A0A096NQW9_PAPAN Loading...

Mitochondrial fission regulator

Plays a role in mitochondrial aerobic respiration. Regulates mitochondrial organization and fission.

AlphaFold DB , UniProt , Accession A0A096NQW9, Species PAPAN (Papio anubis, Olive baboon), Gene MTFR2, Length 386 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
1M58.7Low78.7Confident191 Ų19197.8 Ų97.894%0.94150%0.498SS*.  0-42.70-61.8-54.9-93.900112.8
2S71.8Confident79.1Confident80 Ų8090.4 Ų90.456%0.55946%0.46SS*.Hα-helixtrans-61.5-43.8-178.1-176.90000115I4 L5 N6S2-I4 PolarHBondContact O-N 3.1Å; S2-L5 PolarHBondContact O-N 2.88Å; S2-N6 PolarHBondContact O-N 3.01Å
3L79.9Confident79.6Confident126 Ų12693.4 Ų93.466%0.6647%0.471SS*.Hα-helixtrans-61.5-38.9-177.7-171.5127000113.9N6 I7L3-N6 PolarHBondContact O-N 3.26Å; L3-I7 HydrophobicContact CD2-CD1 3.64Å; L3-I7 HydrophobicContact CG-CD1 4.21Å; L3-I7 WeakPolarHBondContact O-CG1 3.08Å; L3-I7 PolarHBondContact O-N 3.3Å; L3-I7 VanDerWaalsContact O-N 3.09Å
4I79.4Confident80Confident103 Ų10399.9 Ų99.953%0.52849%0.489SS..Hα-helixtrans-68.8-38.9179.3-67.8165.9000111S2 N6 L8S2-I4 PolarHBondContact O-N 3.1Å; I4-N6 VanDerWaalsContact C-N 3.33Å; I4-L8 HydrophobicContact CG2-CD1 4.01Å; I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.39Å; I4-L8 PolarHBondContact O-N 3.41Å
5L77.6Confident80.1Confident55 Ų55100.1 Ų100.129%0.28849%0.487SS..Hα-helixtrans-66.9-36.7177.1-69.5171.8000111.7S2 L8 R9 W26S2-L5 PolarHBondContact O-N 2.88Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-R9 WeakPolarHBondContact O-CB 3.33Å; L5-R9 PolarHBondContact O-N 3.4Å; L5-W26 HydrophobicContact CD2-CD2 4.08Å; L5-W26 HydrophobicContact CD2-CE3 3.77Å; L5-W26 HydrophobicContact CD2-CH2 3.28Å; L5-W26 HydrophobicContact CD2-CZ2 3.69Å; L5-W26 HydrophobicContact CD2-CZ3 3.34Å; L5-W26 HydrophobicContact CG-CH2 4.47Å
6N81.7Confident80Confident78 Ų7898.1 Ų98.142%0.41750%0.5SS..Hα-helixtrans-67.6-45.3177.2-68.3-9.2000111.9S2 L3 I4 L8 R9 E10S2-N6 PolarHBondContact O-N 3.01Å; L3-N6 PolarHBondContact O-N 3.26Å; I4-N6 VanDerWaalsContact C-N 3.33Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.39Å; N6-R9 WeakPolarHBondContact O-CB 3.44Å; N6-R9 PolarHBondContact O-N 3.12Å; N6-R9 VanDerWaalsContact O-N 3.14Å; N6-E10 PolarHBondContact O-N 3.21Å
7I85.4Confident80Confident88 Ų8892.9 Ų92.945%0.45147%0.474SS..Hα-helixtrans-60.6-41.6175.5-67166.2000110.7L3 R9 E10 M11L3-I7 HydrophobicContact CD2-CD1 3.64Å; L3-I7 HydrophobicContact CG-CD1 4.21Å; L3-I7 WeakPolarHBondContact O-CG1 3.08Å; L3-I7 PolarHBondContact O-N 3.3Å; L3-I7 VanDerWaalsContact O-N 3.09Å; I7-R9 VanDerWaalsContact C-N 3.33Å; I7-R9 PolarHBondContact O-N 2.95Å; I7-E10 PolarHBondContact O-N 3.2Å; I7-M11 HydrophobicContact CG2-CG 4.34Å; I7-M11 WeakPolarHBondContact O-CB 3.3Å; I7-M11 WeakPolarHBondContact O-CG 2.98Å; I7-M11 PolarHBondContact O-N 3.35Å
8L79.9Confident79.8Confident39 Ų3991.7 Ų91.720%0.20447%0.473CS..Hα-helixtrans-66.3-35.1176.9-74.6170.5000112.6I4 L5 N6 L12 W26 I37 I41I4-L8 HydrophobicContact CG2-CD1 4.01Å; I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.39Å; I4-L8 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 3.07Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.39Å; L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.01Å; L8-W26 HydrophobicContact CD1-CH2 3.75Å; L8-W26 HydrophobicContact CD1-CZ3 3.66Å; L8-I37 HydrophobicContact CD1-CD1 3.7Å; L8-I41 HydrophobicContact CD2-CD1 3.84Å
9R82.1Confident79.5Confident82 Ų8287.6 Ų87.631%0.30945%0.453SS..Hα-helixtrans-62.2-52174.3171.4-176.7-59.1-84.98.8110.9L5 N6 I7 M11 L12 E13 V19 D20 L23L5-R9 WeakPolarHBondContact O-CB 3.33Å; L5-R9 PolarHBondContact O-N 3.4Å; N6-R9 WeakPolarHBondContact O-CB 3.44Å; N6-R9 PolarHBondContact O-N 3.12Å; N6-R9 VanDerWaalsContact O-N 3.14Å; I7-R9 VanDerWaalsContact C-N 3.33Å; I7-R9 PolarHBondContact O-N 2.95Å; R9-M11 VanDerWaalsContact C-N 3.32Å; R9-M11 PolarHBondContact O-N 2.69Å; R9-L12 PolarHBondContact O-N 3.45Å; R9-E13 VanDerWaalsContact O-CB 3.26Å; R9-E13 WeakPolarHBondContact O-CB 3.23Å; R9-E13 PolarHBondContact O-N 3.25Å; R9-V19 HydrophobicContact CB-CG1 4Å; R9-V19 HydrophobicContact CG-CG1 3.82Å; R9-D20 IonicContact NH1-OD1 3.64Å; R9-L23 VanDerWaalsContact NH2-CD1 3.25Å; R9-L23 VanDerWaalsContact NH2-CD2 3.32Å
10E85.6Confident79.2Confident137 Ų13789.5 Ų89.564%0.6446%0.463SS*.Hα-helixtrans-60.4-41.7178.4-71179.117800112N6 I7 Y14N6-E10 PolarHBondContact O-N 3.21Å; I7-E10 PolarHBondContact O-N 3.2Å; E10-Y14 WeakPolarHBondContact O-CB 3.43Å; E10-Y14 PolarHBondContact O-N 3.11Å
11M83.9Confident78.8Confident97 Ų9791.1 Ų91.148%0.47847%0.469SS..Hα-helixtrans-65.2-44.9177.7-72.7-106.371.400112.5I7 R9 E13 Y14 F15I7-M11 HydrophobicContact CG2-CG 4.34Å; I7-M11 WeakPolarHBondContact O-CB 3.3Å; I7-M11 WeakPolarHBondContact O-CG 2.98Å; I7-M11 PolarHBondContact O-N 3.35Å; R9-M11 VanDerWaalsContact C-N 3.32Å; R9-M11 PolarHBondContact O-N 2.69Å; M11-E13 VanDerWaalsContact C-N 3.34Å; M11-Y14 WeakPolarHBondContact O-CB 3.15Å; M11-Y14 PolarHBondContact O-N 3.27Å; M11-F15 HydrophobicContact CE-CE2 4.38Å; M11-F15 WeakPolarHBondContact O-CD2 3.38Å; M11-F15 PolarHBondContact O-N 2.8Å
12L83.3Confident79.3Confident9 Ų982.5 Ų82.55%0.04743%0.427CS..Hα-helixtrans-68.6-36.8179.7-73.7171.9000111.8L8 R9 Y14 F15 G16 V17 V19 V22 I41L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.01Å; R9-L12 PolarHBondContact O-N 3.45Å; L12-Y14 VanDerWaalsContact C-N 3.35Å; L12-F15 CarbonylContact O-C 3.57Å; L12-F15 PolarHBondContact O-N 3.18Å; L12-G16 PolarHBondContact O-N 3.45Å; L12-V17 HydrophobicContact CB-CB 4.24Å; L12-V17 HydrophobicContact CD2-CB 4.26Å; L12-V17 HydrophobicContact CD2-CG1 4.3Å; L12-V17 HydrophobicContact CD2-CG2 4.32Å; L12-V17 WeakPolarHBondContact O-CB 2.97Å; L12-V17 PolarHBondContact O-N 3.37Å; L12-V19 HydrophobicContact CB-CG2 3.84Å; L12-V22 HydrophobicContact CD1-CG1 4.08Å; L12-I41 HydrophobicContact CD2-CG2 4.06Å
13E86.1Confident79.4Confident129 Ų12981 Ų8160%0.60341%0.412SS*.Hα-helixtrans-62.7-41.2173.5-173.9171-176.100111.5R9 M11 F15 G16 V19R9-E13 VanDerWaalsContact O-CB 3.26Å; R9-E13 WeakPolarHBondContact O-CB 3.23Å; R9-E13 PolarHBondContact O-N 3.25Å; M11-E13 VanDerWaalsContact C-N 3.34Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.13Å; E13-G16 PolarHBondContact O-N 3.4Å; E13-V19 HydrophobicContact CB-CG2 4.13Å
14Y85.3Confident78.9Confident184 Ų18479.9 Ų79.972%0.72241%0.407SS*.Hα-helixtrans-57.9-36.2172.9176.2-97.7000113E10 M11 L12 G16E10-Y14 WeakPolarHBondContact O-CB 3.43Å; E10-Y14 PolarHBondContact O-N 3.11Å; M11-Y14 WeakPolarHBondContact O-CB 3.15Å; M11-Y14 PolarHBondContact O-N 3.27Å; L12-Y14 VanDerWaalsContact C-N 3.35Å; Y14-G16 VanDerWaalsContact C-N 3.26Å; Y14-G16 PolarHBondContact O-N 3.5Å
15F81.4Confident78.4Confident104 Ų10479.1 Ų79.146%0.45640%0.403SS..THydrogen-bonded Turntrans-83.25175.4-68.9-67.6000113.9M11 L12 E13 V17 L45M11-F15 HydrophobicContact CE-CE2 4.38Å; M11-F15 WeakPolarHBondContact O-CD2 3.38Å; M11-F15 PolarHBondContact O-N 2.8Å; L12-F15 CarbonylContact O-C 3.57Å; L12-F15 PolarHBondContact O-N 3.18Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.13Å; F15-V17 VanDerWaalsContact C-N 3.25Å; F15-V17 HydrophobicContact CB-CG2 4.16Å; F15-V17 PolarHBondContact O-N 3.05Å; F15-L45 HydrophobicContact CB-CD2 3.8Å; F15-L45 HydrophobicContact CD1-CD2 4.41Å; F15-L45 HydrophobicContact CD2-CD2 3.74Å; F15-L45 HydrophobicContact CE2-CD2 4.48Å; F15-L45 HydrophobicContact CG-CD2 3.73Å
16G78.6Confident78Confident67 Ų6780.5 Ų80.569%0.69140%0.404SS*.THydrogen-bonded Turntrans7019.5-179.900000114.1L12 E13 Y14L12-G16 PolarHBondContact O-N 3.45Å; E13-G16 PolarHBondContact O-N 3.4Å; Y14-G16 VanDerWaalsContact C-N 3.26Å; Y14-G16 PolarHBondContact O-N 3.5Å
17V80Confident77.4Confident10 Ų1084.3 Ų84.36%0.06142%0.42CS..  trans-82.6130.9179.1179.20000109.2L12 F15 V19 V22 M44 L45L12-V17 HydrophobicContact CB-CB 4.24Å; L12-V17 HydrophobicContact CD2-CB 4.26Å; L12-V17 HydrophobicContact CD2-CG1 4.3Å; L12-V17 HydrophobicContact CD2-CG2 4.32Å; L12-V17 WeakPolarHBondContact O-CB 2.97Å; L12-V17 PolarHBondContact O-N 3.37Å; F15-V17 VanDerWaalsContact C-N 3.25Å; F15-V17 HydrophobicContact CB-CG2 4.16Å; F15-V17 PolarHBondContact O-N 3.05Å; V17-V19 VanDerWaalsContact O-CG2 3.26Å; V17-V19 WeakPolarHBondContact O-CG2 3.41Å; V17-V19 PolarHBondContact O-N 2.8Å; V17-V22 HydrophobicContact CG1-CG2 4.11Å; V17-M44 HydrophobicContact CG1-CB 3.72Å; V17-M44 WeakPolarHBondContact CG2-O 3.07Å; V17-L45 HydrophobicContact CG2-CD2 4.27Å
18P76.8Confident76.4Confident72 Ų7285 Ų8547%0.46843%0.425SS..  trans-68.599.6179.127.3-33.9000111D20 Q21P18-D20 VanDerWaalsContact C-N 3.31Å; P18-D20 PolarHBondContact O-N 3.28Å; P18-Q21 PolarHBondContact O-N 3.28Å
19V73Confident75.7Confident13 Ų1386.7 Ų86.78%0.07943%0.43CS..Hα-helixtrans-68.5-28.5-169-171.90000113.1R9 L12 E13 V17 Q21 V22 L23R9-V19 HydrophobicContact CB-CG1 4Å; R9-V19 HydrophobicContact CG-CG1 3.82Å; L12-V19 HydrophobicContact CB-CG2 3.84Å; E13-V19 HydrophobicContact CB-CG2 4.13Å; V17-V19 VanDerWaalsContact O-CG2 3.26Å; V17-V19 WeakPolarHBondContact O-CG2 3.41Å; V17-V19 PolarHBondContact O-N 2.8Å; V19-Q21 VanDerWaalsContact C-N 3.34Å; V19-Q21 PolarHBondContact O-N 2.99Å; V19-V22 PolarHBondContact O-N 2.76Å; V19-V22 VanDerWaalsContact O-N 3.11Å; V19-L23 HydrophobicContact CG1-CD1 3.43Å; V19-L23 VanDerWaalsContact CG1-CD1 3.43Å; V19-L23 WeakPolarHBondContact O-CD1 3.39Å; V19-L23 PolarHBondContact O-N 3.05Å
20D73.6Confident74.6Confident125 Ų12589.5 Ų89.567%0.66845%0.451SS*.Hα-helixtrans-66.7-34.7-177-59.2-33.2000112.8R9 P18 V22 L24R9-D20 IonicContact NH1-OD1 3.64Å; P18-D20 VanDerWaalsContact C-N 3.31Å; P18-D20 PolarHBondContact O-N 3.28Å; D20-V22 VanDerWaalsContact C-N 3.35Å; D20-L24 PolarHBondContact O-N 3.04Å
21Q71.4Confident72.8Confident124 Ų12493.6 Ų93.658%0.57946%0.462SS*.Hα-helixtrans-71.5-33.1174.1-62.6179.530.500111.3P18 V19 I25P18-Q21 PolarHBondContact O-N 3.28Å; V19-Q21 VanDerWaalsContact C-N 3.34Å; V19-Q21 PolarHBondContact O-N 2.99Å; Q21-I25 VanDerWaalsContact O-CD1 3.31Å; Q21-I25 WeakPolarHBondContact O-CD1 3.45Å; Q21-I25 WeakPolarHBondContact O-CG1 3.45Å; Q21-I25 PolarHBondContact O-N 2.69Å; Q21-I25 VanDerWaalsContact O-N 3.16Å
22V69.6Low71.4Confident10 Ų1091.9 Ų91.96%0.06147%0.47CS..Hα-helixtrans-73.3-40.8-178.4179.80000111.6L12 V17 V19 D20 L24 I25 W26 M44L12-V22 HydrophobicContact CD1-CG1 4.08Å; V17-V22 HydrophobicContact CG1-CG2 4.11Å; V19-V22 PolarHBondContact O-N 2.76Å; V19-V22 VanDerWaalsContact O-N 3.11Å; D20-V22 VanDerWaalsContact C-N 3.35Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-I25 PolarHBondContact O-N 3.29Å; V22-W26 PolarHBondContact O-N 3.11Å; V22-M44 HydrophobicContact CG2-CE 3.65Å; V22-M44 HydrophobicContact CG2-CG 4.28Å
23L72.1Confident70.2Confident48 Ų4894.6 Ų94.625%0.25149%0.49SS..Hα-helixtrans-64.6-40.7174.6-95.4104.4000111.6R9 V19 I25 W26 E27R9-L23 VanDerWaalsContact NH2-CD1 3.25Å; R9-L23 VanDerWaalsContact NH2-CD2 3.32Å; V19-L23 HydrophobicContact CG1-CD1 3.43Å; V19-L23 VanDerWaalsContact CG1-CD1 3.43Å; V19-L23 WeakPolarHBondContact O-CD1 3.39Å; V19-L23 PolarHBondContact O-N 3.05Å; L23-I25 VanDerWaalsContact C-N 3.27Å; L23-I25 PolarHBondContact O-N 2.84Å; L23-W26 PolarHBondContact O-N 2.94Å; L23-E27 WeakPolarHBondContact O-CB 3.24Å; L23-E27 PolarHBondContact O-N 3Å
24L70.3Confident68.9Low103 Ų10395.3 Ų95.354%0.53950%0.503SS..Hα-helixtrans-61.6-37.9177.2-163.672.2000111.7D20 V22 W26 N28D20-L24 PolarHBondContact O-N 3.04Å; V22-L24 VanDerWaalsContact C-N 3.34Å; L24-W26 VanDerWaalsContact C-N 3.35Å; L24-N28 WeakPolarHBondContact CD1-ND2 3.23Å; L24-N28 WeakPolarHBondContact CG-ND2 3.28Å; L24-N28 WeakPolarHBondContact O-CB 2.85Å; L24-N28 PolarHBondContact O-N 3.2Å; L24-N28 PolarHBondContact O-ND2 2.79Å
