å; L20-Y56 HydrophobicContact CD2-CD1 4.24Å; L20-Y56 HydrophobicContact CD2-CE1 4.36Å; L20-Y56 HydrophobicContact CG-CD1 4.48Å; L20-Y56 HydrophobicContact CG-CE1 4.45Å; L20-Y56 PolarHBondContact O-OH 3.17Å
21L97.3Very high95.8Very high78 Ų7859.3 Ų59.341%0.40832%0.318SS..Hα-helixtrans-62-40.4175.1-74.8165.1000111.2L17 S25 Y56L17-L21 HydrophobicContact CB-CD1 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 VanDerWaalsContact O-CG 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.48Å; L21-S25 PolarHBondContact O-N 3.41Å; L21-S25 VanDerWaalsContact O-N 3.08Å; L21-Y56 PolarHBondContact N-OH 2.8Å
22K97.6Very high96.1Very high111 Ų11157.1 Ų57.148%0.48331%0.31SS..Hα-helixtrans-69.5-34.4174.1-167.3-179.6-179.4-174.80112.8P18 I19 L20 Y34 L35P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 3.07Å; I19-K22 PolarHBondContact O-N 2.88Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.4Å; K22-Y34 PolarHBondContact NZ-OH 3.04Å; K22-L35 HydrophobicContact CB-CD1 4.13Å; K22-L35 HydrophobicContact CD-CD1 4.19Å; K22-L35 HydrophobicContact CG-CD1 3.96Å
23G97.1Very high96.5Very high0 Ų058.1 Ų58.10%033%0.326CS..Hα-helixtrans-77.7-22.1178.300000114.6I19 L20I19-G23 PolarHBondContact O-N 2.95Å; L20-G23 PolarHBondContact O-N 3.19Å
24T98.1Very high96.7Very high2 Ų264.4 Ų64.41%0.01235%0.351CS..SBendtrans-123.322.5-17560.40000113.3L20 Y56 L57 V72 I75L20-T24 WeakPolarHBondContact O-CB 3.48Å; L20-T24 PolarHBondContact O-N 3.47Å; L20-T24 PolarHBondContact O-OG1 3.04Å; T24-Y56 HydrophobicContact CG2-CE1 4.14Å; T24-Y56 WeakPolarHBondContact OG1-CE1 3.31Å; T24-Y56 PolarHBondContact OG1-OH 2.62Å; T24-L57 HydrophobicContact CG2-CD2 4.02Å; T24-V72 HydrophobicContact CG2-CG2 3.72Å; T24-I75 HydrophobicContact CG2-CD1 3.78Å
25S97.4Very high96.9Very high34 Ų3462 Ų6224%0.23834%0.338CS..  trans-61.2141177.465.90000111L21 D27 K71L21-S25 PolarHBondContact O-N 3.41Å; L21-S25 VanDerWaalsContact O-N 3.08Å; S25-D27 VanDerWaalsContact C-N 3.28Å; S25-D27 WeakPolarHBondContact CB-OD2 3.31Å; S25-D27 PolarHBondContact O-N 3.04Å; S25-D27 PolarHBondContact OG-OD2 3.38Å; S25-K71 VanDerWaalsContact O-CD 3.32Å; S25-K71 WeakPolarHBondContact O-CD 3.34Å; S25-K71 WeakPolarHBondContact O-CE 2.93Å; S25-K71 PolarHBondContact O-NZ 3.37Å; S25-K71 PolarHBondContact OG-NZ 2.56Å
26D96.7Very high97.1Very high45 Ų4556.4 Ų56.424%0.24131%0.312CS..SBendtrans-9163.1-170-145.3-10.5000111.8S64 S65 G68 A546D26-S64 WeakPolarHBondContact OD2-CA 3.19Å; D26-S64 WeakPolarHBondContact OD2-CB 3.05Å; D26-S64 PolarHBondContact OD2-OG 3.26Å; D26-S65 VanDerWaalsContact OD1-CB 3.26Å; D26-S65 WeakPolarHBondContact OD1-CB 3.32Å; D26-S65 PolarHBondContact OD1-N 3.03Å; D26-S65 PolarHBondContact OD1-OG 2.78Å; D26-S65 PolarHBondContact OD2-N 2.77Å; D26-G68 PolarHBondContact OD1-N 2.98Å; D26-A546 HydrophobicContact CB-CB 3.83Å
27D96.1Very high97.2Very high51 Ų5155.7 Ų55.727%0.27331%0.313SS..SBendtrans-143.2169-175.961.162.1000110.7S25 V29 H67 K71S25-D27 VanDerWaalsContact C-N 3.28Å; S25-D27 WeakPolarHBondContact CB-OD2 3.31Å; S25-D27 PolarHBondContact O-N 3.04Å; S25-D27 PolarHBondContact OG-OD2 3.38Å; D27-V29 VanDerWaalsContact C-N 3.31Å; D27-V29 PolarHBondContact O-N 3.22Å; D27-V29 VanDerWaalsContact OD1-CB 3.28Å; D27-V29 WeakPolarHBondContact OD1-CB 3.27Å; D27-V29 PolarHBondContact OD1-N 3.24Å; D27-H67 WeakPolarHBondContact O-CB 3.43Å; D27-K71 VanDerWaalsContact CG-NZ 3.34Å; D27-K71 WeakPolarHBondContact O-CE 3.13Å; D27-K71 PolarHBondContact O-NZ 3.15Å; D27-K71 IonicContact OD1-NZ 2.76Å; D27-K71 PolarHBondContact OD1-NZ 3.17Å; D27-K71 IonicContact OD2-NZ 2.87Å
28D94.4Very high97.4Very high128 Ų12857.7 Ų57.768%0.68432%0.321SS*.SBendtrans-76.6-10-177.966-31.1000115H67D28-H67 WeakPolarHBondContact CA-ND1 3.33Å
29V97.4Very high97.5Very high90 Ų9053.5 Ų53.555%0.54529%0.294SS..SBendtrans-70.7122-179.4-172.10000110D27 K71D27-V29 VanDerWaalsContact C-N 3.31Å; D27-V29 PolarHBondContact O-N 3.22Å; D27-V29 VanDerWaalsContact OD1-CB 3.28Å; D27-V29 WeakPolarHBondContact OD1-CB 3.27Å; D27-V29 PolarHBondContact OD1-N 3.24Å; V29-K71 WeakPolarHBondContact O-CE 3.45Å; V29-K71 PolarHBondContact O-NZ 2.88Å
30P96.9Very high97.5Very high108 Ų10851.9 Ų51.970%0.70129%0.286SS*.PPolyproline II helixtrans-63.6143.4-17725.5-34.4000111.9P32P30-P32 VanDerWaalsContact O-CD 3.28Å; P30-P32 WeakPolarHBondContact O-CD 3.4Å
31C97.7Very high97.5Very high16 Ų1656.5 Ų56.511%0.10831%0.306CS..PPolyproline II helixtrans-55.2121.9176179.10000110.6G33 F36C31-G33 PolarHBondContact O-N 3.31Å; C31-F36 HydrophobicContact CB-CE2 3.77Å; C31-F36 HydrophobicContact CB-CZ 3.97Å; C31-F36 VanDerWaalsContact SG-CE2 3.56Å
32P98Very high97.6Very high46 Ų4652.9 Ų52.930%0.29929%0.287SS..PPolyproline II helixtrans-55.9128.7176.3-29.535000113.2P30 Y34 L35P30-P32 VanDerWaalsContact O-CD 3.28Å; P30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-Y34 HydrophobicContact CB-CD1 3.75Å; P32-Y34 HydrophobicContact CB-CE1 3.5Å; P32-Y34 HydrophobicContact CG-CE1 4.39Å; P32-Y34 PolarHBondContact O-N 2.98Å; P32-L35 HydrophobicContact CB-CD1 4.18Å; P32-L35 HydrophobicContact CB-CG 4.34Å; P32-L35 HydrophobicContact CG-CD1 4.14Å; P32-L35 WeakPolarHBondContact O-CB 3.39Å; P32-L35 PolarHBondContact O-N 3.47Å
33G97.2Very high97.6Very high60 Ų6047.6 Ų47.662%0.61926%0.264SS*.THydrogen-bonded Turntrans-52.3-34.3-170.900000115.7C31 L35 F36C31-G33 PolarHBondContact O-N 3.31Å; G33-L35 PolarHBondContact O-N 3.13Å; G33-F36 WeakPolarHBondContact O-CD2 3.33Å; G33-F36 PolarHBondContact O-N 2.69Å
34Y98.3Very high97.6Very high133 Ų13353 Ų5352%0.52229%0.289SS..Hα-helixtrans-65.1-24.8178.377.8-90.7000113.8K22 P32 F36 E38K22-Y34 PolarHBondContact NZ-OH 3.04Å; P32-Y34 HydrophobicContact CB-CD1 3.75Å; P32-Y34 HydrophobicContact CB-CE1 3.5Å; P32-Y34 HydrophobicContact CG-CE1 4.39Å; P32-Y34 PolarHBondContact O-N 2.98Å; Y34-F36 VanDerWaalsContact C-N 3.29Å; Y34-F36 PolarHBondContact O-N 2.71Å; Y34-E38 HydrophobicContact CD2-CG 4.38Å; Y34-E38 WeakPolarHBondContact O-CG 3.48Å; Y34-E38 PolarHBondContact O-N 3.04Å
35L98.4Very high97.5Very high3 Ų356.2 Ų56.22%0.01630%0.304CS..Hα-helixtrans-70.8-24.7-180-64174.9000112.5I19 K22 P32 G33 E38 I39I19-L35 HydrophobicContact CG2-CD2 3.7Å; K22-L35 HydrophobicContact CB-CD1 4.13Å; K22-L35 HydrophobicContact CD-CD1 4.19Å; K22-L35 HydrophobicContact CG-CD1 3.96Å; P32-L35 HydrophobicContact CB-CD1 4.18Å; P32-L35 HydrophobicContact CB-CG 4.34Å; P32-L35 HydrophobicContact CG-CD1 4.14Å; P32-L35 WeakPolarHBondContact O-CB 3.39Å; P32-L35 PolarHBondContact O-N 3.47Å; G33-L35 PolarHBondContact O-N 3.13Å; L35-E38 PolarHBondContact O-N 3.35Å; L35-I39 HydrophobicContact CB-CD1 4.49Å; L35-I39 VanDerWaalsContact O-CB 3.28Å; L35-I39 WeakPolarHBondContact O-CB 3.06Å; L35-I39 WeakPolarHBondContact O-CD1 3.33Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.37Å
36F98.5Very high97.4Very high36 Ų3655.7 Ų55.716%0.15830%0.301CS..Hα-helixtrans-63.5-49.2177.5-72.1-95.2000111C31 G33 Y34 I39 A40 K74 I75 Y78C31-F36 HydrophobicContact CB-CE2 3.77Å; C31-F36 HydrophobicContact CB-CZ 3.97Å; C31-F36 VanDerWaalsContact SG-CE2 3.56Å; G33-F36 WeakPolarHBondContact O-CD2 3.33Å; G33-F36 PolarHBondContact O-N 2.69Å; Y34-F36 VanDerWaalsContact C-N 3.29Å; Y34-F36 PolarHBondContact O-N 2.71Å; F36-I39 PolarHBondContact O-N 3.01Å; F36-A40 PolarHBondContact O-N 3.31Å; F36-K74 HydrophobicContact CE1-CB 4.09Å; F36-K74 HydrophobicContact CZ-CB 4.33Å; F36-I75 HydrophobicContact CD1-CG1 4.07Å; F36-I75 HydrophobicContact CE1-CG1 3.81Å; F36-I75 HydrophobicContact CZ-CG1 4.4Å; F36-Y78 HydrophobicContact CB-CD1 3.7Å; F36-Y78 HydrophobicContact CB-CD2 4.19Å; F36-Y78 HydrophobicContact CB-CE1 3.7Å; F36-Y78 HydrophobicContact CB-CE2 4.2Å; F36-Y78 HydrophobicContact CB-CG 3.94Å; F36-Y78 HydrophobicContact CD1-CD1 4.24Å; F36-Y78 HydrophobicContact CD1-CD2 4.39Å; F36-Y78 AromaticContact CD1-CG 3.88Å; F36-Y78 HydrophobicContact CD1-CG 3.88Å; F36-Y78 HydrophobicContact CG-CD1 4.49Å; F36-Y78 HydrophobicContact CG-CG 4.36Å; F36-Y78 VanDerWaalsContact O-CE1 3.24Å; F36-Y78 WeakPolarHBondContact O-CE1 3.15Å
37E98.1Very high97.2Very high80 Ų8057.7 Ų57.737%0.37432%0.316SS..Hα-helixtrans-64.8-43175.4175.657.7-142.900111.7I39 A40 K41 Y78E37-I39 VanDerWaalsContact C-N 3.3Å; E37-I39 PolarHBondContact O-N 3.12Å; E37-A40 PolarHBondContact O-N 3.39Å; E37-K41 WeakPolarHBondContact O-CG 3.45Å; E37-K41 PolarHBondContact O-N 3.45Å; E37-K41 WeakPolarHBondContact OE1-CE 3.43Å; E37-K41 IonicContact OE1-NZ 2.67Å; E37-Y78 PolarHBondContact OE2-OH 3.4Å
38E98.3Very high97.1Very high66 Ų6655.3 Ų55.331%0.30830%0.303SS..Hα-helixtrans-61.9-36.4174.5-70.3-61.7107.400112.7I19 Y34 L35 K41 I42I19-E38 HydrophobicContact CG2-CB 4.03Å; Y34-E38 HydrophobicContact CD2-CG 4.38Å; Y34-E38 WeakPolarHBondContact O-CG 3.48Å; Y34-E38 PolarHBondContact O-N 3.04Å; L35-E38 PolarHBondContact O-N 3.35Å; E38-K41 PolarHBondContact O-N 3.08Å; E38-K41 IonicContact OE1-NZ 2.67Å; E38-K41 PolarHBondContact OE1-NZ 3.34Å; E38-I42 WeakPolarHBondContact O-CG1 3.44Å; E38-I42 PolarHBondContact O-N 3.17Å
39I98.5Very high97.1Very high0 Ų049.2 Ų49.20%027%0.271CS..Hα-helixtrans-73-35.8176.1-69.3166.2000111.4I19 L20 L35 F36 E37 K41 I42 L53 I75 L79I19-I39 HydrophobicContact CG2-CG1 4.09Å; L20-I39 HydrophobicContact CD2-CD1 3.93Å; L20-I39 HydrophobicContact CD2-CG1 3.8Å; L20-I39 HydrophobicContact CD2-CG2 4.13Å; L35-I39 HydrophobicContact CB-CD1 4.49Å; L35-I39 VanDerWaalsContact O-CB 3.28Å; L35-I39 WeakPolarHBondContact O-CB 3.06Å; L35-I39 WeakPolarHBondContact O-CD1 3.33Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.37Å; F36-I39 PolarHBondContact O-N 3.01Å; E37-I39 VanDerWaalsContact C-N 3.3Å; E37-I39 PolarHBondContact O-N 3.12Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 3.16Å; I39-I42 HydrophobicContact CG1-CD1 4.37Å; I39-I42 WeakPolarHBondContact O-CB 3.4Å; I39-I42 PolarHBondContact O-N 3.26Å; I39-L53 HydrophobicContact CG2-CD1 3.9Å; I39-L53 HydrophobicContact CG2-CD2 4.2Å; I39-I75 HydrophobicContact CD1-CD1 3.98Å; I39-I75 HydrophobicContact CD1-CG1 4.42Å; I39-I75 HydrophobicContact CD1-CG2 4.39Å; I39-I75 HydrophobicContact CG2-CG2 3.84Å; I39-L79 HydrophobicContact CG2-CD1 4.26Å
40A98.3Very high97Very high2 Ų245 Ų452%0.01725%0.245CC..Hα-helixtrans-59.4-42.2172.300000111.9F36 E37 I42 S43 H44 Y78 L79 H82F36-A40 PolarHBondContact O-N 3.31Å; E37-A40 PolarHBondContact O-N 3.39Å; A40-I42 VanDerWaalsContact C-N 3.3Å; A40-I42 PolarHBondContact O-N 3.3Å; A40-S43 WeakPolarHBondContact O-CB 3.36Å; A40-S43 PolarHBondContact O-N 3.29Å; A40-S43 PolarHBondContact O-OG 3.46Å; A40-H44 PolarHBondContact O-CD2 3.02Å; A40-H44 PolarHBondContact O-N 3.21Å; A40-Y78 HydrophobicContact CB-CE1 3.95Å; A40-L79 HydrophobicContact CB-CD2 3.99Å; A40-H82 HydrophobicContact CB-CB 3.93Å
41K98.2Very high96.9Very high97 Ų9741.8 Ų41.842%0.42222%0.221SC..Hα-helixtrans-57.5-38.7175.1-68.1168.7-163.2168.70113E37 E38 I39 S43 H44 E45E37-K41 WeakPolarHBondContact O-CG 3.45Å; E37-K41 PolarHBondContact O-N 3.45Å; E37-K41 WeakPolarHBondContact OE1-CE 3.43Å; E37-K41 IonicContact OE1-NZ 2.67Å; E38-K41 PolarHBondContact O-N 3.08Å; E38-K41 IonicContact OE1-NZ 2.67Å; E38-K41 PolarHBondContact OE1-NZ 3.34Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 3.16Å; K41-S43 PolarHBondContact O-N 2.97Å; K41-H44 PolarHBondContact O-N 2.88Å; K41-E45 PolarHBondContact O-N 3.28Å
42I98.1Very high96.8Very high2 Ų241 Ų411%0.0122%0.216CC..Hα-helixtrans-57.2-38.5175.5-54.2167.8000110.9F13 R16 L20 E38 I39 A40 H44 E45 S49 L53F13-I42 HydrophobicContact CD2-CG2 3.81Å; F13-I42 HydrophobicContact CE2-CG2 3.79Å; R16-I42 HydrophobicContact CB-CD1 3.72Å; R16-I42 HydrophobicContact CB-CG1 4.17Å; R16-I42 HydrophobicContact CG-CD1 4.12Å; R16-I42 HydrophobicContact CG-CG1 3.99Å; R16-I42 HydrophobicContact CG-CG2 4.38Å; L20-I42 HydrophobicContact CD1-CD1 4.18Å; L20-I42 HydrophobicContact CD2-CD1 4.25Å; L20-I42 HydrophobicContact CG-CD1 4.11Å; E38-I42 WeakPolarHBondContact O-CG1 3.44Å; E38-I42 PolarHBondContact O-N 3.17Å; I39-I42 HydrophobicContact CG1-CD1 4.37Å; I39-I42 WeakPolarHBondContact O-CB 3.4Å; I39-I42 PolarHBondContact O-N 3.26Å; A40-I42 VanDerWaalsContact C-N 3.3Å; A40-I42 PolarHBondContact O-N 3.3Å; I42-H44 VanDerWaalsContact C-N 3.26Å; I42-H44 PolarHBondContact O-N 2.97Å; I42-E45 PolarHBondContact O-N 3.48Å; I42-S49 WeakPolarHBondContact O-CB 3.1Å; I42-L53 HydrophobicContact CB-CD2 4.41Å
43S97.7Very high96.8Very high1 Ų138.8 Ų38.81%0.00720%0.201CC..Hα-helixtrans-68.2-23178.681.40000113.6A40 K41 S50 G83 S84A40-S43 WeakPolarHBondContact O-CB 3.36Å; A40-S43 PolarHBondContact O-N 3.29Å; A40-S43 PolarHBondContact O-OG 3.46Å; K41-S43 PolarHBondContact O-N 2.97Å; S43-S50 PolarHBondContact O-OG 3.47Å; S43-G83 WeakPolarHBondContact OG-CA 3.42Å; S43-S84 WeakPolarHBondContact O-CB 3.31Å; S43-S84 PolarHBondContact O-OG 3.04Å; S43-S84 PolarHBondContact OG-N 3.2Å
44H97.2Very high96.9Very high112 Ų11236.3 Ų36.352%0.51917%0.174SC..Hα-helixtrans-93.1-12.9179-66.5-72.5000114A40 K41 I42 S46 H82 S84A40-H44 PolarHBondContact O-CD2 3.02Å; A40-H44 PolarHBondContact O-N 3.21Å; K41-H44 PolarHBondContact O-N 2.88Å; I42-H44 VanDerWaalsContact C-N 3.26Å; I42-H44 PolarHBondContact O-N 2.97Å; H44-S46 PolarHBondContact O-N 3.15Å; H44-H82 PolarHBondContact NE2-O 3.25Å; H44-S84 VanDerWaalsContact CE1-CA 3.45Å; H44-S84 WeakPolarHBondContact CE1-CA 3.27Å; H44-S84 PolarHBondContact CE1-N 3.43Å; H44-S84 WeakPolarHBondContact ND1-CB 3.31Å
45E96Very high96.8Very high71 Ų7132.7 Ų32.733%0.33216%0.162SC..Hα-helixtrans-57.6-48.5177.2-70.2-178.7163.600112.7R16 K41 I42 S49R16-E45 IonicContact CZ-OE1 3.65Å; R16-E45 IonicContact NE-OE1 2.7Å; R16-E45 PolarHBondContact NE-OE1 3.44Å; R16-E45 IonicContact NH2-OE1 3.15Å; R16-E45 PolarHBondContact NH2-OE1 3.02Å; K41-E45 PolarHBondContact O-N 3.28Å; I42-E45 PolarHBondContact O-N 3.48Å; E45-S49 WeakPolarHBondContact CB-OG 3.2Å; E45-S49 WeakPolarHBondContact OE2-CB 3.44Å; E45-S49 PolarHBondContact OE2-OG 3.17Å
46S94.8Very high96.8Very high23 Ų2332.6 Ų32.616%0.16116%0.161CC..  trans-167.2163.1-179.371.10000111.9H44 G48 S49 S50H44-S46 PolarHBondContact O-N 3.15Å; S46-G48 PolarHBondContact O-N 2.93Å; S46-G48 PolarHBondContact OG-N 3.05Å; S46-S49 PolarHBondContact O-N 2.57Å; S46-S49 WeakPolarHBondContact OG-CB 3.42Å; S46-S49 PolarHBondContact OG-N 2.59Å; S46-S49 PolarHBondContact OG-OG 3.41Å; S46-S50 PolarHBondContact O-N 2.71Å; S46-S50 PolarHBondContact O-OG 3.06Å
47P93.2Very high96.8Very high86 Ų8630.9 Ų30.956%0.55815%0.154SC*.Hα-helixtrans-59.9-31.1167.9-23.935.2000113.2S50 Q51P47-S50 WeakPolarHBondContact O-CB 3.27Å; P47-S50 PolarHBondContact O-N 2.75Å; P47-Q51 WeakPolarHBondContact O-CG 3.41Å; P47-Q51 PolarHBondContact O-N 3.04Å
48G93.2Very high96.8Very high1 Ų127.6 Ų27.61%0.0114%0.138CC..Hα-helixtrans-71.8-41.1175.500000112.9D9 S46 S50 Q51 C52D9-G48 WeakPolarHBondContact OD2-CA 3.42Å; S46-G48 PolarHBondContact O-N 2.93Å; S46-G48 PolarHBondContact OG-N 3.05Å; G48-S50 VanDerWaalsContact C-N 3.3Å; G48-S50 PolarHBondContact O-N 3.03Å; G48-Q51 PolarHBondContact O-N 2.99Å; G48-C52 PolarHBondContact O-N 3.17Å; G48-C52 PolarHBondContact O-SG 3.45Å
49S95.4Very high96.7Very high1 Ų125 Ų251%0.00713%0.127CC..Hα-helixtrans-61.2-39.7171.4-58.20000110.7I42 E45 S46 C52 L53I42-S49 WeakPolarHBondContact O-CB 3.1Å; E45-S49 WeakPolarHBondContact CB-OG 3.2Å; E45-S49 WeakPolarHBondContact OE2-CB 3.44Å; E45-S49 PolarHBondContact OE2-OG 3.17Å; S46-S49 PolarHBondContact O-N 2.57Å; S46-S49 WeakPolarHBondContact OG-CB 3.42Å; S46-S49 PolarHBondContact OG-N 2.59Å; S46-S49 PolarHBondContact OG-OG 3.41Å; S49-C52 PolarHBondContact O-N 2.82Å; S49-L53 VanDerWaalsContact O-CB 3.23Å; S49-L53 WeakPolarHBondContact O-CB 3.14Å; S49-L53 PolarHBondContact O-N 3.45Å
50S96.1Very high96.6Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-59.3-45.4172-69.50000112.6S43 S46 P47 G48 L53 L54 S84 I90S43-S50 PolarHBondContact O-OG 3.47Å; S46-S50 PolarHBondContact O-N 2.71Å; S46-S50 PolarHBondContact O-OG 3.06Å; P47-S50 WeakPolarHBondContact O-CB 3.27Å; P47-S50 PolarHBondContact O-N 2.75Å; G48-S50 VanDerWaalsContact C-N 3.3Å; G48-S50 PolarHBondContact O-N 3.03Å; S50-L53 PolarHBondContact O-N 3.2Å; S50-L54 PolarHBondContact O-N 2.96Å; S50-S84 PolarHBondContact OG-OG 2.83Å; S50-S84 VanDerWaalsContact OG-OG 3.14Å; S50-I90 WeakPolarHBondContact O-CD1 3.4Å
51Q94.4Very high96.6Very high41 Ų4125.6 Ų25.619%0.19213%0.13CC..Hα-helixtrans-62.8-49177-73.5173.9-34.500111.7A3 P5 P47 G48 L53 L54 E55 I90A3-Q51 PolarHBondContact O-NE2 3.34Å; P5-Q51 VanDerWaalsContact CA-OE1 3.27Å; P5-Q51 HydrophobicContact CB-CB 4.17Å; P5-Q51 HydrophobicContact CG-CB 4.09Å; P47-Q51 WeakPolarHBondContact O-CG 3.41Å; P47-Q51 PolarHBondContact O-N 3.04Å; G48-Q51 PolarHBondContact O-N 2.99Å; Q51-L53 VanDerWaalsContact C-N 3.29Å; Q51-L53 PolarHBondContact O-N 3.18Å; Q51-L54 PolarHBondContact O-N 3.05Å; Q51-E55 PolarHBondContact O-N 2.56Å; Q51-I90 HydrophobicContact CB-CD1 4.47Å; Q51-I90 HydrophobicContact CG-CD1 4.08Å
52C95.3Very high96.5Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-61.9-37.4178.3-60.40000112F13 G48 S49 Y56 L538F13-C52 HydrophobicContact CB-CB 3.91Å; F13-C52 HydrophobicContact CD1-CB 3.75Å; F13-C52 HydrophobicContact CD2-CB 3.52Å; F13-C52 HydrophobicContact CE1-CB 4.14Å; F13-C52 HydrophobicContact CE2-CB 3.92Å; F13-C52 HydrophobicContact CG-CB 3.41Å; F13-C52 VanDerWaalsContact CG-CB 3.41Å; F13-C52 HydrophobicContact CZ-CB 4.2Å; F13-C52 WeakPolarHBondContact CZ-O 3.44Å; G48-C52 PolarHBondContact O-N 3.17Å; G48-C52 PolarHBondContact O-SG 3.45Å; S49-C52 PolarHBondContact O-N 2.82Å; C52-Y56 WeakPolarHBondContact O-CB 3.36Å; C52-Y56 PolarHBondContact O-N 3.08Å; C52-L538 HydrophobicContact CB-CD1 4.37Å
53L98.3Very high96.3Very high0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-62.7-45.3174.7-177.759.6000111.7F13 L20 I39 I42 S49 S50 Q51 Y56 L57 L79 F87F13-L53 VanDerWaalsContact CE2-CA 3.41Å; F13-L53 HydrophobicContact CE2-CB 3.78Å; F13-L53 HydrophobicContact CE2-CD1 4.21Å; F13-L53 VanDerWaalsContact CE2-N 3.27Å; F13-L53 HydrophobicContact CZ-CB 4.39Å; F13-L53 HydrophobicContact CZ-CD1 4.44Å; L20-L53 HydrophobicContact CD1-CD1 4.28Å; L20-L53 HydrophobicContact CD2-CD1 3.53Å; I39-L53 HydrophobicContact CG2-CD1 3.9Å; I39-L53 HydrophobicContact CG2-CD2 4.2Å; I42-L53 HydrophobicContact CB-CD2 4.41Å; S49-L53 VanDerWaalsContact O-CB 3.23Å; S49-L53 WeakPolarHBondContact O-CB 3.14Å; S49-L53 PolarHBondContact O-N 3.45Å; S50-L53 PolarHBondContact O-N 3.2Å; Q51-L53 VanDerWaalsContact C-N 3.29Å; Q51-L53 PolarHBondContact O-N 3.18Å; L53-Y56 PolarHBondContact O-N 3.49Å; L53-L57 HydrophobicContact CD1-CD1 3.88Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 3.94Å; L53-L57 WeakPolarHBondContact O-CB 3.48Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.22Å; L53-L79 HydrophobicContact CD2-CD1 4.23Å; L53-F87 HydrophobicContact CB-CD2 4.46Å; L53-F87 HydrophobicContact CB-CE2 4.2Å; L53-F87 HydrophobicContact CD2-CD2 4.09Å; L53-F87 HydrophobicContact CD2-CE2 3.91Å; L53-F87 HydrophobicContact CG-CD2 4.37Å; L53-F87 HydrophobicContact CG-CE2 3.85Å
54L97.9Very high96.2Very high8 Ų828.4 Ų28.44%0.04215%0.154CC..Hα-helixtrans-67.9-43.1178.5-173.367.2000111.5S50 Q51 Y56 L57 L58 F87 I90 L91 N94S50-L54 PolarHBondContact O-N 2.96Å; Q51-L54 PolarHBondContact O-N 3.05Å; L54-Y56 VanDerWaalsContact C-N 3.31Å; L54-Y56 PolarHBondContact O-N 3.42Å; L54-L57 PolarHBondContact O-N 3.06Å; L54-L58 HydrophobicContact CD1-CD1 3.81Å; L54-L58 HydrophobicContact CD1-CD2 4.15Å; L54-L58 HydrophobicContact CD1-CG 3.73Å; L54-L58 HydrophobicContact CD2-CD1 4.05Å; L54-L58 HydrophobicContact CG-CD1 3.66Å; L54-L58 HydrophobicContact CG-CG 3.94Å; L54-L58 WeakPolarHBondContact O-CB 3.23Å; L54-L58 WeakPolarHBondContact O-CG 3.41Å; L54-L58 PolarHBondContact O-N 2.91Å; L54-F87 HydrophobicContact CB-CD2 4.37Å; L54-F87 HydrophobicContact CB-CE2 3.82Å; L54-F87 HydrophobicContact CD1-CE2 4.06Å; L54-F87 HydrophobicContact CD1-CZ 4.01Å; L54-I90 HydrophobicContact CB-CD1 3.86Å; L54-I90 HydrophobicContact CB-CG1 4.48Å; L54-I90 HydrophobicContact CD2-CB 3.87Å; L54-I90 HydrophobicContact CD2-CD1 3.85Å; L54-I90 HydrophobicContact CD2-CG1 3.7Å; L54-I90 WeakPolarHBondContact CD2-O 3.26Å; L54-I90 HydrophobicContact CG-CD1 4.5Å; L54-L91 HydrophobicContact CD1-CB 4.27Å; L54-L91 HydrophobicContact CD1-CD1 3.65Å; L54-N94 HydrophobicContact CD2-CB 4.5Å
55E96.4Very high96Very high56 Ų5625.5 Ų25.526%0.26215%0.147SC..Hα-helixtrans-55.3-46.8174.6-77.3-176.4-140.500111.4Q51 S59 S537 L538 F539Q51-E55 PolarHBondContact O-N 2.56Å; E55-S59 WeakPolarHBondContact O-CB 3.41Å; E55-S59 PolarHBondContact O-N 3.23Å; E55-S537 VanDerWaalsContact OE2-CA 3.31Å; E55-S537 WeakPolarHBondContact OE2-CA 3.3Å; E55-S537 VanDerWaalsContact OE2-CB 3.27Å; E55-S537 WeakPolarHBondContact OE2-CB 3.06Å; E55-S537 PolarHBondContact OE2-OG 3.37Å; E55-L538 PolarHBondContact OE2-N 3.47Å; E55-F539 HydrophobicContact CB-CD2 4.36Å; E55-F539 HydrophobicContact CB-CE2 4.23Å
56Y98.2Very high96Very high1 Ų122.4 Ų22.40%0.00413%0.133CC..Hα-helixtrans-61.7-49.4177.2-180-85.3000112.3F13 L17 L20 L21 T24 C52 L53 L54 S59 R60 F539F13-Y56 HydrophobicContact CZ-CG 4.48Å; L17-Y56 HydrophobicContact CD2-CD2 3.77Å; L17-Y56 HydrophobicContact CD2-CE2 3.84Å; L20-Y56 HydrophobicContact CB-CD1 4.14Å; L20-Y56 HydrophobicContact CB-CE1 3.66Å; L20-Y56 HydrophobicContact CB-CE2 4.36Å; L20-Y56 HydrophobicContact CD1-CD1 4.31Å; L20-Y56 HydrophobicContact CD1-CG 4.38Å; L20-Y56 HydrophobicContact CD2-CD1 4.24Å; L20-Y56 HydrophobicContact CD2-CE1 4.36Å; L20-Y56 HydrophobicContact CG-CD1 4.48Å; L20-Y56 HydrophobicContact CG-CE1 4.45Å; L20-Y56 PolarHBondContact O-OH 3.17Å; L21-Y56 PolarHBondContact N-OH 2.8Å; T24-Y56 HydrophobicContact CG2-CE1 4.14Å; T24-Y56 WeakPolarHBondContact OG1-CE1 3.31Å; T24-Y56 PolarHBondContact OG1-OH 2.62Å; C52-Y56 WeakPolarHBondContact O-CB 3.36Å; C52-Y56 PolarHBondContact O-N 3.08Å; L53-Y56 PolarHBondContact O-N 3.49Å; L54-Y56 VanDerWaalsContact C-N 3.31Å; L54-Y56 PolarHBondContact O-N 3.42Å; Y56-S59 PolarHBondContact O-N 3.29Å; Y56-R60 HydrophobicContact CD1-CG 4.31Å; Y56-R60 HydrophobicContact CE1-CG 3.8Å; Y56-R60 WeakPolarHBondContact O-CG 3.45Å; Y56-R60 PolarHBondContact O-N 3.39Å; Y56-R60 PolarHBondContact OH-NE 2.95Å; Y56-R60 PolarHBondContact OH-NH2 2.7Å; Y56-F539 AromaticContact CD2-CE1 3.96Å; Y56-F539 HydrophobicContact CD2-CE1 3.96Å; Y56-F539 HydrophobicContact CD2-CE2 4.35Å; Y56-F539 AromaticContact CD2-CZ 3.8Å; Y56-F539 HydrophobicContact CD2-CZ 3.8Å; Y56-F539 HydrophobicContact CG-CZ 4.37Å
57L98.5Very high96.1Very high0 Ų024.4 Ų24.40%014%0.14CC..Hα-helixtrans-68.1-41.2-176.3-69.9174000111.9T24 L53 L54 R60 L61 V72 I75 L76 L79 F87T24-L57 HydrophobicContact CG2-CD2 4.02Å; L53-L57 HydrophobicContact CD1-CD1 3.88Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 3.94Å; L53-L57 WeakPolarHBondContact O-CB 3.48Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.22Å; L54-L57 PolarHBondContact O-N 3.06Å; L57-R60 PolarHBondContact O-N 3.09Å; L57-L61 WeakPolarHBondContact O-CB 3.48Å; L57-L61 PolarHBondContact O-N 2.76Å; L57-V72 HydrophobicContact CB-CG1 4.16Å; L57-V72 HydrophobicContact CD2-CG1 4.26Å; L57-V72 HydrophobicContact CD2-CG2 4.34Å; L57-V72 WeakPolarHBondContact O-CG1 3.45Å; L57-I75 HydrophobicContact CD1-CG2 3.98Å; L57-I75 HydrophobicContact CD2-CG2 4.06Å; L57-L76 HydrophobicContact CB-CD2 4.24Å; L57-L76 HydrophobicContact CD1-CD2 3.77Å; L57-L79 HydrophobicContact CD1-CD1 3.9Å; L57-F87 HydrophobicContact CD1-CZ 4.16Å
58L97.7Very high96.4Very high11 Ų1120.3 Ų20.36%0.05811%0.113CC..Hα-helixtrans-69.8-36176.3-63.8-177.7000112.2L54 L61 H62 N94 F97L54-L58 HydrophobicContact CD1-CD1 3.81Å; L54-L58 HydrophobicContact CD1-CD2 4.15Å; L54-L58 HydrophobicContact CD1-CG 3.73Å; L54-L58 HydrophobicContact CD2-CD1 4.05Å; L54-L58 HydrophobicContact CG-CD1 3.66Å; L54-L58 HydrophobicContact CG-CG 3.94Å; L54-L58 WeakPolarHBondContact O-CB 3.23Å; L54-L58 WeakPolarHBondContact O-CG 3.41Å; L54-L58 PolarHBondContact O-N 2.91Å; L58-L61 HydrophobicContact CD2-CD2 4.32Å; L58-L61 PolarHBondContact O-N 2.93Å; L58-H62 PolarHBondContact O-N 3.02Å; L58-N94 HydrophobicContact CD1-CB 3.59Å; L58-F97 HydrophobicContact CB-CG 4.48Å; L58-F97 HydrophobicContact CD1-CD2 3.85Å; L58-F97 HydrophobicContact CD1-CE2 4.05Å; L58-F97 HydrophobicContact CD1-CG 4.41Å; L58-F97 HydrophobicContact CD2-CB 3.82Å; L58-F97 HydrophobicContact CD2-CD2 4.26Å; L58-F97 HydrophobicContact CD2-CG 4.06Å; L58-F97 HydrophobicContact CG-CD2 4.46Å