25I69.2Low68.2Low87 Ų8791.7 Ų91.745%0.44649%0.488SS..Hα-helixtrans-69.7-31.2175.2-67.3162.5000111.9Q21 V22 L23 K29 M44Q21-I25 VanDerWaalsContact O-CD1 3.31Å; Q21-I25 WeakPolarHBondContact O-CD1 3.45Å; Q21-I25 WeakPolarHBondContact O-CG1 3.45Å; Q21-I25 PolarHBondContact O-N 2.69Å; Q21-I25 VanDerWaalsContact O-N 3.16Å; V22-I25 PolarHBondContact O-N 3.29Å; L23-I25 VanDerWaalsContact C-N 3.27Å; L23-I25 PolarHBondContact O-N 2.84Å; I25-K29 WeakPolarHBondContact O-CG 3.26Å; I25-M44 HydrophobicContact CD1-CE 4.46Å
26W69.1Low68Low84 Ų8490.1 Ų90.132%0.31849%0.49SS..Hα-helixtrans-75.9-46.8175.8-166.7-35.6000111.1L5 L8 V22 L23 L24 K29 I37L5-W26 HydrophobicContact CD2-CD2 4.08Å; L5-W26 HydrophobicContact CD2-CE3 3.77Å; L5-W26 HydrophobicContact CD2-CH2 3.28Å; L5-W26 HydrophobicContact CD2-CZ2 3.69Å; L5-W26 HydrophobicContact CD2-CZ3 3.34Å; L5-W26 HydrophobicContact CG-CH2 4.47Å; L8-W26 HydrophobicContact CD1-CH2 3.75Å; L8-W26 HydrophobicContact CD1-CZ3 3.66Å; V22-W26 PolarHBondContact O-N 3.11Å; L23-W26 PolarHBondContact O-N 2.94Å; L24-W26 VanDerWaalsContact C-N 3.35Å; W26-K29 WeakPolarHBondContact O-CB 3.39Å; W26-K29 WeakPolarHBondContact O-CG 3.27Å; W26-K29 PolarHBondContact O-N 2.99Å; W26-I37 HydrophobicContact CE3-CD1 4.15Å; W26-I37 HydrophobicContact CE3-CG1 4.28Å; W26-I37 HydrophobicContact CH2-CD1 3.02Å; W26-I37 HydrophobicContact CH2-CG1 3.95Å; W26-I37 HydrophobicContact CZ2-CD1 3.74Å; W26-I37 HydrophobicContact CZ2-CG1 4.46Å; W26-I37 HydrophobicContact CZ3-CD1 3.25Å; W26-I37 HydrophobicContact CZ3-CG1 3.83Å
27E68Low68Low158 Ų15889.3 Ų89.374%0.73847%0.469SS*.Hα-helixtrans-65.7-38.6-176.7-167.8167.9-160.400111.7L23 K29L23-E27 WeakPolarHBondContact O-CB 3.24Å; L23-E27 PolarHBondContact O-N 3Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.28Å
28N66.4Low68Low104 Ų10494 Ų9456%0.55650%0.497SS*.THydrogen-bonded Turntrans-90.230.8176.3-61.2-63.4000113.5L24 D30L24-N28 WeakPolarHBondContact CD1-ND2 3.23Å; L24-N28 WeakPolarHBondContact CG-ND2 3.28Å; L24-N28 WeakPolarHBondContact O-CB 2.85Å; L24-N28 PolarHBondContact O-N 3.2Å; L24-N28 PolarHBondContact O-ND2 2.79Å; N28-D30 PolarHBondContact O-N 3.33Å
29K64.6Low68.3Low74 Ų7497.1 Ų97.132%0.32250%0.5SS..  trans-67.2102.1176.6-89.2178.6171178.80110.7I25 W26 E27 Y31I25-K29 WeakPolarHBondContact O-CG 3.26Å; W26-K29 WeakPolarHBondContact O-CB 3.39Å; W26-K29 WeakPolarHBondContact O-CG 3.27Å; W26-K29 PolarHBondContact O-N 2.99Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.28Å; K29-Y31 PolarHBondContact O-N 3.31Å
30D57.5Low68.5Low140 Ų14097.7 Ų97.775%0.74950%0.502SS*.  trans-55.6129.3161.5-62.3-41000108.8N28 G32 S33N28-D30 PolarHBondContact O-N 3.33Å; D30-G32 PolarHBondContact O-N 3.31Å; D30-S33 PolarHBondContact O-N 3.33Å
31Y48.1Very low68.8Low223 Ų22393.2 Ų93.288%0.87548%0.478SS*.THydrogen-bonded Turntrans-60.1100.6-179.5-170.4-90.1000109K29K29-Y31 PolarHBondContact O-N 3.31Å
32G56Low69.3Low62 Ų6289 Ų8964%0.63947%0.468SS*.THydrogen-bonded Turntrans136.8-10.3-171.900000115D30 T34D30-G32 PolarHBondContact O-N 3.31Å; G32-T34 VanDerWaalsContact C-N 3.33Å; G32-T34 PolarHBondContact O-N 3.12Å; G32-T34 PolarHBondContact O-OG1 2.87Å
33S57.8Low69.7Low66 Ų6694.9 Ų94.946%0.46249%0.492SS..  trans-60.195.6169-172.60000109.8D30 R35D30-S33 PolarHBondContact O-N 3.33Å; S33-R35 PolarHBondContact O-N 3.29Å
34T58.6Low69.8Low144 Ų14495.6 Ų95.688%0.88350%0.495SS*.  trans-716.7-1660.70000113.4G32G32-T34 VanDerWaalsContact C-N 3.33Å; G32-T34 PolarHBondContact O-N 3.12Å; G32-T34 PolarHBondContact O-OG1 2.87Å
35R69.5Low70.3Confident108 Ų10892.4 Ų92.441%0.40848%0.479SS..  trans-98.6115.2-176.8-61.2-175.3-172.6-96.7-2.1109.1S33 I40S33-R35 PolarHBondContact O-N 3.29Å; R35-I40 HydrophobicContact CB-CG1 4.03Å
36S78.8Confident70.7Confident70 Ų7093.7 Ų93.749%0.4949%0.492SS..  trans-49.5145.2165.2169.50000110.3V38 R39 I40S36-V38 PolarHBondContact O-N 2.92Å; S36-V38 VanDerWaalsContact O-N 3.11Å; S36-V38 PolarHBondContact OG-N 2.82Å; S36-R39 WeakPolarHBondContact O-CA 3.34Å; S36-R39 WeakPolarHBondContact O-CB 3.39Å; S36-R39 PolarHBondContact O-N 2.89Å; S36-I40 PolarHBondContact O-N 3.46Å; S36-I40 VanDerWaalsContact O-N 3.11Å
37I77.3Confident71.1Confident51 Ų5195.1 Ų95.126%0.26251%0.505SS..Hα-helixtrans-44.6-41.5171.8-173-169.1000112.3L8 W26 R39 I40 I41L8-I37 HydrophobicContact CD1-CD1 3.7Å; W26-I37 HydrophobicContact CE3-CD1 4.15Å; W26-I37 HydrophobicContact CE3-CG1 4.28Å; W26-I37 HydrophobicContact CH2-CD1 3.02Å; W26-I37 HydrophobicContact CH2-CG1 3.95Å; W26-I37 HydrophobicContact CZ2-CD1 3.74Å; W26-I37 HydrophobicContact CZ2-CG1 4.46Å; W26-I37 HydrophobicContact CZ3-CD1 3.25Å; W26-I37 HydrophobicContact CZ3-CG1 3.83Å; I37-R39 VanDerWaalsContact C-N 3.29Å; I37-R39 PolarHBondContact O-N 2.91Å; I37-I40 WeakPolarHBondContact O-CB 3.45Å; I37-I40 PolarHBondContact O-N 3.04Å; I37-I40 VanDerWaalsContact O-N 3.14Å; I37-I41 HydrophobicContact CD1-CD1 4.25Å; I37-I41 HydrophobicContact CG1-CD1 3.91Å; I37-I41 WeakPolarHBondContact O-CG1 3.1Å; I37-I41 PolarHBondContact O-N 2.92Å
38V81.1Confident71.8Confident107 Ų10795.8 Ų95.865%0.64851%0.509SS*.Hα-helixtrans-60.4-39.9178.5179.90000111.3S36 G42S36-V38 PolarHBondContact O-N 2.92Å; S36-V38 VanDerWaalsContact O-N 3.11Å; S36-V38 PolarHBondContact OG-N 2.82Å; V38-G42 PolarHBondContact O-N 3.13Å
39R81.5Confident72.5Confident139 Ų13996.3 Ų96.353%0.52552%0.518SS..Hα-helixtrans-77.3-22.6-179.8-166.6167.1-177.781.6-6.8112.7S36 I37S36-R39 WeakPolarHBondContact O-CA 3.34Å; S36-R39 WeakPolarHBondContact O-CB 3.39Å; S36-R39 PolarHBondContact O-N 2.89Å; I37-R39 VanDerWaalsContact C-N 3.29Å; I37-R39 PolarHBondContact O-N 2.91Å
40I78.6Confident72.9Confident24 Ų2498.4 Ų98.412%0.12354%0.541CS..Hα-helixtrans-73.8-51.8171.5-62.7171.7000108.6R35 S36 I37 G42 K43 M44R35-I40 HydrophobicContact CB-CG1 4.03Å; S36-I40 PolarHBondContact O-N 3.46Å; S36-I40 VanDerWaalsContact O-N 3.11Å; I37-I40 WeakPolarHBondContact O-CB 3.45Å; I37-I40 PolarHBondContact O-N 3.04Å; I37-I40 VanDerWaalsContact O-N 3.14Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 3.46Å; I40-K43 WeakPolarHBondContact O-CB 3.44Å; I40-K43 PolarHBondContact O-N 2.91Å; I40-K43 VanDerWaalsContact O-N 3.09Å; I40-M44 WeakPolarHBondContact O-CG 3.37Å; I40-M44 PolarHBondContact O-N 2.97Å
41I80.1Confident74.1Confident32 Ų32103.1 Ų103.116%0.16455%0.548CS..Hα-helixtrans-57.5-47.1177.3-67.4167.2000110.8L8 L12 I37 K43 M44 L45L8-I41 HydrophobicContact CD2-CD1 3.84Å; L12-I41 HydrophobicContact CD2-CG2 4.06Å; I37-I41 HydrophobicContact CD1-CD1 4.25Å; I37-I41 HydrophobicContact CG1-CD1 3.91Å; I37-I41 WeakPolarHBondContact O-CG1 3.1Å; I37-I41 PolarHBondContact O-N 2.92Å; I41-K43 PolarHBondContact O-N 3.26Å; I41-M44 PolarHBondContact O-N 3.38Å; I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 HydrophobicContact CG2-CG 4.12Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 2.99Å; I41-L45 VanDerWaalsContact O-N 3.07Å
42G81.1Confident75.6Confident35 Ų35101.5 Ų101.536%0.36154%0.54SS..Hα-helixtrans-62.8-14.7179.500000115.3V38 I40V38-G42 PolarHBondContact O-N 3.13Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 3.46Å
43K77.5Confident76.8Confident134 Ų134103.4 Ų103.458%0.58354%0.541SS*.Hα-helixtrans-86.2-25.5170.3-79.6-174.9163.9-158.30113.6I40 I41I40-K43 WeakPolarHBondContact O-CB 3.44Å; I40-K43 PolarHBondContact O-N 2.91Å; I40-K43 VanDerWaalsContact O-N 3.09Å; I41-K43 PolarHBondContact O-N 3.26Å
44M74.8Confident77.8Confident63 Ų63107.2 Ų107.231%0.3156%0.556SS.*Hα-helixtrans-90.8-21.9-176.4-56.9-58-110.200111.8V17 V22 I25 I40 I41V17-M44 HydrophobicContact CG1-CB 3.72Å; V17-M44 WeakPolarHBondContact CG2-O 3.07Å; V22-M44 HydrophobicContact CG2-CE 3.65Å; V22-M44 HydrophobicContact CG2-CG 4.28Å; I25-M44 HydrophobicContact CD1-CE 4.46Å; I40-M44 WeakPolarHBondContact O-CG 3.37Å; I40-M44 PolarHBondContact O-N 2.97Å; I41-M44 PolarHBondContact O-N 3.38Å
45L80.9Confident78.8Confident36 Ų36109 Ų10919%0.18855%0.552CS.*SBendtrans-72.5144.4172.6-65.4174.6000110.3F15 V17 I41 L47F15-L45 HydrophobicContact CB-CD2 3.8Å; F15-L45 HydrophobicContact CD1-CD2 4.41Å; F15-L45 HydrophobicContact CD2-CD2 3.74Å; F15-L45 HydrophobicContact CE2-CD2 4.48Å; F15-L45 HydrophobicContact CG-CD2 3.73Å; V17-L45 HydrophobicContact CG2-CD2 4.27Å; I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 HydrophobicContact CG2-CG 4.12Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 2.99Å; I41-L45 VanDerWaalsContact O-N 3.07Å; L45-L47 HydrophobicContact CB-CD1 3.92Å; L45-L47 HydrophobicContact CB-CD2 4.44Å; L45-L47 HydrophobicContact CB-CG 3.69Å; L45-L47 HydrophobicContact CD1-CD1 4.08Å; L45-L47 PolarHBondContact O-N 3.39Å
46P77.9Confident79.1Confident113 Ų113112.4 Ų112.473%0.73457%0.573SS**  trans-7462.4175.532.8-36.2000110.8
47L78.1Confident78.7Confident114 Ų114116.7 Ų116.760%0.59759%0.589SS**PPolyproline II helixtrans-99.6137.6179-58.7176.8000109.7L45L45-L47 HydrophobicContact CB-CD1 3.92Å; L45-L47 HydrophobicContact CB-CD2 4.44Å; L45-L47 HydrophobicContact CB-CG 3.69Å; L45-L47 HydrophobicContact CD1-CD1 4.08Å; L45-L47 PolarHBondContact O-N 3.39Å
48E82.1Confident78.4Confident172 Ų172121.4 Ų121.480%0.80461%0.614SS**PPolyproline II helixtrans-66.2133.5170.9-165.5173.517800109.5C50E48-C50 PolarHBondContact O-N 2.85Å; E48-C50 VanDerWaalsContact O-N 3.11Å
49P80.7Confident77.7Confident115 Ų115121.7 Ų121.775%0.74762%0.617SS**PPolyproline II helixtrans-57.6119.7175.9-24.533.8000110.7R51P49-R51 PolarHBondContact O-N 3.47Å
50C73.8Confident76.5Confident119 Ų119122.2 Ų122.280%0.80463%0.63SS**PPolyproline II helixtrans-58.4128.7176.5-51.90000109.8E48 R52E48-C50 PolarHBondContact O-N 2.85Å; E48-C50 VanDerWaalsContact O-N 3.11Å; C50-R52 PolarHBondContact O-N 2.71Å; C50-R52 VanDerWaalsContact O-N 3.11Å
51R81.8Confident75.3Confident239 Ų239129 Ų12990%0.90267%0.666SS**PPolyproline II helixtrans-59.2118.6172.9-68-163.6-178.6-170.82.2108.7P49P49-R51 PolarHBondContact O-N 3.47Å
52R80.3Confident73.5Confident189 Ų189134.8 Ų134.871%0.71370%0.697SS**PPolyproline II helixtrans-73.2133173-65.4-171.9-175.2173.17.4107.8C50 N54C50-R52 PolarHBondContact O-N 2.71Å; C50-R52 VanDerWaalsContact O-N 3.11Å; R52-N54 PolarHBondContact O-N 2.89Å; R52-N54 VanDerWaalsContact O-N 3.11Å
53P81.7Confident71.9Confident102 Ų102137.7 Ų137.766%0.66271%0.712SS**PPolyproline II helixtrans-60.5118.6169.224.7-30.5000107.6F55P53-F55 HydrophobicContact CB-CZ 4.44Å
54N76.9Confident70.5Confident145 Ų145137.6 Ų137.678%0.77572%0.722SS**PPolyproline II helixtrans-89.5120.2171.1-63.7-41.8000106.2R52 E56R52-N54 PolarHBondContact O-N 2.89Å; R52-N54 VanDerWaalsContact O-N 3.11Å; N54-E56 PolarHBondContact O-N 3.32Å
55F79.4Confident69.3Low183 Ų183141.9 Ų141.980%0.80375%0.746SS**  trans-84.8107.6169.8-59.2-77.8000106.7P53 L57P53-F55 HydrophobicContact CB-CZ 4.44Å; F55-L57 PolarHBondContact O-N 3.49Å
56E76.9Confident67.7Low178 Ų178144.5 Ų144.583%0.83277%0.768SS**  trans-73.3115.4165.7-70.1179.7-175.700106.8N54 I58N54-E56 PolarHBondContact O-N 3.32Å; E56-I58 PolarHBondContact O-N 3.16Å
57L69.7Low66.4Low161 Ų161148 Ų14884%0.84377%0.774SS**  trans-65.9105.8168.1-69171.3000106.2F55 P59F55-L57 PolarHBondContact O-N 3.49Å; L57-P59 VanDerWaalsContact O-CD 3.28Å; L57-P59 WeakPolarHBondContact O-CD 3.29Å; L57-P59 VanDerWaalsContact O-N 3.14Å
58I70.6Confident65.3Low150 Ų150149.7 Ų149.777%0.76978%0.784SS**  trans-55.9120.1170.4-60.1174000105.9E56 L60E56-I58 PolarHBondContact O-N 3.16Å; I58-L60 PolarHBondContact O-N 3.31Å
59P66.6Low63.5Low112 Ų112146.7 Ų146.773%0.72778%0.78SS**  trans-56.7112.2172.3-20.431.7000106.9L57 L61L57-P59 VanDerWaalsContact O-CD 3.28Å; L57-P59 WeakPolarHBondContact O-CD 3.29Å; L57-P59 VanDerWaalsContact O-N 3.14Å; P59-L61 PolarHBondContact O-N 3.12Å; P59-L61 VanDerWaalsContact O-N 3.13Å
60L57.3Low62Low151 Ų151144.3 Ų144.379%0.79178%0.777SS**  trans-46.3124.3171.3-172.472.7000106.3I58 N62I58-L60 PolarHBondContact O-N 3.31Å; L60-N62 PolarHBondContact O-N 3.01Å