59S97.4Very high96.6Very high11 Ų1121.1 Ų21.18%0.07712%0.117CC..Hα-helixtrans-57.3-49.3171.41800000111E55 Y56 H62 S63E55-S59 WeakPolarHBondContact O-CB 3.41Å; E55-S59 PolarHBondContact O-N 3.23Å; Y56-S59 PolarHBondContact O-N 3.29Å; S59-H62 PolarHBondContact O-N 3.35Å; S59-S63 WeakPolarHBondContact O-CB 2.99Å; S59-S63 PolarHBondContact O-N 3.15Å; S59-S63 PolarHBondContact O-OG 3.28Å
60R96.9Very high96.8Very high12 Ų1222.7 Ų22.75%0.04513%0.125CC..Hα-helixtrans-59.7-46.3172.1-71.9-77.6172.3-76.4-8.9113Y56 L57 H62 S63 S64 V72 L544Y56-R60 HydrophobicContact CD1-CG 4.31Å; Y56-R60 HydrophobicContact CE1-CG 3.8Å; Y56-R60 WeakPolarHBondContact O-CG 3.45Å; Y56-R60 PolarHBondContact O-N 3.39Å; Y56-R60 PolarHBondContact OH-NE 2.95Å; Y56-R60 PolarHBondContact OH-NH2 2.7Å; L57-R60 PolarHBondContact O-N 3.09Å; R60-H62 PolarHBondContact O-N 2.78Å; R60-S63 PolarHBondContact O-N 3.06Å; R60-S64 VanDerWaalsContact O-CB 3.27Å; R60-S64 WeakPolarHBondContact O-CB 3.28Å; R60-S64 PolarHBondContact O-N 3.01Å; R60-V72 HydrophobicContact CB-CG2 3.53Å; R60-V72 HydrophobicContact CG-CG2 4.37Å; R60-L544 VanDerWaalsContact NH1-CD1 3.26Å
61L97.8Very high96.9Very high4 Ų423.4 Ų23.42%0.02113%0.128CC..Hα-helixtrans-59.7-34.3-178.6-171.655.7000111.7L57 L58 K69 V72 L73 L76 F97 A101L57-L61 WeakPolarHBondContact O-CB 3.48Å; L57-L61 PolarHBondContact O-N 2.76Å; L58-L61 HydrophobicContact CD2-CD2 4.32Å; L58-L61 PolarHBondContact O-N 2.93Å; L61-K69 HydrophobicContact CD1-CB 4.14Å; L61-K69 HydrophobicContact CD1-CG 4.31Å; L61-K69 WeakPolarHBondContact O-CD 3.28Å; L61-K69 WeakPolarHBondContact O-CG 3.37Å; L61-K69 PolarHBondContact O-NZ 3.4Å; L61-V72 HydrophobicContact CB-CG1 3.99Å; L61-V72 HydrophobicContact CD1-CG1 4.35Å; L61-L73 HydrophobicContact CD1-CD1 4.31Å; L61-L73 HydrophobicContact CD1-CD2 3.87Å; L61-L73 HydrophobicContact CD1-CG 3.78Å; L61-L73 HydrophobicContact CD2-CD2 4.12Å; L61-L76 HydrophobicContact CD2-CD1 4.19Å; L61-F97 HydrophobicContact CD2-CB 4.26Å; L61-A101 HydrophobicContact CD1-CB 3.94Å; L61-A101 HydrophobicContact CD2-CB 4.33Å; L61-A101 HydrophobicContact CG-CB 4.29Å
62H95.7Very high97.1Very high67 Ų6721.5 Ų21.531%0.3112%0.119SC..Hα-helixtrans-79.8-48.4174.8-165.669.9000112.2L58 S59 R60 K69 F97 E100L58-H62 PolarHBondContact O-N 3.02Å; S59-H62 PolarHBondContact O-N 3.35Å; R60-H62 PolarHBondContact O-N 2.78Å; H62-K69 PolarHBondContact O-NZ 3.06Å; H62-F97 HydrophobicContact CB-CD1 4.47Å; H62-F97 HydrophobicContact CB-CE1 4.37Å; H62-E100 IonicContact CE1-OE1 3.51Å; H62-E100 PolarHBondContact CE1-OE1 3.3Å; H62-E100 VanDerWaalsContact CE1-OE1 3.22Å; H62-E100 IonicContact CE1-OE2 3.99Å; H62-E100 IonicContact CG-OE2 3.22Å; H62-E100 IonicContact ND1-OE1 2.87Å; H62-E100 PolarHBondContact ND1-OE1 2.86Å; H62-E100 IonicContact ND1-OE2 3.22Å; H62-E100 PolarHBondContact ND1-OE2 3.13Å
63S94.1Very high97.2Very high78 Ų7821.5 Ų21.555%0.54512%0.119SC..Hα-helixtrans-83.6-32.4-169.576.80000116.4S59 R60S59-S63 WeakPolarHBondContact O-CB 2.99Å; S59-S63 PolarHBondContact O-N 3.15Å; S59-S63 PolarHBondContact O-OG 3.28Å; R60-S63 PolarHBondContact O-N 3.06Å
64S94.9Very high97.2Very high14 Ų1426.8 Ų26.810%0.09814%0.142CC..SBendtrans-75.2163.6-170-78.60000114.3D26 R60 K69D26-S64 WeakPolarHBondContact OD2-CA 3.19Å; D26-S64 WeakPolarHBondContact OD2-CB 3.05Å; D26-S64 PolarHBondContact OD2-OG 3.26Å; R60-S64 VanDerWaalsContact O-CB 3.27Å; R60-S64 WeakPolarHBondContact O-CB 3.28Å; R60-S64 PolarHBondContact O-N 3.01Å; S64-K69 WeakPolarHBondContact O-CE 3.49Å; S64-K69 PolarHBondContact O-NZ 2.78Å
65S94.6Very high97.3Very high51 Ų5126.4 Ų26.436%0.35714%0.14SC..  trans-61.9173166.295.20000111.6D26 H67 G68 K69D26-S65 VanDerWaalsContact OD1-CB 3.26Å; D26-S65 WeakPolarHBondContact OD1-CB 3.32Å; D26-S65 PolarHBondContact OD1-N 3.03Å; D26-S65 PolarHBondContact OD1-OG 2.78Å; D26-S65 PolarHBondContact OD2-N 2.77Å; S65-H67 PolarHBondContact O-N 3.17Å; S65-H67 PolarHBondContact OG-N 3.36Å; S65-H67 VanDerWaalsContact OG-N 3.15Å; S65-G68 PolarHBondContact O-N 2.88Å; S65-K69 WeakPolarHBondContact O-CG 3.11Å; S65-K69 PolarHBondContact O-N 2.95Å
66G95.9Very high97.4Very high5 Ų523.8 Ų23.85%0.05213%0.128CC..Hα-helixtrans-54.1-26.9175.800000114.1L70 V120G66-L70 VanDerWaalsContact O-CB 3.27Å; G66-L70 WeakPolarHBondContact O-CB 3.37Å; G66-L70 PolarHBondContact O-N 2.93Å; G66-V120 WeakPolarHBondContact O-CG2 3.49Å
67H97.1Very high97.4Very high65 Ų6525.6 Ų25.630%0.30114%0.137SC..Hα-helixtrans-69.6-57.3176.5-68.1-85000112.1D27 D28 S65 K69 L70 K71 L116D27-H67 WeakPolarHBondContact O-CB 3.43Å; D28-H67 WeakPolarHBondContact CA-ND1 3.33Å; S65-H67 PolarHBondContact O-N 3.17Å; S65-H67 PolarHBondContact OG-N 3.36Å; S65-H67 VanDerWaalsContact OG-N 3.15Å; H67-K69 VanDerWaalsContact C-N 3.3Å; H67-K69 PolarHBondContact O-N 3.4Å; H67-L70 PolarHBondContact O-N 3.47Å; H67-L70 VanDerWaalsContact O-N 3.13Å; H67-K71 PolarHBondContact O-N 3.31Å; H67-L116 WeakPolarHBondContact NE2-CD2 3.35Å
68G97.7Very high97.4Very high0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-58.4-40.217500000112.5D26 S65 L70 K71 V72D26-G68 PolarHBondContact OD1-N 2.98Å; S65-G68 PolarHBondContact O-N 2.88Å; G68-L70 PolarHBondContact O-N 3.02Å; G68-K71 PolarHBondContact O-N 3.25Å; G68-V72 VanDerWaalsContact O-CG2 3.31Å; G68-V72 WeakPolarHBondContact O-CG2 3.2Å; G68-V72 PolarHBondContact O-N 3.03Å
69K98.4Very high97.4Very high19 Ų1927.9 Ų27.98%0.08315%0.145CC..Hα-helixtrans-57.7-46.8173.1-66.9-168.6-162.2-42.20111.9L61 H62 S64 S65 H67 K71 V72 L73 F104 V120L61-K69 HydrophobicContact CD1-CB 4.14Å; L61-K69 HydrophobicContact CD1-CG 4.31Å; L61-K69 WeakPolarHBondContact O-CD 3.28Å; L61-K69 WeakPolarHBondContact O-CG 3.37Å; L61-K69 PolarHBondContact O-NZ 3.4Å; H62-K69 PolarHBondContact O-NZ 3.06Å; S64-K69 WeakPolarHBondContact O-CE 3.49Å; S64-K69 PolarHBondContact O-NZ 2.78Å; S65-K69 WeakPolarHBondContact O-CG 3.11Å; S65-K69 PolarHBondContact O-N 2.95Å; H67-K69 VanDerWaalsContact C-N 3.3Å; H67-K69 PolarHBondContact O-N 3.4Å; K69-K71 PolarHBondContact O-N 3.35Å; K69-V72 PolarHBondContact O-N 3.43Å; K69-L73 VanDerWaalsContact O-CG 3.31Å; K69-L73 WeakPolarHBondContact O-CG 3.28Å; K69-L73 PolarHBondContact O-N 2.97Å; K69-F104 HydrophobicContact CD-CD1 4.46Å; K69-F104 HydrophobicContact CD-CD2 3.96Å; K69-F104 HydrophobicContact CD-CE1 4.34Å; K69-F104 HydrophobicContact CD-CE2 3.86Å; K69-F104 HydrophobicContact CD-CG 4.27Å; K69-F104 HydrophobicContact CD-CZ 4.05Å; K69-V120 HydrophobicContact CB-CG1 4.15Å; K69-V120 HydrophobicContact CB-CG2 4.22Å; K69-V120 HydrophobicContact CD-CG1 4.48Å
70L98.4Very high97.4Very high33 Ų3327.9 Ų27.917%0.17315%0.146CC..Hα-helixtrans-64.5-39.4179.6-176.659.8000112.6G66 H67 G68 K74 L116 K119 V120 A123G66-L70 VanDerWaalsContact O-CB 3.27Å; G66-L70 WeakPolarHBondContact O-CB 3.37Å; G66-L70 PolarHBondContact O-N 2.93Å; H67-L70 PolarHBondContact O-N 3.47Å; H67-L70 VanDerWaalsContact O-N 3.13Å; G68-L70 PolarHBondContact O-N 3.02Å; L70-K74 PolarHBondContact O-N 2.91Å; L70-K74 VanDerWaalsContact O-N 3.17Å; L70-L116 HydrophobicContact CD2-CD1 4.48Å; L70-K119 HydrophobicContact CD1-CB 4.26Å; L70-K119 HydrophobicContact CD2-CB 4Å; L70-K119 HydrophobicContact CD2-CD 4.48Å; L70-V120 HydrophobicContact CB-CG2 4.02Å; L70-A123 HydrophobicContact CD1-CB 3.8Å
71K98.6Very high97.3Very high16 Ų1631.7 Ų31.77%0.0717%0.174CC..Hα-helixtrans-63.4-45.8174.7-65.2-177.1-163.3-175.50111.4S25 D27 V29 H67 G68 K69 K74 I75S25-K71 VanDerWaalsContact O-CD 3.32Å; S25-K71 WeakPolarHBondContact O-CD 3.34Å; S25-K71 WeakPolarHBondContact O-CE 2.93Å; S25-K71 PolarHBondContact O-NZ 3.37Å; S25-K71 PolarHBondContact OG-NZ 2.56Å; D27-K71 VanDerWaalsContact CG-NZ 3.34Å; D27-K71 WeakPolarHBondContact O-CE 3.13Å; D27-K71 PolarHBondContact O-NZ 3.15Å; D27-K71 IonicContact OD1-NZ 2.76Å; D27-K71 PolarHBondContact OD1-NZ 3.17Å; D27-K71 IonicContact OD2-NZ 2.87Å; V29-K71 WeakPolarHBondContact O-CE 3.45Å; V29-K71 PolarHBondContact O-NZ 2.88Å; H67-K71 PolarHBondContact O-N 3.31Å; G68-K71 PolarHBondContact O-N 3.25Å; K69-K71 PolarHBondContact O-N 3.35Å; K71-K74 PolarHBondContact O-N 3.18Å; K71-I75 WeakPolarHBondContact O-CG1 3.33Å; K71-I75 PolarHBondContact O-N 2.94Å
72V98.8Very high97.3Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-61.4-46.3177171.40000112.1T24 L57 R60 L61 G68 K69 K74 I75 L76T24-V72 HydrophobicContact CG2-CG2 3.72Å; L57-V72 HydrophobicContact CB-CG1 4.16Å; L57-V72 HydrophobicContact CD2-CG1 4.26Å; L57-V72 HydrophobicContact CD2-CG2 4.34Å; L57-V72 WeakPolarHBondContact O-CG1 3.45Å; R60-V72 HydrophobicContact CB-CG2 3.53Å; R60-V72 HydrophobicContact CG-CG2 4.37Å; L61-V72 HydrophobicContact CB-CG1 3.99Å; L61-V72 HydrophobicContact CD1-CG1 4.35Å; G68-V72 VanDerWaalsContact O-CG2 3.31Å; G68-V72 WeakPolarHBondContact O-CG2 3.2Å; G68-V72 PolarHBondContact O-N 3.03Å; K69-V72 PolarHBondContact O-N 3.43Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 2.99Å; V72-I75 WeakPolarHBondContact O-CB 3.42Å; V72-I75 PolarHBondContact O-N 3.19Å; V72-I75 VanDerWaalsContact O-N 3.1Å; V72-L76 HydrophobicContact CG1-CD1 3.85Å; V72-L76 HydrophobicContact CG1-CG 4.14Å; V72-L76 WeakPolarHBondContact O-CG 3.4Å; V72-L76 PolarHBondContact O-N 3.02Å
73L98.7Very high97.4Very high1 Ų133 Ų331%0.00518%0.183CC..Hα-helixtrans-60.3-40.1179.2-71.7168.5000111.9L61 K69 L76 L77 A101 V120 A123 A124 L127L61-L73 HydrophobicContact CD1-CD1 4.31Å; L61-L73 HydrophobicContact CD1-CD2 3.87Å; L61-L73 HydrophobicContact CD1-CG 3.78Å; L61-L73 HydrophobicContact CD2-CD2 4.12Å; K69-L73 VanDerWaalsContact O-CG 3.31Å; K69-L73 WeakPolarHBondContact O-CG 3.28Å; K69-L73 PolarHBondContact O-N 2.97Å; L73-L76 PolarHBondContact O-N 3.06Å; L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 PolarHBondContact O-N 3.44Å; L73-A101 HydrophobicContact CD1-CB 4.26Å; L73-A101 HydrophobicContact CD2-CB 4.17Å; L73-V120 HydrophobicContact CD1-CG1 3.81Å; L73-V120 VanDerWaalsContact CD1-O 3.31Å; L73-V120 WeakPolarHBondContact CD1-O 3.32Å; L73-A123 HydrophobicContact CB-CB 3.92Å; L73-A123 HydrophobicContact CD1-CB 4.06Å; L73-A124 HydrophobicContact CD1-CB 3.95Å; L73-A124 HydrophobicContact CD2-CB 3.98Å; L73-L127 HydrophobicContact CD2-CD2 3.7Å
74K98.5Very high97.5Very high110 Ų11029.7 Ų29.748%0.47816%0.16SC..Hα-helixtrans-64.7-38.7173.6-75.2-177.1171.4-66.40112.7F36 L70 K71 V72 L77 Y78F36-K74 HydrophobicContact CE1-CB 4.09Å; F36-K74 HydrophobicContact CZ-CB 4.33Å; L70-K74 PolarHBondContact O-N 2.91Å; L70-K74 VanDerWaalsContact O-N 3.17Å; K71-K74 PolarHBondContact O-N 3.18Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 2.99Å; K74-L77 PolarHBondContact O-N 2.88Å; K74-Y78 WeakPolarHBondContact O-CB 3.4Å; K74-Y78 PolarHBondContact O-N 3.45Å
75I98.7Very high97.5Very high1 Ų134 Ų341%0.00519%0.19CC..Hα-helixtrans-65.5-45.1175-71.7161.6000110.6T24 F36 I39 L57 K71 V72 L77 Y78 L79T24-I75 HydrophobicContact CG2-CD1 3.78Å; F36-I75 HydrophobicContact CD1-CG1 4.07Å; F36-I75 HydrophobicContact CE1-CG1 3.81Å; F36-I75 HydrophobicContact CZ-CG1 4.4Å; I39-I75 HydrophobicContact CD1-CD1 3.98Å; I39-I75 HydrophobicContact CD1-CG1 4.42Å; I39-I75 HydrophobicContact CD1-CG2 4.39Å; I39-I75 HydrophobicContact CG2-CG2 3.84Å; L57-I75 HydrophobicContact CD1-CG2 3.98Å; L57-I75 HydrophobicContact CD2-CG2 4.06Å; K71-I75 WeakPolarHBondContact O-CG1 3.33Å; K71-I75 PolarHBondContact O-N 2.94Å; V72-I75 WeakPolarHBondContact O-CB 3.42Å; V72-I75 PolarHBondContact O-N 3.19Å; V72-I75 VanDerWaalsContact O-N 3.1Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 3.48Å; I75-Y78 PolarHBondContact O-N 2.98Å; I75-L79 HydrophobicContact CG2-CD1 3.89Å; I75-L79 HydrophobicContact CG2-CG 4.49Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 VanDerWaalsContact O-CG 3.24Å; I75-L79 WeakPolarHBondContact O-CG 3.38Å; I75-L79 PolarHBondContact O-N 3.36Å
76L98.5Very high97.5Very high0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-62-40.5176.5-69.9175.5000112.1L57 L61 V72 L73 L79 C80 F87 L91 L127L57-L76 HydrophobicContact CB-CD2 4.24Å; L57-L76 HydrophobicContact CD1-CD2 3.77Å; L61-L76 HydrophobicContact CD2-CD1 4.19Å; V72-L76 HydrophobicContact CG1-CD1 3.85Å; V72-L76 HydrophobicContact CG1-CG 4.14Å; V72-L76 WeakPolarHBondContact O-CG 3.4Å; V72-L76 PolarHBondContact O-N 3.02Å; L73-L76 PolarHBondContact O-N 3.06Å; L76-L79 PolarHBondContact O-N 2.94Å; L76-C80 PolarHBondContact O-N 2.78Å; L76-C80 VanDerWaalsContact O-N 3.17Å; L76-C80 PolarHBondContact O-SG 3.46Å; L76-C80 VanDerWaalsContact O-SG 3.35Å; L76-F87 HydrophobicContact CD2-CE1 4.19Å; L76-F87 HydrophobicContact CD2-CZ 3.75Å; L76-L91 HydrophobicContact CD1-CD1 4.42Å; L76-L91 HydrophobicContact CD2-CD1 3.99Å; L76-L91 HydrophobicContact CD2-CD2 4.26Å; L76-L127 HydrophobicContact CB-CD1 3.96Å; L76-L127 HydrophobicContact CB-CD2 3.66Å; L76-L127 HydrophobicContact CB-CG 4.49Å; L76-L127 HydrophobicContact CD1-CD2 3.93Å; L76-L127 HydrophobicContact CG-CD2 4.46Å
77L98.3Very high97.6Very high39 Ų3934 Ų3420%0.20419%0.19CC..Hα-helixtrans-63.6-45.3175.9178.968000111.6L73 K74 I75 L79 C80 D126 L127 T130L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 PolarHBondContact O-N 3.44Å; K74-L77 PolarHBondContact O-N 2.88Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 3.48Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.29Å; L77-C80 VanDerWaalsContact O-CB 3.24Å; L77-C80 WeakPolarHBondContact O-CB 3.46Å; L77-C80 PolarHBondContact O-N 2.78Å; L77-C80 VanDerWaalsContact O-N 3.09Å; L77-D126 WeakPolarHBondContact CD2-OD2 3.26Å; L77-L127 HydrophobicContact CB-CD1 4.46Å; L77-T130 HydrophobicContact CD1-CG2 4.08Å; L77-T130 WeakPolarHBondContact CD1-OG1 3.44Å
78Y98.5Very high97.5Very high59 Ų5932.7 Ų32.723%0.23119%0.185CC..Hα-helixtrans-61.2-40.2174.6-179.4-96.3000112.1F36 E37 A40 K74 I75 C80 S81 H82F36-Y78 HydrophobicContact CB-CD1 3.7Å; F36-Y78 HydrophobicContact CB-CD2 4.19Å; F36-Y78 HydrophobicContact CB-CE1 3.7Å; F36-Y78 HydrophobicContact CB-CE2 4.2Å; F36-Y78 HydrophobicContact CB-CG 3.94Å; F36-Y78 HydrophobicContact CD1-CD1 4.24Å; F36-Y78 HydrophobicContact CD1-CD2 4.39Å; F36-Y78 AromaticContact CD1-CG 3.88Å; F36-Y78 HydrophobicContact CD1-CG 3.88Å; F36-Y78 HydrophobicContact CG-CD1 4.49Å; F36-Y78 HydrophobicContact CG-CG 4.36Å; F36-Y78 VanDerWaalsContact O-CE1 3.24Å; F36-Y78 WeakPolarHBondContact O-CE1 3.15Å; E37-Y78 PolarHBondContact OE2-OH 3.4Å; A40-Y78 HydrophobicContact CB-CE1 3.95Å; K74-Y78 WeakPolarHBondContact O-CB 3.4Å; K74-Y78 PolarHBondContact O-N 3.45Å; I75-Y78 PolarHBondContact O-N 2.98Å; Y78-C80 PolarHBondContact O-N 2.99Å; Y78-S81 PolarHBondContact O-N 2.85Å; Y78-S81 VanDerWaalsContact O-N 3.09Å; Y78-H82 HydrophobicContact CD1-CB 4.04Å; Y78-H82 AromaticContact CD2-CD2 3.66Å; Y78-H82 HydrophobicContact CE1-CB 3.57Å; Y78-H82 AromaticContact CE1-CD2 3.9Å; Y78-H82 AromaticContact CE1-CG 3.68Å; Y78-H82 AromaticContact CE2-CD2 3.29Å; Y78-H82 WeakPolarHBondContact CE2-CD2 3.5Å; Y78-H82 AromaticContact CE2-CG 3.81Å; Y78-H82 AromaticContact CE2-NE2 3.48Å; Y78-H82 WeakPolarHBondContact CE2-NE2 3.39Å; Y78-H82 AromaticContact CZ-CD2 3.44Å; Y78-H82 VanDerWaalsContact CZ-CD2 3.44Å; Y78-H82 AromaticContact CZ-CG 3.42Å; Y78-H82 VanDerWaalsContact CZ-CG 3.42Å; Y78-H82 AromaticContact CZ-ND1 3.77Å; Y78-H82 AromaticContact CZ-NE2 3.84Å; Y78-H82 PolarHBondContact O-CD2 2.97Å; Y78-H82 PolarHBondContact O-N 3.33Å; Y78-H82 PolarHBondContact OH-ND1 3.35Å
79L98.2Very high97.4Very high0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-63.3-22.5175.4-70.5167.9000112.8I39 A40 L53 L57 I75 L76 L77 S81 G83 F87 L88I39-L79 HydrophobicContact CG2-CD1 4.26Å; A40-L79 HydrophobicContact CB-CD2 3.99Å; L53-L79 HydrophobicContact CD2-CD1 4.23Å; L57-L79 HydrophobicContact CD1-CD1 3.9Å; I75-L79 HydrophobicContact CG2-CD1 3.89Å; I75-L79 HydrophobicContact CG2-CG 4.49Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 VanDerWaalsContact O-CG 3.24Å; I75-L79 WeakPolarHBondContact O-CG 3.38Å; I75-L79 PolarHBondContact O-N 3.36Å; L76-L79 PolarHBondContact O-N 2.94Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.29Å; L79-S81 PolarHBondContact O-N 2.67Å; L79-G83 VanDerWaalsContact O-CA 3.27Å; L79-G83 WeakPolarHBondContact O-CA 3.2Å; L79-G83 PolarHBondContact O-N 2.97Å; L79-F87 HydrophobicContact CB-CD1 4.1Å; L79-F87 HydrophobicContact CB-CE1 3.71Å; L79-F87 HydrophobicContact CD1-CD1 4.33Å; L79-F87 HydrophobicContact CD1-CE1 3.56Å; L79-F87 HydrophobicContact CD1-CE2 4.37Å; L79-F87 HydrophobicContact CD1-CZ 3.59Å; L79-F87 HydrophobicContact CG-CE1 4.19Å; L79-L88 WeakPolarHBondContact O-CD2 3.39Å
80C96.9Very high97.2Very high12 Ų1237.3 Ų37.38%0.08121%0.21CC..Hα-helixtrans-61.1-27171.6-64.70000113.9L76 L77 Y78 T130L76-C80 PolarHBondContact O-N 2.78Å; L76-C80 VanDerWaalsContact O-N 3.17Å; L76-C80 PolarHBondContact O-SG 3.46Å; L76-C80 VanDerWaalsContact O-SG 3.35Å; L77-C80 VanDerWaalsContact O-CB 3.24Å; L77-C80 WeakPolarHBondContact O-CB 3.46Å; L77-C80 PolarHBondContact O-N 2.78Å; L77-C80 VanDerWaalsContact O-N 3.09Å; Y78-C80 PolarHBondContact O-N 2.99Å; C80-T130 HydrophobicContact CB-CG2 3.71Å
81S96.1Very high97.2Very high92 Ų9235.8 Ų35.864%0.64320%0.201SC*.Hα-helixtrans-106.5-28.2177.9-55.30000113.7Y78 L79Y78-S81 PolarHBondContact O-N 2.85Å; Y78-S81 VanDerWaalsContact O-N 3.09Å; L79-S81 PolarHBondContact O-N 2.67Å
82H97.4Very high97Very high85 Ų8539.5 Ų39.539%0.39422%0.218SC..Hα-helixtrans-113.6-13.5-172.8-65.7-94.4000114.7A40 H44 Y78A40-H82 HydrophobicContact CB-CB 3.93Å; H44-H82 PolarHBondContact NE2-O 3.25Å; Y78-H82 HydrophobicContact CD1-CB 4.04Å; Y78-H82 AromaticContact CD2-CD2 3.66Å; Y78-H82 HydrophobicContact CE1-CB 3.57Å; Y78-H82 AromaticContact CE1-CD2 3.9Å; Y78-H82 AromaticContact CE1-CG 3.68Å; Y78-H82 AromaticContact CE2-CD2 3.29Å; Y78-H82 WeakPolarHBondContact CE2-CD2 3.5Å; Y78-H82 AromaticContact CE2-CG 3.81Å; Y78-H82 AromaticContact CE2-NE2 3.48Å; Y78-H82 WeakPolarHBondContact CE2-NE2 3.39Å; Y78-H82 AromaticContact CZ-CD2 3.44Å; Y78-H82 VanDerWaalsContact CZ-CD2 3.44Å; Y78-H82 AromaticContact CZ-CG 3.42Å; Y78-H82 VanDerWaalsContact CZ-CG 3.42Å; Y78-H82 AromaticContact CZ-ND1 3.77Å; Y78-H82 AromaticContact CZ-NE2 3.84Å; Y78-H82 PolarHBondContact O-CD2 2.97Å; Y78-H82 PolarHBondContact O-N 3.33Å; Y78-H82 PolarHBondContact OH-ND1 3.35Å
83G96.5Very high96.8Very high12 Ų1248 Ų4812%0.12425%0.25CC..SBendtrans-81.7168.2-177.400000114.1S43 L79S43-G83 WeakPolarHBondContact OG-CA 3.42Å; L79-G83 VanDerWaalsContact O-CA 3.27Å; L79-G83 WeakPolarHBondContact O-CA 3.2Å; L79-G83 PolarHBondContact O-N 2.97Å
84S97.4Very high96.6Very high10 Ų1050.7 Ų50.77%0.0726%0.264CS..  trans-72.3148177.979.30000112.7S43 H44 S50 S86 F87 L88S43-S84 WeakPolarHBondContact O-CB 3.31Å; S43-S84 PolarHBondContact O-OG 3.04Å; S43-S84 PolarHBondContact OG-N 3.2Å; H44-S84 VanDerWaalsContact CE1-CA 3.45Å; H44-S84 WeakPolarHBondContact CE1-CA 3.27Å; H44-S84 PolarHBondContact CE1-N 3.43Å; H44-S84 WeakPolarHBondContact ND1-CB 3.31Å; S50-S84 PolarHBondContact OG-OG 2.83Å; S50-S84 VanDerWaalsContact OG-OG 3.14Å; S84-S86 PolarHBondContact O-N 3.01Å; S84-S86 VanDerWaalsContact O-N 3.12Å; S84-F87 WeakPolarHBondContact O-CA 3.38Å; S84-F87 WeakPolarHBondContact O-CB 3.49Å; S84-F87 PolarHBondContact O-N 3.27Å; S84-F87 PolarHBondContact OG-N 3.45Å; S84-L88 PolarHBondContact O-N 3.47Å
85S94.6Very high96.4Very high103 Ų10347.2 Ų47.272%0.7225%0.254SS*.Hα-helixtrans-57.4-29.1175.3-43.50000112.5L89S85-L89 WeakPolarHBondContact O-CB 3.5Å; S85-L89 PolarHBondContact O-N 3.41Å; S85-L89 VanDerWaalsContact O-N 3.09Å
86S94.1Very high96.2Very high58 Ų5850 Ų5041%0.40628%0.277SS..Hα-helixtrans-63.4-48.6172.8-62.40000111.4S84 L89 I90S84-S86 PolarHBondContact O-N 3.01Å; S84-S86 VanDerWaalsContact O-N 3.12Å; S86-L89 PolarHBondContact O-N 3.22Å; S86-I90 WeakPolarHBondContact O-CG1 3.24Å; S86-I90 PolarHBondContact O-N 3.34Å
87F97.6Very high96.1Very high0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-60.2-44.9176.2-179.1-94.2000111.9L53 L54 L57 L76 L79 S84 L89 I90 L91L53-F87 HydrophobicContact CB-CD2 4.46Å; L53-F87 HydrophobicContact CB-CE2 4.2Å; L53-F87 HydrophobicContact CD2-CD2 4.09Å; L53-F87 HydrophobicContact CD2-CE2 3.91Å; L53-F87 HydrophobicContact CG-CD2 4.37Å; L53-F87 HydrophobicContact CG-CE2 3.85Å; L54-F87 HydrophobicContact CB-CD2 4.37Å; L54-F87 HydrophobicContact CB-CE2 3.82Å; L54-F87 HydrophobicContact CD1-CE2 4.06Å; L54-F87 HydrophobicContact CD1-CZ 4.01Å; L57-F87 HydrophobicContact CD1-CZ 4.16Å; L76-F87 HydrophobicContact CD2-CE1 4.19Å; L76-F87 HydrophobicContact CD2-CZ 3.75Å; L79-F87 HydrophobicContact CB-CD1 4.1Å; L79-F87 HydrophobicContact CB-CE1 3.71Å; L79-F87 HydrophobicContact CD1-CD1 4.33Å; L79-F87 HydrophobicContact CD1-CE1 3.56Å; L79-F87 HydrophobicContact CD1-CE2 4.37Å; L79-F87 HydrophobicContact CD1-CZ 3.59Å; L79-F87 HydrophobicContact CG-CE1 4.19Å; S84-F87 WeakPolarHBondContact O-CA 3.38Å; S84-F87 WeakPolarHBondContact O-CB 3.49Å; S84-F87 PolarHBondContact O-N 3.27Å; S84-F87 PolarHBondContact OG-N 3.45Å; F87-L89 VanDerWaalsContact C-N 3.33Å; F87-L89 PolarHBondContact O-N 3.22Å; F87-I90 WeakPolarHBondContact O-CG1 3.34Å; F87-I90 PolarHBondContact O-N 2.87Å; F87-L91 HydrophobicContact CE1-CB 4.45Å; F87-L91 HydrophobicContact CE1-CD2 4.06Å; F87-L91 WeakPolarHBondContact O-CB 3.16Å; F87-L91 PolarHBondContact O-N 3.31Å
88L96.3Very high96Very high36 Ų3650.4 Ų50.419%0.18828%0.277CS..Hα-helixtrans-63.5-37.8178.9-62-177.3000113L79 S84 L91 K92 L131L79-L88 WeakPolarHBondContact O-CD2 3.39Å; S84-L88 PolarHBondContact O-N 3.47Å; L88-L91 PolarHBondContact O-N 3.38Å; L88-K92 WeakPolarHBondContact O-CG 3.44Å; L88-K92 PolarHBondContact O-N 3.49Å; L88-L131 HydrophobicContact CD2-CD1 4.44Å
89L94.8Very high95.9Very high90 Ų9053.9 Ų53.947%0.47130%0.296SS..Hα-helixtrans-65-41.5177.3-165.5160.3000111.6S85 S86 F87 R93S85-L89 WeakPolarHBondContact O-CB 3.5Å; S85-L89 PolarHBondContact O-N 3.41Å; S85-L89 VanDerWaalsContact O-N 3.09Å; S86-L89 PolarHBondContact O-N 3.22Å; F87-L89 VanDerWaalsContact C-N 3.33Å; F87-L89 PolarHBondContact O-N 3.22Å; L89-R93 WeakPolarHBondContact O-CG 3.24Å; L89-R93 PolarHBondContact O-N 3.47Å
90I95Very high95.9Very high27 Ų2758.6 Ų58.614%0.13832%0.318CS..Hα-helixtrans-74.6-30.2175.258.8169.1000112.9S50 Q51 L54 S86 F87 R93 N94S50-I90 WeakPolarHBondContact O-CD1 3.4Å; Q51-I90 HydrophobicContact CB-CD1 4.47Å; Q51-I90 HydrophobicContact CG-CD1 4.08Å; L54-I90 HydrophobicContact CB-CD1 3.86Å; L54-I90 HydrophobicContact CB-CG1 4.48Å; L54-I90 HydrophobicContact CD2-CB 3.87Å; L54-I90 HydrophobicContact CD2-CD1 3.85Å; L54-I90 HydrophobicContact CD2-CG1 3.7Å; L54-I90 WeakPolarHBondContact CD2-O 3.26Å; L54-I90 HydrophobicContact CG-CD1 4.5Å; S86-I90 WeakPolarHBondContact O-CG1 3.24Å; S86-I90 PolarHBondContact O-N 3.34Å; F87-I90 WeakPolarHBondContact O-CG1 3.34Å; F87-I90 PolarHBondContact O-N 2.87Å; I90-R93 PolarHBondContact O-N 3.32Å; I90-N94 PolarHBondContact O-N 2.9Å; I90-N94 PolarHBondContact O-ND2 3.21Å
91L96.7Very high95.9Very high0 Ų058.2 Ų58.20%032%0.316CS..Hα-helixtrans-66.3-46172.9-179.362.2000111.3L54 L76 F87 L88 R93 N94 I98 L131L54-L91 HydrophobicContact CD1-CB 4.27Å; L54-L91 HydrophobicContact CD1-CD1 3.65Å; L76-L91 HydrophobicContact CD1-CD1 4.42Å; L76-L91 HydrophobicContact CD2-CD1 3.99Å; L76-L91 HydrophobicContact CD2-CD2 4.26Å; F87-L91 HydrophobicContact CE1-CB 4.45Å; F87-L91 HydrophobicContact CE1-CD2 4.06Å; F87-L91 WeakPolarHBondContact O-CB 3.16Å; F87-L91 PolarHBondContact O-N 3.31Å; L88-L91 PolarHBondContact O-N 3.38Å; L91-R93 PolarHBondContact O-N 3.49Å; L91-N94 CarbonylContact O-C 3.29Å; L91-N94 PolarHBondContact O-N 3.28Å; L91-I98 HydrophobicContact CD1-CD1 4.21Å; L91-I98 HydrophobicContact CG-CD1 4.48Å; L91-L131 HydrophobicContact CD2-CD1 4.08Å; L91-L131 HydrophobicContact CD2-CD2 3.99Å; L91-L131 HydrophobicContact CG-CD1 4.44Å; L91-L131 HydrophobicContact CG-CD2 3.77Å