61L53.3Low61.2Low167 Ų167144.2 Ų144.287%0.87478%0.778SS**  trans-43.8110.6174.5-115.691.6000106.9P59 S63P59-L61 PolarHBondContact O-N 3.12Å; P59-L61 VanDerWaalsContact O-N 3.13Å; L61-S63 PolarHBondContact O-N 3.34Å
62N42Very low60.3Low152 Ų152138.2 Ų138.281%0.81377%0.767SS**  trans-56115.6177.9-75.4-33000106.2L60 V64L60-N62 PolarHBondContact O-N 3.01Å; N62-V64 PolarHBondContact O-N 3.26Å; N62-V64 VanDerWaalsContact O-N 3.11Å
63S47.1Very low59.3Low97 Ų97134.6 Ų134.668%0.67877%0.766SS**  trans-31.9116163.9178.20000108.8L61 D65L61-S63 PolarHBondContact O-N 3.34Å; S63-D65 PolarHBondContact O-N 2.96Å
64V48Very low58.4Low131 Ų131135 Ų13579%0.79477%0.769SS**  trans-50.9131.4155.6169.80000106.3N62 S66N62-V64 PolarHBondContact O-N 3.26Å; N62-V64 VanDerWaalsContact O-N 3.11Å; V64-S66 PolarHBondContact O-N 3.44Å; V64-S66 VanDerWaalsContact O-N 3.11Å
65D51.1Low57.8Low153 Ų153131.5 Ų131.582%0.81876%0.755SS**  trans-45.2114.3-173.1-59-64.7000111.9S63S63-D65 PolarHBondContact O-N 2.96Å
66S46.5Very low57Low92 Ų92131.5 Ų131.564%0.64376%0.756SS**  trans-129.383.4155.7-172.40000106.5V64 N68V64-S66 PolarHBondContact O-N 3.44Å; V64-S66 VanDerWaalsContact O-N 3.11Å; S66-N68 PolarHBondContact O-N 3.48Å
67E50.8Low56.3Low186 Ų186127.1 Ų127.187%0.86975%0.75SS**  trans-43.2129.3157-73.8179.1151.900107.9
68N55Low56.3Low150 Ų150124.3 Ų124.380%0.80274%0.735SS**  trans82.578.7179.8-161.129.2000116.3S66S66-N68 PolarHBondContact O-N 3.48Å
69C43.5Very low56.2Low108 Ų108121.2 Ų121.273%0.7372%0.72SS**  trans-158.1133135-92.60000108.6
70G50.2Low56.2Low65 Ų65124.5 Ų124.567%0.6773%0.73SS**  trans-56.7159.6-179.300000112.7V72G70-V72 WeakPolarHBondContact O-CG2 3.25Å; G70-V72 PolarHBondContact O-N 3.01Å
71S55.8Low56.1Low117 Ų117126.3 Ų126.382%0.81873%0.728SS**  trans-33.196.2-175.562.20000112.8V73S71-V73 PolarHBondContact O-N 2.91Å
72V63.3Low56.4Low114 Ų114122.8 Ų122.869%0.69171%0.713SS**  trans-74.8103.3176.9178.50000105.6G70 P74G70-V72 WeakPolarHBondContact O-CG2 3.25Å; G70-V72 PolarHBondContact O-N 3.01Å; V72-P74 WeakPolarHBondContact O-CD 3.32Å
73V59.3Low57.4Low112 Ų112118.3 Ų118.368%0.67970%0.697SS**PPolyproline II helixtrans-67.1121.1171.5177.80000106.1S71 S75S71-V73 PolarHBondContact O-N 2.91Å; V73-S75 PolarHBondContact O-N 3.03Å
74P62.8Low57.7Low112 Ų112120 Ų12073%0.72770%0.699SS**PPolyproline II helixtrans-54.6118.4174.4-20.330.3000108.5V72V72-P74 WeakPolarHBondContact O-CD 3.32Å
75S65.5Low58.1Low70 Ų70120 Ų12049%0.4969%0.694SS.*PPolyproline II helixtrans-98157179.2-179.20000108.9V73 A77 D78V73-S75 PolarHBondContact O-N 3.03Å; S75-A77 PolarHBondContact O-N 2.96Å; S75-D78 PolarHBondContact N-OD2 2.87Å; S75-D78 WeakPolarHBondContact O-CB 3.4Å; S75-D78 PolarHBondContact O-N 3.49Å
76F60.8Low58.5Low184 Ų184121.4 Ų121.481%0.80770%0.696SS**G310 helixtrans-57.2-16.9173.4-94.6-84.1000113.4D78 I79F76-D78 VanDerWaalsContact C-N 3.27Å; F76-D78 PolarHBondContact O-N 2.82Å; F76-I79 HydrophobicContact CD1-CD1 3.78Å; F76-I79 HydrophobicContact CE1-CD1 4.04Å
77A63.2Low58.8Low86 Ų86126 Ų12671%0.71171%0.707SS**G310 helixtrans-69.6-19.1172.900000114.2S75 I79S75-A77 PolarHBondContact O-N 2.96Å; A77-I79 VanDerWaalsContact C-N 3.32Å
78D69.5Low58.8Low101 Ų101120.1 Ų120.154%0.5469%0.69SS.*G310 helixtrans-86.1-7.1-178.7-55.9-41.1000112.5S75 F76 L80S75-D78 PolarHBondContact N-OD2 2.87Å; S75-D78 WeakPolarHBondContact O-CB 3.4Å; S75-D78 PolarHBondContact O-N 3.49Å; F76-D78 VanDerWaalsContact C-N 3.27Å; F76-D78 PolarHBondContact O-N 2.82Å; D78-L80 PolarHBondContact O-N 3.38Å
79I69.7Low58.8Low86 Ų86118.4 Ų118.444%0.44169%0.69SS.*  trans-86.694.8176.8-53.6175.1000107.6F76 A77 Y81 V82F76-I79 HydrophobicContact CD1-CD1 3.78Å; F76-I79 HydrophobicContact CE1-CD1 4.04Å; A77-I79 VanDerWaalsContact C-N 3.32Å; I79-Y81 PolarHBondContact O-N 3.32Å; I79-Y81 VanDerWaalsContact O-N 3.12Å; I79-V82 HydrophobicContact CG2-CG2 3.61Å
80L64.9Low59.2Low180 Ų180122.9 Ų122.994%0.94269%0.693SS**SBendtrans-56.7-27.7-175.8-87.7159.8000114.1D78D78-L80 PolarHBondContact O-N 3.38Å
81Y55.2Low59.2Low189 Ų189128 Ų12874%0.74170%0.704SS**  trans-168.4122174.7-167-115.1000109.5I79 A83I79-Y81 PolarHBondContact O-N 3.32Å; I79-Y81 VanDerWaalsContact O-N 3.12Å; Y81-A83 HydrophobicContact CD1-CB 4.2Å; Y81-A83 HydrophobicContact CE1-CB 3.97Å
82V61.3Low58.9Low94 Ų94133.1 Ų133.157%0.5771%0.705SS**  trans-88.4111158.3179.20000104.9I79 N84I79-V82 HydrophobicContact CG2-CG2 3.61Å; V82-N84 PolarHBondContact O-N 2.86Å
83A61.9Low58Low57 Ų57136 Ų13647%0.47171%0.709SS.*  trans-58.9110.9169.700000107.5Y81 D85Y81-A83 HydrophobicContact CD1-CB 4.2Å; Y81-A83 HydrophobicContact CE1-CB 3.97Å; A83-D85 PolarHBondContact O-N 2.87Å
84N53.8Low57.8Low134 Ų134142.1 Ų142.172%0.71772%0.72SS**  trans-70.685.2167.1-99.8-1.4000106.6V82 E86V82-N84 PolarHBondContact O-N 2.86Å; N84-E86 PolarHBondContact O-N 3.37Å
85D56Low57.2Low131 Ų131143.7 Ų143.770%0.70172%0.722SS**  trans-71.490.4161.2-79.7-13.8000106.7A83 E87A83-D85 PolarHBondContact O-N 2.87Å; D85-E87 PolarHBondContact O-N 2.94Å
86E59Low56.1Low182 Ų182144.8 Ų144.885%0.8573%0.73SS**THydrogen-bonded Turntrans-59.4-4.3174.6-88.9175.8149.300113.3N84N84-E86 PolarHBondContact O-N 3.37Å
87E53.8Low55.2Low187 Ų187143.5 Ų143.587%0.87473%0.73SS**THydrogen-bonded Turntrans-106.12.7-173.3-75.5176.915400115.7D85D85-E87 PolarHBondContact O-N 2.94Å
88A50.2Low54.3Low63 Ų63149.8 Ų149.852%0.52174%0.735SS.*  trans-12262.817900000113.6Y90A88-Y90 HydrophobicContact CB-CD2 4.26Å; A88-Y90 PolarHBondContact O-N 3.44Å
89S54.6Low52.8Low114 Ų114154.1 Ų154.180%0.79775%0.749SS**  trans-73.151.9169.661.70000113.3
90Y51.4Low51.3Low203 Ų203156.3 Ų156.380%0.79676%0.762SS**  trans-95.7-2.6178.8-68.5-73.7000114.7A88 R92A88-Y90 HydrophobicContact CB-CD2 4.26Å; A88-Y90 PolarHBondContact O-N 3.44Å; Y90-R92 VanDerWaalsContact C-N 3.3Å; Y90-R92 PolarHBondContact O-N 2.95Å; Y90-R92 VanDerWaalsContact O-N 3.15Å
91L51.6Low50.1Low172 Ų172156.4 Ų156.490%0.90176%0.758SS**  trans-89.667.6171.1-62.7-179.3000110.8F93L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.21Å
92R49.3Very low49.7Very low224 Ų224156.7 Ų156.785%0.84577%0.766SS**  trans-68.990.5168.9-172.2-175.3-92.7-166.5-5.3108.9Y90 R94Y90-R92 VanDerWaalsContact C-N 3.3Å; Y90-R92 PolarHBondContact O-N 2.95Å; Y90-R92 VanDerWaalsContact O-N 3.15Å; R92-R94 PolarHBondContact O-N 3.38Å
93F44.2Very low48.6Very low176 Ų176160.2 Ų160.277%0.77278%0.776SS**  trans-62.4123.4167.2-142.8-97.4000108L91 N95L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.21Å; F93-N95 PolarHBondContact O-N 3.2Å
94R55.5Low47.6Very low240 Ų240167.3 Ų167.391%0.90680%0.796SS**THydrogen-bonded Turntrans-65.5-2.9-169.3-100.5-173.4170-170.5-3.2115.7R92R92-R94 PolarHBondContact O-N 3.38Å
95N49.2Very low46.8Very low145 Ų145166.5 Ų166.578%0.77580%0.796SS**THydrogen-bonded Turntrans-132.132.6-169.5-81.5-0.7000115.5F93 I97F93-N95 PolarHBondContact O-N 3.2Å; N95-I97 PolarHBondContact O-N 3.02Å
96S42.9Very low45.8Very low93 Ų93167.4 Ų167.465%0.6580%0.796SS**  trans-91.699.616356.30000109.7W98S96-W98 PolarHBondContact O-N 2.97Å; S96-W98 VanDerWaalsContact O-N 3.16Å
97I41.4Very low44.7Very low156 Ų156165.5 Ų165.580%0.879%0.79SS**  trans-53.8117.4159.8-77.2166.4000106.7N95 K99N95-I97 PolarHBondContact O-N 3.02Å; I97-K99 PolarHBondContact O-N 3.04Å
98W44.5Very low43.6Very low218 Ų218164.4 Ų164.483%0.82678%0.782SS**  trans-56.1109.3172.9-87.9-48.3000109.2S96S96-W98 PolarHBondContact O-N 2.97Å; S96-W98 VanDerWaalsContact O-N 3.16Å
99K38.1Very low42.9Very low192 Ų192169.2 Ų169.284%0.83579%0.794SS**  trans-111.999.4151.3-72.1-156.8171.8-167.40106.2I97 E101I97-K99 PolarHBondContact O-N 3.04Å; K99-E101 PolarHBondContact O-N 3.4Å
100N39.1Very low41.9Very low133 Ų133169.6 Ų169.671%0.71179%0.793SS**  trans-73.7103.5163.2-72.6-30.5000106.5
101E39.5Very low41.2Very low182 Ų182167.4 Ų167.485%0.8580%0.795SS**  trans-125.5113.8147.8-73.1-167.817400106.3K99 E103K99-E101 PolarHBondContact O-N 3.4Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 2.98Å
102E47.1Very low40.3Very low195 Ų195167.8 Ų167.891%0.91179%0.792SS**  trans-7089.2176.2-69.1153.7170.700108
103E37.6Very low39.5Very low168 Ų168164.6 Ų164.679%0.78579%0.791SS**  trans-94.9104.1169.2-160169.3-163.300108.8E101 V105E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 2.98Å; E103-V105 PolarHBondContact O-N 2.91Å
104K41.1Very low38.8Very low206 Ų206162.3 Ų162.390%0.89679%0.791SS**  trans-57.297.9164-80.8-178.4172.8-178.20108.5E106K104-E106 PolarHBondContact O-N 3.27Å
105V36.5Very low37.7Very low117 Ų117162.3 Ų162.371%0.70979%0.791SS**  trans-87.289.3165.9-176.90000107.4E103 I107E103-V105 PolarHBondContact O-N 2.91Å; V105-I107 PolarHBondContact O-N 3.24Å
106E36.1Very low36.6Very low150 Ų150162.5 Ų162.570%0.70179%0.792SS**  trans-65113.7167.2-148.4169.1-161.200107.9K104 F108K104-E106 PolarHBondContact O-N 3.27Å; E106-F108 HydrophobicContact CB-CD2 4.27Å; E106-F108 HydrophobicContact CB-CE2 3.95Å; E106-F108 HydrophobicContact CG-CD2 4.24Å; E106-F108 HydrophobicContact CG-CE2 3.53Å; E106-F108 HydrophobicContact CG-CZ 4.12Å; E106-F108 PolarHBondContact O-N 3.15Å
107I34Very low36.9Very low141 Ų141163.2 Ų163.272%0.72379%0.794SS**  trans-68113.1179.4-61.5162.2000107.8V105V105-I107 PolarHBondContact O-N 3.24Å
108F32.7Very low36.3Very low164 Ų164164 Ų16472%0.71980%0.8SS**  trans-121.9130.4166.7-75.7-74.1000111.9E106E106-F108 HydrophobicContact CB-CD2 4.27Å; E106-F108 HydrophobicContact CB-CE2 3.95Å; E106-F108 HydrophobicContact CG-CD2 4.24Å; E106-F108 HydrophobicContact CG-CE2 3.53Å; E106-F108 HydrophobicContact CG-CZ 4.12Å; E106-F108 PolarHBondContact O-N 3.15Å
109H35.2Very low36.1Very low164 Ų164158.6 Ų158.676%0.75980%0.795SS**  trans-65.3147.9-175.8-63.2-86000113.6
110P33.8Very low36.2Very low122 Ų122155.1 Ų155.179%0.79279%0.792SS**  trans-91.4115.5178.833.2-28000111.8
111L34.9Very low35.9Very low157 Ų157153 Ų15382%0.82279%0.793SS**  trans-132.3104.6164.5-73.9171.8000111.2
112Q34.3Very low35.6Very low180 Ų180150.4 Ų150.484%0.84179%0.789SS**  trans50.8113.9144.6-67-179.2-6.800122.9
113L32.9Very low35.3Very low158 Ų158152.9 Ų152.983%0.82779%0.79SS**  65.2112.8117.7-141.5151.7000119.6
114V29.4Very low35.2Very low128 Ų128152.3 Ų152.378%0.77679%0.788SS**  167.9113.5126.4162.60000112
115R31.2Very low35.3Very low239 Ų239152.2 Ų152.290%0.90279%0.787SS**  trans33.4122.7144.6-158.2173.4-75.6-124.2-0.4123.2
116D26.7Very low35.2Very low149 Ų149153.7 Ų153.780%0.79779%0.787SS**  trans-49.8-175.8163.6-59-44.5000117.2
117P48.3Very low35.9Very low108 Ų108152.9 Ų152.970%0.70179%0.792SS**  cis-135.2176.1-26.723.30.3000114
118L30.6Very low36.1Very low173 Ų173151.9 Ų151.991%0.90679%0.792SS**  trans151.7131.1132.1-77.2162.1000113.7
119S38.6Very low37.1Very low105 Ų105152.2 Ų152.273%0.73479%0.793SS**  trans-8416817584.10000112.5
120P39.9Very low38Very low118 Ų118150.4 Ų150.477%0.76679%0.789SS**  -156158.980.137.3-15.1000118.7
121A33.1Very low38.9Very low90 Ų90151.8 Ų151.874%0.74479%0.79SS**  trans29.9128.314200000121.6
122V33.9Very low39.9Very low126 Ų126150.9 Ų150.976%0.76478%0.783SS**  -146.8123.6123175.70000109.4Q124V122-Q124 HydrophobicContact CG1-CG 4.04Å
123R40.6Very low41.2Very low247 Ų247147 Ų14793%0.93277%0.774SS**  trans-71.7122.1163.1-71.8-146.5-97.5-174.7-8.8108.6
124Q35.7Very low42.6Very low157 Ų157144.8 Ų144.873%0.73477%0.767SS**  trans-115120.2155.6-67.6-162.2700109.6V122 E126V122-Q124 HydrophobicContact CG1-CG 4.04Å; Q124-E126 PolarHBondContact O-N 3.2Å
125K44Very low45.1Very low203 Ų203143.7 Ų143.788%0.88376%0.756SS**  trans-89.589.9175.4-172.9-173.7-173.4-173.50104.9
126E34.4Very low47.9Very low149 Ų149136.8 Ų136.870%0.69673%0.734SS**  trans-110.2106.3169.3-78-168.7146.800109.5Q124 V128Q124-E126 PolarHBondContact O-N 3.2Å; E126-V128 HydrophobicContact CB-CG2 4.11Å; E126-V128 PolarHBondContact O-N 2.94Å
127T49.1Very low51Low132 Ų132132.6 Ų132.681%0.8172%0.721SS**  trans-71.385.6161.246.90000107.7K129T127-K129 PolarHBondContact O-N 3.41Å
128V40.2Very low53.2Low121 Ų121129.6 Ų129.673%0.73370%0.704SS**  trans-82.6102.6168.5179.90000107.4E126E126-V128 HydrophobicContact CB-CG2 4.11Å; E126-V128 PolarHBondContact O-N 2.94Å
129K52.8Low56.3Low170 Ų170125.4 Ų125.474%0.73968%0.682SS**  trans-63.3146.3160.1-64.1-179.8177.2-179.70107.7T127T127-K129 PolarHBondContact O-N 3.41Å
130N53.1Low59Low127 Ų127126.7 Ų126.768%0.67967%0.674SS**  trans112.461.1162-49.5-44.1000117.5M132N130-M132 VanDerWaalsContact C-N 3.3Å
131D53Low61.8Low150 Ų150128 Ų12880%0.80267%0.668SS**  trans-98.152142-73.7-31.7000109.5
132M56.9Low64.8Low139 Ų139128.1 Ų128.169%0.68566%0.655SS**Hα-helixtrans-81.9-23.1-167.7-160.569.688.700116.3N130N130-M132 VanDerWaalsContact C-N 3.3Å
133P60Low67.8Low98 Ų98124 Ų12464%0.63664%0.635SS**Hα-helixtrans-90.3-31.2-177.831.1-30.9000114.6A137P133-A137 PolarHBondContact O-N 3.34Å
134V63.3Low70.5Confident112 Ų112114.4 Ų114.468%0.67961%0.608SS**Hα-helixtrans-73.2-37.9-175.6-179.10000111.2A138V134-A138 WeakPolarHBondContact O-CB 3.46Å; V134-A138 PolarHBondContact O-N 3.3Å; V134-A138 VanDerWaalsContact O-N 3.07Å
135N81.1Confident73.5Confident104 Ų104111 Ų11156%0.55659%0.594SS**Hα-helixtrans-68.6-40.8178.8-164.21000111.7A137 A138 I139N135-A137 PolarHBondContact O-N 3.28Å; N135-A138 PolarHBondContact O-N 3.47Å; N135-I139 VanDerWaalsContact O-CG1 3.24Å; N135-I139 WeakPolarHBondContact O-CG1 3.43Å; N135-I139 PolarHBondContact O-N 3.44Å
136E90.5Very high76.1Confident94 Ų94106.8 Ų106.844%0.43958%0.578SS.*Hα-helixtrans-64.5-40.8177.3-172.762.4-15300112.3A138 I139 K140E136-A138 VanDerWaalsContact C-N 3.34Å; E136-I139 PolarHBondContact O-N 3.02Å; E136-K140 WeakPolarHBondContact O-CG 3.45Å; E136-K140 PolarHBondContact O-N 2.89Å; E136-K140 VanDerWaalsContact OE1-CE 3.26Å; E136-K140 WeakPolarHBondContact OE1-CE 3.36Å; E136-K140 IonicContact OE1-NZ 3.85Å
137A92Very high79.1Confident62 Ų62105.1 Ų105.151%0.51257%0.574SS.*Hα-helixtrans-64.9-38.6174.800000112P133 N135 K141P133-A137 PolarHBondContact O-N 3.34Å; N135-A137 PolarHBondContact O-N 3.28Å; A137-K141 WeakPolarHBondContact O-CB 3.21Å; A137-K141 PolarHBondContact O-N 2.9Å
138A94.8Very high81.4Confident44 Ų44105.1 Ų105.136%0.36457%0.565SS.*Hα-helixtrans-65.6-44.4175.500000111.8V134 N135 E136 K140 K141 I142V134-A138 WeakPolarHBondContact O-CB 3.46Å; V134-A138 PolarHBondContact O-N 3.3Å; V134-A138 VanDerWaalsContact O-N 3.07Å; N135-A138 PolarHBondContact O-N 3.47Å; E136-A138 VanDerWaalsContact C-N 3.34Å; A138-K140 PolarHBondContact O-N 2.88Å; A138-K141 PolarHBondContact O-N 3.39Å; A138-I142 VanDerWaalsContact O-CG1 3.29Å; A138-I142 WeakPolarHBondContact O-CG1 3.44Å; A138-I142 PolarHBondContact O-N 3.39Å
139I94.8Very high84.2Confident86 Ų86103.3 Ų103.344%0.44155%0.551SS.*Hα-helixtrans-60.5-44.2177-67.7163.4000110.8N135 E136 K141 I142 A143N135-I139 VanDerWaalsContact O-CG1 3.24Å; N135-I139 WeakPolarHBondContact O-CG1 3.43Å; N135-I139 PolarHBondContact O-N 3.44Å; E136-I139 PolarHBondContact O-N 3.02Å; I139-K141 VanDerWaalsContact C-N 3.33Å; I139-K141 PolarHBondContact O-N 3.39Å; I139-I142 PolarHBondContact O-N 3.43Å; I139-A143 PolarHBondContact O-N 3.22Å
140K96.5Very high86.4Confident131 Ų13199 Ų9957%0.5754%0.538SS*.Hα-helixtrans-62.7-38.8175.6-73.3173.8-177.4171.90112.7E136 A138 A143 A144E136-K140 WeakPolarHBondContact O-CG 3.45Å; E136-K140 PolarHBondContact O-N 2.89Å; E136-K140 VanDerWaalsContact OE1-CE 3.26Å; E136-K140 WeakPolarHBondContact OE1-CE 3.36Å; E136-K140 IonicContact OE1-NZ 3.85Å; A138-K140 PolarHBondContact O-N 2.88Å; K140-A143 PolarHBondContact O-N 3.32Å; K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 2.92Å
141K97.2Very high88.5Confident145 Ų14599.3 Ų99.363%0.6353%0.534SS*.Hα-helixtrans-67.1-40.2176.1-171.6173.7-178.5177.90111.7A137 A138 I139 A144 L145A137-K141 WeakPolarHBondContact O-CB 3.21Å; A137-K141 PolarHBondContact O-N 2.9Å; A138-K141 PolarHBondContact O-N 3.39Å; I139-K141 VanDerWaalsContact C-N 3.33Å; I139-K141 PolarHBondContact O-N 3.39Å; K141-A144 PolarHBondContact O-N 2.98Å; K141-L145 HydrophobicContact CG-CD1 4.35Å; K141-L145 VanDerWaalsContact O-CG 3.29Å; K141-L145 WeakPolarHBondContact O-CG 3.43Å; K141-L145 PolarHBondContact O-N 3.11Å
142I96.7Very high90.7Very high93 Ų9396.5 Ų96.548%0.47752%0.519SS..Hα-helixtrans-61.1-49.9174.3-68.1163.6000109.7A138 I139 A144 L145 E146A138-I142 VanDerWaalsContact O-CG1 3.29Å; A138-I142 WeakPolarHBondContact O-CG1 3.44Å; A138-I142 PolarHBondContact O-N 3.39Å; I139-I142 PolarHBondContact O-N 3.43Å; I142-A144 VanDerWaalsContact C-N 3.32Å; I142-A144 PolarHBondContact O-N 2.83Å; I142-L145 PolarHBondContact O-N 3.33Å; I142-E146 HydrophobicContact CG2-CG 4.4Å; I142-E146 WeakPolarHBondContact O-CG 3.43Å; I142-E146 PolarHBondContact O-N 2.86Å
143A97.4Very high92.7Very high41 Ų4197.9 Ų97.934%0.33952%0.516SS..Hα-helixtrans-60.5-39.5178.400000112.8I139 K140 E146 N147I139-A143 PolarHBondContact O-N 3.22Å; K140-A143 PolarHBondContact O-N 3.32Å; A143-E146 PolarHBondContact O-N 3.03Å; A143-N147 VanDerWaalsContact O-CG 3.3Å; A143-N147 PolarHBondContact O-N 3.32Å; A143-N147 VanDerWaalsContact O-N 3.07Å; A143-N147 PolarHBondContact O-ND2 3.38Å
144A97.9Very high94.5Very high44 Ų4496.7 Ų96.736%0.36451%0.51SS..Hα-helixtrans-62.4-45.6175.300000112K140 K141 I142 E146 N147 E148K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 2.92Å; K141-A144 PolarHBondContact O-N 2.98Å; I142-A144 VanDerWaalsContact C-N 3.32Å; I142-A144 PolarHBondContact O-N 2.83Å; A144-E146 VanDerWaalsContact C-N 3.34Å; A144-E146 PolarHBondContact O-N 2.94Å; A144-N147 PolarHBondContact O-N 3.5Å; A144-E148 PolarHBondContact O-N 3Å
145L98.5Very high96.1Very high86 Ų8695.7 Ų95.745%0.4550%0.498SS..Hα-helixtrans-65.8-35.9177.7-70.1172.5000112.4K141 I142 E148 L149K141-L145 HydrophobicContact CG-CD1 4.35Å; K141-L145 VanDerWaalsContact O-CG 3.29Å; K141-L145 WeakPolarHBondContact O-CG 3.43Å; K141-L145 PolarHBondContact O-N 3.11Å; I142-L145 PolarHBondContact O-N 3.33Å; L145-E148 PolarHBondContact O-N 2.89Å; L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.33Å
146E97.5Very high96.9Very high114 Ų11495.1 Ų95.153%0.53349%0.494SS..Hα-helixtrans-64.4-39.9174.8-73.8175.7169.700112I142 A143 A144 L149 T150I142-E146 HydrophobicContact CG2-CG 4.4Å; I142-E146 WeakPolarHBondContact O-CG 3.43Å; I142-E146 PolarHBondContact O-N 2.86Å; A143-E146 PolarHBondContact O-N 3.03Å; A144-E146 VanDerWaalsContact C-N 3.34Å; A144-E146 PolarHBondContact O-N 2.94Å; E146-L149 PolarHBondContact O-N 3.16Å; E146-T150 WeakPolarHBondContact O-CB 3.34Å; E146-T150 PolarHBondContact O-N 2.99Å; E146-T150 PolarHBondContact O-OG1 3.29Å
147N98Very high97.3Very high115 Ų11593.4 Ų93.462%0.61550%0.496SS*.Hα-helixtrans-64.7-45.3174.9-71-28.4000111.7A143 A144 T150 F151A143-N147 VanDerWaalsContact O-CG 3.3Å; A143-N147 PolarHBondContact O-N 3.32Å; A143-N147 VanDerWaalsContact O-N 3.07Å; A143-N147 PolarHBondContact O-ND2 3.38Å; A144-N147 PolarHBondContact O-N 3.5Å; N147-T150 PolarHBondContact O-N 2.96Å; N147-F151 PolarHBondContact O-N 3.11Å
148E98.1Very high97.5Very high131 Ų13192.6 Ų92.661%0.61249%0.489SS*.Hα-helixtrans-63.1-42.1176.4-72.5178.3-164.900112.1A144 L145 T150 F151 L152A144-E148 PolarHBondContact O-N 3Å; L145-E148 PolarHBondContact O-N 2.89Å; E148-T150 VanDerWaalsContact C-N 3.32Å; E148-T150 PolarHBondContact O-N 2.87Å; E148-F151 PolarHBondContact O-N 3.15Å; E148-L152 WeakPolarHBondContact O-CB 3.47Å; E148-L152 PolarHBondContact O-N 2.93Å
149L98.4Very high97.6Very high84 Ų8495.3 Ų95.344%0.4450%0.497SS..Hα-helixtrans-63.4-39175-82.2169.7000112.1L145 E146 L152 R153L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.33Å; E146-L149 PolarHBondContact O-N 3.16Å; L149-L152 PolarHBondContact O-N 3.06Å; L149-R153 WeakPolarHBondContact O-CB 3.24Å; L149-R153 VanDerWaalsContact O-CG 3.24Å; L149-R153 WeakPolarHBondContact O-CG 3.37Å; L149-R153 PolarHBondContact O-N 2.79Å
150T98.1Very high97.7Very high78 Ų7894 Ų9448%0.47949%0.492SS..Hα-helixtrans-65.1-43.6176.1-570000110.4E146 N147 E148 R153 S154E146-T150 WeakPolarHBondContact O-CB 3.34Å; E146-T150 PolarHBondContact O-N 2.99Å; E146-T150 PolarHBondContact O-OG1 3.29Å; N147-T150 PolarHBondContact O-N 2.96Å; E148-T150 VanDerWaalsContact C-N 3.32Å; E148-T150 PolarHBondContact O-N 2.87Å; T150-R153 PolarHBondContact O-N 3.29Å; T150-S154 PolarHBondContact O-N 3.11Å; T150-S154 PolarHBondContact O-OG 2.9Å; T150-S154 VanDerWaalsContact O-OG 3.1Å
151F98.3Very high97.6Very high134 Ų13494.4 Ų94.459%0.58850%0.496SS*.Hα-helixtrans-61.5-44175.1-179.7-108.6000112.6N147 E148 S154 Q155N147-F151 PolarHBondContact O-N 3.11Å; E148-F151 PolarHBondContact O-N 3.15Å; F151-S154 PolarHBondContact O-N 3.14Å; F151-Q155 VanDerWaalsContact CZ-NE2 3.28Å; F151-Q155 PolarHBondContact O-N 3.11Å
152L98.6Very high97.3Very high92 Ų9294 Ų9448%0.48250%0.499SS..Hα-helixtrans-64.2-42177.4-176.163.3000111.9E148 L149 S154 Q155 I156E148-L152 WeakPolarHBondContact O-CB 3.47Å; E148-L152 PolarHBondContact O-N 2.93Å; L149-L152 PolarHBondContact O-N 3.06Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 2.86Å; L152-Q155 PolarHBondContact O-N 3.34Å; L152-I156 HydrophobicContact CD1-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 4.06Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.26Å; L152-I156 PolarHBondContact O-N 3.23Å
153R98.4Very high97Very high168 Ų16894.8 Ų94.863%0.63450%0.5SS*.Hα-helixtrans-61.2-42.2175-75.2169.7178.4163.40.3111.7L149 T150 I156 A157L149-R153 WeakPolarHBondContact O-CB 3.24Å; L149-R153 VanDerWaalsContact O-CG 3.24Å; L149-R153 WeakPolarHBondContact O-CG 3.37Å; L149-R153 PolarHBondContact O-N 2.79Å; T150-R153 PolarHBondContact O-N 3.29Å; R153-I156 PolarHBondContact O-N 3.07Å; R153-A157 WeakPolarHBondContact O-CB 3.29Å; R153-A157 PolarHBondContact O-N 3.23Å
154S97.8Very high96.5Very high73 Ų7398.9 Ų98.951%0.5151%0.512SS..Hα-helixtrans-63.5-40.3175.3-61.80000112.4T150 F151 L152 A157 A158T150-S154 PolarHBondContact O-N 3.11Å; T150-S154 PolarHBondContact O-OG 2.9Å; T150-S154 VanDerWaalsContact O-OG 3.1Å; F151-S154 PolarHBondContact O-N 3.14Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 2.86Å; S154-A157 PolarHBondContact O-N 2.9Å; S154-A158 PolarHBondContact O-N 3.17Å
155Q98.1Very high95.9Very high91 Ų91103 Ų10343%0.42553%0.527SS..Hα-helixtrans-63.2-45.3174-96.7-172.466.300112.3F151 L152 A157 A158 I159F151-Q155 VanDerWaalsContact CZ-NE2 3.28Å; F151-Q155 PolarHBondContact O-N 3.11Å; L152-Q155 PolarHBondContact O-N 3.34Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.85Å; Q155-A158 PolarHBondContact O-N 3.31Å; Q155-I159 WeakPolarHBondContact O-CG1 3.47Å; Q155-I159 PolarHBondContact O-N 3.29Å
156I97.9Very high95.1Very high91 Ų91105.3 Ų105.347%0.46753%0.534SS..Hα-helixtrans-61.1-45176.9-68166.4000109.9L152 R153 A158 I159 V160L152-I156 HydrophobicContact CD1-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 4.06Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.26Å; L152-I156 PolarHBondContact O-N 3.23Å; R153-I156 PolarHBondContact O-N 3.07Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 3.04Å; I156-I159 PolarHBondContact O-N 3.47Å; I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.29Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.25Å
157A97.6Very high94.1Very high58 Ų58104.1 Ų104.148%0.47953%0.531SS..Hα-helixtrans-58.3-44.8176.900000111.8R153 S154 Q155 I159 V160 E161R153-A157 WeakPolarHBondContact O-CB 3.29Å; R153-A157 PolarHBondContact O-N 3.23Å; S154-A157 PolarHBondContact O-N 2.9Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.85Å; A157-I159 PolarHBondContact O-N 3.35Å; A157-V160 PolarHBondContact O-N 2.91Å; A157-E161 WeakPolarHBondContact O-CB 3.5Å; A157-E161 PolarHBondContact O-N 3.44Å