92K95.1Very high96Very high94 Ų9454.7 Ų54.741%0.40929%0.292SS..Hα-helixtrans-57.2-33.7174.6-73.9-168.6-169.8-143.50112.7L88 N94 L131 F132L88-K92 WeakPolarHBondContact O-CG 3.44Å; L88-K92 PolarHBondContact O-N 3.49Å; K92-N94 VanDerWaalsContact C-N 3.28Å; K92-N94 PolarHBondContact O-N 3.03Å; K92-L131 HydrophobicContact CD-CD1 4.45Å; K92-L131 WeakPolarHBondContact CE-O 3.5Å; K92-L131 HydrophobicContact CG-CD1 3.73Å; K92-L131 HydrophobicContact CG-CD2 4.12Å; K92-L131 HydrophobicContact CG-CG 3.75Å; K92-L131 PolarHBondContact NZ-O 2.91Å; K92-F132 HydrophobicContact CB-CE1 4.15Å; K92-F132 HydrophobicContact CD-CE1 4.38Å; K92-F132 HydrophobicContact CG-CE1 3.94Å; K92-F132 HydrophobicContact CG-CZ 4.43Å
93R95.4Very high96Very high178 Ų17854.2 Ų54.267%0.67230%0.303SS*.THydrogen-bonded Turntrans-71.1-15.9174.9-74.8174.5172.7165.4-0.4114.5L89 I90 L91L89-R93 WeakPolarHBondContact O-CG 3.24Å; L89-R93 PolarHBondContact O-N 3.47Å; I90-R93 PolarHBondContact O-N 3.32Å; L91-R93 PolarHBondContact O-N 3.49Å
94N94.3Very high96Very high59 Ų5955.7 Ų55.732%0.31631%0.306SS..THydrogen-bonded Turntrans-114.530.6-177.9-72.1-81.4000112.1L54 L58 I90 L91 K92 A96 F97L54-N94 HydrophobicContact CD2-CB 4.5Å; L58-N94 HydrophobicContact CD1-CB 3.59Å; I90-N94 PolarHBondContact O-N 2.9Å; I90-N94 PolarHBondContact O-ND2 3.21Å; L91-N94 CarbonylContact O-C 3.29Å; L91-N94 PolarHBondContact O-N 3.28Å; K92-N94 VanDerWaalsContact C-N 3.28Å; K92-N94 PolarHBondContact O-N 3.03Å; N94-A96 PolarHBondContact O-N 3.22Å; N94-A96 VanDerWaalsContact O-N 3.08Å; N94-F97 HydrophobicContact CB-CD2 4.18Å; N94-F97 PolarHBondContact O-N 2.83Å
95S93.5Very high95.9Very high36 Ų3658.6 Ų58.625%0.25233%0.331SS..Hα-helixtrans-54.1-27.8-17859.40000114.7F97 I98 Q99S95-F97 VanDerWaalsContact C-N 3.27Å; S95-F97 PolarHBondContact O-N 2.83Å; S95-I98 WeakPolarHBondContact O-CA 3.43Å; S95-I98 WeakPolarHBondContact O-CB 3.45Å; S95-I98 PolarHBondContact O-N 2.67Å; S95-Q99 PolarHBondContact O-N 2.87Å
96A95.8Very high95.9Very high61 Ų6155.6 Ų55.650%0.50432%0.316SS..Hα-helixtrans-55.9-36.5179.100000113.4N94 I98 Q99 E100N94-A96 PolarHBondContact O-N 3.22Å; N94-A96 VanDerWaalsContact O-N 3.08Å; A96-I98 VanDerWaalsContact C-N 3.33Å; A96-I98 PolarHBondContact O-N 3.22Å; A96-Q99 PolarHBondContact O-N 2.77Å; A96-E100 PolarHBondContact O-N 2.76Å
97F96.4Very high95.9Very high41 Ų4157.7 Ų57.718%0.1833%0.328CS..Hα-helixtrans-69.6-30.3176.4-67.8-87.7000112.7L58 L61 H62 N94 S95 A101L58-F97 HydrophobicContact CB-CG 4.48Å; L58-F97 HydrophobicContact CD1-CD2 3.85Å; L58-F97 HydrophobicContact CD1-CE2 4.05Å; L58-F97 HydrophobicContact CD1-CG 4.41Å; L58-F97 HydrophobicContact CD2-CB 3.82Å; L58-F97 HydrophobicContact CD2-CD2 4.26Å; L58-F97 HydrophobicContact CD2-CG 4.06Å; L58-F97 HydrophobicContact CG-CD2 4.46Å; L61-F97 HydrophobicContact CD2-CB 4.26Å; H62-F97 HydrophobicContact CB-CD1 4.47Å; H62-F97 HydrophobicContact CB-CE1 4.37Å; N94-F97 HydrophobicContact CB-CD2 4.18Å; N94-F97 PolarHBondContact O-N 2.83Å; S95-F97 VanDerWaalsContact C-N 3.27Å; S95-F97 PolarHBondContact O-N 2.83Å; F97-A101 WeakPolarHBondContact O-CB 3.18Å; F97-A101 PolarHBondContact O-N 3Å
98I96.3Very high95.7Very high5 Ų561.7 Ų61.73%0.02635%0.354CS..Hα-helixtrans-71.9-39.1174.4-51.8172.2000109.2L91 S95 A96 A101 A102 A124 L127 L131L91-I98 HydrophobicContact CD1-CD1 4.21Å; L91-I98 HydrophobicContact CG-CD1 4.48Å; S95-I98 WeakPolarHBondContact O-CA 3.43Å; S95-I98 WeakPolarHBondContact O-CB 3.45Å; S95-I98 PolarHBondContact O-N 2.67Å; A96-I98 VanDerWaalsContact C-N 3.33Å; A96-I98 PolarHBondContact O-N 3.22Å; I98-A101 PolarHBondContact O-N 2.79Å; I98-A102 WeakPolarHBondContact O-CB 3.41Å; I98-A102 PolarHBondContact O-N 2.87Å; I98-A124 WeakPolarHBondContact CG2-O 3.18Å; I98-L127 HydrophobicContact CD1-CD2 4.09Å; I98-L127 HydrophobicContact CD1-CG 4.19Å; I98-L127 HydrophobicContact CG1-CD2 4.04Å; I98-L127 HydrophobicContact CG2-CD2 4.04Å; I98-L127 HydrophobicContact CG2-CG 4.15Å; I98-L131 HydrophobicContact CD1-CD2 3.56Å
99Q96.3Very high95.6Very high133 Ų13363.1 Ų63.162%0.62136%0.362SS*.Hα-helixtrans-66.9-40.3174.6-67.2174.7-18.200112.3S95 A96 A102 A103S95-Q99 PolarHBondContact O-N 2.87Å; A96-Q99 PolarHBondContact O-N 2.77Å; Q99-A102 PolarHBondContact O-N 2.75Å; Q99-A103 PolarHBondContact O-N 3.27Å; Q99-A103 VanDerWaalsContact O-N 3.1Å
100E97.3Very high95.6Very high98 Ų9864.9 Ų64.946%0.45838%0.378SS..Hα-helixtrans-58.7-48.1171.4-177.2-178.9-145.600111H62 A96 A102 A103 F104H62-E100 IonicContact CE1-OE1 3.51Å; H62-E100 PolarHBondContact CE1-OE1 3.3Å; H62-E100 VanDerWaalsContact CE1-OE1 3.22Å; H62-E100 IonicContact CE1-OE2 3.99Å; H62-E100 IonicContact CG-OE2 3.22Å; H62-E100 IonicContact ND1-OE1 2.87Å; H62-E100 PolarHBondContact ND1-OE1 2.86Å; H62-E100 IonicContact ND1-OE2 3.22Å; H62-E100 PolarHBondContact ND1-OE2 3.13Å; A96-E100 PolarHBondContact O-N 2.76Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 2.96Å; E100-A103 CarbonylContact O-C 3.53Å; E100-A103 PolarHBondContact O-N 3.25Å; E100-A103 VanDerWaalsContact O-N 3.1Å; E100-F104 PolarHBondContact O-N 2.85Å
101A97.5Very high95.6Very high5 Ų570.9 Ų70.94%0.04141%0.41CS..Hα-helixtrans-64.8-34.5176.700000113.1L61 L73 F97 I98 A103 F104 A124L61-A101 HydrophobicContact CD1-CB 3.94Å; L61-A101 HydrophobicContact CD2-CB 4.33Å; L61-A101 HydrophobicContact CG-CB 4.29Å; L73-A101 HydrophobicContact CD1-CB 4.26Å; L73-A101 HydrophobicContact CD2-CB 4.17Å; F97-A101 WeakPolarHBondContact O-CB 3.18Å; F97-A101 PolarHBondContact O-N 3Å; I98-A101 PolarHBondContact O-N 2.79Å; A101-A103 PolarHBondContact O-N 3.05Å; A101-F104 WeakPolarHBondContact O-CB 3.4Å; A101-F104 PolarHBondContact O-N 3Å; A101-F104 VanDerWaalsContact O-N 3.16Å; A101-A124 HydrophobicContact CB-CB 3.84Å
102A97.3Very high95.4Very high18 Ų1876.7 Ų76.715%0.14944%0.437CS..Hα-helixtrans-68.7-19.6173.900000113.3I98 Q99 E100 R121 A124 Q125I98-A102 WeakPolarHBondContact O-CB 3.41Å; I98-A102 PolarHBondContact O-N 2.87Å; Q99-A102 PolarHBondContact O-N 2.75Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 2.96Å; A102-R121 VanDerWaalsContact O-CD 3.25Å; A102-R121 WeakPolarHBondContact O-CD 3.48Å; A102-R121 VanDerWaalsContact O-CG 3.26Å; A102-R121 WeakPolarHBondContact O-CG 3.27Å; A102-A124 HydrophobicContact CB-CB 3.89Å; A102-Q125 HydrophobicContact CB-CG 4.35Å
103A97.3Very high95.4Very high74 Ų7473.4 Ų73.461%0.61243%0.43SS*.THydrogen-bonded Turntrans-96.93.4172.300000113.7Q99 E100 A101 A105Q99-A103 PolarHBondContact O-N 3.27Å; Q99-A103 VanDerWaalsContact O-N 3.1Å; E100-A103 CarbonylContact O-C 3.53Å; E100-A103 PolarHBondContact O-N 3.25Å; E100-A103 VanDerWaalsContact O-N 3.1Å; A101-A103 PolarHBondContact O-N 3.05Å; A103-A105 PolarHBondContact O-N 2.97Å
104F97.6Very high95.5Very high43 Ų4368.9 Ų68.919%0.18942%0.419CS..  trans-59.9125.3-171.7-176.9-115.6000113.3K69 E100 A101 Y117 V120 R121K69-F104 HydrophobicContact CD-CD1 4.46Å; K69-F104 HydrophobicContact CD-CD2 3.96Å; K69-F104 HydrophobicContact CD-CE1 4.34Å; K69-F104 HydrophobicContact CD-CE2 3.86Å; K69-F104 HydrophobicContact CD-CG 4.27Å; K69-F104 HydrophobicContact CD-CZ 4.05Å; E100-F104 PolarHBondContact O-N 2.85Å; A101-F104 WeakPolarHBondContact O-CB 3.4Å; A101-F104 PolarHBondContact O-N 3Å; A101-F104 VanDerWaalsContact O-N 3.16Å; F104-Y117 AromaticContact CD1-CD1 3.57Å; F104-Y117 HydrophobicContact CD1-CD1 3.57Å; F104-Y117 HydrophobicContact CD1-CE1 4.35Å; F104-Y117 HydrophobicContact CD1-CG 4.4Å; F104-Y117 AromaticContact CE1-CD1 3.29Å; F104-Y117 HydrophobicContact CE1-CD1 3.29Å; F104-Y117 AromaticContact CE1-CE1 3.7Å; F104-Y117 HydrophobicContact CE1-CE1 3.7Å; F104-Y117 HydrophobicContact CE1-CG 4.25Å; F104-Y117 HydrophobicContact CE2-CE1 4.45Å; F104-Y117 HydrophobicContact CG-CD1 4.32Å; F104-Y117 AromaticContact CZ-CD1 3.82Å; F104-Y117 HydrophobicContact CZ-CD1 3.82Å; F104-Y117 AromaticContact CZ-CE1 3.76Å; F104-Y117 HydrophobicContact CZ-CE1 3.76Å; F104-V120 HydrophobicContact CB-CG1 3.86Å; F104-V120 HydrophobicContact CD1-CB 3.74Å; F104-V120 HydrophobicContact CD1-CG1 3.54Å; F104-V120 HydrophobicContact CD1-CG2 4.05Å; F104-V120 HydrophobicContact CE1-CB 4.39Å; F104-V120 HydrophobicContact CE1-CG1 4.36Å; F104-V120 HydrophobicContact CE1-CG2 4.21Å; F104-V120 HydrophobicContact CG-CG1 3.94Å; F104-R121 HydrophobicContact CB-CG 4.4Å; F104-R121 VanDerWaalsContact O-CD 3.3Å; F104-R121 WeakPolarHBondContact O-CD 3.38Å; F104-R121 WeakPolarHBondContact O-CG 3.45Å; F104-R121 PolarHBondContact O-NH1 3.48Å
105A95.4Very high95.6Very high72 Ų7267.6 Ų67.660%0.59542%0.415SS*.  trans-151.9164.5-177.800000110.8A103A103-A105 PolarHBondContact O-N 2.97Å
106G93.3Very high95.8Very high39 Ų3967.5 Ų67.540%0.40241%0.412SS..  trans-176.7-172.3-179.900000110.7Y117G106-Y117 VanDerWaalsContact N-CE1 3.33Å
107P95.5Very high95.9Very high102 Ų10266.5 Ų66.566%0.66240%0.395SS*.SBendtrans-65.2147172.929.5-34.7000110.8Y117P107-Y117 WeakPolarHBondContact O-CE2 3.26Å; P107-Y117 PolarHBondContact O-OH 3.1Å
108P93.8Very high96Very high84 Ų8468 Ų6855%0.54540%0.402SS..PPolyproline II helixtrans-63.5141.4178.526.8-34.5000111.4
109D94Very high96Very high66 Ų6673.5 Ų73.535%0.35343%0.426SS..BIsolated β-bridgetrans-68.9138.3172.1179.4-104.6000111L111 H112 G113D109-L111 PolarHBondContact O-N 2.94Å; D109-L111 VanDerWaalsContact O-N 3.13Å; D109-L111 PolarHBondContact OD1-N 3.37Å; D109-H112 HydrophobicContact CB-CB 4.28Å; D109-H112 WeakPolarHBondContact OD1-CB 3.39Å; D109-H112 IonicContact OD1-CG 3.22Å; D109-H112 PolarHBondContact OD1-N 3.34Å; D109-H112 IonicContact OD1-ND1 3.76Å; D109-H112 PolarHBondContact OD1-ND1 3.49Å; D109-G113 PolarHBondContact N-O 3.46Å; D109-G113 VanDerWaalsContact O-CA 3.26Å; D109-G113 WeakPolarHBondContact O-CA 3.32Å; D109-G113 PolarHBondContact O-N 3.13Å
110P94.3Very high96.1Very high127 Ų12767.1 Ų67.183%0.82540%0.397SS*.THydrogen-bonded Turntrans-61-20.9-178.3-26.636.1000115.9
111L94.4Very high96.2Very high153 Ų15366.3 Ų66.380%0.80139%0.389SS*.THydrogen-bonded Turntrans-110.5-36.5-179.2-61.5176.5000112.4D109D109-L111 PolarHBondContact O-N 2.94Å; D109-L111 VanDerWaalsContact O-N 3.13Å; D109-L111 PolarHBondContact OD1-N 3.37Å
112H93.1Very high96.2Very high122 Ų12269 Ų6957%0.56541%0.411SS*.THydrogen-bonded Turntrans-114.20.9-170.7-51.393.4000114D109 N114 S115D109-H112 HydrophobicContact CB-CB 4.28Å; D109-H112 WeakPolarHBondContact OD1-CB 3.39Å; D109-H112 IonicContact OD1-CG 3.22Å; D109-H112 PolarHBondContact OD1-N 3.34Å; D109-H112 IonicContact OD1-ND1 3.76Å; D109-H112 PolarHBondContact OD1-ND1 3.49Å; H112-N114 PolarHBondContact O-N 2.98Å; H112-S115 VanDerWaalsContact O-CB 3.32Å; H112-S115 WeakPolarHBondContact O-CB 3.31Å; H112-S115 PolarHBondContact O-N 3.33Å; H112-S115 VanDerWaalsContact O-N 3.15Å; H112-S115 PolarHBondContact O-OG 2.96Å
113G95.8Very high96.3Very high26 Ų2668.7 Ų68.727%0.26841%0.409SS..BIsolated β-bridgetrans55.1-129.8178.300000112.9D109D109-G113 PolarHBondContact N-O 3.46Å; D109-G113 VanDerWaalsContact O-CA 3.26Å; D109-G113 WeakPolarHBondContact O-CA 3.32Å; D109-G113 PolarHBondContact O-N 3.13Å
114N96.5Very high96.4Very high82 Ų8265.2 Ų65.244%0.43938%0.38SS..THydrogen-bonded Turntrans-882.1-179.8-71.2-28.3000114.2H112 L116 Y117 Q118H112-N114 PolarHBondContact O-N 2.98Å; N114-L116 PolarHBondContact O-N 3.14Å; N114-Y117 PolarHBondContact O-N 3.03Å; N114-Y117 VanDerWaalsContact O-N 3.15Å; N114-Q118 PolarHBondContact O-N 3.03Å
115S96.7Very high96.4Very high33 Ų3368.5 Ų68.523%0.23140%0.396CS..Hα-helixtrans-65-33.3-167.367.70000114.3H112 Q118 K119H112-S115 VanDerWaalsContact O-CB 3.32Å; H112-S115 WeakPolarHBondContact O-CB 3.31Å; H112-S115 PolarHBondContact O-N 3.33Å; H112-S115 VanDerWaalsContact O-N 3.15Å; H112-S115 PolarHBondContact O-OG 2.96Å; S115-Q118 PolarHBondContact O-N 2.84Å; S115-K119 WeakPolarHBondContact O-CB 3.4Å; S115-K119 WeakPolarHBondContact O-CD 3.49Å; S115-K119 VanDerWaalsContact O-CG 3.23Å; S115-K119 WeakPolarHBondContact O-CG 3.39Å; S115-K119 PolarHBondContact O-N 3.2Å
116L96.9Very high96.5Very high34 Ų3469 Ų6918%0.17839%0.389CS..Hα-helixtrans-66.5-43.8174.9-176.462.1000111.4H67 L70 N114 K119 V120H67-L116 WeakPolarHBondContact NE2-CD2 3.35Å; L70-L116 HydrophobicContact CD2-CD1 4.48Å; N114-L116 PolarHBondContact O-N 3.14Å; L116-K119 PolarHBondContact O-N 2.8Å; L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 3.36Å
117Y97.6Very high96.7Very high39 Ų3967.1 Ų67.115%0.15337%0.37CS..Hα-helixtrans-64.6-41.6175.9-55.5-86.4000111.5F104 G106 P107 N114 V120 R121F104-Y117 AromaticContact CD1-CD1 3.57Å; F104-Y117 HydrophobicContact CD1-CD1 3.57Å; F104-Y117 HydrophobicContact CD1-CE1 4.35Å; F104-Y117 HydrophobicContact CD1-CG 4.4Å; F104-Y117 AromaticContact CE1-CD1 3.29Å; F104-Y117 HydrophobicContact CE1-CD1 3.29Å; F104-Y117 AromaticContact CE1-CE1 3.7Å; F104-Y117 HydrophobicContact CE1-CE1 3.7Å; F104-Y117 HydrophobicContact CE1-CG 4.25Å; F104-Y117 HydrophobicContact CE2-CE1 4.45Å; F104-Y117 HydrophobicContact CG-CD1 4.32Å; F104-Y117 AromaticContact CZ-CD1 3.82Å; F104-Y117 HydrophobicContact CZ-CD1 3.82Å; F104-Y117 AromaticContact CZ-CE1 3.76Å; F104-Y117 HydrophobicContact CZ-CE1 3.76Å; G106-Y117 VanDerWaalsContact N-CE1 3.33Å; P107-Y117 WeakPolarHBondContact O-CE2 3.26Å; P107-Y117 PolarHBondContact O-OH 3.1Å; N114-Y117 PolarHBondContact O-N 3.03Å; N114-Y117 VanDerWaalsContact O-N 3.15Å; Y117-V120 PolarHBondContact O-N 2.67Å; Y117-R121 WeakPolarHBondContact O-CG 3.29Å; Y117-R121 PolarHBondContact O-N 2.79Å
118Q98.3Very high96.7Very high72 Ų7263 Ų6334%0.33635%0.345SS..Hα-helixtrans-57.9-47.5172.5-74.1168.8-26.600111.5N114 S115 V120 R121 A122 D310N114-Q118 PolarHBondContact O-N 3.03Å; S115-Q118 PolarHBondContact O-N 2.84Å; Q118-V120 PolarHBondContact O-N 2.97Å; Q118-R121 PolarHBondContact O-N 3.01Å; Q118-A122 WeakPolarHBondContact O-CB 3.49Å; Q118-A122 PolarHBondContact O-N 3.36Å; Q118-D310 PolarHBondContact NE2-OD2 2.89Å
119K98.1Very high96.8Very high121 Ų12162.1 Ų62.153%0.52634%0.341SS..Hα-helixtrans-60-42.9177.7-74.3164.8-178.1171.40112.6L70 S115 L116 A123L70-K119 HydrophobicContact CD1-CB 4.26Å; L70-K119 HydrophobicContact CD2-CB 4Å; L70-K119 HydrophobicContact CD2-CD 4.48Å; S115-K119 WeakPolarHBondContact O-CB 3.4Å; S115-K119 WeakPolarHBondContact O-CD 3.49Å; S115-K119 VanDerWaalsContact O-CG 3.23Å; S115-K119 WeakPolarHBondContact O-CG 3.39Å; S115-K119 PolarHBondContact O-N 3.2Å; L116-K119 PolarHBondContact O-N 2.8Å; K119-A123 WeakPolarHBondContact O-CB 3.48Å; K119-A123 PolarHBondContact O-N 3.37Å
120V98.5Very high96.9Very high0 Ų062 Ų620%034%0.343CS..Hα-helixtrans-64.1-48.9176171.80000111G66 K69 L70 L73 F104 L116 Y117 Q118 A122 A123 A124G66-V120 WeakPolarHBondContact O-CG2 3.49Å; K69-V120 HydrophobicContact CB-CG1 4.15Å; K69-V120 HydrophobicContact CB-CG2 4.22Å; K69-V120 HydrophobicContact CD-CG1 4.48Å; L70-V120 HydrophobicContact CB-CG2 4.02Å; L73-V120 HydrophobicContact CD1-CG1 3.81Å; L73-V120 VanDerWaalsContact CD1-O 3.31Å; L73-V120 WeakPolarHBondContact CD1-O 3.32Å; F104-V120 HydrophobicContact CB-CG1 3.86Å; F104-V120 HydrophobicContact CD1-CB 3.74Å; F104-V120 HydrophobicContact CD1-CG1 3.54Å; F104-V120 HydrophobicContact CD1-CG2 4.05Å; F104-V120 HydrophobicContact CE1-CB 4.39Å; F104-V120 HydrophobicContact CE1-CG1 4.36Å; F104-V120 HydrophobicContact CE1-CG2 4.21Å; F104-V120 HydrophobicContact CG-CG1 3.94Å; L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 3.36Å; Y117-V120 PolarHBondContact O-N 2.67Å; Q118-V120 PolarHBondContact O-N 2.97Å; V120-A122 PolarHBondContact O-N 3.31Å; V120-A123 PolarHBondContact O-N 2.92Å; V120-A124 WeakPolarHBondContact O-CB 3.25Å; V120-A124 PolarHBondContact O-N 3.06Å
121R98.4Very high96.8Very high80 Ų8056.2 Ų56.230%0.30231%0.305SS..Hα-helixtrans-61-43.6178.4-68.3-167-57.9-90.54.3111.9A102 F104 Y117 Q118 A124 Q125A102-R121 VanDerWaalsContact O-CD 3.25Å; A102-R121 WeakPolarHBondContact O-CD 3.48Å; A102-R121 VanDerWaalsContact O-CG 3.26Å; A102-R121 WeakPolarHBondContact O-CG 3.27Å; F104-R121 HydrophobicContact CB-CG 4.4Å; F104-R121 VanDerWaalsContact O-CD 3.3Å; F104-R121 WeakPolarHBondContact O-CD 3.38Å; F104-R121 WeakPolarHBondContact O-CG 3.45Å; F104-R121 PolarHBondContact O-NH1 3.48Å; Y117-R121 WeakPolarHBondContact O-CG 3.29Å; Y117-R121 PolarHBondContact O-N 2.79Å; Q118-R121 PolarHBondContact O-N 3.01Å; R121-A124 PolarHBondContact O-N 3.22Å; R121-Q125 WeakPolarHBondContact O-CG 3.34Å; R121-Q125 PolarHBondContact O-N 2.82Å
122A98.5Very high96.7Very high61 Ų6153.4 Ų53.450%0.50429%0.287SS..Hα-helixtrans-60.6-47.717700000111.9Q118 V120 A124 Q125 D126Q118-A122 WeakPolarHBondContact O-CB 3.49Å; Q118-A122 PolarHBondContact O-N 3.36Å; V120-A122 PolarHBondContact O-N 3.31Å; A122-A124 VanDerWaalsContact C-N 3.28Å; A122-A124 PolarHBondContact O-N 3.23Å; A122-Q125 PolarHBondContact O-N 3.22Å; A122-D126 WeakPolarHBondContact O-CB 3.3Å; A122-D126 PolarHBondContact O-N 3.43Å
123A98.4Very high96.3Very high12 Ų1250.6 Ų50.610%0.09928%0.28CS..Hα-helixtrans-64.1-31177.400000113.1L70 L73 K119 V120 L127L70-A123 HydrophobicContact CD1-CB 3.8Å; L73-A123 HydrophobicContact CB-CB 3.92Å; L73-A123 HydrophobicContact CD1-CB 4.06Å; K119-A123 WeakPolarHBondContact O-CB 3.48Å; K119-A123 PolarHBondContact O-N 3.37Å; V120-A123 PolarHBondContact O-N 2.92Å; A123-L127 VanDerWaalsContact O-CB 3.27Å; A123-L127 WeakPolarHBondContact O-CB 3.47Å; A123-L127 PolarHBondContact O-N 3.1Å
124A98.4Very high94.2Very high1 Ų157.1 Ų57.11%0.00831%0.309CS..Hα-helixtrans-74.1-35.6174.600000112.9L73 I98 A101 A102 V120 R121 A122 G128L73-A124 HydrophobicContact CD1-CB 3.95Å; L73-A124 HydrophobicContact CD2-CB 3.98Å; I98-A124 WeakPolarHBondContact CG2-O 3.18Å; A101-A124 HydrophobicContact CB-CB 3.84Å; A102-A124 HydrophobicContact CB-CB 3.89Å; V120-A124 WeakPolarHBondContact O-CB 3.25Å; V120-A124 PolarHBondContact O-N 3.06Å; R121-A124 PolarHBondContact O-N 3.22Å; A122-A124 VanDerWaalsContact C-N 3.28Å; A122-A124 PolarHBondContact O-N 3.23Å; A124-G128 PolarHBondContact O-N 2.85Å
125Q97.9Very high91.6Very high113 Ų11358.7 Ų58.753%0.52832%0.322SS..Hα-helixtrans-69.8-37.2173.1-67.6-69.52.300112.2A102 R121 A122 G128 S129A102-Q125 HydrophobicContact CB-CG 4.35Å; R121-Q125 WeakPolarHBondContact O-CG 3.34Å; R121-Q125 PolarHBondContact O-N 2.82Å; A122-Q125 PolarHBondContact O-N 3.22Å; Q125-G128 PolarHBondContact O-N 3.25Å; Q125-S129 WeakPolarHBondContact O-CB 3.33Å; Q125-S129 PolarHBondContact O-N 3.25Å; Q125-S129 PolarHBondContact O-OG 3.08Å
126D97.6Very high89Confident82 Ų8263.5 Ų63.544%0.43935%0.349SS..Hα-helixtrans-66-45.9174.9-172.626.1000111.5L77 A122 S129 T130L77-D126 WeakPolarHBondContact CD2-OD2 3.26Å; A122-D126 WeakPolarHBondContact O-CB 3.3Å; A122-D126 PolarHBondContact O-N 3.43Å; D126-S129 PolarHBondContact O-N 3.29Å; D126-T130 WeakPolarHBondContact O-CB 3.38Å; D126-T130 PolarHBondContact O-N 3.42Å; D126-T130 PolarHBondContact O-OG1 3.3Å
127L97.9Very high86.2Confident0 Ų068.4 Ų68.40%038%0.375CS..Hα-helixtrans-58.3-47170.1172.960.4000112L73 L76 L77 I98 A123 T130 L131L73-L127 HydrophobicContact CD2-CD2 3.7Å; L76-L127 HydrophobicContact CB-CD1 3.96Å; L76-L127 HydrophobicContact CB-CD2 3.66Å; L76-L127 HydrophobicContact CB-CG 4.49Å; L76-L127 HydrophobicContact CD1-CD2 3.93Å; L76-L127 HydrophobicContact CG-CD2 4.46Å; L77-L127 HydrophobicContact CB-CD1 4.46Å; I98-L127 HydrophobicContact CD1-CD2 4.09Å; I98-L127 HydrophobicContact CD1-CG 4.19Å; I98-L127 HydrophobicContact CG1-CD2 4.04Å; I98-L127 HydrophobicContact CG2-CD2 4.04Å; I98-L127 HydrophobicContact CG2-CG 4.15Å; A123-L127 VanDerWaalsContact O-CB 3.27Å; A123-L127 WeakPolarHBondContact O-CB 3.47Å; A123-L127 PolarHBondContact O-N 3.1Å; L127-T130 PolarHBondContact O-N 3.44Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 PolarHBondContact O-N 3.23Å
128G95.9Very high83Confident14 Ų1472.2 Ų72.214%0.14441%0.405CS..Hα-helixtrans-60.4-46.5177.400000112.3A124 Q125 L131 F132A124-G128 PolarHBondContact O-N 2.85Å; Q125-G128 PolarHBondContact O-N 3.25Å; G128-L131 PolarHBondContact O-N 2.93Å; G128-F132 WeakPolarHBondContact O-CB 3.48Å; G128-F132 VanDerWaalsContact O-CD2 3.24Å; G128-F132 WeakPolarHBondContact O-CD2 3.23Å; G128-F132 PolarHBondContact O-N 3.4Å
129S95.2Very high79.9Confident66 Ų6676.6 Ų76.646%0.46243%0.43SS..Hα-helixtrans-61.4-47.8178.1-57.90000111.3Q125 D126 L131 S133Q125-S129 WeakPolarHBondContact O-CB 3.33Å; Q125-S129 PolarHBondContact O-N 3.25Å; Q125-S129 PolarHBondContact O-OG 3.08Å; D126-S129 PolarHBondContact O-N 3.29Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.43Å; S129-S133 VanDerWaalsContact O-CB 3.3Å; S129-S133 WeakPolarHBondContact O-CB 3.4Å; S129-S133 PolarHBondContact O-N 3.04Å; S129-S133 PolarHBondContact O-OG 3.49Å
130T95.6Very high76.8Confident64 Ų6474.4 Ų74.439%0.39343%0.434SS..Hα-helixtrans-64-37.4178-58.80000112.2L77 C80 D126 L127L77-T130 HydrophobicContact CD1-CG2 4.08Å; L77-T130 WeakPolarHBondContact CD1-OG1 3.44Å; C80-T130 HydrophobicContact CB-CG2 3.71Å; D126-T130 WeakPolarHBondContact O-CB 3.38Å; D126-T130 PolarHBondContact O-N 3.42Å; D126-T130 PolarHBondContact O-OG1 3.3Å; L127-T130 PolarHBondContact O-N 3.44Å
131L94.1Very high73.7Confident5 Ų580.5 Ų80.53%0.02647%0.474CS..Hα-helixtrans-81.3-26.5-176.7-170.467.7000113.5L88 L91 K92 I98 L127 G128 S129L88-L131 HydrophobicContact CD2-CD1 4.44Å; L91-L131 HydrophobicContact CD2-CD1 4.08Å; L91-L131 HydrophobicContact CD2-CD2 3.99Å; L91-L131 HydrophobicContact CG-CD1 4.44Å; L91-L131 HydrophobicContact CG-CD2 3.77Å; K92-L131 HydrophobicContact CD-CD1 4.45Å; K92-L131 WeakPolarHBondContact CE-O 3.5Å; K92-L131 HydrophobicContact CG-CD1 3.73Å; K92-L131 HydrophobicContact CG-CD2 4.12Å; K92-L131 HydrophobicContact CG-CG 3.75Å; K92-L131 PolarHBondContact NZ-O 2.91Å; I98-L131 HydrophobicContact CD1-CD2 3.56Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 PolarHBondContact O-N 3.23Å; G128-L131 PolarHBondContact O-N 2.93Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.43Å
132F91.4Very high70.5Confident95 Ų9581.6 Ų81.642%0.41749%0.493SS..Hα-helixtrans-117.12.4-174.3-61-65.8000115.5K92 G128 D134K92-F132 HydrophobicContact CB-CE1 4.15Å; K92-F132 HydrophobicContact CD-CE1 4.38Å; K92-F132 HydrophobicContact CG-CE1 3.94Å; K92-F132 HydrophobicContact CG-CZ 4.43Å; G128-F132 WeakPolarHBondContact O-CB 3.48Å; G128-F132 VanDerWaalsContact O-CD2 3.24Å; G128-F132 WeakPolarHBondContact O-CD2 3.23Å; G128-F132 PolarHBondContact O-N 3.4Å; F132-D134 PolarHBondContact O-N 3.39Å
133S84.8Confident67.8Low62 Ų6287.6 Ų87.643%0.43451%0.511SS..  trans-72.2123.2166.9-62.70000110.6S129 T135S129-S133 VanDerWaalsContact O-CB 3.3Å; S129-S133 WeakPolarHBondContact O-CB 3.4Å; S129-S133 PolarHBondContact O-N 3.04Å; S129-S133 PolarHBondContact O-OG 3.49Å; S133-T135 WeakPolarHBondContact CB-OG1 3.45Å; S133-T135 PolarHBondContact O-N 3.23Å
134D51.7Low64.7Low164 Ų16493.2 Ų93.288%0.87755%0.547SS*.  trans-77.937.7173-75.5-38.7000112.5F132 V136F132-D134 PolarHBondContact O-N 3.39Å; D134-V136 PolarHBondContact O-N 3.34Å
135T42Very low61.7Low114 Ų114101.5 Ų101.570%0.69959%0.59SS**  trans-78.5118.6168.81.70000109S133 L137S133-T135 WeakPolarHBondContact CB-OG1 3.45Å; S133-T135 PolarHBondContact O-N 3.23Å; T135-L137 PolarHBondContact O-N 2.91Å
136V41.4Very low58.5Low134 Ų13499 Ų9981%0.81259%0.594SS**  trans-56.4110.4173.5177.10000109.1D134 P138D134-V136 PolarHBondContact O-N 3.34Å; V136-P138 VanDerWaalsContact O-CD 3.31Å; V136-P138 WeakPolarHBondContact O-CD 3.33Å
137L37.4Very low55.5Low138 Ų138102.8 Ų102.872%0.72361%0.614SS**PPolyproline II helixtrans-56.1121.3169.1-76.7169.5000108.4T135 L139T135-L137 PolarHBondContact O-N 2.91Å; L137-L139 PolarHBondContact O-N 2.87Å; L137-L139 VanDerWaalsContact O-N 3.15Å
138P31Very low52.7Low119 Ų119108.4 Ų108.477%0.77365%0.651SS**PPolyproline II helixtrans-58.4122.1169.9-22.134.1000108.5V136 A140V136-P138 VanDerWaalsContact O-CD 3.31Å; V136-P138 WeakPolarHBondContact O-CD 3.33Å; P138-A140 PolarHBondContact O-N 3.35Å
139L34Very low50.2Low164 Ų164114 Ų11486%0.85968%0.684SS**PPolyproline II helixtrans-57.6116.6179.4179.364.7000109L137L137-L139 PolarHBondContact O-N 2.87Å; L137-L139 VanDerWaalsContact O-N 3.15Å
140A33.4Very low47.4Very low75 Ų75115.8 Ų115.862%0.6270%0.703SS**PPolyproline II helixtrans-55.9134.5175.900000109.4P138 S142P138-A140 PolarHBondContact O-N 3.35Å; A140-S142 PolarHBondContact O-N 3.21Å; A140-S142 VanDerWaalsContact O-N 3.08Å
141P32.5Very low44.6Very low128 Ų128119.9 Ų119.983%0.83173%0.728SS**PPolyproline II helixtrans-60.2117.7-172.623-33.2000110.5Q143P141-Q143 PolarHBondContact O-N 3.29Å