158A96.4Very high92.6Very high45 Ų45102.3 Ų102.337%0.37253%0.527SS..Hα-helixtrans-62.4-42176.600000112.5S154 Q155 I156 V160 E161 M162S154-A158 PolarHBondContact O-N 3.17Å; Q155-A158 PolarHBondContact O-N 3.31Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 3.04Å; A158-V160 VanDerWaalsContact C-N 3.35Å; A158-E161 PolarHBondContact O-N 3.19Å; A158-M162 WeakPolarHBondContact O-CB 3.31Å; A158-M162 WeakPolarHBondContact O-CG 3.39Å; A158-M162 PolarHBondContact O-N 3.45Å
159I96.9Very high90.8Very high102 Ų10299.1 Ų99.152%0.52352%0.523SS..Hα-helixtrans-63.8-42.8176.7-68166.2000110.8Q155 I156 A157 M162 Q163Q155-I159 WeakPolarHBondContact O-CG1 3.47Å; Q155-I159 PolarHBondContact O-N 3.29Å; I156-I159 PolarHBondContact O-N 3.47Å; A157-I159 PolarHBondContact O-N 3.35Å; I159-M162 PolarHBondContact O-N 3.03Å; I159-Q163 VanDerWaalsContact O-CB 3.28Å; I159-Q163 WeakPolarHBondContact O-CB 3.43Å; I159-Q163 PolarHBondContact O-N 2.9Å
160V96.7Very high88.8Confident58 Ų58100.7 Ų100.735%0.35253%0.532SS..Hα-helixtrans-64.4-45.8178.1171.80000110.6I156 A157 A158 M162 Q163 E164I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.29Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.25Å; A157-V160 PolarHBondContact O-N 2.91Å; A158-V160 VanDerWaalsContact C-N 3.35Å; V160-M162 PolarHBondContact O-N 3.27Å; V160-Q163 CarbonylContact O-C 3.57Å; V160-Q163 WeakPolarHBondContact O-CB 3.49Å; V160-Q163 PolarHBondContact O-N 2.88Å; V160-Q163 VanDerWaalsContact O-N 3.11Å; V160-E164 HydrophobicContact CG1-CG 4.38Å; V160-E164 WeakPolarHBondContact O-CG 3.42Å; V160-E164 PolarHBondContact O-N 2.93Å
161E95Very high86.6Confident139 Ų139100.8 Ų100.865%0.6554%0.536SS*.Hα-helixtrans-61.1-43.9177.2-173.7177.1-174.600111.8A157 A158 Q163 E164 L165A157-E161 WeakPolarHBondContact O-CB 3.5Å; A157-E161 PolarHBondContact O-N 3.44Å; A158-E161 PolarHBondContact O-N 3.19Å; E161-Q163 VanDerWaalsContact C-N 3.3Å; E161-Q163 PolarHBondContact O-N 3.43Å; E161-E164 PolarHBondContact O-N 3.05Å; E161-L165 WeakPolarHBondContact O-CB 3.29Å; E161-L165 PolarHBondContact O-N 3.09Å
162M90.7Very high84.2Confident138 Ų13899.4 Ų99.468%0.6854%0.543SS*.Hα-helixtrans-63.5-36.2174.3-71176.773.100112.2A158 I159 V160 K166A158-M162 WeakPolarHBondContact O-CB 3.31Å; A158-M162 WeakPolarHBondContact O-CG 3.39Å; A158-M162 PolarHBondContact O-N 3.45Å; I159-M162 PolarHBondContact O-N 3.03Å; V160-M162 PolarHBondContact O-N 3.27Å; M162-K166 VanDerWaalsContact O-CB 3.26Å; M162-K166 WeakPolarHBondContact O-CB 3.2Å; M162-K166 PolarHBondContact O-N 3.43Å
163Q91.4Very high81.9Confident109 Ų10999 Ų9951%0.50955%0.548SS..Hα-helixtrans-70.7-41.3176.9-176.1172.533.800111.6I159 V160 E161 K166 N167I159-Q163 VanDerWaalsContact O-CB 3.28Å; I159-Q163 WeakPolarHBondContact O-CB 3.43Å; I159-Q163 PolarHBondContact O-N 2.9Å; V160-Q163 CarbonylContact O-C 3.57Å; V160-Q163 WeakPolarHBondContact O-CB 3.49Å; V160-Q163 PolarHBondContact O-N 2.88Å; V160-Q163 VanDerWaalsContact O-N 3.11Å; E161-Q163 VanDerWaalsContact C-N 3.3Å; E161-Q163 PolarHBondContact O-N 3.43Å; Q163-K166 PolarHBondContact O-N 2.95Å; Q163-N167 VanDerWaalsContact O-CB 3.27Å; Q163-N167 WeakPolarHBondContact O-CB 3.36Å; Q163-N167 PolarHBondContact O-N 3.34Å; Q163-N167 PolarHBondContact O-ND2 2.84Å
164E85.9Confident79Confident127 Ų127100.4 Ų100.459%0.59356%0.559SS**Hα-helixtrans-64.3-42.6175.3-73.8-176.9177.800111.4V160 E161 N167 S168V160-E164 HydrophobicContact CG1-CG 4.38Å; V160-E164 WeakPolarHBondContact O-CG 3.42Å; V160-E164 PolarHBondContact O-N 2.93Å; E161-E164 PolarHBondContact O-N 3.05Å; E164-N167 PolarHBondContact O-N 3.03Å; E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.33Å; E164-S168 PolarHBondContact O-N 3.04Å
165L85.2Confident76Confident129 Ų129100.7 Ų100.768%0.67557%0.574SS**Hα-helixtrans-64.4-42174.8-172.4128.5000112E161 S168 A169E161-L165 WeakPolarHBondContact O-CB 3.29Å; E161-L165 PolarHBondContact O-N 3.09Å; L165-S168 PolarHBondContact O-N 2.81Å; L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.07Å
166K82.5Confident73.5Confident136 Ų136103.5 Ų103.559%0.59159%0.591SS**Hα-helixtrans-64.2-41.9174.5-179.8178.4175.5-178.20112.1M162 Q163 A169 N170M162-K166 VanDerWaalsContact O-CB 3.26Å; M162-K166 WeakPolarHBondContact O-CB 3.2Å; M162-K166 PolarHBondContact O-N 3.43Å; Q163-K166 PolarHBondContact O-N 2.95Å; K166-A169 PolarHBondContact O-N 3.39Å; K166-N170 VanDerWaalsContact O-CG 3.23Å; K166-N170 PolarHBondContact O-N 2.9Å; K166-N170 VanDerWaalsContact O-N 3.08Å; K166-N170 PolarHBondContact O-ND2 3.11Å
167N75.6Confident71Confident89 Ų89105.3 Ų105.348%0.47660%0.601SS.*Hα-helixtrans-70.7-35.5178.6-69.1-17.3000111.6Q163 E164 N170 S171Q163-N167 VanDerWaalsContact O-CB 3.27Å; Q163-N167 WeakPolarHBondContact O-CB 3.36Å; Q163-N167 PolarHBondContact O-N 3.34Å; Q163-N167 PolarHBondContact O-ND2 2.84Å; E164-N167 PolarHBondContact O-N 3.03Å; N167-N170 PolarHBondContact O-N 3.35Å; N167-S171 WeakPolarHBondContact O-CB 3.34Å; N167-S171 PolarHBondContact O-N 3.16Å; N167-S171 VanDerWaalsContact O-N 3.13Å
168S66.6Low68Low77 Ų77110.6 Ų110.654%0.53862%0.622SS.*Hα-helixtrans-62.6-46.9172.4-178.90000111.4E164 L165 N170 S171 S172E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.33Å; E164-S168 PolarHBondContact O-N 3.04Å; L165-S168 PolarHBondContact O-N 2.81Å; S168-N170 VanDerWaalsContact C-N 3.31Å; S168-N170 PolarHBondContact O-N 3.07Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 3.41Å; S168-S172 PolarHBondContact O-N 2.93Å
169A61.3Low65.5Low64 Ų64117.3 Ų117.353%0.52964%0.642SS.*Hα-helixtrans-64.1-31.1176.700000113.6L165 K166 S171 S172L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.07Å; K166-A169 PolarHBondContact O-N 3.39Å; A169-S171 VanDerWaalsContact C-N 3.35Å; A169-S172 PolarHBondContact O-OG 3.47Å
170N56.2Low63.7Low116 Ų116117 Ų11762%0.6265%0.647SS**Hα-helixtrans-83.1-9.2175.3-65.6-34.9000113.6K166 N167 S168K166-N170 VanDerWaalsContact O-CG 3.23Å; K166-N170 PolarHBondContact O-N 2.9Å; K166-N170 VanDerWaalsContact O-N 3.08Å; K166-N170 PolarHBondContact O-ND2 3.11Å; N167-N170 PolarHBondContact O-N 3.35Å; S168-N170 VanDerWaalsContact C-N 3.31Å; S168-N170 PolarHBondContact O-N 3.07Å
171S52.2Low60.9Low81 Ų81121.6 Ų121.657%0.56667%0.668SS**Hα-helixtrans-98.4-5.4178.580.10000114.1N167 S168 A169 S173N167-S171 WeakPolarHBondContact O-CB 3.34Å; N167-S171 PolarHBondContact O-N 3.16Å; N167-S171 VanDerWaalsContact O-N 3.13Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 3.41Å; A169-S171 VanDerWaalsContact C-N 3.35Å; S171-S173 PolarHBondContact O-N 3.02Å; S171-S173 VanDerWaalsContact O-N 3.11Å
172S47.3Very low58Low105 Ų105119.3 Ų119.373%0.73467%0.667SS**SBendtrans-78.812.1-177.3760000114.7S168 A169S168-S172 PolarHBondContact O-N 2.93Å; A169-S172 PolarHBondContact O-OG 3.47Å
173S49.8Very low55.5Low83 Ų83121 Ų12158%0.5868%0.678SS**SBendtrans-120.385.5166.4175.50000107.3S171S171-S173 PolarHBondContact O-N 3.02Å; S171-S173 VanDerWaalsContact O-N 3.11Å
174F37.6Very low52.7Low198 Ų198118.9 Ų118.987%0.86869%0.685SS**SBendtrans160.4114.5145.8-75.5-55.1000109.6
175G34Very low50.4Low79 Ų79121.8 Ų121.881%0.81470%0.699SS**  trans9983.9141.100000119.7
176L45.7Very low47.9Very low150 Ų150122.7 Ų122.779%0.78570%0.703SS**  trans6.7136.1140.8-83.8158000121.9
177N46.2Very low45.7Very low129 Ų129121.2 Ų121.269%0.6971%0.711SS**  trans73.3108.5144.5-55.5-35.1000120
178D35Very low43.8Very low169 Ų169121.7 Ų121.790%0.90472%0.721SS**  -173.2142.999.1-102.3-22.3000112.3
179K44.2Very low42.3Very low186 Ų186123.3 Ų123.381%0.80973%0.732SS**  trans-133.4157177.5177.9176.4177.7168.50105.4
180P58.1Low40.8Very low95 Ų95132 Ų13262%0.61775%0.751SS**  cis-143.2-172.129.921.47.8000118.2
181I38.7Very low39.7Very low155 Ų155131 Ų13180%0.79576%0.758SS**  trans97.3126.2150.9-47.5-175.2000112.6
182S33.8Very low38.7Very low90 Ų90131.9 Ų131.963%0.62977%0.771SS**  cis-172.9151.216.1135.50000112.6
183L37.7Very low38.1Very low174 Ų174136.8 Ų136.891%0.91177%0.774SS**  trans65129.7150.1-97.675000123.8
184G33.7Very low37.2Very low64 Ų64141.2 Ų141.266%0.6679%0.79SS**  trans131.581151.900000112.7
185Q37.4Very low36.9Very low189 Ų189135.7 Ų135.788%0.88378%0.775SS**  49.6123.6101.6-79-177.9-34.900112.9
186L31.5Very low37Very low147 Ų147138.9 Ų138.977%0.7778%0.779SS**  cis-173.8137.939-173.177.3000108.2
187S36.4Very low36.4Very low106 Ų106140 Ų14074%0.74178%0.78SS**  trans42.9145.6142.9-56.50000121.6
188S35.9Very low36.5Very low99 Ų99138.7 Ų138.769%0.69278%0.779SS**  cis-175.9144.74.1168.80000107.6
189S34.8Very low36.3Very low111 Ų111137.8 Ų137.878%0.77677%0.774SS**  trans37.4123.7145-520000120.4
190R30.8Very low35.8Very low247 Ų247137.1 Ų137.193%0.93277%0.774SS**  -163.1140101.6-163.1157.4177.8148.6-3.3111.9
191A32.2Very low34.8Very low93 Ų93142 Ų14277%0.76979%0.786SS**  trans-58.2148.2-178.800000115
192A31.7Very low35.1Very low101 Ų101140.3 Ų140.384%0.83579%0.785SS**  -178.1114.9102.900000109
193R34.6Very low35.2Very low208 Ų208141.2 Ų141.279%0.78579%0.791SS**  trans-79.6134.9163.9-57.6-142.2-32139.122.2109S195R193-S195 PolarHBondContact NH2-OG 3.48Å
194L31.4Very low35.6Very low176 Ų176138.8 Ų138.892%0.92179%0.788SS**  trans-139.5115.4143.3-89.5171.8000108.1
195S31.7Very low35.8Very low81 Ų81142.2 Ų142.257%0.56680%0.796SS**  trans-72.8134.7168-76.30000109.7R193R193-S195 PolarHBondContact NH2-OG 3.48Å
196V35.1Very low36.2Very low147 Ų147141.5 Ų141.589%0.89180%0.798SS**  trans-150.7137.1139.9178.20000109.2
197E34.3Very low36.6Very low172 Ų172140.1 Ų140.180%0.80480%0.801SS**  trans-56.5164179.3-160.955.5-167.200114.9
198P48.4Very low37.2Very low103 Ų103139.9 Ų139.967%0.66980%0.799SS**  trans-96.9145.1-16735.9-27.6000112.9
199D30.9Very low38.2Very low150 Ų150140.3 Ų140.380%0.80280%0.799SS**  trans-175.3163137.1-136.5-23.7000112.3
200Q32.3Very low39.6Very low171 Ų171140.7 Ų140.780%0.79980%0.799SS**  trans99106.3164.5-61.1168.930.800118.3
201F38.5Very low41.3Very low199 Ų199134.6 Ų134.687%0.87379%0.791SS**  trans-44.3151152.8-64.3-90000112.1
202P45.1Very low42.9Very low119 Ų119135.9 Ų135.977%0.77379%0.792SS**  -145.4147.4110.933-15.9000116.2
203S34.3Very low44.7Very low108 Ų108136.7 Ų136.776%0.75579%0.788SS**  trans40.7122.1140-69.40000122V205S203-V205 PolarHBondContact O-N 2.89Å
204S46.4Very low46.2Very low123 Ų123132.9 Ų132.986%0.8679%0.791SS**  trans-37124.4149.1-56.10000113.4
205V38.4Very low47.2Very low136 Ų136132.5 Ų132.582%0.82479%0.789SS**  trans-125110.3156.3-178.30000107.1S203 S207S203-V205 PolarHBondContact O-N 2.89Å; V205-S207 PolarHBondContact O-N 3.28Å
206L45.6Very low48.5Very low174 Ų174133.8 Ų133.891%0.91180%0.795SS**  trans-59.5113.7168-76.3152.8000108.5
207S40.2Very low49.2Very low119 Ų119131.7 Ų131.783%0.83279%0.785SS**PPolyproline II helixtrans-93.7117.8165.2-156.50000108.3V205V205-S207 PolarHBondContact O-N 3.28Å
208S49.7Very low49.5Very low101 Ų101132.3 Ų132.371%0.70679%0.788SS**PPolyproline II helixtrans-60143.3173.5161.30000110.9
209P56.9Low48.9Very low108 Ų108136.9 Ų136.970%0.70180%0.797SS**PPolyproline II helixtrans-68.5150.4173.529.6-32.7000111.3
210P64Low49.1Very low118 Ų118134.9 Ų134.977%0.76680%0.795SS**PPolyproline II helixtrans-69.8154.2175.328.7-33.5000111.8
211P64.8Low49.3Very low119 Ų119132.2 Ų132.277%0.77380%0.795SS**PPolyproline II helixtrans-70.3153.5-178.929.2-34.5000112.5
212P67.1Low49Very low121 Ų121131.2 Ų131.279%0.78680%0.798SS**PPolyproline II helixtrans-73.9151.6179.230.5-33.9000112.4
213P68.9Low48.8Very low117 Ų117133.9 Ų133.976%0.7680%0.8SS**PPolyproline II helixtrans-72.9155176.330.2-34.2000112.6
214P65.4Low49Very low128 Ų128134.5 Ų134.583%0.83180%0.802SS**PPolyproline II helixtrans-75.1143.2-17830.2-33.1000112.7
215L53.1Low48.3Very low168 Ų168136.7 Ų136.788%0.8880%0.803SS**PPolyproline II helixtrans-79.1144.8176.3-76154.7000111.8
216P58.5Low48Very low108 Ų108136.1 Ų136.170%0.70180%0.804SS**PPolyproline II helixtrans-76155.3177.430.1-32.9000113.1
217P49.8Very low47.4Very low104 Ų104137.5 Ų137.568%0.67580%0.803SS**PPolyproline II helixtrans-73.1137.4-173.828.3-33.1000112.9F219P217-F219 HydrophobicContact CG-CE2 4.31Å