142S31.6Very low41.9Very low102 Ų102123.1 Ų123.171%0.71376%0.763SS**PPolyproline II helixtrans-61.1123.5-174.352.90000111.9A140 P144A140-S142 PolarHBondContact O-N 3.21Å; A140-S142 VanDerWaalsContact O-N 3.08Å; S142-P144 VanDerWaalsContact O-CD 3.29Å; S142-P144 WeakPolarHBondContact O-CD 3.38Å
143Q42.3Very low39.2Very low188 Ų188127.5 Ų127.588%0.87979%0.787SS**PPolyproline II helixtrans-64.9124.3166.5-70.8-175.2-18.700110.3P141P141-Q143 PolarHBondContact O-N 3.29Å
144P33.3Very low36.7Very low130 Ų130127.8 Ų127.884%0.84480%0.8SS**PPolyproline II helixtrans-84.4130.8169.4-7.626.9000110.5S142S142-P144 VanDerWaalsContact O-CD 3.29Å; S142-P144 WeakPolarHBondContact O-CD 3.38Å
145L34.1Very low36Very low175 Ų175124.9 Ų124.992%0.91679%0.792SS**  trans-127.9113.2177.8-177.371.6000111.1
146G30.3Very low35.8Very low59 Ų59128 Ų12861%0.60880%0.799SS**  trans82.4115.9173.200000114.6
147N34.9Very low35.3Very low163 Ų163125.8 Ų125.887%0.87280%0.795SS**  89.7130.879-764.5000111.6
148P39.5Very low35.3Very low118 Ų118128.8 Ų128.877%0.76680%0.797SS**  -136.817668.834.6-15.9000114.8
149P44Very low36.1Very low130 Ų130129 Ų12984%0.84480%0.797SS**  trans-80.5148.1-175.932.1-36.3000114
150A36.2Very low36.3Very low105 Ų105127.6 Ų127.687%0.86879%0.786SS**  trans-121.4125.1174.100000111.6
151T37.6Very low36.2Very low149 Ų149128.6 Ų128.691%0.91479%0.789SS**  trans-92.9128.6178.7-52.60000110.2
152G35.8Very low36.4Very low74 Ų74127.6 Ų127.676%0.76378%0.781SS**  trans178123.8174.700000117.2
153M35.7Very low37.2Very low187 Ų187131 Ų13192%0.92179%0.79SS**  trans-56.2154.9-179.4-103.565.878.200118.7
154G33Very low37.2Very low67 Ų67130.3 Ų130.369%0.69179%0.787SS**  trans94.1120.5145.100000116.2
155S35.3Very low37.6Very low103 Ų103127.1 Ų127.172%0.7278%0.777SS**  cis71124.944.588.60000113.4
156Q37.8Very low37.9Very low179 Ų179128.7 Ų128.784%0.83678%0.777SS**  cis-117.9-152.612.1-65.3-68.2-2.900110.6
157A31.1Very low38.3Very low88 Ų88128.7 Ų128.773%0.72778%0.777SS**  cis-159-167.17.400000112.7
158R37.1Very low38.3Very low202 Ų202131.7 Ų131.776%0.76278%0.778SS**  trans-143.3169.6168.1-72.5-177.5168.4174.9-3.1109.3
159P48.9Very low38.7Very low122 Ų122130.3 Ų130.379%0.79277%0.771SS**  -12114983.6-0.523000112.7
160H37.9Very low38.3Very low135 Ų135131.3 Ų131.363%0.62576%0.762SS**  62.7143.768.1-72.2-93000113.9
161S32.3Very low38Very low97 Ų97132.4 Ų132.468%0.67875%0.749SS**  cis-168.816920.2-129.60000110.3
162T36.6Very low37.6Very low106 Ų106133.9 Ų133.965%0.6575%0.745SS**  cis-173.1130.2-25.1210000110
163L46.9Very low37.4Very low174 Ų174134 Ų13491%0.91175%0.747SS**  trans-156.4105.8163.5-99.3167.9000107.4
164Q43.7Very low37.2Very low174 Ų174137.1 Ų137.181%0.81375%0.748SS**  cis86.1103.729.5-159.374.135.400113.6
165G40.7Very low37.8Very low62 Ų62141.3 Ų141.364%0.63976%0.761SS**  trans-176.785.8178.100000115.4
166F40.8Very low37.9Very low208 Ų208139.5 Ų139.591%0.91276%0.758SS**  trans59107.9161.1-64-81.3000121.5
167G37.8Very low38.3Very low60 Ų60135.4 Ų135.462%0.61975%0.749SS**  trans-80-165.815100000112
168Y36.4Very low39.1Very low225 Ų225135.7 Ų135.788%0.88275%0.752SS**  -162.8136.953.7-104.6-103.6000109.2
169S46.4Very low39.7Very low89 Ų89127.9 Ų127.962%0.62273%0.734SS**  87.514391.7-174.40000114.2
170K36.4Very low40Very low152 Ų152128.2 Ų128.266%0.66173%0.725SS**  cis-154.1132.8-0.1-122.5170.6174.7-77.20106.6
171E29.9Very low41.2Very low128 Ų128124.9 Ų124.960%0.59872%0.721SS**  85.6122.890.5177.6-175.6-102.400115.6
172H29.4Very low42.9Very low179 Ų179127 Ų12783%0.82972%0.718SS**  -174.4125.9124.2-9781000108
173G31.3Very low44.8Very low77 Ų77126.9 Ų126.979%0.79471%0.713SS**  trans-97.1165.7-152.400000118
174R32.6Very low45.9Very low252 Ų252121.4 Ų121.495%0.95169%0.689SS**  trans-154.7148.1144.5-112.8-179-177.1-157.2-0.5110.6
175T43.7Very low47.4Very low155 Ų155117.7 Ų117.795%0.95168%0.678SS**  trans-68.3127.9175.4-51.10000110.5
176G38.8Very low49.1Very low65 Ų65118.9 Ų118.967%0.6767%0.669SS**  trans-164.7126173.500000111.1
177S45.8Very low50.9Low93 Ų93115.6 Ų115.665%0.6566%0.657SS**  trans-75.4142.6173.2-178.50000110.1G179 E180S177-G179 PolarHBondContact O-N 2.88Å; S177-E180 PolarHBondContact O-N 3.41Å
178A48.2Very low52.6Low95 Ų95119.8 Ų119.879%0.78566%0.658SS**Hα-helixtrans-60.5-17.8-176.400000114.3
179G48.4Very low54.2Low37 Ų37111.9 Ų111.938%0.38164%0.639SS.*Hα-helixtrans-72.7-31.4174.200000114.7S177 A181 F182 L183S177-G179 PolarHBondContact O-N 2.88Å; G179-A181 PolarHBondContact O-N 3.15Å; G179-F182 PolarHBondContact O-N 2.99Å; G179-F182 VanDerWaalsContact O-N 3.15Å; G179-L183 PolarHBondContact O-N 3.39Å; G179-L183 VanDerWaalsContact O-N 3.13Å
180E56.2Low55.5Low130 Ų130110.5 Ų110.561%0.60763%0.633SS**Hα-helixtrans-64.3-39.2-175.9-75.6-67.7123.900112.2S177 F182 L183 S184S177-E180 PolarHBondContact O-N 3.41Å; E180-F182 VanDerWaalsContact C-N 3.25Å; E180-F182 PolarHBondContact O-N 2.74Å; E180-L183 PolarHBondContact O-N 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.42Å; E180-S184 PolarHBondContact O-N 3.05Å; E180-S184 PolarHBondContact O-OG 3.15Å
181A63.6Low57.3Low64 Ų64109.2 Ų109.253%0.52963%0.63SS.*Hα-helixtrans-63.7-31.6177.300000112.4G179 S184 T185G179-A181 PolarHBondContact O-N 3.15Å; A181-S184 PolarHBondContact O-OG 3.31Å; A181-T185 WeakPolarHBondContact O-CB 3.27Å; A181-T185 PolarHBondContact O-N 3.39Å; A181-T185 PolarHBondContact O-OG1 3.12Å
182F67.6Low59.4Low141 Ų141107.9 Ų107.962%0.61863%0.63SS**Hα-helixtrans-76.6-47.2178.6-170.5-111.7000111.5G179 E180 T185 I186G179-F182 PolarHBondContact O-N 2.99Å; G179-F182 VanDerWaalsContact O-N 3.15Å; E180-F182 VanDerWaalsContact C-N 3.25Å; E180-F182 PolarHBondContact O-N 2.74Å; F182-T185 WeakPolarHBondContact O-CB 3.12Å; F182-T185 PolarHBondContact O-N 3.46Å; F182-I186 HydrophobicContact CD1-CD1 3.83Å; F182-I186 HydrophobicContact CE1-CD1 3.53Å; F182-I186 HydrophobicContact CZ-CD1 3.98Å; F182-I186 PolarHBondContact O-N 3.17Å
183L77.1Confident61.4Low104 Ų104103.6 Ų103.655%0.54562%0.616SS.*Hα-helixtrans-65-42.7179.1-64.9178.8000112.4G179 E180 T185 I186 Q187G179-L183 PolarHBondContact O-N 3.39Å; G179-L183 VanDerWaalsContact O-N 3.13Å; E180-L183 PolarHBondContact O-N 3.3Å; L183-T185 VanDerWaalsContact C-N 3.28Å; L183-T185 PolarHBondContact O-N 3.36Å; L183-I186 PolarHBondContact O-N 3.4Å; L183-Q187 WeakPolarHBondContact O-CB 3.02Å; L183-Q187 PolarHBondContact O-N 2.91Å
184S69.4Low63.2Low60 Ų60102.9 Ų102.942%0.4260%0.602SS.*Hα-helixtrans-65-30175.154.80000113.3E180 A181 K188E180-S184 WeakPolarHBondContact O-CB 3.42Å; E180-S184 PolarHBondContact O-N 3.05Å; E180-S184 PolarHBondContact O-OG 3.15Å; A181-S184 PolarHBondContact O-OG 3.31Å; S184-K188 PolarHBondContact O-N 3.17Å; S184-K188 VanDerWaalsContact O-N 3.07Å
185T73.9Confident64.6Low95 Ų9594.3 Ų94.358%0.58358%0.581SS**Hα-helixtrans-69.1-43.4172-61.10000111.5A181 F182 L183 K188 A189A181-T185 WeakPolarHBondContact O-CB 3.27Å; A181-T185 PolarHBondContact O-N 3.39Å; A181-T185 PolarHBondContact O-OG1 3.12Å; F182-T185 WeakPolarHBondContact O-CB 3.12Å; F182-T185 PolarHBondContact O-N 3.46Å; L183-T185 VanDerWaalsContact C-N 3.28Å; L183-T185 PolarHBondContact O-N 3.36Å; T185-K188 PolarHBondContact O-N 3.09Å; T185-A189 PolarHBondContact O-N 3.09Å
186I77.1Confident65.5Low88 Ų8890.7 Ų90.745%0.45157%0.567SS.*Hα-helixtrans-63-43.4175-69167.8000111F182 L183 K188 A189 A190F182-I186 HydrophobicContact CD1-CD1 3.83Å; F182-I186 HydrophobicContact CE1-CD1 3.53Å; F182-I186 HydrophobicContact CZ-CD1 3.98Å; F182-I186 PolarHBondContact O-N 3.17Å; L183-I186 PolarHBondContact O-N 3.4Å; I186-K188 PolarHBondContact O-N 3.02Å; I186-A189 PolarHBondContact O-N 3.5Å; I186-A190 PolarHBondContact O-N 2.94Å
187Q78.7Confident66.3Low139 Ų13994.7 Ų94.765%0.6557%0.57SS**Hα-helixtrans-61.5-43.5177.9-174.1173.4-9.500111.7L183 A189 A190 E191L183-Q187 WeakPolarHBondContact O-CB 3.02Å; L183-Q187 PolarHBondContact O-N 2.91Å; Q187-A189 PolarHBondContact O-N 3.25Å; Q187-A190 PolarHBondContact O-N 3.43Å; Q187-E191 WeakPolarHBondContact O-CB 3.22Å; Q187-E191 PolarHBondContact O-N 3.34Å
188K73.6Confident66.6Low148 Ų148100.1 Ų100.164%0.64358%0.576SS**Hα-helixtrans-61.5-40.4173-93-169.8169.7-175.60113.2S184 T185 I186 A190 E191 V192S184-K188 PolarHBondContact O-N 3.17Å; S184-K188 VanDerWaalsContact O-N 3.07Å; T185-K188 PolarHBondContact O-N 3.09Å; I186-K188 PolarHBondContact O-N 3.02Å; K188-A190 VanDerWaalsContact C-N 3.35Å; K188-E191 PolarHBondContact O-N 3.47Å; K188-V192 WeakPolarHBondContact O-CG2 3.24Å; K188-V192 PolarHBondContact O-N 3.3Å
189A70.5Confident66.4Low59 Ų59101.6 Ų101.649%0.48858%0.578SS.*Hα-helixtrans-62.6-42.8176.800000111.6T185 I186 Q187 V192 V193T185-A189 PolarHBondContact O-N 3.09Å; I186-A189 PolarHBondContact O-N 3.5Å; Q187-A189 PolarHBondContact O-N 3.25Å; A189-V192 PolarHBondContact O-N 3.31Å; A189-V193 WeakPolarHBondContact O-CG2 3.28Å; A189-V193 PolarHBondContact O-N 3.41Å; A189-V193 VanDerWaalsContact O-N 3.16Å
190A73.7Confident66.3Low59 Ų59102.7 Ų102.749%0.48859%0.589SS.*Hα-helixtrans-63.7-39174.800000112.6I186 Q187 K188 V193 A194I186-A190 PolarHBondContact O-N 2.94Å; Q187-A190 PolarHBondContact O-N 3.43Å; K188-A190 VanDerWaalsContact C-N 3.35Å; A190-V193 PolarHBondContact O-N 3.47Å; A190-A194 WeakPolarHBondContact O-CB 3.42Å; A190-A194 PolarHBondContact O-N 3.09Å
191E73.9Confident65.7Low126 Ų126102.7 Ų102.759%0.58960%0.601SS**Hα-helixtrans-68.2-35.3178.8-168.9168.7-131.200112.8Q187 K188 A194 S195Q187-E191 WeakPolarHBondContact O-CB 3.22Å; Q187-E191 PolarHBondContact O-N 3.34Å; K188-E191 PolarHBondContact O-N 3.47Å; E191-A194 PolarHBondContact O-N 3.02Å; E191-S195 WeakPolarHBondContact O-CB 3.48Å; E191-S195 PolarHBondContact O-N 3.45Å; E191-S195 PolarHBondContact O-OG 3.35Å
192V73.6Confident64.3Low99 Ų99109 Ų10960%0.662%0.619SS**Hα-helixtrans-65.9-42.2171.5171.20000111.4K188 A189 S195 A196K188-V192 WeakPolarHBondContact O-CG2 3.24Å; K188-V192 PolarHBondContact O-N 3.3Å; A189-V192 PolarHBondContact O-N 3.31Å; V192-S195 WeakPolarHBondContact CA-OG 3.29Å; V192-S195 PolarHBondContact O-N 3.1Å; V192-S195 PolarHBondContact O-OG 2.84Å; V192-S195 VanDerWaalsContact O-OG 3.08Å; V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.29Å
193V71.5Confident62.5Low89 Ų89107.7 Ų107.754%0.53963%0.627SS.*Hα-helixtrans-67-41.5175.6175.10000111.4A189 A190 S195 A196 M197A189-V193 WeakPolarHBondContact O-CG2 3.28Å; A189-V193 PolarHBondContact O-N 3.41Å; A189-V193 VanDerWaalsContact O-N 3.16Å; A190-V193 PolarHBondContact O-N 3.47Å; V193-S195 VanDerWaalsContact C-N 3.34Å; V193-S195 PolarHBondContact O-N 3.37Å; V193-A196 PolarHBondContact O-N 3.03Å; V193-M197 VanDerWaalsContact O-CG 3.26Å; V193-M197 WeakPolarHBondContact O-CG 3.24Å; V193-M197 PolarHBondContact O-N 2.99Å
194A69.2Low60.8Low62 Ų62108.7 Ų108.751%0.51264%0.64SS.*Hα-helixtrans-67.3-31.4178.800000113.4A190 E191A190-A194 WeakPolarHBondContact O-CB 3.42Å; A190-A194 PolarHBondContact O-N 3.09Å; E191-A194 PolarHBondContact O-N 3.02Å
195S61.1Low58.9Low73 Ų73111 Ų11151%0.5166%0.656SS.*Hα-helixtrans-78.4-33.1174.648.40000112.9E191 V192 V193 M197E191-S195 WeakPolarHBondContact O-CB 3.48Å; E191-S195 PolarHBondContact O-N 3.45Å; E191-S195 PolarHBondContact O-OG 3.35Å; V192-S195 WeakPolarHBondContact CA-OG 3.29Å; V192-S195 PolarHBondContact O-N 3.1Å; V192-S195 PolarHBondContact O-OG 2.84Å; V192-S195 VanDerWaalsContact O-OG 3.08Å; V193-S195 VanDerWaalsContact C-N 3.34Å; V193-S195 PolarHBondContact O-N 3.37Å; S195-M197 PolarHBondContact O-N 2.81Å
196A64Low56.8Low78 Ų78111.6 Ų111.665%0.64566%0.66SS**Hα-helixtrans-68-19.7172.900000114.2V192 V193V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.29Å; V193-A196 PolarHBondContact O-N 3.03Å
197M54.8Low54.6Low150 Ų150115.8 Ų115.874%0.73968%0.677SS**THydrogen-bonded Turntrans-99.912.9-175.3-68.6-69.6167.800114.5V193 S195V193-M197 VanDerWaalsContact O-CG 3.26Å; V193-M197 WeakPolarHBondContact O-CG 3.24Å; V193-M197 PolarHBondContact O-N 2.99Å; S195-M197 PolarHBondContact O-N 2.81Å
198R51.5Low52.3Low206 Ų206120.2 Ų120.278%0.77769%0.688SS**PPolyproline II helixtrans-87.9126.9175.2-78.5-174.4169.8155.10.6111.8G200R198-G200 PolarHBondContact O-N 3.16Å
199P44.4Very low50.3Low126 Ų126121.3 Ų121.382%0.81870%0.7SS**PPolyproline II helixtrans-59.5131.7165.5-21.333.2000110.6
200G46.7Very low48.5Very low60 Ų60126.3 Ų126.362%0.61972%0.718SS**PPolyproline II helixtrans-70.4151.3170.500000111.3R198 E202R198-G200 PolarHBondContact O-N 3.16Å; G200-E202 PolarHBondContact O-N 2.87Å
201P42.9Very low47.4Very low131 Ų131128.9 Ų128.985%0.85173%0.73SS**PPolyproline II helixtrans-67129177.928.1-33.9000110.8
202E35.2Very low45.4Very low196 Ų196135 Ų13592%0.91675%0.748SS**PPolyproline II helixtrans-66.7145.7177-63.5-171.5112.500111.8G200G200-E202 PolarHBondContact O-N 2.87Å
203S29.8Very low43.5Very low113 Ų113133.6 Ų133.679%0.7975%0.752SS**  trans-128.4134.715353.90000108.6
204P41.4Very low42.1Very low125 Ų125137.1 Ų137.181%0.81277%0.768SS**  trans-88143-164.132.8-35.4000112.8
205S28.6Very low41Very low108 Ų108140.6 Ų140.676%0.75578%0.783SS**  179.5161.1115.362.60000113.8
206T31.3Very low40.1Very low108 Ų108147.2 Ų147.266%0.66380%0.799SS**  trans7887.8148.9-43.50000119.7
207Q30.6Very low39.2Very low176 Ų176152 Ų15282%0.82281%0.807SS**  trans70.9102.8134.6-58.5178.937.700121.1
208R29.8Very low39Very low232 Ų232149.2 Ų149.288%0.87580%0.801SS**  37.9113.5112.6179.2-163.3-90.6-175.6-7.1117.4
209L30.7Very low38.3Very low172 Ų172144.7 Ų144.790%0.90181%0.807SS**  -158.2158.2121.9-107.6160.8000111.2
210L34.1Very low38.5Very low163 Ų163145 Ų14585%0.85381%0.807SS**  trans-113.1175.1-174.7-99.7171.4000110.1
211P50.7Low38.1Very low113 Ų113150.3 Ų150.373%0.73482%0.818SS**  -109.9166.8-127.341.7-35.5000114.4
212R30.4Very low37.9Very low256 Ų256149.9 Ų149.997%0.96682%0.815SS**  trans-164.1145.4153.1-141175.1-178.8-171.1-1.2112.7
213G34.3Very low37.9Very low68 Ų68146.3 Ų146.370%0.70181%0.812SS**  trans134.869.8159.600000115.9T215G213-T215 PolarHBondContact O-N 3.48Å
214D43.4Very low38.2Very low164 Ų164145.5 Ų145.588%0.87781%0.812SS**  trans-67.1118.5169-56.5-84.2000111.2
215T45.9Very low37.5Very low134 Ų134144.7 Ų144.782%0.82281%0.809SS**  trans-153.6125.7158.6-65.80000109.2G213G213-T215 PolarHBondContact O-N 3.48Å
216Y41.5Very low37.9Very low213 Ų213148.9 Ų148.984%0.83582%0.817SS**  trans-82132.6178.4-177.6-90.8000110.5
217Q45.9Very low37.9Very low177 Ų177147 Ų14783%0.82782%0.819SS**  trans-130.5133.4170.2-119.7-161.53.900110.9
218P50.4Low38.5Very low92 Ų92144.3 Ų144.360%0.59782%0.817SS**  trans-78143.8178.231.6-34.6000112.1
219A37.2Very low39Very low111 Ų111138.9 Ų138.992%0.91781%0.811SS**  trans-67.6132.4178.900000111.9
220T48.3Very low39Very low134 Ų134136.4 Ų136.482%0.82280%0.803SS**  trans-116.1137.5175.1-56.80000109.6
221M36.9Very low38.9Very low170 Ų170136.9 Ų136.984%0.83781%0.806SS**PPolyproline II helixtrans-68.7139.1-176.8-70.7-71.3-74.500112.1S223M221-S223 PolarHBondContact O-N 2.95Å
222P39.8Very low37.8Very low123 Ų123134.6 Ų134.680%0.79980%0.803SS**PPolyproline II helixtrans-74.2125.4176.129.6-33.3000111.3
223S35.6Very low37.9Very low121 Ų121130 Ų13085%0.84680%0.798SS**PPolyproline II helixtrans-89.1137.2168.1-1720000110.3M221M221-S223 PolarHBondContact O-N 2.95Å
224A34.7Very low38.2Very low96 Ų96132.4 Ų132.479%0.79380%0.801SS**PPolyproline II helixtrans-75.7134.9-176.700000112.2
225S28.2Very low37.5Very low107 Ų107132 Ų13275%0.74880%0.798SS**PPolyproline II helixtrans-92.2128-178.757.30000112.9
226H36.4Very low37.3Very low197 Ų197131.6 Ų131.691%0.91280%0.798SS**  trans-132.5150.6151.2-81.4-72000110
227G31.2Very low36.7Very low69 Ų69125.2 Ų125.271%0.71180%0.797SS**  trans-85.8175.4-156.100000117.3
228P42.5Very low35.9Very low119 Ų119121.9 Ų121.977%0.77380%0.799SS**  trans-87.3176.7-175.639.8-38.9000112.6
229P41.2Very low34.9Very low118 Ų118125.3 Ų125.377%0.76681%0.811SS**  -138.1130.794.534.3-20.5000116.1
230T29.5Very low35.2Very low119 Ų119126 Ų12673%0.7381%0.806SS**  trans52.1132.4130.5-27.20000122.8
231L31.9Very low34.2Very low173 Ų173123 Ų12391%0.90680%0.802SS**  trans101.2116.5138.2-133.1158.9000118.7
232G29.2Very low34.5Very low66 Ų66120.9 Ų120.968%0.6880%0.801SS**  trans131.18615500000117.7
233N30.9Very low34.1Very low160 Ų160126.8 Ų126.886%0.85681%0.807SS**  trans-97.3164.7153.7-100.3-13.7000108.5
234P41.3Very low33.9Very low118 Ų118125.9 Ų125.977%0.76681%0.807SS**  cis-135.8-17113.538.9-18.7000116.2
235L29.5Very low34Very low154 Ų154127.5 Ų127.581%0.80681%0.807SS**  trans-57.9175159.1-89.876.5000113.3
236P40.5Very low34.2Very low126 Ų126133.5 Ų133.582%0.81881%0.813SS**  cis-127.7-172.19.532.6-10.5000114.7
237G28.8Very low34Very low79 Ų79131.8 Ų131.881%0.81481%0.805SS**  trans-116.7171.8-174.200000116.5
238A29.3Very low34.6Very low107 Ų107137.6 Ų137.688%0.88481%0.814SS**  trans-157.2159.8169.800000112
239I29.8Very low34.4Very low165 Ų165138.3 Ų138.385%0.84682%0.818SS**  trans-109.2147.8172.6-82.2173.9000106.5
240P42.8Very low34.3Very low126 Ų126136.5 Ų136.582%0.81882%0.821SS**  cis-138.2-171.241.626.20.5000117.2
241G28.9Very low34.9Very low70 Ų70140.3 Ų140.372%0.72283%0.83SS**  trans-82.2-150179.100000115.6
242P42.6Very low35.1Very low126 Ų126136.5 Ų136.582%0.81882%0.824SS**  cis-141.6-176.325.944.2-25.9000117.8
243R31.2Very low36Very low246 Ų246137.4 Ų137.493%0.92883%0.833SS**  trans59.6112.3158.6-83.8-171.5170.9-170.5-1.2120.9
244A31.4Very low36.3Very low103 Ų103133 Ų13385%0.85183%0.826SS**  trans-153.2156.9134.300000109.8
245V37Very low36.1Very low130 Ų130130.7 Ų130.779%0.78882%0.823SS**  trans-134.1124-176174.30000111.8
246R31.7Very low36.3Very low233 Ų233135 Ų13588%0.87983%0.829SS**  trans-165.2165.8139.1-116.5178.3173.9-108.1-5.7112.8
247H33.5Very low36.4Very low161 Ų161136.9 Ų136.975%0.74583%0.832SS**  trans-83157.2-160.5-46.5-90.2000115.1
248Q42.7Very low36.9Very low191 Ų191142.3 Ų142.389%0.89384%0.836SS**  trans-117.8151.8155.5-71.4-174.3-1100110
249P39.8Very low37.4Very low134 Ų134144.4 Ų144.487%0.8783%0.832SS**  trans-101.9145.8174.436.6-29.7000112.6
250G37.7Very low37.5Very low79 Ų79143.5 Ų143.581%0.81483%0.829SS**  trans142.4117163.400000116.3
251Q41.7Very low37.2Very low199 Ų199142.3 Ų142.393%0.9382%0.824SS**  trans-50.9165.3168.9-73.9179.4-92.800115.6
252A37.7Very low37.5Very low94 Ų94144.6 Ų144.678%0.77783%0.829SS**  cis-168.4148.2-20.300000109.4
253G47.4Very low37.6Very low84 Ų84143.9 Ų143.987%0.86682%0.824SS**  trans-171.7155.5174.400000111.3
254G37Very low37.5Very low68 Ų68137.8 Ų137.870%0.70182%0.819SS**  trans128.3127.9-170.600000110
255G36.5Very low37.9Very low70 Ų70138.5 Ų138.572%0.72282%0.817SS**  cis88.610515.300000109.8
256W35.3Very low37.8Very low244 Ų244141.2 Ų141.292%0.92482%0.822SS**  trans-141.771-175.2-73.2109.2000110.4
257D42.4Very low37.7Very low165 Ų165136.9 Ų136.988%0.88282%0.816SS**  trans-114.8110.3154.5-78.2-66.7000106.6
258E38.8Very low37.9Very low194 Ų194133.8 Ų133.891%0.90781%0.813SS**  trans-160.6159.2160.1-120.7169.2-172.100110.4
259L39.8Very low37.6Very low151 Ų151129.6 Ų129.679%0.79180%0.804SS**  trans-112.7170.1-159.7-70.690.3000114.9
260D32.3Very low37.4Very low146 Ų146131.3 Ų131.378%0.78180%0.801SS**  trans95130.4144.2-74.6-18.7000123.6
261S36.2Very low37.1Very low101 Ų101134.3 Ų134.371%0.70680%0.798SS**  trans80.491.6143.1-63.50000122.5
262S35.3Very low36.7Very low118 Ų118130.2 Ų130.283%0.82579%0.791SS**  57.6168.2113.5-57.50000121.3
263P45Very low36.6Very low110 Ų110132.9 Ų132.971%0.71479%0.793SS**  cis-134.9176.44.843.5-27.3000117.3
264S29.6Very low36.1Very low118 Ų118136.5 Ų136.583%0.82579%0.791SS**  trans67.6140.8161.972.90000117.6
265S38.3Very low35.8Very low118 Ų118138 Ų13883%0.82579%0.791SS**  cis-152.3172.349.540.30000114.3
266Q36Very low35.7Very low188 Ų188145.4 Ų145.488%0.87980%0.797SS**  trans-86.4174-175.7-59.5150.1-32.400110.9
267N29.1Very low35.6Very low141 Ų141139.7 Ų139.775%0.75479%0.788SS**  cis-164.1164.725.9-173.625.4000112.3
268S38Very low35.2Very low97 Ų97137.5 Ų137.568%0.67879%0.786SS**  trans65.4153157.167.30000118.9
269S35.2Very low35.1Very low102 Ų102135.4 Ų135.471%0.71378%0.781SS**  cis177.9149-16.452.90000108.4
270Q37.1Very low34.7Very low171 Ų171134.2 Ų134.280%0.79979%0.786SS**  cis-165.6-166.7-11.8-130.7175.8-19.700109.7
271N31.4Very low34.9Very low141 Ų141130.8 Ų130.875%0.75478%0.784SS**  trans-7.6145.9160.7-64.423.3000119
272S32.6Very low34.7Very low113 Ų113131.9 Ų131.979%0.7979%0.792SS**  -16314457460000116.5
273D36.7Very low34.8Very low151 Ų151135.3 Ų135.381%0.80780%0.795SS**  trans-72.8154.3153.2-68.3-76.9000111.4
274L35Very low34.1Very low159 Ų159136.1 Ų136.183%0.83280%0.803SS**  175.7111.1122.5-95.4168.9000115.1
275S32.3Very low34.1Very low99 Ų99133.5 Ų133.569%0.69280%0.795SS**  trans79.7157.7131.583.50000123.6
276R34.7Very low34Very low227 Ų227133 Ų13386%0.85779%0.792SS**  trans77.196.1157.6-72.3-176.2170.3179.2-2.5121.1
277V33.1Very low33.8Very low123 Ų123130.6 Ų130.675%0.74578%0.784SS**  26.4124.1106.2-1790000117.1
278S32.7Very low34.2Very low119 Ų119129 Ų12983%0.83279%0.785SS**  trans-157116.6139.9-75.60000110.3
279D37.6Very low34Very low150 Ų150132.6 Ų132.680%0.80279%0.79SS**  trans-73.1141.2163.1-65.4-73.4000109.9
280S30.1Very low34.5Very low127 Ų127134 Ų13489%0.88880%0.8SS**  trans-164.799.2161.3-82.60000110.7
281G36.8Very low34.4Very low73 Ų73129.3 Ų129.375%0.75380%0.798SS**  trans-96.8140.2159.600000110.1
282S32.6Very low34.3Very low125 Ų125127.5 Ų127.587%0.87480%0.802SS**  trans-165.9154.8158.3-88.70000112.5
283H36.8Very low34.4Very low189 Ų189127.5 Ų127.588%0.87580%0.802SS**  trans-82.4140.4-167.6-51.5-102.9000114.1
284S31.3Very low34.4Very low127 Ų127131.7 Ų131.789%0.88881%0.807SS**  trans-175.2154137.1-133.40000109.5
285G29.6Very low34.4Very low63 Ų63132.8 Ų132.865%0.64981%0.808SS**  cis144.2106.4-5.800000111.5
286S36.5Very low35Very low109 Ų109133.6 Ų133.676%0.76281%0.811SS**  trans64.8167.9-176.1-117.20000114.4
287D31.7Very low34.9Very low136 Ų136125.3 Ų125.373%0.72780%0.796SS**  cis-130.9160.812-103-44.3000115.2
288S37Very low35Very low108 Ų108124.8 Ų124.876%0.75579%0.789SS**  trans-92.6135.8173.4-64.50000111.7
289H32.8Very low35.1Very low172 Ų172125.9 Ų125.980%0.79679%0.785SS**  trans-124.8123.7168.8-64.7-13.4000110.3
290S45.6Very low35.2Very low132 Ų132122.1 Ų122.192%0.92377%0.774SS**  trans-153.9125175.4-74.70000109.4
291G35.6Very low35.6Very low73 Ų73122 Ų12275%0.75376%0.76SS**  trans160.9138.8175.600000113.7
292A29.1Very low35.8Very low102 Ų102126.9 Ų126.984%0.84376%0.755SS**  trans59114.9-178.500000115.2
293S35.1Very low36.1Very low113 Ų113125.6 Ų125.679%0.7974%0.742SS**  cis7291.825.3-159.90000116
294R36.9Very low36.6Very low239 Ų239120.7 Ų120.790%0.90272%0.719SS**  -175.799.2126.6-100.9171.8-175.2-129.4-0.9113.5
295E33.7Very low37.3Very low183 Ų183119.2 Ų119.286%0.85571%0.705SS**  trans59178.1139.3-114-167.7109.500120.2
296P45.3Very low37.8Very low116 Ų116121.6 Ų121.675%0.75371%0.707SS**  -113.4136.1-120.637.1-22.5000114.6
297G33.1Very low38.6Very low53 Ų53119.5 Ų119.555%0.54670%0.696SS.*  trans-159.9132.6172.900000111.3
298D35.2Very low39.8Very low111 Ų111114.8 Ų114.859%0.59467%0.671SS**  trans43.1106.1177.5-148.1-29.2000117.9A300D298-A300 WeakPolarHBondContact OD1-CB 3.45Å; D298-A300 PolarHBondContact OD1-N 2.94Å
299L35.2Very low40.8Very low143 Ų143113.1 Ų113.175%0.74966%0.659SS**SBendtrans-85.6-18.1176.6-167.363.2000112.7V303L299-V303 WeakPolarHBondContact O-CG2 3.32Å
300A38.9Very low42.8Very low71 Ų71110.1 Ų110.159%0.58765%0.649SS**Hα-helixtrans-71.9-48.4-173.400000112D298 R302 V303 E304D298-A300 WeakPolarHBondContact OD1-CB 3.45Å; D298-A300 PolarHBondContact OD1-N 2.94Å; A300-R302 VanDerWaalsContact C-N 3.29Å; A300-R302 PolarHBondContact O-N 2.89Å; A300-V303 PolarHBondContact O-N 3.44Å; A300-E304 PolarHBondContact O-N 3.34Å
301E39.3Very low44.7Very low123 Ų123104.8 Ų104.858%0.57561%0.611SS**Hα-helixtrans-64.4-32.3-175.3-168168.4-128.600112.5V305E301-V305 WeakPolarHBondContact O-CG2 3.3Å; E301-V305 PolarHBondContact O-N 2.96Å
302R40.4Very low47.3Very low176 Ų176108 Ų10866%0.66461%0.607SS**Hα-helixtrans-77.2-31.2-178.9-60.7-170.8-168.7-1715113.8A300 E304 V305 V306A300-R302 VanDerWaalsContact C-N 3.29Å; A300-R302 PolarHBondContact O-N 2.89Å; R302-E304 VanDerWaalsContact C-N 3.32Å; R302-V305 PolarHBondContact O-N 3.02Å; R302-V306 WeakPolarHBondContact O-CG2 3.34Å; R302-V306 PolarHBondContact O-N 3.22Å
303V39.2Very low50.4Low99 Ų99109.7 Ų109.760%0.660%0.597SS**Hα-helixtrans-67.3-37.5175.8172.80000110.5L299 A300L299-V303 WeakPolarHBondContact O-CG2 3.32Å; A300-V303 PolarHBondContact O-N 3.44Å
304E47.4Very low53.2Low85 Ų85105.5 Ų105.540%0.39757%0.565SS.*Hα-helixtrans-68.3-40.7176.7-162.4168.2-146.300112A300 R302 V306 A307 Q351A300-E304 PolarHBondContact O-N 3.34Å; R302-E304 VanDerWaalsContact C-N 3.32Å; E304-V306 PolarHBondContact O-N 2.97Å; E304-A307 PolarHBondContact O-N 3.35Å; E304-Q351 PolarHBondContact OE1-NE2 2.88Å
305V45.9Very low55.9Low97 Ų9796.2 Ų96.259%0.58853%0.533SS*.Hα-helixtrans-64.5-37.7177.9170.30000113E301 R302 A307 L308E301-V305 WeakPolarHBondContact O-CG2 3.3Å; E301-V305 PolarHBondContact O-N 2.96Å; R302-V305 PolarHBondContact O-N 3.02Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 3.27Å; V305-L308 PolarHBondContact O-N 3.33Å
306V40.9Very low58.9Low112 Ų11290.7 Ų90.768%0.67952%0.515SS*.Hα-helixtrans-67.2-28.3179.7170.90000112.4R302 E304 L308 S309R302-V306 WeakPolarHBondContact O-CG2 3.34Å; R302-V306 PolarHBondContact O-N 3.22Å; E304-V306 PolarHBondContact O-N 2.97Å; V306-L308 VanDerWaalsContact C-N 3.33Å; V306-L308 PolarHBondContact O-N 2.93Å; V306-S309 PolarHBondContact O-OG 2.88Å
307A52.3Low61.3Low66 Ų6685.9 Ų85.955%0.54548%0.483SS..Hα-helixtrans-74.1-21.3177.300000113.7E304 V305 C311E304-A307 PolarHBondContact O-N 3.35Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 3.27Å; A307-C311 PolarHBondContact O-SG 2.98Å
308L57.1Low64.3Low36 Ų3683.3 Ų83.319%0.18846%0.456CS..THydrogen-bonded Turntrans-89-6.3-171.5-66.6176.8000114.8V305 V306 D310 C311 V348 L352V305-L308 PolarHBondContact O-N 3.33Å; V306-L308 VanDerWaalsContact C-N 3.33Å; V306-L308 PolarHBondContact O-N 2.93Å; L308-D310 VanDerWaalsContact C-N 3.32Å; L308-D310 PolarHBondContact O-N 3.4Å; L308-C311 PolarHBondContact O-N 3.46Å; L308-V348 HydrophobicContact CD2-CG1 4.36Å; L308-L352 HydrophobicContact CD1-CD2 4.04Å; L308-L352 HydrophobicContact CD2-CD2 3.92Å; L308-L352 HydrophobicContact CD2-CG 4.12Å
309S58.6Low67.2Low73 Ų7385.3 Ų85.351%0.5146%0.456SS..SBendtrans-66.2-32.6-178.857.50000113.8V306 Q312V306-S309 PolarHBondContact O-OG 2.88Å; S309-Q312 WeakPolarHBondContact O-CG 3.47Å; S309-Q312 PolarHBondContact O-NE2 3.07Å
310D74.4Confident70.1Confident110 Ų11082.6 Ų82.659%0.58845%0.445SS*.SBendtrans-82.8-21.7-179.4-67.65.7000111.6Q118 L308 Q312Q118-D310 PolarHBondContact NE2-OD2 2.89Å; L308-D310 VanDerWaalsContact C-N 3.32Å; L308-D310 PolarHBondContact O-N 3.4Å; D310-Q312 PolarHBondContact O-N 3.03Å
311C85.8Confident72.8Confident19 Ų1979.6 Ų79.613%0.12842%0.42CS..  trans-83.138.6-170.7-57.40000113.7A307 L308 Q313 E314 L315 V348A307-C311 PolarHBondContact O-SG 2.98Å; L308-C311 PolarHBondContact O-N 3.46Å; C311-Q313 VanDerWaalsContact C-N 3.29Å; C311-Q313 PolarHBondContact O-N 3.39Å; C311-E314 WeakPolarHBondContact CA-OE2 3.38Å; C311-E314 PolarHBondContact O-N 3.11Å; C311-L315 WeakPolarHBondContact O-CB 3.43Å; C311-L315 PolarHBondContact O-N 3.31Å; C311-V348 HydrophobicContact CB-CG1 3.69Å
312Q89.9Confident75.5Confident140 Ų14074.1 Ų74.165%0.65440%0.395SS*.Hα-helixtrans-66.1-29.9-171-60.3-171.21200113.1S309 D310 S316S309-Q312 WeakPolarHBondContact O-CG 3.47Å; S309-Q312 PolarHBondContact O-NE2 3.07Å; D310-Q312 PolarHBondContact O-N 3.03Å; Q312-S316 VanDerWaalsContact O-CB 3.23Å; Q312-S316 WeakPolarHBondContact O-CB 3.44Å; Q312-S316 PolarHBondContact O-N 3.06Å
313Q93.4Very high78Confident139 Ų13975.9 Ų75.965%0.6540%0.401SS*.Hα-helixtrans-75.9-45.7-179.3-61.4-173.46.100111.1C311 L315 S316 L317 L344C311-Q313 VanDerWaalsContact C-N 3.29Å; C311-Q313 PolarHBondContact O-N 3.39Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 PolarHBondContact O-N 3.07Å; Q313-S316 WeakPolarHBondContact O-CB 3.43Å; Q313-S316 PolarHBondContact O-N 3.08Å; Q313-L317 PolarHBondContact O-N 2.84Å; Q313-L344 HydrophobicContact CB-CD1 4.27Å; Q313-L344 HydrophobicContact CB-CD2 3.73Å
314E95.2Very high80.4Confident24 Ų2472.5 Ų72.511%0.11239%0.387CS..Hα-helixtrans-59-45.6172.3-66.977.7-174.600111.1C311 S316 L317 V318 L344 N345 V348 V349 L352C311-E314 WeakPolarHBondContact CA-OE2 3.38Å; C311-E314 PolarHBondContact O-N 3.11Å; E314-S316 VanDerWaalsContact C-N 3.34Å; E314-S316 PolarHBondContact O-N 3.33Å; E314-L317 PolarHBondContact O-N 3.37Å; E314-V318 WeakPolarHBondContact O-CB 3.4Å; E314-V318 WeakPolarHBondContact O-CG2 3.34Å; E314-V318 PolarHBondContact O-N 3.41Å; E314-L344 HydrophobicContact CG-CB 4.16Å; E314-N345 HydrophobicContact CG-CB 4.44Å; E314-N345 PolarHBondContact OE1-N 3.42Å; E314-V348 HydrophobicContact CB-CG1 3.89Å; E314-V348 HydrophobicContact CG-CB 4.22Å; E314-V348 HydrophobicContact CG-CG1 3.91Å; E314-V349 HydrophobicContact CB-CG2 3.78Å; E314-V349 HydrophobicContact CG-CG2 3.61Å; E314-L352 HydrophobicContact CB-CD1 3.8Å
315L93.8Very high82.2Confident44 Ų4474.7 Ų74.723%0.2341%0.408CS..Hα-helixtrans-67.3-33.7178.5179.7147.8000112.4C311 Q313 R319 L352C311-L315 WeakPolarHBondContact O-CB 3.43Å; C311-L315 PolarHBondContact O-N 3.31Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 PolarHBondContact O-N 3.07Å; L315-R319 VanDerWaalsContact CD2-CZ 3.44Å; L315-R319 WeakPolarHBondContact O-CB 3.49Å; L315-R319 VanDerWaalsContact O-CG 3.24Å; L315-R319 WeakPolarHBondContact O-CG 3.27Å; L315-R319 PolarHBondContact O-N 3.33Å; L315-L352 HydrophobicContact CB-CD1 3.99Å; L315-L352 HydrophobicContact CD1-CD2 4.31Å
316S95.3Very high84.4Confident67 Ų6776.9 Ų76.947%0.46941%0.406SS..Hα-helixtrans-67.3-44.8170.3-171.60000111.8Q312 Q313 E314 R319 T320Q312-S316 VanDerWaalsContact O-CB 3.23Å; Q312-S316 WeakPolarHBondContact O-CB 3.44Å; Q312-S316 PolarHBondContact O-N 3.06Å; Q313-S316 WeakPolarHBondContact O-CB 3.43Å; Q313-S316 PolarHBondContact O-N 3.08Å; E314-S316 VanDerWaalsContact C-N 3.34Å; E314-S316 PolarHBondContact O-N 3.33Å; S316-R319 PolarHBondContact O-N 2.9Å; S316-T320 WeakPolarHBondContact O-CB 3.44Å; S316-T320 PolarHBondContact O-N 2.83Å; S316-T320 PolarHBondContact O-OG1 2.73Å
317L96.8Very high86.8Confident15 Ų1572.7 Ų72.78%0.07938%0.383CS..Hα-helixtrans-60.9-46.2175.9178.262000111.6Q313 E314 T320 V321 F337 A340 L344 V349Q313-L317 PolarHBondContact O-N 2.84Å; E314-L317 PolarHBondContact O-N 3.37Å; L317-T320 WeakPolarHBondContact O-CB 3.3Å; L317-T320 PolarHBondContact O-N 2.99Å; L317-T320 VanDerWaalsContact O-N 3.15Å; L317-V321 PolarHBondContact O-N 2.95Å; L317-F337 HydrophobicContact CD1-CD2 4.08Å; L317-F337 HydrophobicContact CD2-CD2 4.09Å; L317-F337 HydrophobicContact CD2-CE2 4.2Å; L317-F337 HydrophobicContact CG-CD2 3.99Å; L317-F337 HydrophobicContact CG-CE2 4.29Å; L317-A340 HydrophobicContact CD1-CB 3.71Å; L317-A340 HydrophobicContact CD2-CB 3.67Å; L317-A340 HydrophobicContact CG-CB 4.33Å; L317-L344 HydrophobicContact CB-CD1 4.29Å; L317-L344 HydrophobicContact CD2-CD1 3.94Å; L317-V349 HydrophobicContact CD2-CG2 4.38Å
318V96.2Very high88.7Confident0 Ų076.4 Ų76.40%039%0.387CS..Hα-helixtrans-64.6-43.6178.6172.90000111.3E314 T320 T322 V349 L352 L353E314-V318 WeakPolarHBondContact O-CB 3.4Å; E314-V318 WeakPolarHBondContact O-CG2 3.34Å; E314-V318 PolarHBondContact O-N 3.41Å; V318-T320 VanDerWaalsContact C-N 3.26Å; V318-T320 PolarHBondContact O-N 2.97Å; V318-T322 HydrophobicContact CG1-CG2 4.15Å; V318-T322 WeakPolarHBondContact O-CB 3.5Å; V318-T322 VanDerWaalsContact O-CG2 3.27Å; V318-T322 WeakPolarHBondContact O-CG2 3.47Å; V318-T322 PolarHBondContact O-N 2.97Å; V318-T322 PolarHBondContact O-OG1 3.45Å; V318-V349 HydrophobicContact CG2-CG1 3.89Å; V318-L352 HydrophobicContact CB-CB 4.33Å; V318-L352 HydrophobicContact CG1-CB 4.26Å; V318-L352 HydrophobicContact CG2-CB 3.9Å; V318-L353 HydrophobicContact CG1-CD2 3.99Å; V318-L353 HydrophobicContact CG1-CG 4.22Å; V318-L353 HydrophobicContact CG2-CD2 4.38Å; V318-L353 HydrophobicContact CG2-CG 3.97Å
319R94.6Very high90.6Very high153 Ų15375.9 Ų75.958%0.57738%0.384SS*.Hα-helixtrans-60.2-36.8172.1-77.2173.9175.2177.7-0.3112.3L315 S316 R323L315-R319 VanDerWaalsContact CD2-CZ 3.44Å; L315-R319 WeakPolarHBondContact O-CB 3.49Å; L315-R319 VanDerWaalsContact O-CG 3.24Å; L315-R319 WeakPolarHBondContact O-CG 3.27Å; L315-R319 PolarHBondContact O-N 3.33Å; S316-R319 PolarHBondContact O-N 2.9Å; R319-R323 WeakPolarHBondContact O-CB 3.22Å; R319-R323 PolarHBondContact O-N 2.66Å; R319-R323 VanDerWaalsContact O-N 3.14Å
320T96.2Very high92.4Very high86 Ų8673.8 Ų73.853%0.52837%0.37SS..Hα-helixtrans-70.3-48.8-179.7-590000111.6S316 L317 V318S316-T320 WeakPolarHBondContact O-CB 3.44Å; S316-T320 PolarHBondContact O-N 2.83Å; S316-T320 PolarHBondContact O-OG1 2.73Å; L317-T320 WeakPolarHBondContact O-CB 3.3Å; L317-T320 PolarHBondContact O-N 2.99Å; L317-T320 VanDerWaalsContact O-N 3.15Å; V318-T320 VanDerWaalsContact C-N 3.26Å; V318-T320 PolarHBondContact O-N 2.97Å
321V96.5Very high93.4Very high8 Ų876.6 Ų76.65%0.04837%0.372CS..Hα-helixtrans-71.7-34.5-179.475.90000112.4L317 L329 F337 L353 R367 A371L317-V321 PolarHBondContact O-N 2.95Å; V321-L329 HydrophobicContact CG2-CD1 3.63Å; V321-L329 HydrophobicContact CG2-CD2 3.66Å; V321-L329 HydrophobicContact CG2-CG 4.31Å; V321-F337 HydrophobicContact CB-CD2 3.94Å; V321-F337 HydrophobicContact CB-CG 4.47Å; V321-F337 HydrophobicContact CG1-CD2 3.84Å; V321-F337 HydrophobicContact CG1-CE2 4.01Å; V321-F337 HydrophobicContact CG2-CB 4.03Å; V321-F337 HydrophobicContact CG2-CD2 3.94Å; V321-F337 HydrophobicContact CG2-CG 3.99Å; V321-L353 HydrophobicContact CG1-CD2 4.27Å; V321-R367 PolarHBondContact O-NE 2.72Å; V321-R367 PolarHBondContact O-NH2 3.37Å; V321-R367 VanDerWaalsContact O-NH2 3.09Å; V321-A371 HydrophobicContact CG1-CB 4.01Å; V321-A371 HydrophobicContact CG2-CB 4.1Å
322T95.6Very high93.9Very high8 Ų881.2 Ų81.25%0.04939%0.392CS..Hα-helixtrans-81-17.6179.861.60000114.1V318 L353 H356 R367 A368V318-T322 HydrophobicContact CG1-CG2 4.15Å; V318-T322 WeakPolarHBondContact O-CB 3.5Å; V318-T322 VanDerWaalsContact O-CG2 3.27Å; V318-T322 WeakPolarHBondContact O-CG2 3.47Å; V318-T322 PolarHBondContact O-N 2.97Å; V318-T322 PolarHBondContact O-OG1 3.45Å; T322-L353 HydrophobicContact CG2-CD2 3.85Å; T322-H356 HydrophobicContact CG2-CB 4.45Å; T322-R367 WeakPolarHBondContact O-CD 3.33Å; T322-A368 HydrophobicContact CG2-CB 3.82Å
323R93.3Very high94.2Very high212 Ų21277.1 Ų77.180%0.837%0.373SS*.  trans-83.9134.3171.5-173.9175-174.4169.11.6110.7R319 R367R319-R323 WeakPolarHBondContact O-CB 3.22Å; R319-R323 PolarHBondContact O-N 2.66Å; R319-R323 VanDerWaalsContact O-N 3.14Å; R323-R367 VanDerWaalsContact O-CZ 3.3Å; R323-R367 PolarHBondContact O-NE 2.9Å; R323-R367 PolarHBondContact O-NH2 2.85Å
324G89.3Confident94.3Very high29 Ų2971.2 Ų71.230%0.29935%0.347SS..SBendtrans162.3159.2172.500000112.5R326G324-R326 VanDerWaalsContact C-N 3.27Å; G324-R326 PolarHBondContact O-N 2.99Å
325P85.8Confident94.4Very high130 Ų13073.9 Ų73.984%0.84436%0.36SS*.SBendtrans-79.4-6.518032-35.1000113.7
326R91.9Very high94.5Very high144 Ų14477.9 Ų77.954%0.54338%0.377SS..SBendtrans-119.1129-176.8-59.8-178.2-58.2-144.40.2110.7G324 F328 E333 R367G324-R326 VanDerWaalsContact C-N 3.27Å; G324-R326 PolarHBondContact O-N 2.99Å; R326-F328 PolarHBondContact O-N 2.96Å; R326-F328 VanDerWaalsContact O-N 3.17Å; R326-E333 IonicContact NH2-OE2 3.69Å; R326-E333 PolarHBondContact NH2-OE2 2.95Å; R326-R367 WeakPolarHBondContact O-CD 3.03Å; R326-R367 VanDerWaalsContact O-CG 3.26Å; R326-R367 WeakPolarHBondContact O-CG 3.46Å; R326-R367 PolarHBondContact O-NH1 3.3Å
327A91.3Very high94.7Very high24 Ų2474.8 Ų74.820%0.19836%0.355CS..SBendtrans-60.8-21.8178.700000114.7L366 R367A327-L366 HydrophobicContact CB-CB 3.79Å; A327-L366 HydrophobicContact CB-CD1 3.62Å; A327-L366 HydrophobicContact CB-CG 4.32Å; A327-L366 CarbonylContact O-C 3.57Å; A327-L366 VanDerWaalsContact O-C 3.29Å; A327-L366 WeakPolarHBondContact O-CB 3.48Å; A327-R367 PolarHBondContact O-N 2.94Å
328F92.9Very high94.7Very high143 Ų14376.3 Ų76.363%0.62736%0.363SS*.SBendtrans-103.1148.2174.8-58-79.8000110.8R326 R367R326-F328 PolarHBondContact O-N 2.96Å; R326-F328 VanDerWaalsContact O-N 3.17Å; F328-R367 PolarHBondContact O-NH1 3.01Å
329L96.2Very high94.8Very high25 Ų2583.8 Ų83.813%0.13140%0.395CS..PPolyproline II helixtrans-80141.3168.1-56.2177.8000109.5V321 E333 A334 R367 C370 A371V321-L329 HydrophobicContact CG2-CD1 3.63Å; V321-L329 HydrophobicContact CG2-CD2 3.66Å; V321-L329 HydrophobicContact CG2-CG 4.31Å; L329-E333 HydrophobicContact CB-CB 4.09Å; L329-E333 HydrophobicContact CD2-CB 4.39Å; L329-A334 HydrophobicContact CB-CB 4.42Å; L329-R367 HydrophobicContact CD2-CB 4.34Å; L329-R367 HydrophobicContact CD2-CG 4.37Å; L329-C370 HydrophobicContact CB-CB 4.39Å; L329-C370 HydrophobicContact CD1-CB 3.71Å; L329-C370 HydrophobicContact CG-CB 3.62Å; L329-A371 HydrophobicContact CD1-CB 4.3Å
330S95.8Very high94.9Very high30 Ų3077.4 Ų77.421%0.2138%0.375CS..PPolyproline II helixtrans-69.8168.316490.90000111E332 E333 A334S330-E332 WeakPolarHBondContact CB-OE2 3.35Å; S330-E332 PolarHBondContact O-N 3.06Å; S330-E332 PolarHBondContact OG-N 2.94Å; S330-E332 PolarHBondContact OG-OE2 3.4Å; S330-E333 PolarHBondContact N-OE2 3.23Å; S330-E333 PolarHBondContact O-N 3.22Å; S330-E333 PolarHBondContact OG-N 3.15Å; S330-E333 VanDerWaalsContact OG-N 3.16Å; S330-A334 WeakPolarHBondContact O-CB 3.23Å; S330-A334 PolarHBondContact O-N 3.1Å
331R95.4Very high94.9Very high169 Ų16973.3 Ų73.364%0.63835%0.35SS*.Hα-helixtrans-61.8-35.2176.8178.5178.4178.6-81.33.4111.3Q335R331-Q335 VanDerWaalsContact O-CB 3.27Å; R331-Q335 WeakPolarHBondContact O-CB 3.18Å; R331-Q335 WeakPolarHBondContact O-CG 3.49Å; R331-Q335 PolarHBondContact O-N 3.31Å
332E96.1Very high94.8Very high116 Ų11675.1 Ų75.154%0.54237%0.371SS..Hα-helixtrans-72.4-45.7178.8-53.363.9-130.400110.4S330 A334 Q335 H336S330-E332 WeakPolarHBondContact CB-OE2 3.35Å; S330-E332 PolarHBondContact O-N 3.06Å; S330-E332 PolarHBondContact OG-N 2.94Å; S330-E332 PolarHBondContact OG-OE2 3.4Å; E332-A334 VanDerWaalsContact C-N 3.34Å; E332-A334 PolarHBondContact O-N 3.1Å; E332-Q335 PolarHBondContact O-N 3.17Å; E332-H336 VanDerWaalsContact O-CB 3.3Å; E332-H336 WeakPolarHBondContact O-CB 3.49Å; E332-H336 PolarHBondContact O-N 2.88Å
333E96.1Very high94.8Very high54 Ų5482.1 Ų82.125%0.25241%0.407SS..Hα-helixtrans-57.9-45.7174.1-67.8177.5110.500110.9R326 L329 S330 F337 R367R326-E333 IonicContact NH2-OE2 3.69Å; R326-E333 PolarHBondContact NH2-OE2 2.95Å; L329-E333 HydrophobicContact CB-CB 4.09Å; L329-E333 HydrophobicContact CD2-CB 4.39Å; S330-E333 PolarHBondContact N-OE2 3.23Å; S330-E333 PolarHBondContact O-N 3.22Å; S330-E333 PolarHBondContact OG-N 3.15Å; S330-E333 VanDerWaalsContact OG-N 3.16Å; E333-F337 VanDerWaalsContact O-CB 3.29Å; E333-F337 WeakPolarHBondContact O-CB 3.34Å; E333-F337 PolarHBondContact O-N 3.24Å; E333-R367 IonicContact OE1-CZ 3.65Å; E333-R367 IonicContact OE1-NH1 3.42Å; E333-R367 PolarHBondContact OE1-NH1 3.07Å; E333-R367 IonicContact OE1-NH2 3.79Å; E333-R367 PolarHBondContact OE1-NH2 3.37Å; E333-R367 IonicContact OE2-NH1 3.24Å
334A96.4Very high94.8Very high14 Ų1473.9 Ų73.912%0.11638%0.379CS..Hα-helixtrans-69-41.8178.500000113.1L329 S330 E332 F337 I338L329-A334 HydrophobicContact CB-CB 4.42Å; S330-A334 WeakPolarHBondContact O-CB 3.23Å; S330-A334 PolarHBondContact O-N 3.1Å; E332-A334 VanDerWaalsContact C-N 3.34Å; E332-A334 PolarHBondContact O-N 3.1Å; A334-F337 PolarHBondContact O-N 2.95Å; A334-I338 WeakPolarHBondContact O-CG1 3.3Å; A334-I338 PolarHBondContact O-N 3.45Å
335Q96.8Very high95Very high81 Ų8176.1 Ų76.138%0.37938%0.384SS..Hα-helixtrans-68.3-38.3177.4-77.8-179.2-18.400112.5R331 E332 K339R331-Q335 VanDerWaalsContact O-CB 3.27Å; R331-Q335 WeakPolarHBondContact O-CB 3.18Å; R331-Q335 WeakPolarHBondContact O-CG 3.49Å; R331-Q335 PolarHBondContact O-N 3.31Å; E332-Q335 PolarHBondContact O-N 3.17Å; Q335-K339 WeakPolarHBondContact O-CB 3.29Å; Q335-K339 VanDerWaalsContact O-CG 3.28Å; Q335-K339 WeakPolarHBondContact O-CG 3.4Å; Q335-K339 PolarHBondContact O-N 3.44Å
336H97.2Very high95.4Very high128 Ų12870.5 Ų70.559%0.59335%0.348SS*.Hα-helixtrans-64.5-44.8172.9-175.7-79.7000111E332 K339 A340E332-H336 VanDerWaalsContact O-CB 3.3Å; E332-H336 WeakPolarHBondContact O-CB 3.49Å; E332-H336 PolarHBondContact O-N 2.88Å; H336-K339 PolarHBondContact O-N 3.38Å; H336-A340 WeakPolarHBondContact O-CB 3.31Å; H336-A340 PolarHBondContact O-N 2.92Å
337F97.8Very high95.5Very high2 Ų268 Ų681%0.00934%0.342CS..Hα-helixtrans-57.8-50.7175.4170.3-101.9000112.1L317 V321 E333 A334 K339 A340 C341 V349 L353 A371 L375L317-F337 HydrophobicContact CD1-CD2 4.08Å; L317-F337 HydrophobicContact CD2-CD2 4.09Å; L317-F337 HydrophobicContact CD2-CE2 4.2Å; L317-F337 HydrophobicContact CG-CD2 3.99Å; L317-F337 HydrophobicContact CG-CE2 4.29Å; V321-F337 HydrophobicContact CB-CD2 3.94Å; V321-F337 HydrophobicContact CB-CG 4.47Å; V321-F337 HydrophobicContact CG1-CD2 3.84Å; V321-F337 HydrophobicContact CG1-CE2 4.01Å; V321-F337 HydrophobicContact CG2-CB 4.03Å; V321-F337 HydrophobicContact CG2-CD2 3.94Å; V321-F337 HydrophobicContact CG2-CG 3.99Å; E333-F337 VanDerWaalsContact O-CB 3.29Å; E333-F337 WeakPolarHBondContact O-CB 3.34Å; E333-F337 PolarHBondContact O-N 3.24Å; A334-F337 PolarHBondContact O-N 2.95Å; F337-K339 PolarHBondContact O-N 3.03Å; F337-A340 PolarHBondContact O-N 3.08Å; F337-C341 WeakPolarHBondContact CE2-SG 3.31Å; F337-C341 WeakPolarHBondContact CZ-SG 3.35Å; F337-C341 WeakPolarHBondContact O-CB 3.5Å; F337-C341 PolarHBondContact O-N 3.14Å; F337-C341 PolarHBondContact O-SG 2.87Å; F337-V349 HydrophobicContact CE2-CG1 3.78Å; F337-V349 HydrophobicContact CZ-CG1 3.92Å; F337-L353 HydrophobicContact CE2-CD1 4.2Å; F337-L353 HydrophobicContact CZ-CD1 3.75Å; F337-A371 HydrophobicContact CD1-CB 4.28Å; F337-A371 HydrophobicContact CE1-CB 3.85Å; F337-A371 WeakPolarHBondContact CE1-O 3.14Å; F337-A371 HydrophobicContact CE2-CB 4.14Å; F337-A371 HydrophobicContact CZ-CB 3.78Å; F337-L375 HydrophobicContact CE1-CB 4.24Å
338I97.6Very high95.6Very high46 Ų4667.6 Ų67.624%0.23634%0.337CS..Hα-helixtrans-60.4-44.4178.3-69.8164.8000111.5A334 A340 C341 G342 A378 L380A334-I338 WeakPolarHBondContact O-CG1 3.3Å; A334-I338 PolarHBondContact O-N 3.45Å; I338-A340 VanDerWaalsContact C-N 3.34Å; I338-A340 PolarHBondContact O-N 3.4Å; I338-C341 WeakPolarHBondContact O-CB 3.48Å; I338-C341 PolarHBondContact O-N 3.09Å; I338-G342 PolarHBondContact O-N 3.05Å; I338-A378 HydrophobicContact CB-CB 4.5Å; I338-A378 HydrophobicContact CD1-CB 4.06Å; I338-A378 HydrophobicContact CG1-CB 4Å; I338-A378 HydrophobicContact CG2-CB 3.69Å; I338-L380 HydrophobicContact CG2-CD1 4.21Å
339K97.2Very high95.8Very high157 Ų15760.8 Ų60.868%0.68331%0.307SS*.Hα-helixtrans-61.1-41.5176.9-76.1177.1178.2-1740112.5Q335 H336 F337 G342Q335-K339 WeakPolarHBondContact O-CB 3.29Å; Q335-K339 VanDerWaalsContact O-CG 3.28Å; Q335-K339 WeakPolarHBondContact O-CG 3.4Å; Q335-K339 PolarHBondContact O-N 3.44Å; H336-K339 PolarHBondContact O-N 3.38Å; F337-K339 PolarHBondContact O-N 3.03Å; K339-G342 PolarHBondContact O-N 3.33Å
340A96.9Very high95.8Very high19 Ų1959.7 Ų59.716%0.15730%0.301CS..Hα-helixtrans-69.8-38.3177.400000112.1L317 H336 F337 I338 G342 L343 L344L317-A340 HydrophobicContact CD1-CB 3.71Å; L317-A340 HydrophobicContact CD2-CB 3.67Å; L317-A340 HydrophobicContact CG-CB 4.33Å; H336-A340 WeakPolarHBondContact O-CB 3.31Å; H336-A340 PolarHBondContact O-N 2.92Å; F337-A340 PolarHBondContact O-N 3.08Å; I338-A340 VanDerWaalsContact C-N 3.34Å; I338-A340 PolarHBondContact O-N 3.4Å; A340-G342 VanDerWaalsContact C-N 3.29Å; A340-G342 PolarHBondContact O-N 3.09Å; A340-L343 PolarHBondContact O-N 3.45Å; A340-L343 VanDerWaalsContact O-N 3.07Å; A340-L344 WeakPolarHBondContact O-CG 3.27Å; A340-L344 PolarHBondContact O-N 3.42Å
341C96.3Very high95.7Very high0 Ų061.6 Ų61.60%031%0.307CS..Hα-helixtrans-57.3-41.4171.9-72.10000112F337 I338 L343 L344 C346 L375 L380F337-C341 WeakPolarHBondContact CE2-SG 3.31Å; F337-C341 WeakPolarHBondContact CZ-SG 3.35Å; F337-C341 WeakPolarHBondContact O-CB 3.5Å; F337-C341 PolarHBondContact O-N 3.14Å; F337-C341 PolarHBondContact O-SG 2.87Å; I338-C341 WeakPolarHBondContact O-CB 3.48Å; I338-C341 PolarHBondContact O-N 3.09Å; C341-L343 PolarHBondContact O-N 3.43Å; C341-L344 PolarHBondContact O-N 3.5Å; C341-L344 VanDerWaalsContact O-N 3.11Å; C341-C346 VanDerWaalsContact C-SG 3.58Å; C341-C346 PolarHBondContact O-SG 2.89Å; C341-L375 HydrophobicContact CB-CD1 4.18Å; C341-L380 HydrophobicContact CB-CD1 3.65Å
342G94.9Very high95.7Very high47 Ų4753.9 Ų53.949%0.48528%0.278SS..THydrogen-bonded Turntrans-64.5-7176.300000115.5I338 K339 A340I338-G342 PolarHBondContact O-N 3.05Å; K339-G342 PolarHBondContact O-N 3.33Å; A340-G342 VanDerWaalsContact C-N 3.29Å; A340-G342 PolarHBondContact O-N 3.09Å
343L94.9Very high95.6Very high155 Ų15548.3 Ų48.381%0.81225%0.253SS*.THydrogen-bonded Turntrans-112.7-5.1176-60.3176.5000113.2A340 C341A340-L343 PolarHBondContact O-N 3.45Å; A340-L343 VanDerWaalsContact O-N 3.07Å; C341-L343 PolarHBondContact O-N 3.43Å
344L94.5Very high95.5Very high39 Ų3946.9 Ų46.920%0.20425%0.248CC..SBendtrans-126.9174.2-172-66.3-179.1000111.3Q313 E314 L317 A340 C341 C346Q313-L344 HydrophobicContact CB-CD1 4.27Å; Q313-L344 HydrophobicContact CB-CD2 3.73Å; E314-L344 HydrophobicContact CG-CB 4.16Å; L317-L344 HydrophobicContact CB-CD1 4.29Å; L317-L344 HydrophobicContact CD2-CD1 3.94Å; A340-L344 WeakPolarHBondContact O-CG 3.27Å; A340-L344 PolarHBondContact O-N 3.42Å; C341-L344 PolarHBondContact O-N 3.5Å; C341-L344 VanDerWaalsContact O-N 3.11Å; L344-C346 PolarHBondContact O-N 3.28Å
345N93.4Very high95.3Very high76 Ų7648.9 Ų48.941%0.40626%0.26SS..  trans-73.895.1175.6-171.9-19.1000111.2E314 E347 V348 V349E314-N345 HydrophobicContact CG-CB 4.44Å; E314-N345 PolarHBondContact OE1-N 3.42Å; N345-E347 PolarHBondContact O-N 3.39Å; N345-E347 VanDerWaalsContact O-N 3.17Å; N345-E347 WeakPolarHBondContact OD1-CB 3.29Å; N345-E347 PolarHBondContact OD1-N 3.46Å; N345-V348 HydrophobicContact CB-CB 4.08Å; N345-V348 HydrophobicContact CB-CG2 4.14Å; N345-V348 WeakPolarHBondContact ND2-CG2 3.27Å; N345-V348 PolarHBondContact O-N 3.34Å; N345-V348 VanDerWaalsContact O-N 3.1Å; N345-V348 PolarHBondContact OD1-N 3.32Å; N345-V349 WeakPolarHBondContact O-CG2 3.4Å; N345-V349 PolarHBondContact O-N 3.5Å
346C94.2Very high95Very high12 Ų1246.9 Ų46.98%0.08125%0.251CS..Hα-helixtrans-53.8-32.2177.9-77.70000114.2C341 L344 L350 L381C341-C346 VanDerWaalsContact C-SG 3.58Å; C341-C346 PolarHBondContact O-SG 2.89Å; L344-C346 PolarHBondContact O-N 3.28Å; C346-L350 VanDerWaalsContact O-CB 3.31Å; C346-L350 WeakPolarHBondContact O-CB 3.41Å; C346-L350 PolarHBondContact O-N 3.48Å; C346-L381 HydrophobicContact CB-CD1 3.83Å; C346-L381 HydrophobicContact CB-CD2 3.95Å; C346-L381 HydrophobicContact CB-CG 3.73Å
347E94Very high94.7Very high90 Ų9040.9 Ų40.942%0.42122%0.223SC..Hα-helixtrans-68.5-43.3178.4-53.2-165.2159.700111.1N345 L350 Q351 L381 H385N345-E347 PolarHBondContact O-N 3.39Å; N345-E347 VanDerWaalsContact O-N 3.17Å; N345-E347 WeakPolarHBondContact OD1-CB 3.29Å; N345-E347 PolarHBondContact OD1-N 3.46Å; E347-L350 PolarHBondContact O-N 2.93Å; E347-Q351 WeakPolarHBondContact O-CB 3.32Å; E347-Q351 PolarHBondContact O-N 2.97Å; E347-L381 HydrophobicContact CG-CD1 4.48Å; E347-L381 HydrophobicContact CG-CD2 3.92Å; E347-H385 VanDerWaalsContact CD-CE1 3.48Å; E347-H385 IonicContact OE1-CE1 2.68Å; E347-H385 PolarHBondContact OE1-CE1 3.49Å; E347-H385 VanDerWaalsContact OE1-CE1 3.22Å; E347-H385 IonicContact OE1-ND1 3.26Å
348V94.1Very high94.3Very high17 Ų1748.4 Ų48.410%0.10325%0.251CS..Hα-helixtrans-67.6-40.2175.9170.20000111L308 C311 E314 N345 L350 Q351 L352L308-V348 HydrophobicContact CD2-CG1 4.36Å; C311-V348 HydrophobicContact CB-CG1 3.69Å; E314-V348 HydrophobicContact CB-CG1 3.89Å; E314-V348 HydrophobicContact CG-CB 4.22Å; E314-V348 HydrophobicContact CG-CG1 3.91Å; N345-V348 HydrophobicContact CB-CB 4.08Å; N345-V348 HydrophobicContact CB-CG2 4.14Å; N345-V348 WeakPolarHBondContact ND2-CG2 3.27Å; N345-V348 PolarHBondContact O-N 3.34Å; N345-V348 VanDerWaalsContact O-N 3.1Å; N345-V348 PolarHBondContact OD1-N 3.32Å; V348-L350 VanDerWaalsContact C-N 3.31Å; V348-L350 PolarHBondContact O-N 3.34Å; V348-Q351 PolarHBondContact O-N 2.88Å; V348-L352 HydrophobicContact CG1-CD1 3.78Å; V348-L352 HydrophobicContact CG1-CG 4.36Å; V348-L352 VanDerWaalsContact O-CB 3.29Å; V348-L352 WeakPolarHBondContact O-CB 3.42Å; V348-L352 VanDerWaalsContact O-CG 3.3Å; V348-L352 WeakPolarHBondContact O-CG 3.37Å; V348-L352 PolarHBondContact O-N 3.26Å