218Q42.1Very low47.5Very low184 Ų184137.8 Ų137.886%0.8680%0.801SS**PPolyproline II helixtrans-77121.2173.6-59.9-176.1-3.400109.6
219F35.2Very low47Very low200 Ų200138.5 Ų138.588%0.87780%0.804SS**PPolyproline II helixtrans-96.2116.7167.6-75.7-78.8000109.5P217P217-F219 HydrophobicContact CG-CE2 4.31Å
220S34.9Very low45.8Very low107 Ų107140.6 Ų140.675%0.74881%0.814SS**PPolyproline II helixtrans-79.4144178.2-63.10000112.9
221S35.7Very low44.4Very low115 Ų115143.4 Ų143.480%0.80482%0.817SS**  trans54.4113150.475.60000120.4
222L33.4Very low43Very low178 Ų178143 Ų14393%0.93282%0.815SS**PPolyproline II helixtrans-81.7134.9156.3-69168000110.4
223Q40.1Very low40.9Very low175 Ų175148.6 Ų148.682%0.81882%0.82SS**PPolyproline II helixtrans-92.4148.1159-98.2-174.2-32.100109.8
224P39.7Very low39.2Very low122 Ų122147.6 Ų147.679%0.79282%0.816SS**PPolyproline II helixtrans-96.7136.9171.333.9-26.2000111.6
225L31.3Very low37.6Very low168 Ų168146.5 Ų146.588%0.8881%0.811SS**  trans-122.9145.7165.9-109102.7000111.6
226C31.1Very low36.6Very low125 Ų125144.9 Ų144.985%0.84580%0.804SS**  trans-73.3161.1-163.5-66.20000116.2
227F33.5Very low35.1Very low203 Ų203146.3 Ų146.389%0.8980%0.804SS**  trans-63.8162.4167.2-62.3-84000113.8
228P42.1Very low34.2Very low124 Ų124146.3 Ų146.381%0.80581%0.805SS**  -145.1174.6110.830-9.2000116.4
229P39.7Very low33.6Very low117 Ų117144.3 Ų144.376%0.7680%0.8SS**  trans-113.5158-159.540-28.9000115.1
230V31.1Very low33.4Very low152 Ų152139.1 Ų139.192%0.92179%0.789SS**  trans-149.4142.3160.2-171.20000113.6
231Q34.4Very low33.4Very low177 Ų177141.2 Ų141.283%0.82779%0.791SS**  trans-62.6175.7-173.6-81.4-101.3-19.900119.7
232P35.3Very low33.4Very low110 Ų110143 Ų14371%0.71479%0.792SS**  trans-100.4163.3-162.638.8-29.9000114.6
233R24.7Very low34Very low239 Ų239140.6 Ų140.690%0.90279%0.787SS**  trans-153.8106.5176.5-166.9161.8-175.1157.53109.7
234S32Very low33.5Very low95 Ų95136.2 Ų136.266%0.66478%0.781SS**  81.6117.896.4177.70000115.6
235S32.8Very low33.4Very low106 Ų106136 Ų13674%0.74178%0.778SS**  trans-156.3114149.452.40000106.7
236N31.2Very low33.6Very low134 Ų134135.5 Ų135.572%0.71777%0.771SS**  54.1138.885.2-59.6-26000112.6
237I28Very low33.7Very low137 Ų137135.7 Ų135.770%0.70376%0.761SS**  cis-177.4157.6-7.8-103.9157.8000102.2
238C30.3Very low33.9Very low104 Ų104132.1 Ų132.170%0.70375%0.751SS**  trans73.1140.9165.9-80.30000115.8
239D28.9Very low33.9Very low142 Ų142135.5 Ų135.576%0.75975%0.753SS**  cis-159.8140.224.5-97.9-30.7000107.8
240S32.3Very low33.8Very low91 Ų91139 Ų13964%0.63676%0.759SS**  79.6116.9100.9-157.90000115.6
241D32.9Very low34Very low151 Ų151138.6 Ų138.681%0.80775%0.752SS**  trans62104.8143.9-56-17.8000121.6
242N36.2Very low34.1Very low154 Ų154138 Ų13882%0.82475%0.753SS**  trans-63154.7147.5-91.8-29.9000110.6
243P46Very low34Very low126 Ų126136.3 Ų136.382%0.81875%0.749SS**  -149.3162.868.635.5-13.5000118.6
244A29.4Very low34.7Very low84 Ų84129.1 Ų129.169%0.69474%0.741SS**  trans-51150.5168.200000114.8
245T38.8Very low35Very low118 Ų118132.1 Ų132.172%0.72475%0.749SS**  -170.8141.5119-4.40000111
246E34.1Very low35.7Very low156 Ų156137.1 Ų137.173%0.72976%0.758SS**  32.5144.1129.4-76.8180146.500119.6
247M34.9Very low35.9Very low129 Ų129135.3 Ų135.364%0.63575%0.752SS**  cis174.6166.219.545.1177.476.400106.8
248N35.8Very low36.8Very low129 Ų129136.9 Ų136.969%0.6976%0.761SS**  trans86.1101.2150.3-68.4-35.8000122.4
249K43.2Very low37Very low194 Ų194139.9 Ų139.984%0.84376%0.759SS**  trans-16.5133.5132.8-54.3172.4179-179.60115.9
250Q37.4Very low38.1Very low191 Ų191138 Ų13889%0.89376%0.757SS**  trans-155.1103.7141.9-65.9-164.71.800112.6
251N36.1Very low38.6Very low144 Ų144139.9 Ų139.977%0.7776%0.756SS**  32.4143.1122.6-76.1-15.5000125.5
252L35.5Very low39.6Very low163 Ų163141.5 Ų141.585%0.85376%0.758SS**  trans67.2155.1149.7-86.897.8000117.8
253A33.6Very low39.8Very low75 Ų75138.4 Ų138.462%0.6275%0.749SS**  cis-178.6155.9-19.100000105.3
254A39.7Very low40.1Very low89 Ų89142.7 Ų142.774%0.73675%0.754SS**  trans60.5121.6161.300000118.7
255N38Very low40.9Very low157 Ų157142.8 Ų142.884%0.8475%0.75SS**  -163118.7124.3-92.2-26.9000111.5
256K46.7Very low41.6Very low211 Ų211144.8 Ų144.892%0.91775%0.751SS**  trans-71117.6158.9-77.6178.8173.8178.10107.4
257T36.6Very low42.5Very low97 Ų97147.2 Ų147.260%0.59575%0.754SS**  trans-142115.8160-460000109.3Y259T257-Y259 HydrophobicContact CG2-CD2 3.94Å; T257-Y259 HydrophobicContact CG2-CE2 4.07Å; T257-Y259 PolarHBondContact O-N 3.07Å; T257-Y259 VanDerWaalsContact O-N 3.1Å
258N47.1Very low43.5Very low169 Ų169146.6 Ų146.690%0.90475%0.753SS**  trans-55.5109.6162.8-69.3-67.8000108.2
259Y33.9Very low44.6Very low167 Ų167148.7 Ų148.766%0.65576%0.756SS**  trans-109.594.3169.3-108-76000109.4T257 H261T257-Y259 HydrophobicContact CG2-CD2 3.94Å; T257-Y259 HydrophobicContact CG2-CE2 4.07Å; T257-Y259 PolarHBondContact O-N 3.07Å; T257-Y259 VanDerWaalsContact O-N 3.1Å; Y259-H261 VanDerWaalsContact C-N 3.26Å; Y259-H261 AromaticContact CD1-CD2 3.15Å; Y259-H261 WeakPolarHBondContact CD1-CD2 3.41Å; Y259-H261 AromaticContact CD1-CE1 3.54Å; Y259-H261 AromaticContact CD1-CG 3.81Å; Y259-H261 AromaticContact CD1-NE2 2.98Å; Y259-H261 WeakPolarHBondContact CD1-NE2 3.39Å; Y259-H261 AromaticContact CE1-CD2 3.8Å; Y259-H261 AromaticContact CE1-CE1 3.44Å; Y259-H261 VanDerWaalsContact CE1-CE1 3.44Å; Y259-H261 WeakPolarHBondContact CE1-CE1 3.24Å; Y259-H261 AromaticContact CE1-NE2 3.08Å; Y259-H261 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H261 AromaticContact CG-CD2 3.74Å; Y259-H261 AromaticContact CG-NE2 3.84Å; Y259-H261 PolarHBondContact O-N 2.73Å
260S52.2Low45.6Very low102 Ų102146.7 Ų146.771%0.71376%0.755SS**  trans-58.195148.8154.40000107.7
261H43Very low47.2Very low131 Ų131143.5 Ų143.561%0.60674%0.742SS**  trans-112.681.8163.2-86.7-53.3000109.1Y259 S263Y259-H261 VanDerWaalsContact C-N 3.26Å; Y259-H261 AromaticContact CD1-CD2 3.15Å; Y259-H261 WeakPolarHBondContact CD1-CD2 3.41Å; Y259-H261 AromaticContact CD1-CE1 3.54Å; Y259-H261 AromaticContact CD1-CG 3.81Å; Y259-H261 AromaticContact CD1-NE2 2.98Å; Y259-H261 WeakPolarHBondContact CD1-NE2 3.39Å; Y259-H261 AromaticContact CE1-CD2 3.8Å; Y259-H261 AromaticContact CE1-CE1 3.44Å; Y259-H261 VanDerWaalsContact CE1-CE1 3.44Å; Y259-H261 WeakPolarHBondContact CE1-CE1 3.24Å; Y259-H261 AromaticContact CE1-NE2 3.08Å; Y259-H261 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H261 AromaticContact CG-CD2 3.74Å; Y259-H261 AromaticContact CG-NE2 3.84Å; Y259-H261 PolarHBondContact O-N 2.73Å; H261-S263 PolarHBondContact O-N 2.93Å
262H53Low49.2Very low185 Ų185141.5 Ų141.586%0.85674%0.737SS**  trans-71.271.6148.7-74.4-67.2000108.5K264H262-K264 PolarHBondContact O-N 3.47Å
263S41.1Very low51.7Low90 Ų90137.5 Ų137.563%0.62972%0.716SS**  trans-82.5109.8163.255.50000107.6H261 S265H261-S263 PolarHBondContact O-N 2.93Å; S263-S265 PolarHBondContact O-N 3.41Å
264K52Low54.4Low215 Ų215139.9 Ų139.994%0.93572%0.716SS**  trans-60.479.6169.1-68.9176178.3175.40109.6H262H262-K264 PolarHBondContact O-N 3.47Å
265S46.9Very low56.7Low87 Ų87141 Ų14161%0.60871%0.709SS**  trans-93.986.1160.5162.80000106.6S263 R267S263-S265 PolarHBondContact O-N 3.41Å; S265-R267 PolarHBondContact O-N 3.44Å
266Q52.3Low59.1Low159 Ų159137.3 Ų137.374%0.74369%0.69SS**  trans-69.176165-171154.6-54.300108
267R53.7Low61.1Low207 Ų207130.9 Ų130.978%0.78167%0.668SS**SBendtrans-132.3114.7164.7-76.9-170.9-173.8169.93.5107S265S265-R267 PolarHBondContact O-N 3.44Å
268N56.4Low63.7Low117 Ų117130.8 Ų130.863%0.62666%0.663SS**  trans5874.4172.8-48.4-26.9000114.2D270N268-D270 PolarHBondContact O-N 3.04Å; N268-D270 VanDerWaalsContact O-N 3.12Å
269K59Low65.7Low173 Ų173129.5 Ų129.575%0.75265%0.65SS**THydrogen-bonded Turntrans-62.1-9.3164.7-67.1-177.8-178.7177.60112.8
270D63.8Low68.3Low152 Ų152125.2 Ų125.281%0.81364%0.638SS**THydrogen-bonded Turntrans-94.9-4.8-173.2-57.3-39.4000113.8N268N268-D270 PolarHBondContact O-N 3.04Å; N268-D270 VanDerWaalsContact O-N 3.12Å
271I70.3Confident70Confident123 Ų123125.9 Ų125.963%0.63163%0.631SS**SBendtrans-120.6112.6177.3-55.2175.5000109.1N273I271-N273 PolarHBondContact O-N 3.25Å
272P79.3Confident72Confident102 Ų102126.7 Ų126.766%0.66264%0.64SS**  trans-62.4128.7175.624.8-31.2000110.1M274P272-M274 PolarHBondContact O-N 2.94Å
273N86.5Confident73.7Confident79 Ų79124.9 Ų124.942%0.42263%0.63SS.*  trans-71.6124.8175.8171.615.1000110.1I271 L275 D276 V277I271-N273 PolarHBondContact O-N 3.25Å; N273-L275 PolarHBondContact O-N 3.49Å; N273-L275 PolarHBondContact OD1-N 3.41Å; N273-L275 VanDerWaalsContact OD1-N 3.13Å; N273-D276 WeakPolarHBondContact CB-OD2 3.2Å; N273-D276 PolarHBondContact ND2-OD2 3.11Å; N273-D276 PolarHBondContact O-N 2.98Å; N273-V277 PolarHBondContact O-N 3.32Å
274M90.2Very high75.9Confident125 Ų125125.5 Ų125.562%0.61663%0.63SS**Hα-helixtrans-59.3-29.2-178.1-74.7-61.1-62.200113.4P272 D276 V277 L278P272-M274 PolarHBondContact O-N 2.94Å; M274-D276 VanDerWaalsContact C-N 3.3Å; M274-D276 PolarHBondContact O-N 2.77Å; M274-V277 PolarHBondContact O-N 3.34Å; M274-L278 WeakPolarHBondContact O-CB 3.48Å; M274-L278 VanDerWaalsContact O-CG 3.26Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 3.44Å
275L89.3Confident77.7Confident113 Ų113124.7 Ų124.759%0.59263%0.626SS**Hα-helixtrans-66.1-33.6175.7-69.3172.5000112.4N273 K279N273-L275 PolarHBondContact O-N 3.49Å; N273-L275 PolarHBondContact OD1-N 3.41Å; N273-L275 VanDerWaalsContact OD1-N 3.13Å; L275-K279 VanDerWaalsContact O-CG 3.23Å; L275-K279 WeakPolarHBondContact O-CG 3.43Å; L275-K279 PolarHBondContact O-N 3.29Å; L275-K279 VanDerWaalsContact O-N 3.12Å
276D87.5Confident79.6Confident80 Ų80128.5 Ų128.543%0.42864%0.639SS.*Hα-helixtrans-75.8-36.8179.1-61.4-35.6000110.5N273 M274 K279 D280N273-D276 WeakPolarHBondContact CB-OD2 3.2Å; N273-D276 PolarHBondContact ND2-OD2 3.11Å; N273-D276 PolarHBondContact O-N 2.98Å; M274-D276 VanDerWaalsContact C-N 3.3Å; M274-D276 PolarHBondContact O-N 2.77Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-D280 PolarHBondContact O-N 3.27Å
277V89.9Confident81.1Confident76 Ų76130.9 Ų130.946%0.46164%0.641SS.*Hα-helixtrans-61.8-47.5171.6179.60000111.4N273 M274 K279 D280 M281N273-V277 PolarHBondContact O-N 3.32Å; M274-V277 PolarHBondContact O-N 3.34Å; V277-K279 VanDerWaalsContact C-N 3.3Å; V277-K279 PolarHBondContact O-N 2.92Å; V277-D280 PolarHBondContact O-N 2.88Å; V277-M281 PolarHBondContact O-N 2.9Å; V277-M281 VanDerWaalsContact O-N 3.07Å
278L89.8Confident82.6Confident94 Ų94126.2 Ų126.249%0.49265%0.647SS.*Hα-helixtrans-65.3-31.9-179.9-70.5173000112.6M274 D280M274-L278 WeakPolarHBondContact O-CB 3.48Å; M274-L278 VanDerWaalsContact O-CG 3.26Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 3.44Å; L278-D280 VanDerWaalsContact C-N 3.34Å
279K90.3Very high83.9Confident143 Ų143124.8 Ų124.862%0.62264%0.638SS**Hα-helixtrans-66.5-34.9174.4-80.1173.3-178.1-176.50113.2L275 D276 V277L275-K279 VanDerWaalsContact O-CG 3.23Å; L275-K279 WeakPolarHBondContact O-CG 3.43Å; L275-K279 PolarHBondContact O-N 3.29Å; L275-K279 VanDerWaalsContact O-N 3.12Å; D276-K279 PolarHBondContact O-N 3.46Å; V277-K279 VanDerWaalsContact C-N 3.3Å; V277-K279 PolarHBondContact O-N 2.92Å
280D87.3Confident85.1Confident77 Ų77121.9 Ų121.941%0.41263%0.627SS.*Hα-helixtrans-95.7-4.7-174.8-68.3-19.8000113D276 V277 L278 N282 K283 V284D276-D280 PolarHBondContact O-N 3.27Å; V277-D280 PolarHBondContact O-N 2.88Å; L278-D280 VanDerWaalsContact C-N 3.34Å; D280-N282 VanDerWaalsContact C-N 3.27Å; D280-N282 PolarHBondContact O-N 2.93Å; D280-K283 HydrophobicContact CB-CD 4.42Å; D280-K283 WeakPolarHBondContact O-CA 3.44Å; D280-K283 WeakPolarHBondContact O-CB 3.49Å; D280-K283 PolarHBondContact O-N 3.27Å; D280-K283 WeakPolarHBondContact OD1-CD 3.29Å; D280-K283 VanDerWaalsContact OD1-CE 3.3Å; D280-K283 WeakPolarHBondContact OD1-CE 3.31Å; D280-K283 IonicContact OD1-NZ 3.05Å; D280-K283 PolarHBondContact OD1-NZ 3.22Å; D280-V284 PolarHBondContact O-N 2.98Å