349V95.9Very high93.4Very high0 Ų050.3 Ų50.30%028%0.282CS..Hα-helixtrans-59.1-43.5172.3174.10000110.8E314 L317 V318 F337 N345 L353E314-V349 HydrophobicContact CB-CG2 3.78Å; E314-V349 HydrophobicContact CG-CG2 3.61Å; L317-V349 HydrophobicContact CD2-CG2 4.38Å; V318-V349 HydrophobicContact CG2-CG1 3.89Å; F337-V349 HydrophobicContact CE2-CG1 3.78Å; F337-V349 HydrophobicContact CZ-CG1 3.92Å; N345-V349 WeakPolarHBondContact O-CG2 3.4Å; N345-V349 PolarHBondContact O-N 3.5Å; V349-L353 HydrophobicContact CG1-CD1 3.96Å; V349-L353 HydrophobicContact CG1-CG 4.5Å; V349-L353 WeakPolarHBondContact O-CB 3.39Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.28Å; V349-L353 PolarHBondContact O-N 3.27Å
350L96Very high93Very high1 Ų145 Ų451%0.00526%0.263CS..Hα-helixtrans-66.8-41.3178.4-178.260.7000112.6C346 E347 V348 L353 T354 I372 L375 L381 I386 R389 T390C346-L350 VanDerWaalsContact O-CB 3.31Å; C346-L350 WeakPolarHBondContact O-CB 3.41Å; C346-L350 PolarHBondContact O-N 3.48Å; E347-L350 PolarHBondContact O-N 2.93Å; V348-L350 VanDerWaalsContact C-N 3.31Å; V348-L350 PolarHBondContact O-N 3.34Å; L350-L353 PolarHBondContact O-N 3.15Å; L350-T354 WeakPolarHBondContact O-CB 3.5Å; L350-T354 PolarHBondContact O-N 2.95Å; L350-T354 PolarHBondContact O-OG1 3.48Å; L350-I372 HydrophobicContact CD1-CG1 4.17Å; L350-I372 HydrophobicContact CD1-CG2 4.46Å; L350-L375 HydrophobicContact CB-CD2 4.2Å; L350-L375 HydrophobicContact CD1-CD2 4.29Å; L350-L381 HydrophobicContact CD2-CD1 4.13Å; L350-I386 HydrophobicContact CD1-CG2 4.35Å; L350-I386 HydrophobicContact CD2-CB 4.25Å; L350-I386 HydrophobicContact CD2-CG1 4.23Å; L350-I386 HydrophobicContact CD2-CG2 4.12Å; L350-R389 HydrophobicContact CD2-CB 4Å; L350-R389 HydrophobicContact CD2-CG 4.42Å; L350-T390 HydrophobicContact CD1-CG2 3.58Å; L350-T390 HydrophobicContact CD2-CG2 4.45Å; L350-T390 HydrophobicContact CG-CG2 4.21Å
351Q94.4Very high92.8Very high70 Ų7047.3 Ų47.333%0.32728%0.277SS..Hα-helixtrans-61.6-52.6174.8-172.1175.67.500110.5E304 E347 V348 L353 T354 C355E304-Q351 PolarHBondContact OE1-NE2 2.88Å; E347-Q351 WeakPolarHBondContact O-CB 3.32Å; E347-Q351 PolarHBondContact O-N 2.97Å; V348-Q351 PolarHBondContact O-N 2.88Å; Q351-L353 VanDerWaalsContact C-N 3.34Å; Q351-L353 PolarHBondContact O-N 2.84Å; Q351-T354 CarbonylContact O-C 3.54Å; Q351-T354 WeakPolarHBondContact O-CA 3.47Å; Q351-T354 WeakPolarHBondContact O-CB 3.18Å; Q351-T354 PolarHBondContact O-N 2.86Å; Q351-C355 PolarHBondContact O-N 3.35Å; Q351-C355 PolarHBondContact O-SG 3.44Å
352L94.2Very high92.6Very high7 Ų753.1 Ų53.14%0.03731%0.305CS..Hα-helixtrans-58.1-40.8176.3-76.5167000112.9L308 E314 L315 V318 V348 T354 C355 H356L308-L352 HydrophobicContact CD1-CD2 4.04Å; L308-L352 HydrophobicContact CD2-CD2 3.92Å; L308-L352 HydrophobicContact CD2-CG 4.12Å; E314-L352 HydrophobicContact CB-CD1 3.8Å; L315-L352 HydrophobicContact CB-CD1 3.99Å; L315-L352 HydrophobicContact CD1-CD2 4.31Å; V318-L352 HydrophobicContact CB-CB 4.33Å; V318-L352 HydrophobicContact CG1-CB 4.26Å; V318-L352 HydrophobicContact CG2-CB 3.9Å; V348-L352 HydrophobicContact CG1-CD1 3.78Å; V348-L352 HydrophobicContact CG1-CG 4.36Å; V348-L352 VanDerWaalsContact O-CB 3.29Å; V348-L352 WeakPolarHBondContact O-CB 3.42Å; V348-L352 VanDerWaalsContact O-CG 3.3Å; V348-L352 WeakPolarHBondContact O-CG 3.37Å; V348-L352 PolarHBondContact O-N 3.26Å; L352-T354 VanDerWaalsContact C-N 3.32Å; L352-C355 PolarHBondContact O-N 3.28Å; L352-H356 PolarHBondContact O-N 3.11Å; L352-H356 PolarHBondContact O-ND1 2.89Å
353L95.6Very high92.6Very high0 Ų052.7 Ų52.70%029%0.294CS..Hα-helixtrans-62-39.7172.8-80.7168.3000112V318 V321 T322 F337 V349 L350 Q351 H356 L357 A368 A371 I372V318-L353 HydrophobicContact CG1-CD2 3.99Å; V318-L353 HydrophobicContact CG1-CG 4.22Å; V318-L353 HydrophobicContact CG2-CD2 4.38Å; V318-L353 HydrophobicContact CG2-CG 3.97Å; V321-L353 HydrophobicContact CG1-CD2 4.27Å; T322-L353 HydrophobicContact CG2-CD2 3.85Å; F337-L353 HydrophobicContact CE2-CD1 4.2Å; F337-L353 HydrophobicContact CZ-CD1 3.75Å; V349-L353 HydrophobicContact CG1-CD1 3.96Å; V349-L353 HydrophobicContact CG1-CG 4.5Å; V349-L353 WeakPolarHBondContact O-CB 3.39Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.28Å; V349-L353 PolarHBondContact O-N 3.27Å; L350-L353 PolarHBondContact O-N 3.15Å; Q351-L353 VanDerWaalsContact C-N 3.34Å; Q351-L353 PolarHBondContact O-N 2.84Å; L353-H356 PolarHBondContact O-N 3.27Å; L353-L357 PolarHBondContact O-N 3.4Å; L353-A368 HydrophobicContact CD2-CB 4.1Å; L353-A371 HydrophobicContact CD1-CB 3.79Å; L353-A371 HydrophobicContact CD2-CB 3.72Å; L353-A371 HydrophobicContact CG-CB 4.45Å; L353-I372 HydrophobicContact CB-CD1 4.19Å; L353-I372 HydrophobicContact CB-CG1 3.97Å; L353-I372 HydrophobicContact CD1-CG1 4.15Å
354T94.3Very high92.6Very high24 Ų2446.8 Ų46.815%0.14726%0.264CS..Hα-helixtrans-67.8-38.9177.7-550000111.2L350 Q351 L352 H356 L357 R393L350-T354 WeakPolarHBondContact O-CB 3.5Å; L350-T354 PolarHBondContact O-N 2.95Å; L350-T354 PolarHBondContact O-OG1 3.48Å; Q351-T354 CarbonylContact O-C 3.54Å; Q351-T354 WeakPolarHBondContact O-CA 3.47Å; Q351-T354 WeakPolarHBondContact O-CB 3.18Å; Q351-T354 PolarHBondContact O-N 2.86Å; L352-T354 VanDerWaalsContact C-N 3.32Å; T354-H356 PolarHBondContact O-N 3.45Å; T354-L357 WeakPolarHBondContact O-CB 3.43Å; T354-L357 PolarHBondContact O-N 2.87Å; T354-R393 HydrophobicContact CG2-CB 3.71Å; T354-R393 HydrophobicContact CG2-CG 4.08Å
355C91.1Very high92.6Very high56 Ų5646.2 Ų46.238%0.37826%0.26SS..Hα-helixtrans-60.8-41.9170.4-56.90000111.8Q351 L352 L357 R358Q351-C355 PolarHBondContact O-N 3.35Å; Q351-C355 PolarHBondContact O-SG 3.44Å; L352-C355 PolarHBondContact O-N 3.28Å; C355-L357 PolarHBondContact O-N 2.9Å; C355-R358 PolarHBondContact O-N 3Å
356H90.1Very high92.8Very high39 Ų3943.3 Ų43.318%0.18125%0.245CC..THydrogen-bonded Turntrans-65.7-4177.3-78.570.4000114.2T322 L352 L353 T354 T360T322-H356 HydrophobicContact CG2-CB 4.45Å; L352-H356 PolarHBondContact O-N 3.11Å; L352-H356 PolarHBondContact O-ND1 2.89Å; L353-H356 PolarHBondContact O-N 3.27Å; T354-H356 PolarHBondContact O-N 3.45Å; H356-T360 WeakPolarHBondContact O-CG2 3.4Å; H356-T360 PolarHBondContact O-OG1 3Å
357L91.9Very high92.9Very high1 Ų142.9 Ų42.91%0.00524%0.242CC..THydrogen-bonded Turntrans-85.6-5.5170-61.1177.3000113.8L353 T354 C355 Q365 A368 L369 I372 R393 L397L353-L357 PolarHBondContact O-N 3.4Å; T354-L357 WeakPolarHBondContact O-CB 3.43Å; T354-L357 PolarHBondContact O-N 2.87Å; C355-L357 PolarHBondContact O-N 2.9Å; L357-Q365 HydrophobicContact CD2-CB 4.42Å; L357-Q365 PolarHBondContact O-NE2 3.27Å; L357-A368 HydrophobicContact CD2-CB 3.75Å; L357-L369 HydrophobicContact CD1-CD2 3.96Å; L357-L369 HydrophobicContact CD2-CD2 3.86Å; L357-L369 HydrophobicContact CD2-CG 3.75Å; L357-I372 HydrophobicContact CD1-CD1 3.92Å; L357-R393 HydrophobicContact CB-CG 3.76Å; L357-R393 HydrophobicContact CD1-CG 3.75Å; L357-R393 HydrophobicContact CG-CG 4.4Å; L357-R393 PolarHBondContact O-NE 3.33Å; L357-R393 PolarHBondContact O-NH2 2.69Å; L357-L397 HydrophobicContact CB-CD1 4.22Å; L357-L397 HydrophobicContact CD1-CD1 4.09Å; L357-L397 HydrophobicContact CD2-CD1 4.27Å; L357-L397 HydrophobicContact CG-CD1 4.43Å
358R88.5Confident93Very high161 Ų16138.6 Ų38.661%0.60822%0.222SC*.SBendtrans-104.8129.5178.7-173.6-174.6-76.3176-2.7110.7C355 T360C355-R358 PolarHBondContact O-N 3Å; R358-T360 PolarHBondContact O-N 2.83Å; R358-T360 VanDerWaalsContact O-N 3.11Å
359G79.4Confident93.2Very high85 Ų8537.8 Ų37.888%0.87622%0.217SC*.SBendtrans68.15.6171.300000117.1
360T88.3Confident93.2Very high46 Ų4638.3 Ų38.328%0.28222%0.22SC..SBendtrans-97.4165.8-177.853.10000112.9H356 R358 T364 Q365H356-T360 WeakPolarHBondContact O-CG2 3.4Å; H356-T360 PolarHBondContact O-OG1 3Å; R358-T360 PolarHBondContact O-N 2.83Å; R358-T360 VanDerWaalsContact O-N 3.11Å; T360-T364 HydrophobicContact CG2-CG2 4.17Å; T360-Q365 PolarHBondContact O-NE2 3.36Å; T360-Q365 WeakPolarHBondContact OG1-CG 3.24Å
361S92.4Very high93.3Very high67 Ų6738.3 Ų38.347%0.46922%0.22SC..  trans-62.8151.1175.883.30000112.5C363 T364 Q365S361-C363 PolarHBondContact O-N 3.37Å; S361-T364 WeakPolarHBondContact O-CA 3.36Å; S361-T364 VanDerWaalsContact O-CB 3.31Å; S361-T364 WeakPolarHBondContact O-CB 3.11Å; S361-T364 PolarHBondContact O-N 3.16Å; S361-T364 PolarHBondContact OG-N 2.86Å; S361-T364 PolarHBondContact OG-OG1 3.36Å; S361-Q365 WeakPolarHBondContact O-CG 3.44Å; S361-Q365 PolarHBondContact O-N 3.39Å
362E93.6Very high93.4Very high123 Ų12335 Ų3558%0.57521%0.205SC*.Hα-helixtrans-54.7-37.1177.6-60.7-168148.500112.9Q365 L366 V405E362-Q365 PolarHBondContact O-N 3.45Å; E362-L366 WeakPolarHBondContact O-CB 3.35Å; E362-L366 WeakPolarHBondContact O-CD1 3.42Å; E362-L366 VanDerWaalsContact O-CG 3.23Å; E362-L366 WeakPolarHBondContact O-CG 3.34Å; E362-L366 PolarHBondContact O-N 2.9Å; E362-V405 HydrophobicContact CB-CG2 4.04Å; E362-V405 HydrophobicContact CG-CG2 4.29Å
363C93.5Very high93.5Very high37 Ų3736 Ų3625%0.2522%0.215CC..Hα-helixtrans-64.1-44.8176-172.20000111.6S361 L366 R367S361-C363 PolarHBondContact O-N 3.37Å; C363-L366 PolarHBondContact O-N 3.46Å; C363-R367 WeakPolarHBondContact O-CG 3.43Å; C363-R367 PolarHBondContact O-N 3.21Å
364T94.5Very high93.6Very high32 Ų3237.1 Ų37.120%0.19622%0.222CC..Hα-helixtrans-59.6-45.7174-46.10000111.1T360 S361 R367 A368T360-T364 HydrophobicContact CG2-CG2 4.17Å; S361-T364 WeakPolarHBondContact O-CA 3.36Å; S361-T364 VanDerWaalsContact O-CB 3.31Å; S361-T364 WeakPolarHBondContact O-CB 3.11Å; S361-T364 PolarHBondContact O-N 3.16Å; S361-T364 PolarHBondContact OG-N 2.86Å; S361-T364 PolarHBondContact OG-OG1 3.36Å; T364-R367 PolarHBondContact O-N 2.71Å; T364-A368 WeakPolarHBondContact O-CB 3.46Å; T364-A368 PolarHBondContact O-N 2.92Å
365Q95.2Very high93.7Very high26 Ų2636 Ų3612%0.12122%0.215CC..Hα-helixtrans-62.3-45.1177.8-66.7177.7-18.700111.5L357 T360 S361 E362 R367 A368 L369 V405L357-Q365 HydrophobicContact CD2-CB 4.42Å; L357-Q365 PolarHBondContact O-NE2 3.27Å; T360-Q365 PolarHBondContact O-NE2 3.36Å; T360-Q365 WeakPolarHBondContact OG1-CG 3.24Å; S361-Q365 WeakPolarHBondContact O-CG 3.44Å; S361-Q365 PolarHBondContact O-N 3.39Å; E362-Q365 PolarHBondContact O-N 3.45Å; Q365-R367 PolarHBondContact O-N 3.45Å; Q365-A368 PolarHBondContact O-N 3.14Å; Q365-L369 WeakPolarHBondContact O-CB 3.33Å; Q365-L369 VanDerWaalsContact O-CG 3.26Å; Q365-L369 WeakPolarHBondContact O-CG 3.27Å; Q365-L369 PolarHBondContact O-N 3.25Å; Q365-V405 HydrophobicContact CB-CG1 4.16Å; Q365-V405 HydrophobicContact CB-CG2 4.19Å
366L96.8Very high93.8Very high16 Ų1633.6 Ų33.68%0.08420%0.2CC..Hα-helixtrans-64.3-39.6178-73.5164.5000112.3A327 E362 C363 L369 C370 P404 V405 K408A327-L366 HydrophobicContact CB-CB 3.79Å; A327-L366 HydrophobicContact CB-CD1 3.62Å; A327-L366 HydrophobicContact CB-CG 4.32Å; A327-L366 CarbonylContact O-C 3.57Å; A327-L366 VanDerWaalsContact O-C 3.29Å; A327-L366 WeakPolarHBondContact O-CB 3.48Å; E362-L366 WeakPolarHBondContact O-CB 3.35Å; E362-L366 WeakPolarHBondContact O-CD1 3.42Å; E362-L366 VanDerWaalsContact O-CG 3.23Å; E362-L366 WeakPolarHBondContact O-CG 3.34Å; E362-L366 PolarHBondContact O-N 2.9Å; C363-L366 PolarHBondContact O-N 3.46Å; L366-L369 PolarHBondContact O-N 2.84Å; L366-C370 PolarHBondContact O-N 3.28Å; L366-C370 PolarHBondContact O-SG 3.27Å; L366-P404 HydrophobicContact CD1-CB 4Å; L366-P404 HydrophobicContact CD2-CB 4.22Å; L366-V405 HydrophobicContact CD1-CG2 4.44Å; L366-V405 HydrophobicContact CD2-CG2 4.29Å; L366-V405 HydrophobicContact CG-CG2 3.99Å; L366-K408 HydrophobicContact CD2-CB 4.11Å; L366-K408 HydrophobicContact CD2-CD 3.78Å
367R97.1Very high93.9Very high2 Ų236 Ų361%0.00822%0.222CC..Hα-helixtrans-67.1-41.5173.7-70.4-18071.787.6-8.9112V321 T322 R323 R326 A327 F328 L329 E333 C363 T364 Q365 C370 A371V321-R367 PolarHBondContact O-NE 2.72Å; V321-R367 PolarHBondContact O-NH2 3.37Å; V321-R367 VanDerWaalsContact O-NH2 3.09Å; T322-R367 WeakPolarHBondContact O-CD 3.33Å; R323-R367 VanDerWaalsContact O-CZ 3.3Å; R323-R367 PolarHBondContact O-NE 2.9Å; R323-R367 PolarHBondContact O-NH2 2.85Å; R326-R367 WeakPolarHBondContact O-CD 3.03Å; R326-R367 VanDerWaalsContact O-CG 3.26Å; R326-R367 WeakPolarHBondContact O-CG 3.46Å; R326-R367 PolarHBondContact O-NH1 3.3Å; A327-R367 PolarHBondContact O-N 2.94Å; F328-R367 PolarHBondContact O-NH1 3.01Å; L329-R367 HydrophobicContact CD2-CB 4.34Å; L329-R367 HydrophobicContact CD2-CG 4.37Å; E333-R367 IonicContact OE1-CZ 3.65Å; E333-R367 IonicContact OE1-NH1 3.42Å; E333-R367 PolarHBondContact OE1-NH1 3.07Å; E333-R367 IonicContact OE1-NH2 3.79Å; E333-R367 PolarHBondContact OE1-NH2 3.37Å; E333-R367 IonicContact OE2-NH1 3.24Å; C363-R367 WeakPolarHBondContact O-CG 3.43Å; C363-R367 PolarHBondContact O-N 3.21Å; T364-R367 PolarHBondContact O-N 2.71Å; Q365-R367 PolarHBondContact O-N 3.45Å; R367-C370 WeakPolarHBondContact O-CA 3.38Å; R367-C370 WeakPolarHBondContact O-CB 3.33Å; R367-C370 PolarHBondContact O-N 3.08Å; R367-A371 PolarHBondContact O-N 3.46Å
368A97.1Very high93.9Very high0 Ų037.3 Ų37.30%023%0.232CC..Hα-helixtrans-61.4-45.8173.200000111.8T322 L353 L357 T364 Q365 C370 A371 I372T322-A368 HydrophobicContact CG2-CB 3.82Å; L353-A368 HydrophobicContact CD2-CB 4.1Å; L357-A368 HydrophobicContact CD2-CB 3.75Å; T364-A368 WeakPolarHBondContact O-CB 3.46Å; T364-A368 PolarHBondContact O-N 2.92Å; Q365-A368 PolarHBondContact O-N 3.14Å; A368-C370 PolarHBondContact O-N 3.44Å; A368-A371 PolarHBondContact O-N 3.23Å; A368-A371 VanDerWaalsContact O-N 3.16Å; A368-I372 WeakPolarHBondContact O-CG1 3.32Å; A368-I372 PolarHBondContact O-N 3.07Å
369L97.3Very high94Very high0 Ų036.8 Ų36.80%024%0.242CC..Hα-helixtrans-63.4-25172-69.8175.8000112.6L357 Q365 L366 A373 L394 L397 V405 K408 A409 I412L357-L369 HydrophobicContact CD1-CD2 3.96Å; L357-L369 HydrophobicContact CD2-CD2 3.86Å; L357-L369 HydrophobicContact CD2-CG 3.75Å; Q365-L369 WeakPolarHBondContact O-CB 3.33Å; Q365-L369 VanDerWaalsContact O-CG 3.26Å; Q365-L369 WeakPolarHBondContact O-CG 3.27Å; Q365-L369 PolarHBondContact O-N 3.25Å; L366-L369 PolarHBondContact O-N 2.84Å; L369-A373 WeakPolarHBondContact O-CB 3.26Å; L369-A373 PolarHBondContact O-N 3.36Å; L369-L394 HydrophobicContact CD2-CD2 3.5Å; L369-L394 VanDerWaalsContact CD2-CD2 3.5Å; L369-L397 HydrophobicContact CD1-CD1 4.46Å; L369-L397 HydrophobicContact CD2-CD1 4.38Å; L369-V405 HydrophobicContact CD1-CG1 3.99Å; L369-K408 HydrophobicContact CB-CD 4.02Å; L369-K408 HydrophobicContact CB-CG 4.24Å; L369-K408 HydrophobicContact CD1-CB 4.12Å; L369-K408 HydrophobicContact CD1-CG 4.33Å; L369-K408 PolarHBondContact O-NZ 3.49Å; L369-A409 HydrophobicContact CD1-CB 4.19Å; L369-A409 HydrophobicContact CD2-CB 4.34Å; L369-I412 HydrophobicContact CB-CD1 3.82Å; L369-I412 HydrophobicContact CD2-CD1 4.01Å; L369-I412 HydrophobicContact CG-CD1 4.43Å; L369-I412 WeakPolarHBondContact O-CD1 3.39Å
370C96.9Very high94.6Very high12 Ų1235.8 Ų35.88%0.08122%0.216CC..Hα-helixtrans-72.3-47.7169.9-68.30000111.2L329 L366 R367 A368 I372 A373 S374 K408L329-C370 HydrophobicContact CB-CB 4.39Å; L329-C370 HydrophobicContact CD1-CB 3.71Å; L329-C370 HydrophobicContact CG-CB 3.62Å; L366-C370 PolarHBondContact O-N 3.28Å; L366-C370 PolarHBondContact O-SG 3.27Å; R367-C370 WeakPolarHBondContact O-CA 3.38Å; R367-C370 WeakPolarHBondContact O-CB 3.33Å; R367-C370 PolarHBondContact O-N 3.08Å; A368-C370 PolarHBondContact O-N 3.44Å; C370-I372 VanDerWaalsContact C-N 3.35Å; C370-I372 PolarHBondContact O-N 3.47Å; C370-A373 PolarHBondContact O-N 2.96Å; C370-S374 WeakPolarHBondContact O-CB 3.38Å; C370-S374 PolarHBondContact O-N 2.73Å; C370-S374 PolarHBondContact O-OG 3.4Å; C370-K408 WeakPolarHBondContact SG-CE 3.48Å; C370-K408 PolarHBondContact SG-NZ 3.43Å; C370-K408 VanDerWaalsContact SG-NZ 3.37Å
371A97.4Very high94.9Very high0 Ų034.5 Ų34.50%021%0.207CC..Hα-helixtrans-59.4-42.7177.500000112.3V321 L329 F337 L353 R367 A368 S374 L375V321-A371 HydrophobicContact CG1-CB 4.01Å; V321-A371 HydrophobicContact CG2-CB 4.1Å; L329-A371 HydrophobicContact CD1-CB 4.3Å; F337-A371 HydrophobicContact CD1-CB 4.28Å; F337-A371 HydrophobicContact CE1-CB 3.85Å; F337-A371 WeakPolarHBondContact CE1-O 3.14Å; F337-A371 HydrophobicContact CE2-CB 4.14Å; F337-A371 HydrophobicContact CZ-CB 3.78Å; L353-A371 HydrophobicContact CD1-CB 3.79Å; L353-A371 HydrophobicContact CD2-CB 3.72Å; L353-A371 HydrophobicContact CG-CB 4.45Å; R367-A371 PolarHBondContact O-N 3.46Å; A368-A371 PolarHBondContact O-N 3.23Å; A368-A371 VanDerWaalsContact O-N 3.16Å; A371-S374 PolarHBondContact O-N 3.26Å; A371-L375 WeakPolarHBondContact O-CB 3.44Å; A371-L375 PolarHBondContact O-N 3.49Å
372I96.9Very high94.9Very high0 Ų035.4 Ų35.40%021%0.211CC..Hα-helixtrans-60.2-45.9174.1-67.8167.7000111.4L350 L353 L357 A368 C370 L375 G376 T390 I412 F416L350-I372 HydrophobicContact CD1-CG1 4.17Å; L350-I372 HydrophobicContact CD1-CG2 4.46Å; L353-I372 HydrophobicContact CB-CD1 4.19Å; L353-I372 HydrophobicContact CB-CG1 3.97Å; L353-I372 HydrophobicContact CD1-CG1 4.15Å; L357-I372 HydrophobicContact CD1-CD1 3.92Å; A368-I372 WeakPolarHBondContact O-CG1 3.32Å; A368-I372 PolarHBondContact O-N 3.07Å; C370-I372 VanDerWaalsContact C-N 3.35Å; C370-I372 PolarHBondContact O-N 3.47Å; I372-L375 PolarHBondContact O-N 3.01Å; I372-G376 PolarHBondContact O-N 2.74Å; I372-T390 HydrophobicContact CD1-CG2 4.47Å; I372-T390 HydrophobicContact CG2-CG2 4Å; I372-I412 HydrophobicContact CG2-CG2 4.34Å; I372-F416 HydrophobicContact CG2-CE2 4Å; I372-F416 HydrophobicContact CG2-CZ 4.2Å
373A96.6Very high94.8Very high30 Ų3031.5 Ų31.525%0.24819%0.193CC..Hα-helixtrans-65.3-39.6177.800000112.3L369 C370 S377 I412L369-A373 WeakPolarHBondContact O-CB 3.26Å; L369-A373 PolarHBondContact O-N 3.36Å; C370-A373 PolarHBondContact O-N 2.96Å; A373-S377 PolarHBondContact O-N 3Å; A373-S377 PolarHBondContact O-OG 2.79Å; A373-I412 HydrophobicContact CB-CD1 4.16Å; A373-I412 HydrophobicContact CB-CG1 4.1Å
374S96.7Very high94.8Very high22 Ų2236.3 Ų36.315%0.15421%0.212CC..Hα-helixtrans-64.3-43.2174.6-67.50000111.8C370 A371 S377 A378C370-S374 WeakPolarHBondContact O-CB 3.38Å; C370-S374 PolarHBondContact O-N 2.73Å; C370-S374 PolarHBondContact O-OG 3.4Å; A371-S374 PolarHBondContact O-N 3.26Å; S374-S377 WeakPolarHBondContact CA-OG 3.35Å; S374-S377 PolarHBondContact O-N 3.37Å; S374-S377 VanDerWaalsContact O-N 3.08Å; S374-S377 PolarHBondContact O-OG 3.22Å; S374-A378 PolarHBondContact O-N 2.89Å
375L96Very high94.7Very high0 Ų036.5 Ų36.50%021%0.211CC..Hα-helixtrans-62.6-44.1176.7-171.361.5000111.9F337 C341 L350 A371 I372 S377 A378 L380 L381F337-L375 HydrophobicContact CE1-CB 4.24Å; C341-L375 HydrophobicContact CB-CD1 4.18Å; L350-L375 HydrophobicContact CB-CD2 4.2Å; L350-L375 HydrophobicContact CD1-CD2 4.29Å; A371-L375 WeakPolarHBondContact O-CB 3.44Å; A371-L375 PolarHBondContact O-N 3.49Å; I372-L375 PolarHBondContact O-N 3.01Å; L375-S377 PolarHBondContact O-N 2.89Å; L375-S377 VanDerWaalsContact O-N 3.09Å; L375-A378 PolarHBondContact O-N 2.98Å; L375-L380 HydrophobicContact CD1-CB 4.09Å; L375-L380 HydrophobicContact CD1-CD1 3.98Å; L375-L381 HydrophobicContact CD2-CD1 4.46Å
376G93.9Very high94.7Very high7 Ų735.3 Ų35.37%0.07221%0.205CC..THydrogen-bonded Turntrans-69.74.317300000115.6I372 Q383I372-G376 PolarHBondContact O-N 2.74Å; G376-Q383 PolarHBondContact O-NE2 2.68Å; G376-Q383 PolarHBondContact O-OE1 2.98Å
377S91.7Very high94.6Very high90 Ų9034.7 Ų34.763%0.62920%0.202SC*.THydrogen-bonded Turntrans-115.81.1170.568.60000113.3A373 S374 L375A373-S377 PolarHBondContact O-N 3Å; A373-S377 PolarHBondContact O-OG 2.79Å; S374-S377 WeakPolarHBondContact CA-OG 3.35Å; S374-S377 PolarHBondContact O-N 3.37Å; S374-S377 VanDerWaalsContact O-N 3.08Å; S374-S377 PolarHBondContact O-OG 3.22Å; L375-S377 PolarHBondContact O-N 2.89Å; L375-S377 VanDerWaalsContact O-N 3.09Å
378A91.7Very high94.4Very high27 Ų2739.8 Ų39.822%0.22323%0.229CC..THydrogen-bonded Turntrans-108.3-2.1-17100000114.8I338 S374 L375 L380I338-A378 HydrophobicContact CB-CB 4.5Å; I338-A378 HydrophobicContact CD1-CB 4.06Å; I338-A378 HydrophobicContact CG1-CB 4Å; I338-A378 HydrophobicContact CG2-CB 3.69Å; S374-A378 PolarHBondContact O-N 2.89Å; L375-A378 PolarHBondContact O-N 2.98Å; A378-L380 HydrophobicContact CB-CD1 4.34Å; A378-L380 HydrophobicContact CB-CG 4.09Å; A378-L380 PolarHBondContact O-N 3.35Å; A378-L380 VanDerWaalsContact O-N 3.08Å
379D90.3Very high94.2Very high151 Ų15146.8 Ų46.881%0.80726%0.255SS*.THydrogen-bonded Turntrans55.122.6179.7-149.429.2000115.3
380L93.2Very high94.1Very high64 Ų6446.9 Ų46.934%0.33526%0.255SS..SBendtrans-80.9-16.4177.5-61.4-178.4000113.4I338 C341 L375 A378I338-L380 HydrophobicContact CG2-CD1 4.21Å; C341-L380 HydrophobicContact CB-CD1 3.65Å; L375-L380 HydrophobicContact CD1-CB 4.09Å; L375-L380 HydrophobicContact CD1-CD1 3.98Å; A378-L380 HydrophobicContact CB-CD1 4.34Å; A378-L380 HydrophobicContact CB-CG 4.09Å; A378-L380 PolarHBondContact O-N 3.35Å; A378-L380 VanDerWaalsContact O-N 3.08Å
381L93.4Very high94Very high19 Ų1949.2 Ų49.210%0.09926%0.263CS..SBendtrans-143.8146172.6-70176.5000108.5C346 E347 L350 L375 Q383 I386C346-L381 HydrophobicContact CB-CD1 3.83Å; C346-L381 HydrophobicContact CB-CD2 3.95Å; C346-L381 HydrophobicContact CB-CG 3.73Å; E347-L381 HydrophobicContact CG-CD1 4.48Å; E347-L381 HydrophobicContact CG-CD2 3.92Å; L350-L381 HydrophobicContact CD2-CD1 4.13Å; L375-L381 HydrophobicContact CD2-CD1 4.46Å; L381-Q383 PolarHBondContact O-N 2.97Å; L381-I386 HydrophobicContact CB-CD1 3.96Å; L381-I386 HydrophobicContact CB-CG1 3.74Å; L381-I386 HydrophobicContact CD1-CG1 4.3Å
382P92.8Very high93.9Very high85 Ų8553.3 Ų53.355%0.55229%0.289SS*.  trans-57.1133.6174.3-24.734.4000111.9E384 H385 I386P382-E384 PolarHBondContact O-N 3.47Å; P382-E384 VanDerWaalsContact O-N 3.14Å; P382-H385 HydrophobicContact CB-CB 4.47Å; P382-H385 WeakPolarHBondContact O-CA 3.29Å; P382-H385 WeakPolarHBondContact O-CB 3.37Å; P382-H385 PolarHBondContact O-N 3.37Å; P382-I386 PolarHBondContact O-N 3.14Å; P382-I386 VanDerWaalsContact O-N 3.09Å
383Q92.7Very high93.8Very high41 Ų4154.7 Ų54.719%0.19229%0.294CS..Hα-helixtrans-56.7-34.5-176.3-164.777-65.100112.6G376 L381 H385 I386 L387 F416G376-Q383 PolarHBondContact O-NE2 2.68Å; G376-Q383 PolarHBondContact O-OE1 2.98Å; L381-Q383 PolarHBondContact O-N 2.97Å; Q383-H385 VanDerWaalsContact C-N 3.34Å; Q383-H385 PolarHBondContact O-N 2.76Å; Q383-I386 PolarHBondContact O-N 2.9Å; Q383-L387 VanDerWaalsContact O-CB 3.28Å; Q383-L387 WeakPolarHBondContact O-CB 3.35Å; Q383-L387 PolarHBondContact O-N 3.09Å; Q383-F416 HydrophobicContact CG-CD1 4.31Å
384E92.9Very high93.7Very high138 Ų13853.2 Ų53.265%0.64528%0.282SS*.Hα-helixtrans-60.7-39.7174-66.3-179.7-167.600112.8P382 L388 C420P382-E384 PolarHBondContact O-N 3.47Å; P382-E384 VanDerWaalsContact O-N 3.14Å; E384-L388 VanDerWaalsContact O-CB 3.27Å; E384-L388 WeakPolarHBondContact O-CB 3.48Å; E384-L388 PolarHBondContact O-N 2.86Å; E384-C420 HydrophobicContact CG-CB 4.12Å
385H92.3Very high93.7Very high37 Ų3755.3 Ų55.317%0.17129%0.29CS..Hα-helixtrans-72.8-41177.9-175.1-128.9000111.2E347 P382 Q383 L387 L388 R389E347-H385 VanDerWaalsContact CD-CE1 3.48Å; E347-H385 IonicContact OE1-CE1 2.68Å; E347-H385 PolarHBondContact OE1-CE1 3.49Å; E347-H385 VanDerWaalsContact OE1-CE1 3.22Å; E347-H385 IonicContact OE1-ND1 3.26Å; P382-H385 HydrophobicContact CB-CB 4.47Å; P382-H385 WeakPolarHBondContact O-CA 3.29Å; P382-H385 WeakPolarHBondContact O-CB 3.37Å; P382-H385 PolarHBondContact O-N 3.37Å; Q383-H385 VanDerWaalsContact C-N 3.34Å; Q383-H385 PolarHBondContact O-N 2.76Å; H385-L387 VanDerWaalsContact C-N 3.31Å; H385-L387 PolarHBondContact O-N 3.38Å; H385-L388 PolarHBondContact O-N 3.01Å; H385-R389 PolarHBondContact NE2-NE 2.92Å; H385-R389 VanDerWaalsContact NE2-NE 3.11Å; H385-R389 WeakPolarHBondContact O-CG 3.16Å; H385-R389 PolarHBondContact O-N 3.4Å
386I94.9Very high93.6Very high0 Ų060.3 Ų60.30%031%0.313CS..Hα-helixtrans-59.1-46.5173.7-58.2177000110L350 L381 P382 Q383 T390 F416L350-I386 HydrophobicContact CD1-CG2 4.35Å; L350-I386 HydrophobicContact CD2-CB 4.25Å; L350-I386 HydrophobicContact CD2-CG1 4.23Å; L350-I386 HydrophobicContact CD2-CG2 4.12Å; L381-I386 HydrophobicContact CB-CD1 3.96Å; L381-I386 HydrophobicContact CB-CG1 3.74Å; L381-I386 HydrophobicContact CD1-CG1 4.3Å; P382-I386 PolarHBondContact O-N 3.14Å; P382-I386 VanDerWaalsContact O-N 3.09Å; Q383-I386 PolarHBondContact O-N 2.9Å; I386-T390 HydrophobicContact CG2-CG2 4.49Å; I386-T390 WeakPolarHBondContact O-CB 3.35Å; I386-T390 WeakPolarHBondContact O-CG2 3.48Å; I386-T390 PolarHBondContact O-N 3.3Å; I386-T390 PolarHBondContact O-OG1 2.68Å; I386-F416 HydrophobicContact CG2-CD2 4.27Å; I386-F416 HydrophobicContact CG2-CE2 3.57Å; I386-F416 HydrophobicContact CG2-CZ 3.82Å
387L94.6Very high93.7Very high3 Ų360.7 Ų60.72%0.01631%0.313CS..Hα-helixtrans-62.3-46.7175.617954.9000111.7Q383 H385 R389 T390 R391 L413 F416 E417 C420Q383-L387 VanDerWaalsContact O-CB 3.28Å; Q383-L387 WeakPolarHBondContact O-CB 3.35Å; Q383-L387 PolarHBondContact O-N 3.09Å; H385-L387 VanDerWaalsContact C-N 3.31Å; H385-L387 PolarHBondContact O-N 3.38Å; L387-R389 PolarHBondContact O-N 3.16Å; L387-T390 PolarHBondContact O-N 2.92Å; L387-R391 HydrophobicContact CD1-CB 4.13Å; L387-R391 VanDerWaalsContact CD2-NH2 3.32Å; L387-R391 WeakPolarHBondContact O-CA 3.36Å; L387-R391 WeakPolarHBondContact O-CB 3.26Å; L387-R391 PolarHBondContact O-N 3.06Å; L387-L413 HydrophobicContact CD1-CD1 3.95Å; L387-F416 HydrophobicContact CB-CB 4.12Å; L387-F416 HydrophobicContact CD1-CB 3.85Å; L387-F416 HydrophobicContact CD2-CB 4.34Å; L387-F416 HydrophobicContact CG-CB 4.3Å; L387-E417 HydrophobicContact CD1-CG 4.29Å; L387-E417 HydrophobicContact CD2-CG 4.33Å; L387-C420 HydrophobicContact CD2-CB 4.12Å
388L94.1Very high93.8Very high110 Ų11058.3 Ų58.358%0.57630%0.296SS*.Hα-helixtrans-58.1-45.2179.7-178.961.8000112.1E384 H385E384-L388 VanDerWaalsContact O-CB 3.27Å; E384-L388 WeakPolarHBondContact O-CB 3.48Å; E384-L388 PolarHBondContact O-N 2.86Å; H385-L388 PolarHBondContact O-N 3.01Å
389R92Very high93.9Very high147 Ų14765 Ų6556%0.55533%0.325SS*.Hα-helixtrans-71.8-38.4179.6-64.9-63.9-175.2-178.94.8113.1L350 H385 L387L350-R389 HydrophobicContact CD2-CB 4Å; L350-R389 HydrophobicContact CD2-CG 4.42Å; H385-R389 PolarHBondContact NE2-NE 2.92Å; H385-R389 VanDerWaalsContact NE2-NE 3.11Å; H385-R389 WeakPolarHBondContact O-CG 3.16Å; H385-R389 PolarHBondContact O-N 3.4Å; L387-R389 PolarHBondContact O-N 3.16Å
390T95.3Very high93.9Very high1 Ų159.8 Ų59.81%0.00631%0.307CS..Hα-helixtrans-90.8-25.2-174.158.30000114.6L350 I372 I386 L387 P392 R393 L394L350-T390 HydrophobicContact CD1-CG2 3.58Å; L350-T390 HydrophobicContact CD2-CG2 4.45Å; L350-T390 HydrophobicContact CG-CG2 4.21Å; I372-T390 HydrophobicContact CD1-CG2 4.47Å; I372-T390 HydrophobicContact CG2-CG2 4Å; I386-T390 HydrophobicContact CG2-CG2 4.49Å; I386-T390 WeakPolarHBondContact O-CB 3.35Å; I386-T390 WeakPolarHBondContact O-CG2 3.48Å; I386-T390 PolarHBondContact O-N 3.3Å; I386-T390 PolarHBondContact O-OG1 2.68Å; L387-T390 PolarHBondContact O-N 2.92Å; T390-P392 VanDerWaalsContact C-CD 3.5Å; T390-R393 PolarHBondContact O-N 3.26Å; T390-L394 WeakPolarHBondContact O-CG 3.42Å; T390-L394 PolarHBondContact O-N 3.24Å; T390-L394 WeakPolarHBondContact OG1-CD1 3.39Å
391R95Very high93.8Very high62 Ų6261.4 Ų61.423%0.23432%0.324CS..Hα-helixtrans-47.3-49.5-174.3172.6-174-72.2121.3-14.5113.7L387 R393 L394 Q395 L413L387-R391 HydrophobicContact CD1-CB 4.13Å; L387-R391 VanDerWaalsContact CD2-NH2 3.32Å; L387-R391 WeakPolarHBondContact O-CA 3.36Å; L387-R391 WeakPolarHBondContact O-CB 3.26Å; L387-R391 PolarHBondContact O-N 3.06Å; R391-R393 PolarHBondContact O-N 2.78Å; R391-L394 PolarHBondContact O-N 2.58Å; R391-Q395 VanDerWaalsContact CG-CD 3.49Å; R391-Q395 HydrophobicContact CG-CG 4.14Å; R391-Q395 VanDerWaalsContact O-CB 3.29Å; R391-Q395 WeakPolarHBondContact O-CB 3.39Å; R391-Q395 VanDerWaalsContact O-CG 3.27Å; R391-Q395 WeakPolarHBondContact O-CG 3.44Å; R391-Q395 PolarHBondContact O-N 2.88Å; R391-L413 HydrophobicContact CB-CD1 4.47Å; R391-L413 HydrophobicContact CG-CD1 4.28Å
392P94.8Very high93.9Very high85 Ų8566.8 Ų66.855%0.55236%0.36SS*.Hα-helixtrans-60.2-44.9-176.3-23.534.5000112.5T390 Q395 E396T390-P392 VanDerWaalsContact C-CD 3.5Å; P392-Q395 PolarHBondContact O-N 3.42Å; P392-E396 WeakPolarHBondContact O-CB 3.39Å; P392-E396 PolarHBondContact O-N 2.83Å
393R94.3Very high94Very high29 Ų2963.6 Ų63.611%0.10934%0.342CS..Hα-helixtrans-75.4-34.6-178.9-168.269.3-163.8163.314112.5T354 L357 T390 R391 E396 L397T354-R393 HydrophobicContact CG2-CB 3.71Å; T354-R393 HydrophobicContact CG2-CG 4.08Å; L357-R393 HydrophobicContact CB-CG 3.76Å; L357-R393 HydrophobicContact CD1-CG 3.75Å; L357-R393 HydrophobicContact CG-CG 4.4Å; L357-R393 PolarHBondContact O-NE 3.33Å; L357-R393 PolarHBondContact O-NH2 2.69Å; T390-R393 PolarHBondContact O-N 3.26Å; R391-R393 PolarHBondContact O-N 2.78Å; R393-E396 IonicContact CZ-OE1 3.33Å; R393-E396 IonicContact CZ-OE2 3.43Å; R393-E396 IonicContact NE-OE2 3.85Å; R393-E396 IonicContact NH1-OE1 2.64Å; R393-E396 PolarHBondContact NH1-OE1 3.2Å; R393-E396 IonicContact NH1-OE2 2.65Å; R393-E396 PolarHBondContact NH1-OE2 2.97Å; R393-E396 IonicContact NH2-OE1 3.53Å; R393-L397 WeakPolarHBondContact O-CB 3.39Å; R393-L397 WeakPolarHBondContact O-CG 3.34Å; R393-L397 PolarHBondContact O-N 2.88Å
394L95.9Very high94.1Very high0 Ų065.3 Ų65.30%036%0.357CS..Hα-helixtrans-68.1-36.7173.5-68.8177.1000111.9L369 T390 R391 S398 A409 I412 L413 F416L369-L394 HydrophobicContact CD2-CD2 3.5Å; L369-L394 VanDerWaalsContact CD2-CD2 3.5Å; T390-L394 WeakPolarHBondContact O-CG 3.42Å; T390-L394 PolarHBondContact O-N 3.24Å; T390-L394 WeakPolarHBondContact OG1-CD1 3.39Å; R391-L394 PolarHBondContact O-N 2.58Å; L394-S398 WeakPolarHBondContact O-CB 3.26Å; L394-S398 PolarHBondContact O-N 2.96Å; L394-S398 PolarHBondContact O-OG 3.18Å; L394-A409 HydrophobicContact CD2-CB 3.97Å; L394-I412 HydrophobicContact CD1-CB 4.46Å; L394-I412 HydrophobicContact CD1-CG2 3.82Å; L394-I412 HydrophobicContact CD2-CG2 4.44Å; L394-L413 HydrophobicContact CB-CB 4.22Å; L394-L413 HydrophobicContact CB-CD1 4.38Å; L394-L413 HydrophobicContact CD1-CB 4.43Å; L394-F416 HydrophobicContact CD1-CD2 4.45Å
395Q96.2Very high94.2Very high66 Ų6659.1 Ų59.131%0.30833%0.329SS..Hα-helixtrans-66.1-48.9174.2-77.1176.1-21.900111.2R391 P392 L397 S398 M399 L413R391-Q395 VanDerWaalsContact CG-CD 3.49Å; R391-Q395 HydrophobicContact CG-CG 4.14Å; R391-Q395 VanDerWaalsContact O-CB 3.29Å; R391-Q395 WeakPolarHBondContact O-CB 3.39Å; R391-Q395 VanDerWaalsContact O-CG 3.27Å; R391-Q395 WeakPolarHBondContact O-CG 3.44Å; R391-Q395 PolarHBondContact O-N 2.88Å; P392-Q395 PolarHBondContact O-N 3.42Å; Q395-L397 VanDerWaalsContact C-N 3.33Å; Q395-L397 PolarHBondContact O-N 3.36Å; Q395-S398 WeakPolarHBondContact CA-OG 3.27Å; Q395-S398 PolarHBondContact O-N 3.03Å; Q395-S398 PolarHBondContact O-OG 3.31Å; Q395-M399 WeakPolarHBondContact O-CG 3.29Å; Q395-M399 PolarHBondContact O-N 2.89Å; Q395-L413 HydrophobicContact CG-CD1 4.36Å; Q395-L413 HydrophobicContact CG-CD2 3.58Å
396E94.8Very high94.4Very high104 Ų10458.1 Ų58.149%0.48633%0.325SS..Hα-helixtrans-53.6-48.3174.3-169.8-164.1146.400111.7P392 R393 S398 M399 G400P392-E396 WeakPolarHBondContact O-CB 3.39Å; P392-E396 PolarHBondContact O-N 2.83Å; R393-E396 IonicContact CZ-OE1 3.33Å; R393-E396 IonicContact CZ-OE2 3.43Å; R393-E396 IonicContact NE-OE2 3.85Å; R393-E396 IonicContact NH1-OE1 2.64Å; R393-E396 PolarHBondContact NH1-OE1 3.2Å; R393-E396 IonicContact NH1-OE2 2.65Å; R393-E396 PolarHBondContact NH1-OE2 2.97Å; R393-E396 IonicContact NH2-OE1 3.53Å; E396-S398 PolarHBondContact O-N 3.02Å; E396-M399 PolarHBondContact O-N 3.42Å; E396-G400 PolarHBondContact O-N 3.3Å
397L94.5Very high94.5Very high16 Ų1662.7 Ų62.78%0.08435%0.35CS..Hα-helixtrans-66.2-32.7175.3-71179.1000113.1L357 L369 R393 Q395 M399 G400 V405 T406 A409L357-L397 HydrophobicContact CB-CD1 4.22Å; L357-L397 HydrophobicContact CD1-CD1 4.09Å; L357-L397 HydrophobicContact CD2-CD1 4.27Å; L357-L397 HydrophobicContact CG-CD1 4.43Å; L369-L397 HydrophobicContact CD1-CD1 4.46Å; L369-L397 HydrophobicContact CD2-CD1 4.38Å; R393-L397 WeakPolarHBondContact O-CB 3.39Å; R393-L397 WeakPolarHBondContact O-CG 3.34Å; R393-L397 PolarHBondContact O-N 2.88Å; Q395-L397 VanDerWaalsContact C-N 3.33Å; Q395-L397 PolarHBondContact O-N 3.36Å; L397-M399 VanDerWaalsContact C-N 3.28Å; L397-M399 PolarHBondContact O-N 3.45Å; L397-G400 PolarHBondContact O-N 3.36Å; L397-V405 HydrophobicContact CD1-CG1 4.13Å; L397-V405 HydrophobicContact CD2-CG1 4.05Å; L397-T406 WeakPolarHBondContact O-CA 3.45Å; L397-T406 WeakPolarHBondContact O-CB 3.29Å; L397-T406 WeakPolarHBondContact O-CG2 3.43Å; L397-A409 HydrophobicContact CB-CB 3.59Å; L397-A409 HydrophobicContact CD1-CB 4.17Å
398S94.8Very high94.6Very high39 Ų3964.3 Ų64.327%0.27336%0.357SS..Hα-helixtrans-70.6-23.317773.10000113.7L394 Q395 E396 T410L394-S398 WeakPolarHBondContact O-CB 3.26Å; L394-S398 PolarHBondContact O-N 2.96Å; L394-S398 PolarHBondContact O-OG 3.18Å; Q395-S398 WeakPolarHBondContact CA-OG 3.27Å; Q395-S398 PolarHBondContact O-N 3.03Å; Q395-S398 PolarHBondContact O-OG 3.31Å; E396-S398 PolarHBondContact O-N 3.02Å; S398-T410 VanDerWaalsContact CB-OG1 3.25Å; S398-T410 WeakPolarHBondContact CB-OG1 3.34Å
399M93.5Very high94.8Very high168 Ų16859.1 Ų59.183%0.82833%0.329SS*.THydrogen-bonded Turntrans-91.7-1.1177.6-66.7178.964.600113.4Q395 E396 L397Q395-M399 WeakPolarHBondContact O-CG 3.29Å; Q395-M399 PolarHBondContact O-N 2.89Å; E396-M399 PolarHBondContact O-N 3.42Å; L397-M399 VanDerWaalsContact C-N 3.28Å; L397-M399 PolarHBondContact O-N 3.45Å
400G90.9Very high95Very high42 Ų4254.4 Ų54.443%0.43332%0.317SS..SBendtrans-73.3-173.6175.500000113.9E396 L397E396-G400 PolarHBondContact O-N 3.3Å; L397-G400 PolarHBondContact O-N 3.36Å
401S91.1Very high95.1Very high97 Ų9761.8 Ų61.868%0.67835%0.349SS*.  trans-60.9146.6176.7460000112.4G403 T406S401-G403 PolarHBondContact O-N 2.89Å; S401-G403 VanDerWaalsContact O-N 3.14Å; S401-T406 WeakPolarHBondContact O-CB 3.33Å; S401-T406 WeakPolarHBondContact O-CG2 3.21Å; S401-T406 PolarHBondContact O-OG1 3.03Å
402P94Very high95.2Very high132 Ų13259.2 Ų59.286%0.85734%0.34SS*.SBendtrans-60.2117.9176.4-24.534.8000111.8
403G95Very high95.3Very high18 Ų1855.4 Ų55.419%0.18632%0.315CS..SBendtrans-171.5179.6-175.300000113.2S401 V405 T406 N407S401-G403 PolarHBondContact O-N 2.89Å; S401-G403 VanDerWaalsContact O-N 3.14Å; G403-V405 PolarHBondContact O-N 3.26Å; G403-T406 PolarHBondContact N-OG1 3.49Å; G403-T406 PolarHBondContact O-N 3.02Å; G403-T406 PolarHBondContact O-OG1 2.64Å; G403-N407 VanDerWaalsContact O-CB 3.3Å; G403-N407 WeakPolarHBondContact O-CB 3.46Å; G403-N407 PolarHBondContact O-N 3.19Å; G403-N407 PolarHBondContact O-ND2 3.45Å
404P95.6Very high95.4Very high78 Ų7861.3 Ų61.351%0.50634%0.337SS..Hα-helixtrans-62.1-42.5-175.7-24.635.4000113.1L366 K408L366-P404 HydrophobicContact CD1-CB 4Å; L366-P404 HydrophobicContact CD2-CB 4.22Å; P404-K408 VanDerWaalsContact O-CB 3.29Å; P404-K408 WeakPolarHBondContact O-CB 3.44Å; P404-K408 PolarHBondContact O-N 3.38Å
405V95.8Very high95.4Very high7 Ų765.7 Ų65.74%0.04236%0.358CS..Hα-helixtrans-62.1-49.7179.3179.50000110.6E362 Q365 L366 L369 L397 G403 K408 A409E362-V405 HydrophobicContact CB-CG2 4.04Å; E362-V405 HydrophobicContact CG-CG2 4.29Å; Q365-V405 HydrophobicContact CB-CG1 4.16Å; Q365-V405 HydrophobicContact CB-CG2 4.19Å; L366-V405 HydrophobicContact CD1-CG2 4.44Å; L366-V405 HydrophobicContact CD2-CG2 4.29Å; L366-V405 HydrophobicContact CG-CG2 3.99Å; L369-V405 HydrophobicContact CD1-CG1 3.99Å; L397-V405 HydrophobicContact CD1-CG1 4.13Å; L397-V405 HydrophobicContact CD2-CG1 4.05Å; G403-V405 PolarHBondContact O-N 3.26Å; V405-K408 PolarHBondContact O-N 3.17Å; V405-K408 VanDerWaalsContact O-N 3.16Å; V405-A409 WeakPolarHBondContact O-CB 3.39Å; V405-A409 PolarHBondContact O-N 2.83Å
406T96.3Very high95.3Very high17 Ų1762.6 Ų62.610%0.10434%0.343CS..Hα-helixtrans-71.4-39.5-173.563.30000111.6L397 S401 G403 K408 T410L397-T406 WeakPolarHBondContact O-CA 3.45Å; L397-T406 WeakPolarHBondContact O-CB 3.29Å; L397-T406 WeakPolarHBondContact O-CG2 3.43Å; S401-T406 WeakPolarHBondContact O-CB 3.33Å; S401-T406 WeakPolarHBondContact O-CG2 3.21Å; S401-T406 PolarHBondContact O-OG1 3.03Å; G403-T406 PolarHBondContact N-OG1 3.49Å; G403-T406 PolarHBondContact O-N 3.02Å; G403-T406 PolarHBondContact O-OG1 2.64Å; T406-K408 VanDerWaalsContact C-N 3.33Å; T406-K408 PolarHBondContact O-N 3.02Å; T406-T410 WeakPolarHBondContact O-CB 3.31Å; T406-T410 PolarHBondContact O-N 2.88Å; T406-T410 PolarHBondContact O-OG1 3.38Å
407N97Very high95.2Very high96 Ų9659.1 Ų59.151%0.51333%0.327SS..Hα-helixtrans-59-41.3168-80.7-59000112.4G403 K411G403-N407 VanDerWaalsContact O-CB 3.3Å; G403-N407 WeakPolarHBondContact O-CB 3.46Å; G403-N407 PolarHBondContact O-N 3.19Å; G403-N407 PolarHBondContact O-ND2 3.45Å; N407-K411 WeakPolarHBondContact O-CG 3Å; N407-K411 PolarHBondContact O-N 2.96Å; N407-K411 VanDerWaalsContact O-N 3.1Å
408K96.8Very high95.2Very high37 Ų3762.2 Ų62.216%0.16135%0.354CS..Hα-helixtrans-73-43.1-178.7-167.5170.5-160.4-68.70112.2L366 L369 C370 P404 V405 T406 T410 K411 I412L366-K408 HydrophobicContact CD2-CB 4.11Å; L366-K408 HydrophobicContact CD2-CD 3.78Å; L369-K408 HydrophobicContact CB-CD 4.02Å; L369-K408 HydrophobicContact CB-CG 4.24Å; L369-K408 HydrophobicContact CD1-CB 4.12Å; L369-K408 HydrophobicContact CD1-CG 4.33Å; L369-K408 PolarHBondContact O-NZ 3.49Å; C370-K408 WeakPolarHBondContact SG-CE 3.48Å; C370-K408 PolarHBondContact SG-NZ 3.43Å; C370-K408 VanDerWaalsContact SG-NZ 3.37Å; P404-K408 VanDerWaalsContact O-CB 3.29Å; P404-K408 WeakPolarHBondContact O-CB 3.44Å; P404-K408 PolarHBondContact O-N 3.38Å; V405-K408 PolarHBondContact O-N 3.17Å; V405-K408 VanDerWaalsContact O-N 3.16Å; T406-K408 VanDerWaalsContact C-N 3.33Å; T406-K408 PolarHBondContact O-N 3.02Å; K408-T410 VanDerWaalsContact C-N 3.35Å; K408-K411 PolarHBondContact O-N 3.49Å; K408-I412 HydrophobicContact CG-CD1 4.06Å; K408-I412 WeakPolarHBondContact O-CD1 3.44Å; K408-I412 VanDerWaalsContact O-CG1 3.32Å; K408-I412 WeakPolarHBondContact O-CG1 3.12Å; K408-I412 PolarHBondContact O-N 3.2Å; K408-I412 VanDerWaalsContact O-N 3.07Å
409A97Very high94.9Very high0 Ų063.5 Ų63.50%036%0.364CS..Hα-helixtrans-59.3-45.8174.200000111.3L369 L394 L397 V405 K411 I412 L413L369-A409 HydrophobicContact CD1-CB 4.19Å; L369-A409 HydrophobicContact CD2-CB 4.34Å; L394-A409 HydrophobicContact CD2-CB 3.97Å; L397-A409 HydrophobicContact CB-CB 3.59Å; L397-A409 HydrophobicContact CD1-CB 4.17Å; V405-A409 WeakPolarHBondContact O-CB 3.39Å; V405-A409 PolarHBondContact O-N 2.83Å; A409-K411 PolarHBondContact O-N 3.47Å; A409-I412 PolarHBondContact O-N 3.32Å; A409-L413 WeakPolarHBondContact O-CB 3.23Å; A409-L413 PolarHBondContact O-N 2.99Å
410T97.1Very high94.4Very high48 Ų4857 Ų5729%0.29433%0.334SS..Hα-helixtrans-57.7-46.2175.2-54.90000112.1S398 T406 K408 I412 L413 R414S398-T410 VanDerWaalsContact CB-OG1 3.25Å; S398-T410 WeakPolarHBondContact CB-OG1 3.34Å; T406-T410 WeakPolarHBondContact O-CB 3.31Å; T406-T410 PolarHBondContact O-N 2.88Å; T406-T410 PolarHBondContact O-OG1 3.38Å; K408-T410 VanDerWaalsContact C-N 3.35Å; T410-I412 PolarHBondContact O-N 3.31Å; T410-L413 PolarHBondContact O-N 3.35Å; T410-R414 HydrophobicContact CG2-CG 4.45Å; T410-R414 WeakPolarHBondContact O-CG 3.37Å; T410-R414 PolarHBondContact O-N 3.49Å
411K97.6Very high93.4Very high156 Ų15656.9 Ų56.968%0.67833%0.333SS*.Hα-helixtrans-62.9-39.7178.4-76.1178.1179-175.40112.9N407 K408 A409 H415N407-K411 WeakPolarHBondContact O-CG 3Å; N407-K411 PolarHBondContact O-N 2.96Å; N407-K411 VanDerWaalsContact O-N 3.1Å; K408-K411 PolarHBondContact O-N 3.49Å; A409-K411 PolarHBondContact O-N 3.47Å; K411-H415 WeakPolarHBondContact O-CB 3.5Å; K411-H415 PolarHBondContact O-N 3.17Å
412I96.6Very high91.5Very high9 Ų961 Ų615%0.04634%0.341CS..Hα-helixtrans-67.6-47.5177.9-65.8161.4000110.4L369 I372 A373 L394 K408 A409 T410 R414 H415 F416L369-I412 HydrophobicContact CB-CD1 3.82Å; L369-I412 HydrophobicContact CD2-CD1 4.01Å; L369-I412 HydrophobicContact CG-CD1 4.43Å; L369-I412 WeakPolarHBondContact O-CD1 3.39Å; I372-I412 HydrophobicContact CG2-CG2 4.34Å; A373-I412 HydrophobicContact CB-CD1 4.16Å; A373-I412 HydrophobicContact CB-CG1 4.1Å; L394-I412 HydrophobicContact CD1-CB 4.46Å; L394-I412 HydrophobicContact CD1-CG2 3.82Å; L394-I412 HydrophobicContact CD2-CG2 4.44Å; K408-I412 HydrophobicContact CG-CD1 4.06Å; K408-I412 WeakPolarHBondContact O-CD1 3.44Å; K408-I412 VanDerWaalsContact O-CG1 3.32Å; K408-I412 WeakPolarHBondContact O-CG1 3.12Å; K408-I412 PolarHBondContact O-N 3.2Å; K408-I412 VanDerWaalsContact O-N 3.07Å; A409-I412 PolarHBondContact O-N 3.32Å; T410-I412 PolarHBondContact O-N 3.31Å; I412-R414 PolarHBondContact O-N 2.94Å; I412-H415 PolarHBondContact O-N 3.36Å; I412-F416 HydrophobicContact CG2-CD2 3.82Å; I412-F416 HydrophobicContact CG2-CE1 4.28Å; I412-F416 HydrophobicContact CG2-CE2 3.4Å; I412-F416 HydrophobicContact CG2-CG 4.44Å; I412-F416 HydrophobicContact CG2-CZ 3.67Å; I412-F416 WeakPolarHBondContact O-CG 3.4Å; I412-F416 PolarHBondContact O-N 2.84Å
413L96.3Very high89.2Confident5 Ų561.6 Ų61.63%0.02634%0.337CS..Hα-helixtrans-56-49.7177.2-179.463.4000111.3L387 R391 L394 Q395 A409 T410 H415 F416 E417L387-L413 HydrophobicContact CD1-CD1 3.95Å; R391-L413 HydrophobicContact CB-CD1 4.47Å; R391-L413 HydrophobicContact CG-CD1 4.28Å; L394-L413 HydrophobicContact CB-CB 4.22Å; L394-L413 HydrophobicContact CB-CD1 4.38Å; L394-L413 HydrophobicContact CD1-CB 4.43Å; Q395-L413 HydrophobicContact CG-CD1 4.36Å; Q395-L413 HydrophobicContact CG-CD2 3.58Å; A409-L413 WeakPolarHBondContact O-CB 3.23Å; A409-L413 PolarHBondContact O-N 2.99Å; T410-L413 PolarHBondContact O-N 3.35Å; L413-H415 PolarHBondContact O-N 2.99Å; L413-F416 PolarHBondContact O-N 3.37Å; L413-E417 HydrophobicContact CD1-CG 4.24Å; L413-E417 HydrophobicContact CG-CG 4.45Å; L413-E417 WeakPolarHBondContact O-CB 3.47Å; L413-E417 VanDerWaalsContact O-CG 3.26Å; L413-E417 WeakPolarHBondContact O-CG 3.34Å; L413-E417 PolarHBondContact O-N 3.43Å
414R96.2Very high86.2Confident152 Ų15264.6 Ų64.657%0.57436%0.355SS*.Hα-helixtrans-65.8-33.8178.6-65.5-57.9-178-154.90.8113.4T410 I412 E417 A418T410-R414 HydrophobicContact CG2-CG 4.45Å; T410-R414 WeakPolarHBondContact O-CG 3.37Å; T410-R414 PolarHBondContact O-N 3.49Å; I412-R414 PolarHBondContact O-N 2.94Å; R414-E417 WeakPolarHBondContact CD-OE2 3.46Å; R414-E417 IonicContact CZ-OE2 3.63Å; R414-E417 IonicContact NE-OE2 3.88Å; R414-E417 IonicContact NH1-OE1 3.8Å; R414-E417 IonicContact NH1-OE2 2.68Å; R414-E417 PolarHBondContact NH1-OE2 3.26Å; R414-A418 VanDerWaalsContact O-CB 3.29Å; R414-A418 WeakPolarHBondContact O-CB 3.25Å; R414-A418 PolarHBondContact O-N 3.44Å
415H95.3Very high83.6Confident93 Ų9365.5 Ų65.543%0.43136%0.361SS..Hα-helixtrans-64.4-50.7173.8172.735.5000111.2K411 I412 L413 A418 S419K411-H415 WeakPolarHBondContact O-CB 3.5Å; K411-H415 PolarHBondContact O-N 3.17Å; I412-H415 PolarHBondContact O-N 3.36Å; L413-H415 PolarHBondContact O-N 2.99Å; H415-A418 PolarHBondContact O-N 3.1Å; H415-S419 PolarHBondContact O-N 2.84Å; H415-S419 PolarHBondContact O-OG 2.68Å
416F94.6Very high80.3Confident0 Ų070 Ų700%040%0.399CS..Hα-helixtrans-65.1-42.4179.8-66.3-13.4000112.1I372 Q383 I386 L387 L394 I412 L413 A418 S419 C420I372-F416 HydrophobicContact CG2-CE2 4Å; I372-F416 HydrophobicContact CG2-CZ 4.2Å; Q383-F416 HydrophobicContact CG-CD1 4.31Å; I386-F416 HydrophobicContact CG2-CD2 4.27Å; I386-F416 HydrophobicContact CG2-CE2 3.57Å; I386-F416 HydrophobicContact CG2-CZ 3.82Å; L387-F416 HydrophobicContact CB-CB 4.12Å; L387-F416 HydrophobicContact CD1-CB 3.85Å; L387-F416 HydrophobicContact CD2-CB 4.34Å; L387-F416 HydrophobicContact CG-CB 4.3Å; L394-F416 HydrophobicContact CD1-CD2 4.45Å; I412-F416 HydrophobicContact CG2-CD2 3.82Å; I412-F416 HydrophobicContact CG2-CE1 4.28Å; I412-F416 HydrophobicContact CG2-CE2 3.4Å; I412-F416 HydrophobicContact CG2-CG 4.44Å; I412-F416 HydrophobicContact CG2-CZ 3.67Å; I412-F416 WeakPolarHBondContact O-CG 3.4Å; I412-F416 PolarHBondContact O-N 2.84Å; L413-F416 PolarHBondContact O-N 3.37Å; F416-A418 VanDerWaalsContact C-N 3.33Å; F416-A418 PolarHBondContact O-N 3.07Å; F416-S419 PolarHBondContact O-N 3.3Å; F416-C420 PolarHBondContact O-N 2.93Å; F416-C420 PolarHBondContact O-SG 3.46Å
417E94Very high77.1Confident32 Ų3280.5 Ų80.515%0.1544%0.436CS..Hα-helixtrans-59.3-40.1173.3-74.9174.2166.700112.3L387 L413 R414L387-E417 HydrophobicContact CD1-CG 4.29Å; L387-E417 HydrophobicContact CD2-CG 4.33Å; L413-E417 HydrophobicContact CD1-CG 4.24Å; L413-E417 HydrophobicContact CG-CG 4.45Å; L413-E417 WeakPolarHBondContact O-CB 3.47Å; L413-E417 VanDerWaalsContact O-CG 3.26Å; L413-E417 WeakPolarHBondContact O-CG 3.34Å; L413-E417 PolarHBondContact O-N 3.43Å; R414-E417 WeakPolarHBondContact CD-OE2 3.46Å; R414-E417 IonicContact CZ-OE2 3.63Å; R414-E417 IonicContact NE-OE2 3.88Å; R414-E417 IonicContact NH1-OE1 3.8Å; R414-E417 IonicContact NH1-OE2 2.68Å; R414-E417 PolarHBondContact NH1-OE2 3.26Å
418A93.1Very high73.9Confident80 Ų8079.2 Ų79.266%0.66145%0.446SS*.Hα-helixtrans-68.7-39.5175.800000112.3R414 H415 F416 C420 G421R414-A418 VanDerWaalsContact O-CB 3.29Å; R414-A418 WeakPolarHBondContact O-CB 3.25Å; R414-A418 PolarHBondContact O-N 3.44Å; H415-A418 PolarHBondContact O-N 3.1Å; F416-A418 VanDerWaalsContact C-N 3.33Å; F416-A418 PolarHBondContact O-N 3.07Å; A418-C420 PolarHBondContact O-N 3.09Å; A418-G421 PolarHBondContact O-N 3.1Å
419S88.3Confident70.6Confident67 Ų6784 Ų8447%0.46948%0.478SS..Hα-helixtrans-68-28.9178.9-71.70000114.2H415 F416H415-S419 PolarHBondContact O-N 2.84Å; H415-S419 PolarHBondContact O-OG 2.68Å; F416-S419 PolarHBondContact O-N 3.3Å
420C83.8Confident67.5Low31 Ų3190 Ų9021%0.20952%0.52CS..THydrogen-bonded Turntrans-88.80.5179.8-56.10000113.6E384 L387 F416 A418E384-C420 HydrophobicContact CG-CB 4.12Å; L387-C420 HydrophobicContact CD2-CB 4.12Å; F416-C420 PolarHBondContact O-N 2.93Å; F416-C420 PolarHBondContact O-SG 3.46Å; A418-C420 PolarHBondContact O-N 3.09Å
421G70.4Confident64.2Low40 Ų4091.7 Ų91.741%0.41254%0.54SS..  trans72166.3-167.300000113A418 L423A418-G421 PolarHBondContact O-N 3.1Å; G421-L423 VanDerWaalsContact C-N 3.33Å; G421-L423 PolarHBondContact O-N 2.99Å
422Q51.9Low61Low182 Ų18292.7 Ų92.785%0.8555%0.547SS*.  trans-76.575.7-171.2-70.5-170.12.900114S424Q422-S424 PolarHBondContact O-N 3.11Å
423L44Very low58Low146 Ų14697.9 Ų97.976%0.76458%0.581SS**  trans-72.468.3146.7-83168.7000109.3G421G421-L423 VanDerWaalsContact C-N 3.33Å; G421-L423 PolarHBondContact O-N 2.99Å
424S32.5Very low54.7Low81 Ų81100.5 Ų100.557%0.56661%0.609SS**PPolyproline II helixtrans-60.7122172.7-72.10000109.1Q422 A426Q422-S424 PolarHBondContact O-N 3.11Å; S424-A426 PolarHBondContact O-N 2.73Å
425P40.5Very low52Low97 Ų9799.7 Ų99.763%0.6362%0.623SS**PPolyproline II helixtrans-62.9133.2176.526.5-33.4000109.3R427P425-R427 PolarHBondContact O-N 3.2Å; P425-R427 VanDerWaalsContact O-N 3.09Å
426A26.6Very low48.8Very low101 Ų101102.1 Ų102.184%0.83565%0.645SS**PPolyproline II helixtrans-55.8119.4177.300000109.5S424 G428S424-A426 PolarHBondContact O-N 2.73Å; A426-G428 PolarHBondContact O-N 3.35Å
427R29.5Very low45.7Very low237 Ų237106.8 Ų106.889%0.89468%0.684SS**  trans-60109.2179.9178.1177.6178.9164-1.2108.6P425 T429P425-R427 PolarHBondContact O-N 3.2Å; P425-R427 VanDerWaalsContact O-N 3.09Å; R427-T429 PolarHBondContact O-N 3.37Å; R427-T429 VanDerWaalsContact O-N 3.1Å
428G28.9Very low42.6Very low69 Ų69109.9 Ų109.971%0.71171%0.714SS**  trans-53.6115.3-17200000112.6A426 S430A426-G428 PolarHBondContact O-N 3.35Å; G428-S430 PolarHBondContact O-N 2.81Å
429T27.5Very low39.9Very low137 Ų137114.3 Ų114.384%0.8473%0.726SS**  trans-77.375.1173.147.40000109.9R427 A431R427-T429 PolarHBondContact O-N 3.37Å; R427-T429 VanDerWaalsContact O-N 3.1Å; T429-A431 PolarHBondContact O-N 3.32Å
430S32.1Very low37.3Very low127 Ų127117 Ų11789%0.88874%0.742SS**  trans-69.684.2161.3177.10000108.6G428G428-S430 PolarHBondContact O-N 2.81Å