281M89.3Confident86.1Confident116 Ų116122.1 Ų122.157%0.57162%0.617SS**G310 helixtrans-55.9-39.8176.9-169.3170.964.700112.5V277 K283 V284V277-M281 PolarHBondContact O-N 2.9Å; V277-M281 VanDerWaalsContact O-N 3.07Å; M281-K283 PolarHBondContact O-N 3.42Å; M281-V284 PolarHBondContact O-N 3.36Å
282N84.5Confident86.7Confident148 Ų148118 Ų11879%0.79160%0.599SS**G310 helixtrans-76-6.9177.1-66.4-15.8000113.8D280D280-N282 VanDerWaalsContact C-N 3.27Å; D280-N282 PolarHBondContact O-N 2.93Å
283K88.9Confident86.7Confident146 Ų146120.2 Ų120.264%0.63561%0.613SS**G310 helixtrans-97.3-13.6177.8-55.9179.3-172.4163.50112.3D280 M281 K285D280-K283 HydrophobicContact CB-CD 4.42Å; D280-K283 WeakPolarHBondContact O-CA 3.44Å; D280-K283 WeakPolarHBondContact O-CB 3.49Å; D280-K283 PolarHBondContact O-N 3.27Å; D280-K283 WeakPolarHBondContact OD1-CD 3.29Å; D280-K283 VanDerWaalsContact OD1-CE 3.3Å; D280-K283 WeakPolarHBondContact OD1-CE 3.31Å; D280-K283 IonicContact OD1-NZ 3.05Å; D280-K283 PolarHBondContact OD1-NZ 3.22Å; M281-K283 PolarHBondContact O-N 3.42Å; K283-K285 PolarHBondContact O-N 2.89Å
284V87.1Confident86.5Confident104 Ų104119.3 Ų119.363%0.6362%0.622SS**  trans-70.3112.5177.6-178.50000109.2D280 M281D280-V284 PolarHBondContact O-N 2.98Å; M281-V284 PolarHBondContact O-N 3.36Å
285K89.6Confident86.1Confident197 Ų197115 Ų11586%0.85761%0.61SS**  trans-111.8122.9171.4-67.5-174.8178.2-177.70109.3K283K283-K285 PolarHBondContact O-N 2.89Å
286L86.1Confident85.8Confident167 Ų167118.2 Ų118.287%0.87462%0.615SS**PPolyproline II helixtrans-78.5132.8173-60.8-179.2000109.7
287R85.3Confident85.5Confident209 Ų209118.1 Ų118.179%0.78962%0.618SS**PPolyproline II helixtrans-85.5130171.259.3-169-72.2-176.6-1.7109.4I289R287-I289 HydrophobicContact CG-CD1 4.28Å; R287-I289 HydrophobicContact CG-CG1 4.02Å; R287-I289 PolarHBondContact O-N 3.48Å
288A83.5Confident84.8Confident110 Ų110117.5 Ų117.591%0.90961%0.612SS**PPolyproline II helixtrans-68.7119168.300000108.6
289I83.7Confident84Confident86 Ų86120.4 Ų120.444%0.44162%0.622SS.*  trans-105.9129.4175-57.2173.9000106.7R287 R291 P297R287-I289 HydrophobicContact CG-CD1 4.28Å; R287-I289 HydrophobicContact CG-CG1 4.02Å; R287-I289 PolarHBondContact O-N 3.48Å; I289-R291 VanDerWaalsContact O-CG 3.24Å; I289-R291 WeakPolarHBondContact O-CG 3.4Å; I289-R291 PolarHBondContact O-N 3.36Å; I289-P297 HydrophobicContact CG2-CB 3.93Å
290E84.9Confident83Confident112 Ų112120 Ų12052%0.52362%0.62SS.*  trans-58.1129.3174.6-160.5-176.8140.800109.2I298 K300E290-I298 HydrophobicContact CG-CD1 4.08Å; E290-I298 WeakPolarHBondContact O-CB 3.41Å; E290-I298 PolarHBondContact O-N 3.3Å; E290-K300 VanDerWaalsContact CD-NZ 3.27Å; E290-K300 IonicContact OE1-NZ 2.69Å; E290-K300 PolarHBondContact OE1-NZ 2.99Å; E290-K300 WeakPolarHBondContact OE2-CE 3.42Å; E290-K300 IonicContact OE2-NZ 2.69Å; E290-K300 PolarHBondContact OE2-NZ 3.4Å
291R85.9Confident81.8Confident158 Ų158127 Ų12760%0.59664%0.641SS**BIsolated β-bridgetrans-120.1146.6-177.8-48.6-178.789.1142.5-3.1108.9I289 G295 R296I289-R291 VanDerWaalsContact O-CG 3.24Å; I289-R291 WeakPolarHBondContact O-CG 3.4Å; I289-R291 PolarHBondContact O-N 3.36Å; R291-G295 VanDerWaalsContact CZ-O 3.3Å; R291-G295 PolarHBondContact NE-O 2.8Å; R291-G295 PolarHBondContact NH2-O 3.45Å; R291-R296 VanDerWaalsContact CA-O 3.26Å; R291-R296 WeakPolarHBondContact CA-O 3.47Å
292S81.4Confident80.6Confident37 Ų37130.7 Ų130.726%0.25965%0.654SS.*  trans-69165.5170.365.10000110.2G294 G295 R296S292-G294 PolarHBondContact O-N 3.26Å; S292-G295 PolarHBondContact O-N 3.11Å; S292-R296 PolarHBondContact N-O 3.1Å
293P80.9Confident79.7Confident147 Ų147133.6 Ų133.696%0.95565%0.654SS**THydrogen-bonded Turntrans-52.3-22.7177.5-29.236.3000114.8
294G81Confident78.5Confident60 Ų60135.8 Ų135.862%0.61967%0.667SS**THydrogen-bonded Turntrans-92.418.3173.900000115.5S292 R296S292-G294 PolarHBondContact O-N 3.26Å; G294-R296 VanDerWaalsContact C-N 3.28Å; G294-R296 PolarHBondContact O-N 2.87Å
295G82.9Confident77.3Confident35 Ų35134.7 Ų134.736%0.36166%0.657SS.*SBendtrans74.95.7171.800000116.1R291 S292R291-G295 VanDerWaalsContact CZ-O 3.3Å; R291-G295 PolarHBondContact NE-O 2.8Å; R291-G295 PolarHBondContact NH2-O 3.45Å; S292-G295 PolarHBondContact O-N 3.11Å
296R82.4Confident76.4Confident181 Ų181128.8 Ų128.868%0.68364%0.641SS**  trans-81.1129.5176.3-68-163.1-67.7-87.94.9110.8R291 S292 G294 I298R291-R296 VanDerWaalsContact CA-O 3.26Å; R291-R296 WeakPolarHBondContact CA-O 3.47Å; S292-R296 PolarHBondContact N-O 3.1Å; G294-R296 VanDerWaalsContact C-N 3.28Å; G294-R296 PolarHBondContact O-N 2.87Å; R296-I298 PolarHBondContact O-N 3.28Å
297P80.3Confident75.8Confident77 Ų77128 Ų12850%0.563%0.632SS.*BIsolated β-bridgetrans-55.8125.1173-24.534.5000111.2I289 H299I289-P297 HydrophobicContact CG2-CB 3.93Å; P297-H299 PolarHBondContact O-N 3.44Å
298I75.1Confident75.8Confident63 Ų63128.8 Ų128.832%0.32364%0.635SS.*  trans-80.2109.3178.6-63.3171000108E290 R296 K300E290-I298 HydrophobicContact CG-CD1 4.08Å; E290-I298 WeakPolarHBondContact O-CB 3.41Å; E290-I298 PolarHBondContact O-N 3.3Å; R296-I298 PolarHBondContact O-N 3.28Å; I298-K300 HydrophobicContact CG2-CG 4.22Å; I298-K300 PolarHBondContact O-N 2.97Å
299H74.6Confident76Confident156 Ų156125.6 Ų125.672%0.72260%0.603SS**  trans-80.7105.3171.6-161.7-68.3000109.2P297 R301P297-H299 PolarHBondContact O-N 3.44Å; H299-R301 PolarHBondContact ND1-O 2.96Å; H299-R301 PolarHBondContact O-N 3.47Å
300K68.3Low76.2Confident133 Ų133125.6 Ų125.658%0.57861%0.609SS**  trans-74.1121.2174.4-59.8-147.3176.7-177.90109E290 I298E290-K300 VanDerWaalsContact CD-NZ 3.27Å; E290-K300 IonicContact OE1-NZ 2.69Å; E290-K300 PolarHBondContact OE1-NZ 2.99Å; E290-K300 WeakPolarHBondContact OE2-CE 3.42Å; E290-K300 IonicContact OE2-NZ 2.69Å; E290-K300 PolarHBondContact OE2-NZ 3.4Å; I298-K300 HydrophobicContact CG2-CG 4.22Å; I298-K300 PolarHBondContact O-N 2.97Å
301R62.3Low76.5Confident225 Ų225125 Ų12585%0.84961%0.613SS**SBendtrans82.7117.7177.9-54.1-176.4179.5179.7-0.4115.2H299H299-R301 PolarHBondContact ND1-O 2.96Å; H299-R301 PolarHBondContact O-N 3.47Å
302K63.8Low76.6Confident193 Ų193118.1 Ų118.184%0.83959%0.589SS**  trans-56130.4155.8-84.5179.7173.1178.40107.3Q304K302-Q304 PolarHBondContact O-N 2.93Å
303R65Low77.1Confident209 Ų209121.5 Ų121.579%0.78960%0.603SS**  trans-57.5138.1163.3-73.5-177.3176.2-172.8-1.5107.3N305R303-N305 VanDerWaalsContact C-N 3.28Å; R303-N305 WeakPolarHBondContact CB-OD1 3.06Å; R303-N305 PolarHBondContact O-N 3.39Å; R303-N305 PolarHBondContact O-OD1 3.43Å
304Q63.8Low77.6Confident193 Ų193119.2 Ų119.290%0.90258%0.582SS**  trans-67.797.7171.1-165.774.414.700105.7K302K302-Q304 PolarHBondContact O-N 2.93Å
305N62.3Low78.1Confident81 Ų81119.1 Ų119.143%0.43357%0.572SS.*  trans-81.3136.5-174.3-58.9-22.9000110.1R303 S312R303-N305 VanDerWaalsContact C-N 3.28Å; R303-N305 WeakPolarHBondContact CB-OD1 3.06Å; R303-N305 PolarHBondContact O-N 3.39Å; R303-N305 PolarHBondContact O-OD1 3.43Å; N305-S312 WeakPolarHBondContact CB-OG 3.18Å; N305-S312 PolarHBondContact ND2-OG 3.36Å
306S70.9Confident78.4Confident73 Ų73123.3 Ų123.351%0.5158%0.582SS.*  trans-68.2144.3173.256.50000109.7W308 D309S306-W308 PolarHBondContact O-N 3.3Å; S306-D309 WeakPolarHBondContact O-CB 3.26Å; S306-D309 PolarHBondContact O-N 3.2Å; S306-D309 PolarHBondContact OG-N 3.27Å
307H74.6Confident78.9Confident150 Ų150117.4 Ų117.469%0.69457%0.571SS**THydrogen-bonded Turntrans-58.5-20178.2179.860.9000113.3
308W83.3Confident79.4Confident225 Ų225117.7 Ų117.785%0.85257%0.568SS**THydrogen-bonded Turntrans-97.40.1179.5-62.3106.9000114.5S306S306-W308 PolarHBondContact O-N 3.3Å
309D89.6Confident80.1Confident43 Ų43121.3 Ų121.323%0.2358%0.582CS.*  trans-71.3122.8174165.734.8000109.7S306 V311 S312 L313S306-D309 WeakPolarHBondContact O-CB 3.26Å; S306-D309 PolarHBondContact O-N 3.2Å; S306-D309 PolarHBondContact OG-N 3.27Å; D309-V311 PolarHBondContact O-N 2.93Å; D309-V311 PolarHBondContact OD1-N 2.92Å; D309-S312 WeakPolarHBondContact O-CA 3.31Å; D309-S312 WeakPolarHBondContact O-CB 3.43Å; D309-S312 PolarHBondContact O-N 3.31Å; D309-S312 PolarHBondContact OD2-N 3.28Å; D309-S312 PolarHBondContact OD2-OG 2.97Å; D309-L313 PolarHBondContact O-N 3.4Å
310P87.9Confident80.8Confident87 Ų87119.8 Ų119.857%0.56558%0.575SS**Hα-helixtrans-57.6-35-178.522.7-34.8000112.6S312 L313 I314P310-S312 PolarHBondContact O-N 2.94Å; P310-L313 PolarHBondContact O-N 3.46Å; P310-I314 WeakPolarHBondContact O-CB 3.39Å; P310-I314 WeakPolarHBondContact O-CD1 3.41Å; P310-I314 WeakPolarHBondContact O-CG1 3.44Å; P310-I314 PolarHBondContact O-N 3.02Å
311V89.6Confident81.9Confident100 Ų100119.4 Ų119.461%0.60657%0.573SS**Hα-helixtrans-64.6-36.5177.5179.60000110.5D309 S315D309-V311 PolarHBondContact O-N 2.93Å; D309-V311 PolarHBondContact OD1-N 2.92Å; V311-S315 VanDerWaalsContact O-CB 3.27Å; V311-S315 WeakPolarHBondContact O-CB 3.34Å; V311-S315 PolarHBondContact O-N 3.14Å; V311-S315 PolarHBondContact O-OG 3.06Å
312S89.1Confident82.9Confident13 Ų13112.7 Ų112.79%0.09155%0.55CS.*Hα-helixtrans-75.9-39.7-179.1-64.10000112.4N305 D309 P310 S315 H316N305-S312 WeakPolarHBondContact CB-OG 3.18Å; N305-S312 PolarHBondContact ND2-OG 3.36Å; D309-S312 WeakPolarHBondContact O-CA 3.31Å; D309-S312 WeakPolarHBondContact O-CB 3.43Å; D309-S312 PolarHBondContact O-N 3.31Å; D309-S312 PolarHBondContact OD2-N 3.28Å; D309-S312 PolarHBondContact OD2-OG 2.97Å; P310-S312 PolarHBondContact O-N 2.94Å; S312-S315 WeakPolarHBondContact CA-OG 3.28Å; S312-S315 PolarHBondContact O-N 3.38Å; S312-S315 PolarHBondContact O-OG 3.09Å; S312-H316 WeakPolarHBondContact O-CB 3.26Å; S312-H316 PolarHBondContact O-N 3.4Å
313L91.9Very high83.2Confident107 Ų107105.6 Ų105.656%0.5653%0.528SS*.Hα-helixtrans-58.8-48.2171.7-163.581.5000111.1D309 P310 H316 A317D309-L313 PolarHBondContact O-N 3.4Å; P310-L313 PolarHBondContact O-N 3.46Å; L313-H316 PolarHBondContact O-N 3.06Å; L313-A317 WeakPolarHBondContact O-CB 3.2Å; L313-A317 PolarHBondContact O-N 3.22Å
314I91.1Very high83.1Confident100 Ų100104.8 Ų104.851%0.51353%0.53SS..Hα-helixtrans-63.3-45.7177.2-66.9164.9000110.2P310 H316 A317 L318P310-I314 WeakPolarHBondContact O-CB 3.39Å; P310-I314 WeakPolarHBondContact O-CD1 3.41Å; P310-I314 WeakPolarHBondContact O-CG1 3.44Å; P310-I314 PolarHBondContact O-N 3.02Å; I314-H316 VanDerWaalsContact C-N 3.31Å; I314-H316 PolarHBondContact O-N 2.92Å; I314-A317 PolarHBondContact O-N 3.49Å; I314-L318 HydrophobicContact CG2-CD1 3.76Å; I314-L318 HydrophobicContact CG2-CG 4.2Å; I314-L318 WeakPolarHBondContact O-CB 3.45Å; I314-L318 VanDerWaalsContact O-CG 3.25Å; I314-L318 WeakPolarHBondContact O-CG 3.27Å; I314-L318 PolarHBondContact O-N 3.32Å
315S91Very high82.9Confident58 Ų58101.2 Ų101.241%0.40651%0.514SS..Hα-helixtrans-62.7-38179.475.70000112.6V311 S312 K319V311-S315 VanDerWaalsContact O-CB 3.27Å; V311-S315 WeakPolarHBondContact O-CB 3.34Å; V311-S315 PolarHBondContact O-N 3.14Å; V311-S315 PolarHBondContact O-OG 3.06Å; S312-S315 WeakPolarHBondContact CA-OG 3.28Å; S312-S315 PolarHBondContact O-N 3.38Å; S312-S315 PolarHBondContact O-OG 3.09Å; S315-K319 VanDerWaalsContact O-CB 3.23Å; S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 PolarHBondContact O-N 3.44Å
316H89.8Confident82.6Confident123 Ų123104 Ų10457%0.56952%0.524SS*.Hα-helixtrans-69.8-44.1177.6-170.6-81000110.9S312 L313 I314 K319 Q320S312-H316 WeakPolarHBondContact O-CB 3.26Å; S312-H316 PolarHBondContact O-N 3.4Å; L313-H316 PolarHBondContact O-N 3.06Å; I314-H316 VanDerWaalsContact C-N 3.31Å; I314-H316 PolarHBondContact O-N 2.92Å; H316-K319 PolarHBondContact O-N 3.29Å; H316-Q320 VanDerWaalsContact O-CB 3.29Å; H316-Q320 WeakPolarHBondContact O-CB 3.42Å; H316-Q320 PolarHBondContact O-N 3.48Å