431A27.8Very low34.5Very low84 Ų84118.7 Ų118.769%0.69476%0.764SS**  trans-128.7100.1179.500000109.9T429T429-A431 PolarHBondContact O-N 3.32Å
432E30.3Very low33.1Very low177 Ų177123.1 Ų123.183%0.82779%0.786SS**  trans-61.6133.4173-105.8-79.1107.600111.4G434E432-G434 PolarHBondContact O-N 2.65Å; E432-G434 VanDerWaalsContact O-N 3.09Å
433P34Very low32.1Very low118 Ų118120.4 Ų120.477%0.76679%0.787SS**  trans-83.478.9177.933.4-33.7000112.3
434G26.7Very low31.4Very low60 Ų60120.8 Ų120.862%0.61979%0.79SS**PPolyproline II helixtrans-87.4151.6169.500000113.4E432E432-G434 PolarHBondContact O-N 2.65Å; E432-G434 VanDerWaalsContact O-N 3.09Å
435P39.7Very low31.5Very low134 Ų134124.7 Ų124.787%0.8780%0.804SS**PPolyproline II helixtrans-78.7152-159.329.8-36.6000116.2
436T29.6Very low31.1Very low145 Ų145127.8 Ų127.889%0.8981%0.814SS**PPolyproline II helixtrans-66.8130.5179.1-45.40000113.1
437A29.2Very low31.3Very low98 Ų98128.6 Ų128.681%0.8181%0.809SS**  trans-114152.2162.200000110
438A28.2Very low31.3Very low96 Ų96124.7 Ų124.779%0.79381%0.805SS**  trans-87.4157.3-157.100000116.3
439L35.8Very low31.3Very low173 Ų173126 Ų12691%0.90681%0.809SS**  trans-65.4144.2165.7-71.2161.5000111.9
440P33.4Very low31.5Very low125 Ų125125.7 Ų125.781%0.81281%0.807SS**  trans-130.4150.6130.336.8-28.2000110.9
441G25.7Very low32.2Very low65 Ų65124.7 Ų124.767%0.6780%0.798SS**  cis176.9156.9-500000108.8
442P40.3Very low32.3Very low134 Ų134128.9 Ų128.987%0.8781%0.808SS**  trans-83.4138.9179.533.2-33000111.7
443S31.4Very low32.3Very low125 Ų125125.4 Ų125.487%0.87481%0.809SS**  trans-146115.6168.7-690000109.9
444D30.1Very low32Very low154 Ų154122.8 Ų122.882%0.82480%0.803SS**  trans-151.6154.2157.7-152.1-12.3000109.9
445L34.4Very low32.1Very low163 Ų163125.3 Ų125.385%0.85381%0.811SS**  trans66.6145.7-175.2-59.6174.7000117.5
446L31.9Very low31.7Very low162 Ų162127 Ų12785%0.84881%0.808SS**  trans-130.4169.8-167.8-73167.2000111.4
447T31.5Very low31.6Very low118 Ų118126.1 Ų126.172%0.72480%0.797SS**  trans89.2111.4153.5-21.70000117.5
448D29.8Very low31.6Very low154 Ų154130 Ų13082%0.82480%0.796SS**  trans46.9147.8147.1-59.1-35000121.6
449A28.8Very low31.7Very low96 Ų96133.2 Ų133.279%0.79380%0.799SS**  cis-144.2166.119.900000115.6
450V31.9Very low31.5Very low131 Ų131133.4 Ų133.479%0.79480%0.795SS**  trans-76.9165.8170.7164.90000110.9
451P45.7Very low31.8Very low106 Ų106132.1 Ų132.169%0.68879%0.787SS**  cis-127.5172.2-4.133-14.4000116
452L29.5Very low32Very low173 Ų173136.4 Ų136.491%0.90679%0.793SS**  -162.2163.1113.7-134.568.1000112.3
453A30Very low31.5Very low103 Ų103134.7 Ų134.785%0.85179%0.785SS**  trans-134.9153.1-174.300000113
454G28.6Very low31.4Very low63 Ų63133.8 Ų133.865%0.64978%0.778SS**  trans160111.6173.800000109.1
455S28.1Very low31.3Very low113 Ų113132.7 Ų132.779%0.7978%0.778SS**  70.712971.873.30000113.6
456Q31.7Very low31Very low169 Ų169128.9 Ų128.979%0.7977%0.769SS**  cis-168.6-171.8-6.9-119.6-16342.500107.9
457L27.8Very low30.8Very low127 Ų127127.6 Ų127.667%0.66577%0.768SS**  trans85115.8157.5-46.6-174.9000119.9
458F29.4Very low30.5Very low179 Ų179127 Ų12779%0.78577%0.768SS**  38.5142.7129.2-56.1-71.8000121.4
459L29.9Very low30.2Very low164 Ų164124.5 Ų124.586%0.85976%0.762SS**  cis-140.8158.126.9-78.2169.6000114.1
460Q31.5Very low30.1Very low177 Ų177128.2 Ų128.283%0.82776%0.763SS**  trans-91.1-177.9158.7-121.9-169-10.800109.1
461P39.6Very low30Very low98 Ų98127.4 Ų127.464%0.63676%0.763SS**  cis-152.3176.534.645.9-25.1000118.9
462L30Very low29.9Very low155 Ų155128.5 Ų128.581%0.81277%0.77SS**  trans63.4150.9163.9-45.6-173.4000116.4
463S30.4Very low30Very low98 Ų98124.5 Ų124.569%0.68576%0.762SS**  cis-170.1161.9-14.3-105.10000108
464S28.4Very low31Very low106 Ų106125.1 Ų125.174%0.74176%0.758SS**  cis-158.7173.5-3.5-109.50000112.7
465T28.9Very low31.2Very low132 Ų132127.6 Ų127.681%0.8177%0.765SS**  trans-67.2176.5169.138.60000115.3
466A27.7Very low31.4Very low82 Ų82128.3 Ų128.368%0.67877%0.77SS**  cis-174.6142.5-24.600000109.3
467V27.5Very low31.1Very low135 Ų135123.3 Ų123.382%0.81876%0.764SS**  69.6140.395.1-172.10000117.9
468S26.4Very low31.5Very low105 Ų105126 Ų12673%0.73478%0.776SS**  trans79159.5160.2-84.70000121.1
469C23.3Very low32.7Very low103 Ų103122.7 Ų122.770%0.69677%0.772SS**  cis-177.9162.2-38.1-111.70000113
470Q26.8Very low33.7Very low174 Ų174120.1 Ų120.181%0.81377%0.765SS**  trans69.6119.4153.4-70171.2-100123.3
471S28.6Very low33.7Very low113 Ų113117.1 Ų117.179%0.7976%0.764SS**  19.5159122.9-50.50000122.3
472P44.4Very low34.4Very low129 Ų129117.8 Ų117.884%0.83877%0.768SS**  cis-143.9-160.227.542.8-20.5000117.6
473A30.1Very low34.5Very low90 Ų90116.8 Ų116.874%0.74477%0.768SS**  trans-117.6-163.6-178.700000111.4
474P51.9Low35.4Very low116 Ų116117.8 Ų117.875%0.75377%0.772SS**  cis-148-172.13.944.3-23.2000119.2
475S32.6Very low35.7Very low114 Ų114119 Ų11980%0.79778%0.775SS**  trans105.3154.9139.578.90000124.4
476S31.7Very low36.7Very low128 Ų128118.4 Ų118.490%0.89577%0.774SS**  trans82.1139174-153.20000119.4
477G26.7Very low38Very low65 Ų65119.8 Ų119.867%0.6778%0.776SS**  cis166.3104.7-16.400000119.2
478M34.8Very low39.1Very low184 Ų184119.3 Ų119.391%0.90678%0.775SS**  trans63.8176.2156.4-71-66.8168.100120.9
479P55.7Low39.3Very low109 Ų109122 Ų12271%0.70878%0.781SS**  -129.9-148.9-54.939.2-20.2000112.5
480P51.5Low39.5Very low110 Ų110122.1 Ų122.171%0.71479%0.79SS**  -131.6155.8-5631.9-11.3000119
481S30.7Very low40Very low114 Ų114119.2 Ų119.280%0.79779%0.788SS**  trans69.4-176.1143.3-51.40000122.2
482P53.8Low40.9Very low111 Ų111119.7 Ų119.772%0.72179%0.789SS**  -139.7163.2-8844.6-26.9000120.5
483V31.8Very low40.3Very low135 Ų135120.9 Ų120.982%0.81879%0.787SS**  trans38.2125.6136.9177.10000120.9
484P49.4Very low40.6Very low119 Ų119122.3 Ų122.377%0.77379%0.789SS**  -157.3-154.277.644.6-22.5000117.7
485T35.2Very low39.5Very low132 Ų132121.2 Ų121.281%0.8179%0.789SS**  trans-134.4-158.2176.866.80000110.9
486P49.8Very low39.3Very low119 Ų119127.9 Ų127.977%0.77380%0.797SS**  cis-142-123.52848.2-22.2000115.7
487P56.1Low39Very low111 Ų111125.6 Ų125.672%0.72179%0.793SS**  trans-128-166.7-155.740.8-15.8000117.2
488P49Very low39Very low124 Ų124129.6 Ų129.681%0.80580%0.799SS**  -155.7-170.898.742.6-22.5000117.7
489D31.5Very low39.8Very low162 Ų162126.1 Ų126.187%0.86679%0.79SS**  trans-87.4164.1-170.9-51.8-92.9000119
490A27.6Very low38.5Very low105 Ų105126.9 Ų126.987%0.86880%0.799SS**  trans-177.5161.713500000114.1
491S36.4Very low37.4Very low113 Ų113131.3 Ų131.379%0.7981%0.807SS**  trans-131.9170.2174.873.50000111.5
492P47.3Very low37.4Very low124 Ų124130.9 Ų130.981%0.80581%0.81SS**  -154.4-166.777.541.5-19.4000116.8
493I33.8Very low36.2Very low154 Ų154135.5 Ų135.579%0.7982%0.819SS**  trans-99.2159.7-177-20.7177.6000112.2
494P35.8Very low36Very low120 Ų120133.3 Ų133.378%0.77982%0.815SS**  -145.9179.1101.339.3-25.3000112.7
495A27.7Very low35Very low93 Ų93138.3 Ų138.377%0.76982%0.818SS**  cis174.3158.9-30.300000105.4
496R29.6Very low34.7Very low254 Ų254139.2 Ų139.296%0.95882%0.817SS**  trans-55.1155-168.1-73.3177.8166.3-168.3-4.7117.8
497G24.5Very low33.6Very low79 Ų79137.8 Ų137.881%0.81482%0.816SS**  trans-142.3148.2150.800000110.8
498D28.1Very low32.1Very low150 Ų150140.3 Ų140.380%0.80282%0.818SS**  trans-152.1-175.6-173.5-160.421.2000109.8
499P51.3Low31.2Very low110 Ų110139 Ų13971%0.71481%0.812SS**  -95.4169-93.535.2-25.4000114.9
500S27.1Very low31Very low126 Ų126141.2 Ų141.288%0.88181%0.808SS**  trans-147.1161.9165.4-162.20000114.9
501K29.5Very low30.8Very low203 Ų203139.9 Ų139.988%0.88380%0.804SS**  trans-86145.8-158.7-60.3158.7179.91660114.5
502A29.5Very low30.3Very low105 Ų105146.6 Ų146.687%0.86881%0.812SS**  trans-137.2158.2152.200000110.1
503K28.9Very low29.3Very low208 Ų208143.6 Ų143.690%0.90480%0.804SS**  trans-151.9113.9-157.9178.4-173.4176.1-178.10115.4
504A28.9Very low29.5Very low89 Ų89142.3 Ų142.374%0.73681%0.806SS**  trans-152.4127.3159.800000107.5
505R28.4Very low29Very low224 Ų224144.6 Ų144.685%0.84581%0.806SS**  56.7122.774.7-68.2-174.1-173.9-97.39.7111.7
506L27.9Very low29Very low150 Ų150147.6 Ų147.679%0.78580%0.804SS**  cis-145.1172.8-1.8-85.7146.9000106.4
507A26.9Very low28.9Very low90 Ų90141.9 Ų141.974%0.74480%0.797SS**  cis-151.7-171.425.200000113
508E25.1Very low29.1Very low163 Ų163146.4 Ų146.476%0.76280%0.802SS**  trans-66.3161.1177.2-73.9161.6102.400113
509S28.7Very low29Very low97 Ų97143.1 Ų143.168%0.67880%0.803SS**  cis-154.6138.744.5-168.60000116.6
510R28Very low27.8Very low208 Ų208141.7 Ų141.779%0.78581%0.808SS**  trans31111.1147.9-58.8172.4-161.8-112.9-7119.1
511G24.5Very low28.3Very low77 Ų77142.5 Ų142.579%0.79481%0.808SS**  trans-106.3167133.300000110.3
512W24.8Very low28.2Very low254 Ų254140.3 Ų140.396%0.96281%0.806SS**  trans-138.3144.9159.7-140-56.1000108.6
513G25.8Very low28.5Very low61 Ų61140.1 Ų140.163%0.62980%0.799SS**  trans-81.4-175.5-172.600000116
514P38.6Very low28.6Very low128 Ų128136.4 Ų136.483%0.83180%0.795SS**  trans-95.1154.4-173.337.1-34.2000113.5
515E25.6Very low28.7Very low167 Ų167141.8 Ų141.878%0.7880%0.802SS**  trans-158147150.1-113.2-168110.200113.9
516Q27.6Very low28.6Very low157 Ų157142.9 Ų142.973%0.73481%0.806SS**  trans48.2100.6155.2-53.1-162.446.700122.6
517V28Very low28.5Very low133 Ų133138.2 Ų138.281%0.80680%0.795SS**  31.7112.9121.2-172.90000119.5
518L27.7Very low28.7Very low175 Ų175139.3 Ų139.392%0.91679%0.794SS**  -151.7158.1122.4-138.774.1000110.3
519G26.6Very low28.9Very low80 Ų80136.3 Ų136.383%0.82579%0.791SS**  trans-87.5152.9-168.600000115.4
520G25.8Very low28.9Very low80 Ų80138.4 Ų138.483%0.82580%0.795SS**  trans-167.6130.5169.900000110.9
521T37.6Very low29.1Very low144 Ų144131.3 Ų131.388%0.88378%0.777SS**  trans-78.6123.1175.344.70000110.9
522D26.8Very low29.5Very low157 Ų157132.5 Ų132.584%0.8478%0.779SS**  trans-159.6157.7135.2-133.5-30.5000113.4
523S36Very low30.2Very low101 Ų101125.9 Ų125.971%0.70675%0.754SS**  trans-93.6124.6-179.9-66.70000111.8K525S523-K525 PolarHBondContact O-N 3.44Å
524P30.9Very low31Very low129 Ų129126.7 Ų126.784%0.83875%0.75SS**  trans-71.4107.4175.528.5-32.8000110.4R526P524-R526 PolarHBondContact O-N 2.64Å; P524-R526 VanDerWaalsContact O-N 3.15Å
525K30.5Very low31.4Very low203 Ų203132.3 Ų132.388%0.88376%0.755SS**  trans-52.3119.3169.8-72.8178.5177.5174.60109.8S523 G527S523-K525 PolarHBondContact O-N 3.44Å; K525-G527 PolarHBondContact O-N 2.99Å
526R27.8Very low32.7Very low246 Ų246128.6 Ų128.693%0.92874%0.74SS**  trans-63.5109.3166.2-179175.9-71.2-172.6-2107.9P524P524-R526 PolarHBondContact O-N 2.64Å; P524-R526 VanDerWaalsContact O-N 3.15Å
527G25.1Very low34.6Very low53 Ų53122.1 Ų122.155%0.54671%0.712SS.*  trans-61.5157.6176.600000112K525 S529K525-G527 PolarHBondContact O-N 2.99Å; G527-S529 PolarHBondContact O-N 3.17Å
528P31.7Very low36.4Very low112 Ų112116.2 Ų116.273%0.72768%0.676SS**  trans-63.7125.3-179.926.9-33.8000110.4N530P528-N530 PolarHBondContact O-N 3.36Å
529S29.4Very low38.1Very low100 Ų100108.2 Ų108.270%0.69963%0.634SS**  trans-70.297.2166.1-177.40000108G527 C531G527-S529 PolarHBondContact O-N 3.17Å; S529-C531 PolarHBondContact O-N 3.36Å
530N27.8Very low39.4Very low142 Ų142107.4 Ų107.476%0.75962%0.619SS**  trans-71.869.6176.5-79.9-10.9000110.9P528 A532P528-N530 PolarHBondContact O-N 3.36Å; N530-A532 PolarHBondContact O-N 2.84Å
531C32.9Very low40.5Very low59 Ų59107.8 Ų107.840%0.39962%0.623SS.*  trans-59.2104.8156.8-66.80000107S529 W533S529-C531 PolarHBondContact O-N 3.36Å; C531-W533 PolarHBondContact O-N 2.91Å
532A32.8Very low41Very low102 Ų102104.4 Ų104.484%0.84360%0.598SS**  trans-73.273.4-173.500000111.7N530N530-A532 PolarHBondContact O-N 2.84Å
533W39.7Very low42.2Very low115 Ų115105.5 Ų105.544%0.43660%0.598SS.*  trans-60135.6165.8-64.96.9000108.1C531C531-W533 PolarHBondContact O-N 2.91Å
534S42.3Very low42.8Very low78 Ų78103 Ų10355%0.54558%0.577SS.*  trans-61.9144.2179.5-150.50000109.7D536 S537S534-D536 WeakPolarHBondContact CB-OD2 3.35Å; S534-D536 PolarHBondContact O-N 3.46Å; S534-D536 PolarHBondContact OG-OD2 3.45Å; S534-S537 PolarHBondContact O-N 2.89Å
535R46.8Very low43.2Very low246 Ų246102.1 Ų102.193%0.92857%0.568SS**THydrogen-bonded Turntrans-61.2-10.4179.5-70179.261163.1-2.2113.1
536D52.6Low43.7Very low88 Ų8895.5 Ų95.547%0.47155%0.552SS.*THydrogen-bonded Turntrans-96.94.3-179-24.7-88.1000113.3R10 S534R10-D536 PolarHBondContact NH1-O 3.01Å; R10-D536 PolarHBondContact NH2-O 3.39Å; S534-D536 WeakPolarHBondContact CB-OD2 3.35Å; S534-D536 PolarHBondContact O-N 3.46Å; S534-D536 PolarHBondContact OG-OD2 3.45Å
537S67.1Low43.9Very low21 Ų2187.7 Ų87.715%0.14753%0.534CS..  trans-66.9141.5178.4-178.40000111.9E55 S534 F539 A540E55-S537 VanDerWaalsContact OE2-CA 3.31Å; E55-S537 WeakPolarHBondContact OE2-CA 3.3Å; E55-S537 VanDerWaalsContact OE2-CB 3.27Å; E55-S537 WeakPolarHBondContact OE2-CB 3.06Å; E55-S537 PolarHBondContact OE2-OG 3.37Å; S534-S537 PolarHBondContact O-N 2.89Å; S537-F539 PolarHBondContact O-N 3.03Å; S537-A540 PolarHBondContact O-N 3.06Å
538L65.9Low44.5Very low10 Ų1091 Ų915%0.05255%0.546CS..THydrogen-bonded Turntrans-60.1-24.5177.7-95.1-177.3000113.9R10 F13 L14 C52 E55 F590R10-L538 HydrophobicContact CB-CD1 3.95Å; R10-L538 HydrophobicContact CB-CD2 4.14Å; R10-L538 HydrophobicContact CB-CG 4.27Å; R10-L538 HydrophobicContact CG-CD1 3.99Å; R10-L538 HydrophobicContact CG-CD2 4.29Å; R10-L538 HydrophobicContact CG-CG 4.04Å; F13-L538 HydrophobicContact CD1-CD1 4.28Å; L14-L538 HydrophobicContact CD2-CD1 4.45Å; C52-L538 HydrophobicContact CB-CD1 4.37Å; E55-L538 PolarHBondContact OE2-N 3.47Å; L538-F590 HydrophobicContact CD2-CD1 4.37Å; L538-F590 HydrophobicContact CD2-CE1 4.15Å; L538-F590 HydrophobicContact CD2-CZ 4.43Å
539F63.6Low44.5Very low7 Ų796.2 Ų96.23%0.03155%0.551CS.*THydrogen-bonded Turntrans-104.16.8-172.2-52.3-67.4000113.4F13 L17 E55 Y56 S537 G541 M542 L544F13-F539 HydrophobicContact CD1-CZ 4.48Å; F13-F539 AromaticContact CE1-CZ 3.92Å; F13-F539 HydrophobicContact CE1-CZ 3.92Å; L17-F539 HydrophobicContact CD2-CE1 4.01Å; L17-F539 HydrophobicContact CD2-CZ 4.23Å; E55-F539 HydrophobicContact CB-CD2 4.36Å; E55-F539 HydrophobicContact CB-CE2 4.23Å; Y56-F539 AromaticContact CD2-CE1 3.96Å; Y56-F539 HydrophobicContact CD2-CE1 3.96Å; Y56-F539 HydrophobicContact CD2-CE2 4.35Å; Y56-F539 AromaticContact CD2-CZ 3.8Å; Y56-F539 HydrophobicContact CD2-CZ 3.8Å; Y56-F539 HydrophobicContact CG-CZ 4.37Å; S537-F539 PolarHBondContact O-N 3.03Å; F539-G541 PolarHBondContact O-N 2.7Å; F539-G541 VanDerWaalsContact O-N 3.08Å; F539-M542 HydrophobicContact CD1-SD 4.13Å; F539-M542 PolarHBondContact O-N 3.1Å; F539-L544 HydrophobicContact CB-CD1 4.45Å; F539-L544 HydrophobicContact CD1-CD1 4.03Å; F539-L544 HydrophobicContact CG-CD1 4.42Å
540A54.8Low44.6Very low63 Ų6399.7 Ų99.752%0.52156%0.561SS.*THydrogen-bonded Turntrans-61.1111.9177.500000110.8S537S537-A540 PolarHBondContact O-N 3.06Å
541G49.3Very low44.7Very low87 Ų8799.2 Ų99.290%0.89756%0.563SS**THydrogen-bonded Turntrans86.6-0.3-177.600000115.6F539 E543F539-G541 PolarHBondContact O-N 2.7Å; F539-G541 VanDerWaalsContact O-N 3.08Å; G541-E543 PolarHBondContact O-N 3.16Å
542M47.6Very low44.5Very low74 Ų7499.6 Ų99.637%0.36558%0.577SS.*  trans-87.2100.1174-65.2-172.875.300110.8F539 L544F539-M542 HydrophobicContact CD1-SD 4.13Å; F539-M542 PolarHBondContact O-N 3.1Å; M542-L544 HydrophobicContact CB-CD2 4.4Å; M542-L544 HydrophobicContact CB-CG 4.16Å; M542-L544 HydrophobicContact CE-CD2 4.18Å; M542-L544 PolarHBondContact O-N 3.02Å; M542-L544 VanDerWaalsContact O-N 3.12Å
543E51Low44.4Very low180 Ų18099.9 Ų99.984%0.84158%0.579SS**  trans-69.5105.6163.1-172.8172.3-137.400108.6G541 V545G541-E543 PolarHBondContact O-N 3.16Å; E543-V545 VanDerWaalsContact C-N 3.35Å; E543-V545 PolarHBondContact O-N 3.46Å
544L50.2Low43.8Very low48 Ų4898 Ų9825%0.25160%0.596SS.*  trans-86.679.2-170.3-74.3157000110.2R60 F539 M542 A546R60-L544 VanDerWaalsContact NH1-CD1 3.26Å; F539-L544 HydrophobicContact CB-CD1 4.45Å; F539-L544 HydrophobicContact CD1-CD1 4.03Å; F539-L544 HydrophobicContact CG-CD1 4.42Å; M542-L544 HydrophobicContact CB-CD2 4.4Å; M542-L544 HydrophobicContact CB-CG 4.16Å; M542-L544 HydrophobicContact CE-CD2 4.18Å; M542-L544 PolarHBondContact O-N 3.02Å; M542-L544 VanDerWaalsContact O-N 3.12Å; L544-A546 PolarHBondContact O-N 3.44Å
545V39Very low43.1Very low110 Ų11099.3 Ų99.367%0.66761%0.611SS**  trans-53.9104.4-173.4-175.50000112.6E543 C547E543-V545 VanDerWaalsContact C-N 3.35Å; E543-V545 PolarHBondContact O-N 3.46Å; V545-C547 HydrophobicContact CG1-CB 4.37Å
546A40Very low42.3Very low65 Ų6592.9 Ų92.954%0.53761%0.61SS.*  trans-92.2123.5153.600000108.3D26 L544D26-A546 HydrophobicContact CB-CB 3.83Å; L544-A546 PolarHBondContact O-N 3.44Å
547C33Very low41.2Very low82 Ų8293.8 Ų93.855%0.55463%0.631SS**  trans-131.1139.7170-84.20000107.2V545V545-C547 HydrophobicContact CG1-CB 4.37Å
548P37.6Very low39.4Very low123 Ų12396 Ų9680%0.79966%0.656SS**  -114.2137.985.833.3-34.4000113.4L550P548-L550 PolarHBondContact O-N 3.44Å
549R32.2Very low37.6Very low220 Ų220104.6 Ų104.683%0.8370%0.696SS**  trans-79.8109.8166.7-70.8-175.2177.2-173-1.5109V551R549-V551 PolarHBondContact O-N 2.71Å
550L29.7Very low35.8Very low174 Ų174109.9 Ų109.991%0.91173%0.734SS**  trans-71.7111.8167.8-162.277.5000108.7P548 G552P548-L550 PolarHBondContact O-N 3.44Å; L550-G552 PolarHBondContact O-N 2.99Å; L550-G552 VanDerWaalsContact O-N 3.16Å
551V30.2Very low34.5Very low132 Ų132111.9 Ų111.980%0.874%0.743SS**  trans-77.2101.7178.2177.40000109R549R549-V551 PolarHBondContact O-N 2.71Å
552G28.3Very low33.5Very low67 Ų67115 Ų11569%0.69174%0.739SS**  trans-67.1127.7168.800000110.7L550 G554L550-G552 PolarHBondContact O-N 2.99Å; L550-G552 VanDerWaalsContact O-N 3.16Å; G552-G554 PolarHBondContact O-N 3.02Å
553A31.5Very low32.5Very low107 Ų107118.2 Ų118.288%0.88476%0.757SS**  trans-73.2111.5179.900000111.3
554G26.6Very low31.6Very low77 Ų77113.3 Ų113.379%0.79475%0.747SS**PPolyproline II helixtrans-81.2125.5169.100000111.2G552G552-G554 PolarHBondContact O-N 3.02Å
555A27.6Very low31Very low105 Ų105117.2 Ų117.287%0.86878%0.776SS**PPolyproline II helixtrans-74157.7172.800000111.7
556A29.6Very low30.6Very low110 Ų110121 Ų12191%0.90979%0.786SS**PPolyproline II helixtrans-90.2127.2-165.200000115.2
557A30.2Very low30.4Very low108 Ų108122.5 Ų122.589%0.89380%0.798SS**  trans-172.5142.8148.400000107.5
558G29.4Very low30.6Very low67 Ų67124.6 Ų124.669%0.69181%0.811SS**  cis-176.5163.5-7.400000109.6
559E27.4Very low30.3Very low190 Ų190127.9 Ų127.989%0.88882%0.816SS**  trans54.8109160-58.9-176.7121.900120.7
560S26.3Very low30.1Very low118 Ų118124.5 Ų124.583%0.82582%0.819SS**  79.3154.5122.281.90000119.8
561C27.1Very low30.1Very low106 Ų106121.7 Ų121.772%0.71681%0.814SS**  cis-163.4146-36.8-145.40000109
562L29Very low30.2Very low152 Ų152121.1 Ų121.180%0.79682%0.817SS**  trans63.5164.2168.4-49.4176.5000115.1
563D27.2Very low30.4Very low141 Ų141126.5 Ų126.575%0.75482%0.824SS**  cis-144.9170.4-13.3-138-37.4000110.7
564A31.4Very low30.3Very low77 Ų77133.3 Ų133.364%0.63683%0.827SS**  trans-94.4159.5162.800000110.8
565P37.2Very low30.5Very low131 Ų131135.8 Ų135.885%0.85183%0.826SS**  -144.9178.8108.836-20.1000115
566Q30.9Very low30.7Very low190 Ų190134.8 Ų134.889%0.88882%0.818SS**  trans-81.5164.4-172.2-60.1176.1-55.500114.4
567A35.3Very low30.7Very low95 Ų95137 Ų13779%0.78582%0.82SS**  trans-79.2159163.900000112.5
568P37.8Very low30.9Very low127 Ų127141.1 Ų141.183%0.82582%0.818SS**  trans-106148155.935.6-28.3000112.3
569Q32.1Very low31.2Very low192 Ų192146.7 Ų146.790%0.89783%0.826SS**  trans-99146.9168.1-59.5177.6-0.400110.4
570T28Very low31.9Very low148 Ų148142.6 Ų142.691%0.90882%0.815SS**  trans-149.6138.2147.941.80000110.9
571S29.8Very low32.6Very low115 Ų115143 Ų14380%0.80482%0.816SS**  trans-84.3162.5179.659.60000113.4
572S31Very low33.1Very low121 Ų121141.3 Ų141.385%0.84682%0.816SS**  trans-152.7139.4141.2-161.20000110.3
573Q32.3Very low34.1Very low180 Ų180139.7 Ų139.784%0.84182%0.817SS**  trans-100.7148.8179.5-70.5178.7-41.800111.1
574R29.9Very low35.3Very low250 Ų250141.8 Ų141.894%0.94382%0.822SS**  trans-143.1119.2146.5-149.9174.5-165.1-174.74.5114
575T30.8Very low36.4Very low128 Ų128142.9 Ų142.979%0.78582%0.823SS**  trans-63.5155.7171.8-34.90000112.3
576A31.4Very low37.3Very low85 Ų85138.8 Ų138.870%0.70280%0.797SS**  cis-170.9152.9-38.800000108.5
577V30.6Very low38.1Very low155 Ų155134.7 Ų134.794%0.93980%0.796SS**  trans-137153.1153.31800000107.1
578K34.6Very low38.6Very low196 Ų196135.2 Ų135.285%0.85278%0.781SS**  trans-126.5117.4-161.2176.6-172.4176.1-175.40112.1
579E35.6Very low39Very low184 Ų184133.3 Ų133.386%0.8678%0.776SS**  trans-139.2168159.1-108.3-161.7141.100109.6
580P41.1Very low40.1Very low103 Ų103127.3 Ų127.367%0.66975%0.747SS**  trans-73.2155.9-15728.5-36.1000114.1G582P580-G582 PolarHBondContact O-N 3.43Å; P580-G582 VanDerWaalsContact O-N 3.08Å
581P41Very low40.9Very low128 Ų128125.1 Ų125.183%0.83173%0.729SS**  trans-65.4110.6169.528.6-33.1000109.3
582G38Very low42.5Very low70 Ų70123.4 Ų123.472%0.72271%0.711SS**PPolyproline II helixtrans-60.7137.7161.900000109.2P580P580-G582 PolarHBondContact O-N 3.43Å; P580-G582 VanDerWaalsContact O-N 3.08Å
583S50.6Low43.2Very low117 Ų117125.4 Ų125.482%0.81874%0.735SS**PPolyproline II helixtrans-51.4139.9179.6-52.90000111.4
584E52Low43.7Very low185 Ų185122.7 Ų122.786%0.86473%0.729SS**PPolyproline II helixtrans-55.8128.7168.2-66.2-174134.800108.9S586E584-S586 PolarHBondContact O-N 3.3Å
585P53.6Low44.5Very low101 Ų101115.9 Ų115.966%0.65672%0.718SS**PPolyproline II helixtrans-63.3128.2178.626-33.1000108.7N592P585-N592 WeakPolarHBondContact CA-OD1 3.41Å
586S56.7Low45.2Very low44 Ų44115.3 Ų115.331%0.30871%0.714SS.*PPolyproline II helixtrans-57.3142.3178.7-170.80000110.5E584 F588 N592E584-S586 PolarHBondContact O-N 3.3Å; S586-F588 CarbonylContact O-C 3.58Å; S586-F588 PolarHBondContact O-N 2.97Å; S586-F588 PolarHBondContact OG-N 3Å; S586-N592 PolarHBondContact N-ND2 2.83Å; S586-N592 PolarHBondContact N-OD1 3.09Å; S586-N592 PolarHBondContact O-ND2 2.95Å
587A47.3Very low46Very low104 Ų104117.1 Ų117.186%0.8672%0.715SS**SBendtrans-56.8-16.7171.300000113
588F45.7Very low47Very low106 Ų106114.7 Ų114.747%0.46570%0.701SS.*SBendtrans-96.6106170-58.9-77.4000110.5S586 F590 L591S586-F588 CarbonylContact O-C 3.58Å; S586-F588 PolarHBondContact O-N 2.97Å; S586-F588 PolarHBondContact OG-N 3Å; F588-F590 HydrophobicContact CB-CD1 4.01Å; F588-F590 HydrophobicContact CB-CE1 3.68Å; F588-F590 HydrophobicContact CB-CZ 4.23Å; F588-F590 HydrophobicContact CD1-CE1 4.24Å; F588-F590 HydrophobicContact CG-CE1 4.21Å; F588-F590 PolarHBondContact O-N 3.14Å; F588-L591 HydrophobicContact CB-CD1 4.25Å; F588-L591 HydrophobicContact CB-CG 4.5Å; F588-L591 PolarHBondContact O-N 2.74Å
589A47.8Very low47.8Very low87 Ų87109.3 Ų109.372%0.71969%0.691SS**G310 helixtrans-56.9-22.6-17300000115.1L591A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.18Å
590F53.3Low48.7Very low66 Ų66103.9 Ų103.929%0.28968%0.679SS.*G310 helixtrans-75.8-8.3178.972.3-98.3000114.7L14 L538 F588L14-F590 HydrophobicContact CD1-CZ 4.31Å; L538-F590 HydrophobicContact CD2-CD1 4.37Å; L538-F590 HydrophobicContact CD2-CE1 4.15Å; L538-F590 HydrophobicContact CD2-CZ 4.43Å; F588-F590 HydrophobicContact CB-CD1 4.01Å; F588-F590 HydrophobicContact CB-CE1 3.68Å; F588-F590 HydrophobicContact CB-CZ 4.23Å; F588-F590 HydrophobicContact CD1-CE1 4.24Å; F588-F590 HydrophobicContact CG-CE1 4.21Å; F588-F590 PolarHBondContact O-N 3.14Å
591L45.7Very low49.3Very low102 Ų102104 Ų10453%0.53468%0.679SS.*G310 helixtrans-94.5-2.2177.4-66.8176.2000113.5F588 A589F588-L591 HydrophobicContact CB-CD1 4.25Å; F588-L591 HydrophobicContact CB-CG 4.5Å; F588-L591 PolarHBondContact O-N 2.74Å; A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.18Å
592N64.4Low50Low80 Ų80102 Ų10243%0.42867%0.667SS.*  trans-107.847.2-173.4-54.3-35000111.2P585 S586P585-N592 WeakPolarHBondContact CA-OD1 3.41Å; S586-N592 PolarHBondContact N-ND2 2.83Å; S586-N592 PolarHBondContact N-OD1 3.09Å; S586-N592 PolarHBondContact O-ND2 2.95Å
593A44.4Very low51Low162 Ų162104.9 Ų104.9100%1.33966%0.662SS**  trans-109.80-172.300000112.6

Retrieved 593 of 593 residues in 120 ms (Link to these results)

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