317A92.7Very high81.6Confident56 Ų56108 Ų10846%0.46354%0.54SS..Hα-helixtrans-61.8-44176.100000111.9L313 I314 Q320 K321L313-A317 WeakPolarHBondContact O-CB 3.2Å; L313-A317 PolarHBondContact O-N 3.22Å; I314-A317 PolarHBondContact O-N 3.49Å; A317-Q320 PolarHBondContact O-N 2.97Å; A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 2.88Å
318L91.9Very high80.6Confident84 Ų84107.1 Ų107.144%0.4454%0.54SS..Hα-helixtrans-64-46.7174.9-68.6173.6000111.1I314 Q320 K321 F322I314-L318 HydrophobicContact CG2-CD1 3.76Å; I314-L318 HydrophobicContact CG2-CG 4.2Å; I314-L318 WeakPolarHBondContact O-CB 3.45Å; I314-L318 VanDerWaalsContact O-CG 3.25Å; I314-L318 WeakPolarHBondContact O-CG 3.27Å; I314-L318 PolarHBondContact O-N 3.32Å; L318-Q320 VanDerWaalsContact C-N 3.31Å; L318-Q320 PolarHBondContact O-N 3.42Å; L318-K321 PolarHBondContact O-N 2.99Å; L318-F322 HydrophobicContact CB-CD2 4.47Å; L318-F322 HydrophobicContact CD2-CE2 4.03Å; L318-F322 WeakPolarHBondContact O-CD2 3.22Å; L318-F322 PolarHBondContact O-N 3.46Å
319K88.4Confident78.9Confident139 Ų13999.5 Ų99.560%0.60452%0.521SS*.Hα-helixtrans-58-44.5176.8-172.6-175.7178-165.10111.2S315 H316 F322 A323S315-K319 VanDerWaalsContact O-CB 3.23Å; S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 PolarHBondContact O-N 3.44Å; H316-K319 PolarHBondContact O-N 3.29Å; K319-F322 CarbonylContact O-C 3.58Å; K319-F322 PolarHBondContact O-N 2.94Å; K319-A323 WeakPolarHBondContact O-CB 3.48Å; K319-A323 PolarHBondContact O-N 2.81Å
320Q89.1Confident77.1Confident124 Ų124107.1 Ų107.158%0.57955%0.552SS**Hα-helixtrans-66.3-40.4178.3-174.4177.2-13.400112.1H316 A317 L318 F322 A323H316-Q320 VanDerWaalsContact O-CB 3.29Å; H316-Q320 WeakPolarHBondContact O-CB 3.42Å; H316-Q320 PolarHBondContact O-N 3.48Å; A317-Q320 PolarHBondContact O-N 2.97Å; L318-Q320 VanDerWaalsContact C-N 3.31Å; L318-Q320 PolarHBondContact O-N 3.42Å; Q320-F322 VanDerWaalsContact C-N 3.27Å; Q320-F322 PolarHBondContact O-N 3.44Å; Q320-A323 PolarHBondContact O-N 3.4Å
321K91.6Very high75.2Confident125 Ų125111 Ų11154%0.54356%0.563SS.*Hα-helixtrans-60.8-38.1176.5-176.4-172172.2-166.20112A317 L318A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 2.88Å; L318-K321 PolarHBondContact O-N 2.99Å
322F82.7Confident73.3Confident83 Ų83114.2 Ų114.236%0.36457%0.569SS.*Hα-helixtrans-102.74.5-175.5-59.3-62.3000113.9L318 K319 Q320 F324 Q325L318-F322 HydrophobicContact CB-CD2 4.47Å; L318-F322 HydrophobicContact CD2-CE2 4.03Å; L318-F322 WeakPolarHBondContact O-CD2 3.22Å; L318-F322 PolarHBondContact O-N 3.46Å; K319-F322 CarbonylContact O-C 3.58Å; K319-F322 PolarHBondContact O-N 2.94Å; Q320-F322 VanDerWaalsContact C-N 3.27Å; Q320-F322 PolarHBondContact O-N 3.44Å; F322-F324 PolarHBondContact O-N 3.13Å; F322-Q325 HydrophobicContact CB-CB 4.42Å; F322-Q325 WeakPolarHBondContact O-CA 3.26Å; F322-Q325 WeakPolarHBondContact O-CB 3.34Å; F322-Q325 PolarHBondContact O-N 3.35Å
323A71.9Confident71.5Confident44 Ų44121.8 Ų121.836%0.36460%0.603SS.*G310 helixtrans-63.3-29.2177.100000112.3K319 Q320 Q325K319-A323 WeakPolarHBondContact O-CB 3.48Å; K319-A323 PolarHBondContact O-N 2.81Å; Q320-A323 PolarHBondContact O-N 3.4Å; A323-Q325 PolarHBondContact O-N 2.82Å
324F63Low69.6Low193 Ų193124.1 Ų124.185%0.84662%0.616SS**G310 helixtrans-75.81.1172.2-60.5-76.9000113.6F322F322-F324 PolarHBondContact O-N 3.13Å
325Q58.4Low67.7Low118 Ų118130.2 Ų130.255%0.55163%0.633SS**G310 helixtrans-101.2-3.1179.5-153.2168.713.200112.3F322 A323 D327 D328F322-Q325 HydrophobicContact CB-CB 4.42Å; F322-Q325 WeakPolarHBondContact O-CA 3.26Å; F322-Q325 WeakPolarHBondContact O-CB 3.34Å; F322-Q325 PolarHBondContact O-N 3.35Å; A323-Q325 PolarHBondContact O-N 2.82Å; Q325-D327 VanDerWaalsContact C-N 3.29Å; Q325-D327 PolarHBondContact O-N 3.08Å; Q325-D328 PolarHBondContact O-N 3.49Å
326E55.6Low65.5Low138 Ų138131.1 Ų131.165%0.64564%0.639SS**THydrogen-bonded Turntrans-74.2-14.9-179-66.1-179.5-177.600113.4D328E326-D328 VanDerWaalsContact C-N 3.29Å; E326-D328 PolarHBondContact O-N 2.97Å
327D50.9Low63.7Low158 Ų158137.8 Ų137.885%0.84566%0.659SS**THydrogen-bonded Turntrans-76.2-13.3174.1-79.9-29.4000113.5Q325 S329Q325-D327 VanDerWaalsContact C-N 3.29Å; Q325-D327 PolarHBondContact O-N 3.08Å; D327-S329 PolarHBondContact O-N 3.39Å
328D54.2Low61.2Low131 Ų131143.5 Ų143.570%0.70168%0.676SS**SBendtrans-80.466.9161.1-99-18.4000108.9Q325 E326 F330Q325-D328 PolarHBondContact O-N 3.49Å; E326-D328 VanDerWaalsContact C-N 3.29Å; E326-D328 PolarHBondContact O-N 2.97Å; D328-F330 PolarHBondContact O-N 2.96Å
329S46.9Very low58.9Low65 Ų65145 Ų14546%0.45569%0.694SS.*  trans-54.4102.2168.3158.70000109.3D327 E331 K332D327-S329 PolarHBondContact O-N 3.39Å; S329-E331 PolarHBondContact O-N 2.93Å; S329-E331 PolarHBondContact OG-N 3.35Å; S329-K332 PolarHBondContact O-N 3.47Å
330F51.2Low57.1Low203 Ų203142.6 Ų142.689%0.8970%0.695SS**THydrogen-bonded Turntrans-54.3-2.3168.1-82.1-89.3000114.1D328D328-F330 PolarHBondContact O-N 2.96Å
331E49.2Very low55.5Low169 Ų169142.7 Ų142.779%0.7971%0.706SS**THydrogen-bonded Turntrans-88.1-7.1174-159.5160.4-166.300113.6S329S329-E331 PolarHBondContact O-N 2.93Å; S329-E331 PolarHBondContact OG-N 3.35Å
332K48Very low53.3Low168 Ų168146 Ų14673%0.7372%0.72SS**G310 helixtrans-90.5-1.6-176.7-153.6170.3178.2-174.60114.9S329 N334S329-K332 PolarHBondContact O-N 3.47Å; K332-N334 PolarHBondContact O-N 3.08Å
333E52.8Low51.4Low171 Ų171146.8 Ų146.880%0.79974%0.736SS**G310 helixtrans-72.4-15.7172.4-165.8174.1-178.100112.4R335E333-R335 PolarHBondContact O-N 3.11Å
334N52.2Low50.2Low156 Ų156149.4 Ų149.483%0.83475%0.752SS**G310 helixtrans-88.98.5-179.9-104.9-7.4000115K332K332-N334 PolarHBondContact O-N 3.08Å
335R50.7Low49.3Very low229 Ų229146.4 Ų146.486%0.86475%0.752SS**G310 helixtrans-134.343.5178.6-67.6-162.7-157-112.24.4114.8E333E333-R335 PolarHBondContact O-N 3.11Å
336S44Very low48.5Very low77 Ų77149.3 Ų149.354%0.53877%0.766SS.*  trans-141.692166510000110.6E338S336-E338 PolarHBondContact O-N 2.98Å
337W51.6Low47.9Very low263 Ų263148.8 Ų148.8100%0.99677%0.772SS**  trans-70.849.9155.6-74.481.8000110S339W337-S339 PolarHBondContact O-N 2.94Å
338E41.7Very low47.7Very low175 Ų175146.7 Ų146.782%0.81877%0.77SS**  trans-86.6111.2173.3-166.2127.7-153.900107S336 S340S336-E338 PolarHBondContact O-N 2.98Å; E338-S340 PolarHBondContact O-N 3.36Å
339S43.3Very low47.3Very low116 Ų116150.9 Ų150.981%0.81178%0.776SS**  trans-55.5121-175.3-650000110.2W337W337-S339 PolarHBondContact O-N 2.94Å
340S50.7Low47.1Very low89 Ų89157 Ų15762%0.62279%0.794SS**  trans-61.6137.9177.4-148.50000110.4E338 F342E338-S340 PolarHBondContact O-N 3.36Å; S340-F342 PolarHBondContact O-N 3.49Å; S340-F342 VanDerWaalsContact O-N 3.15Å
341P55.3Low46.7Very low126 Ų126150.3 Ų150.382%0.81878%0.783SS**SBendtrans-75.80.2-177.631.9-34.3000113.2
342F46.2Very low46.5Very low193 Ų193151 Ų15185%0.84679%0.786SS**  trans-113.769172.3-91.3-88.3000109.5S340S340-F342 PolarHBondContact O-N 3.49Å; S340-F342 VanDerWaalsContact O-N 3.15Å
343S41.7Very low46.2Very low100 Ų100151.7 Ų151.770%0.69979%0.792SS**  trans-89.4122.9160.6-158.80000108.7
344S46.5Very low45.7Very low99 Ų99150.7 Ų150.769%0.69279%0.79SS**  trans-61.3151.5171.1-61.40000110.3E346S344-E346 PolarHBondContact O-N 3.01Å
345P45.3Very low45Very low130 Ų130148.1 Ų148.184%0.84478%0.784SS**  trans-68.6107.1-179.328.3-31.3000108.9
346E40.3Very low44.6Very low179 Ų179146.3 Ų146.384%0.83679%0.786SS**  trans-71.2129.1176.4-138.9158.6-176.500109S344 S348S344-E346 PolarHBondContact O-N 3.01Å; E346-S348 PolarHBondContact O-N 3.25Å
347T44Very low44.3Very low127 Ų127148.5 Ų148.578%0.77980%0.801SS**  trans-63.7124.3-178.251.80000110.6R349T347-R349 PolarHBondContact O-N 3.43Å; T347-R349 VanDerWaalsContact O-N 3.16Å
348S46.8Very low43.5Very low115 Ų115145.1 Ų145.180%0.80480%0.796SS**  trans-42.3113.4165.8173.90000112.3E346E346-S348 PolarHBondContact O-N 3.25Å
349R44.3Very low43.1Very low219 Ų219140.1 Ų140.183%0.82679%0.791SS**  trans-145.5110.6150.6-75.4-162.4-174.6-139.3-0.4110.7T347T347-R349 PolarHBondContact O-N 3.43Å; T347-R349 VanDerWaalsContact O-N 3.16Å
350F42.9Very low42.7Very low192 Ų192143.9 Ų143.984%0.84280%0.796SS**  trans58.5119143.6-68.9-83.9000119.9
351G44.4Very low41.9Very low64 Ų64150.5 Ų150.566%0.6681%0.808SS**  trans-64156.2-176.400000115.9
352H43.3Very low40.8Very low183 Ų183150 Ų15085%0.84780%0.802SS**  trans-132.6109.2148.3-76.2-73.1000108.5
353H42.6Very low40.3Very low183 Ų183148.2 Ų148.285%0.84779%0.794SS**  trans-68.5135.2159.6-73.5-96.9000108.9
354I41.7Very low39.9Very low149 Ų149150.7 Ų150.776%0.76480%0.795SS**  trans-157.485.9150.1-81.2123.5000104.4
355S37.7Very low39.1Very low102 Ų102154.8 Ų154.871%0.71380%0.803SS**  66.7107.910269.60000114.4
356Q42Very low38.6Very low191 Ų191156.5 Ų156.589%0.89380%0.802SS**  trans-53.3145.4160.8-63.3176.2-8.500110.6
357S37.5Very low38.3Very low123 Ų123154 Ų15486%0.8680%0.798SS**  trans-136.3105.1155.959.90000109.3
358E35.6Very low37.7Very low193 Ų193153.7 Ų153.790%0.90279%0.792SS**  trans-73.6143.4151.4-78.5-179.2128.900108.5
359G33.9Very low37.3Very low69 Ų69153.8 Ų153.871%0.71179%0.788SS**  trans157115.3157.100000117.8
360Q34.5Very low37Very low195 Ų195151.6 Ų151.691%0.91179%0.785SS**  trans83110.6146.3-56.1-177.2-15.800117.9
361R34.3Very low36.7Very low228 Ų228146.9 Ų146.986%0.8678%0.781SS**  70.3130.869.8-98.7-166.6-168.4173.75.9115.7
362T32Very low36.5Very low116 Ų116149.9 Ų149.971%0.71279%0.786SS**  trans72.8140.7155.456.30000116.8
363K35.2Very low36.2Very low156 Ų156147.5 Ų147.568%0.67878%0.779SS**  cis-173.3155.54.7-112.9170.7177.4-151.70108.5
364E32.3Very low36.2Very low151 Ų151147 Ų14771%0.70678%0.777SS**  trans57.3118.9139.7-68.6160.1-163.600121.7
365E31.5Very low35.9Very low185 Ų185142.7 Ų142.786%0.86477%0.77SS**  -165.798.1120.4-146.7172.6160.600108.7
366M33.6Very low36.1Very low167 Ų167145.2 Ų145.282%0.82377%0.774SS**  33.2121.8104.1-75169.871.400113.7
367V35.1Very low36Very low125 Ų125140.4 Ų140.476%0.75876%0.761SS**  -171.7110.483.6158.30000106.4
368N31.3Very low36Very low121 Ų121141 Ų14165%0.64776%0.755SS**  77.6112.793.7-152.41.9000113.8
369T38.1Very low36.1Very low118 Ų118137.7 Ų137.772%0.72475%0.748SS**  -167.9114.2109.341.30000112.2
370K36.5Very low36.3Very low173 Ų173138.9 Ų138.975%0.75275%0.746SS**  60.8113123.9-58177.3-175.6-177.90117.8
371A37.8Very low36.6Very low93 Ų93137 Ų13777%0.76974%0.741SS**  99.8136.7107.100000109.4
372V40.5Very low37Very low126 Ų126132.5 Ų132.576%0.76473%0.734SS**  cis-164.811916.2122.50000102.7
373D36.1Very low37.3Very low133 Ų133133.7 Ų133.771%0.71174%0.735SS**  70.7143.1105.2-159.630.5000115.4
374Q42Very low37.5Very low172 Ų172131.1 Ų131.180%0.80474%0.737SS**  trans80.4120.3174.9-63.1158.737.300116.2
375G36Very low38Very low60 Ų60135 Ų13562%0.61975%0.745SS**  cis173.7152.32.200000110.1
376I42.9Very low38.7Very low155 Ų155137.8 Ų137.880%0.79576%0.764SS**  trans59.893.6132.4-55.8172.7000113.6
377S39.4Very low38.9Very low89 Ų89136.4 Ų136.462%0.62276%0.761SS**  67.3137.899.793.30000112.2
378N36.3Very low39.1Very low137 Ų137136.9 Ų136.973%0.73376%0.761SS**  cis-172.9165.813.4-101.7-28000103.8
379T38.7Very low39.6Very low122 Ų122137.8 Ų137.875%0.74877%0.767SS**  trans33.5131.6141.465.60000118.5
380S38.8Very low39.6Very low95 Ų95139 Ų13966%0.66477%0.77SS**  cis162.4147.627.641.40000105.3
381L40.4Very low39.8Very low154 Ų154136.9 Ų136.981%0.80677%0.771SS**  trans58.7140.2138.2-77.2165.3000121.7
382L41.6Very low40Very low135 Ų135139.8 Ų139.871%0.70777%0.771SS**  trans97.3106.5148.1-69.1149.5000119.2
383N38.8Very low39.9Very low140 Ų140140.8 Ų140.875%0.74977%0.772SS**  70.5112.6121.1-71.9-1000121.6
384S39.8Very low40.2Very low103 Ų103141.4 Ų141.472%0.7278%0.776SS**  69.8131.8110.3-132.80000120.7
385R42.3Very low40.1Very low232 Ų232138.8 Ų138.888%0.87577%0.774SS**  trans71.8117159-67.5-179.7-177.2-173.7-0.4117.2
386I46Very low40.5Very low244 Ų244146 Ų146100%1.25179%0.788SS**  -137.4086.1-81.9159.8000108.1

Retrieved 386 of 386 residues in 1199 ms (Link to these results)