A0A087YJ86_POEFO Loading...

Ankyrin repeat and IBR domain-containing protein 1

Might act as an E3 ubiquitin-protein ligase, or as part of E3 complex, which accepts ubiquitin from specific E2 ubiquitin-conjugating enzymes and then transfers it to substrates.

AlphaFold DB , UniProt , Accession A0A087YJ86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,107 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
1M44.9Very low77.2Confident248 Ų24879 Ų79100%1.22242%0.415SS*.  0144.40-55.9177.5-148.800108
2G55.8Low77.7Confident40 Ų4072.4 Ų72.441%0.41238%0.381SS..  trans-90.9147176.500000112.7K7G2-K7 WeakPolarHBondContact O-CE 3.28Å
3N80.4Confident78.1Confident111 Ų11170.7 Ų70.759%0.59437%0.371SS*.  trans-59.3154.9169.7-168.85.4000110.6A5 T6 K7N3-A5 VanDerWaalsContact C-N 3.27Å; N3-A5 PolarHBondContact O-N 2.83Å; N3-T6 PolarHBondContact N-OG1 2.83Å; N3-T6 PolarHBondContact O-N 3.1Å; N3-T6 PolarHBondContact O-OG1 3.14Å; N3-K7 PolarHBondContact O-N 2.94Å
4T80.3Confident78.2Confident41 Ų4174.4 Ų74.425%0.25239%0.391SS..Hα-helixtrans-55.2-44.1178.948.20000111.5T6 K7 F8T4-T6 VanDerWaalsContact C-N 3.3Å; T4-T6 PolarHBondContact O-N 3.5Å; T4-K7 PolarHBondContact O-N 3.4Å; T4-K7 VanDerWaalsContact O-N 3.16Å; T4-F8 WeakPolarHBondContact O-CB 3.36Å; T4-F8 PolarHBondContact O-N 2.97Å
5A81.4Confident78.1Confident34 Ų3469.7 Ų69.728%0.28137%0.368SS..Hα-helixtrans-55.8-37.2175.200000114.1N3 R9 F30N3-A5 VanDerWaalsContact C-N 3.27Å; N3-A5 PolarHBondContact O-N 2.83Å; A5-R9 WeakPolarHBondContact O-CB 3.33Å; A5-R9 PolarHBondContact O-N 3.48Å; A5-F30 HydrophobicContact CB-CD2 4.15Å; A5-F30 HydrophobicContact CB-CE2 3.55Å; A5-F30 HydrophobicContact CB-CZ 4.29Å
6T83.3Confident78.4Confident65 Ų6569.1 Ų69.140%0.39937%0.365SS..Hα-helixtrans-85.3-21.9179.863.90000113.2N3 T4 K10N3-T6 PolarHBondContact N-OG1 2.83Å; N3-T6 PolarHBondContact O-N 3.1Å; N3-T6 PolarHBondContact O-OG1 3.14Å; T4-T6 VanDerWaalsContact C-N 3.3Å; T4-T6 PolarHBondContact O-N 3.5Å; T6-K10 WeakPolarHBondContact O-CG 3.29Å; T6-K10 PolarHBondContact O-N 2.93Å
7K83.9Confident78.5Confident111 Ų11166.4 Ų66.448%0.48335%0.35SS..Hα-helixtrans-69.2-48.4164.1-65-179.2-179-178.80110.8G2 N3 T4 K10 A11 L23G2-K7 WeakPolarHBondContact O-CE 3.28Å; N3-K7 PolarHBondContact O-N 2.94Å; T4-K7 PolarHBondContact O-N 3.4Å; T4-K7 VanDerWaalsContact O-N 3.16Å; K7-K10 PolarHBondContact O-N 3.29Å; K7-K10 VanDerWaalsContact O-N 3.15Å; K7-A11 PolarHBondContact O-N 3.08Å; K7-L23 HydrophobicContact CB-CD1 3.77Å
8F85.6Confident78.7Confident1 Ų170.5 Ų70.50%0.00437%0.371CS..Hα-helixtrans-60.8-47.4-179.8179.8-101.7000112.1T4 K10 A11 L12 A20 L23 F30 L34 L61 F65T4-F8 WeakPolarHBondContact O-CB 3.36Å; T4-F8 PolarHBondContact O-N 2.97Å; F8-K10 VanDerWaalsContact C-N 3.26Å; F8-K10 PolarHBondContact O-N 3.49Å; F8-A11 PolarHBondContact O-N 2.69Å; F8-A11 VanDerWaalsContact O-N 3.09Å; F8-L12 HydrophobicContact CD1-CD1 4.05Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.4Å; F8-L12 VanDerWaalsContact CE1-CD1 3.4Å; F8-L12 HydrophobicContact CE1-CG 3.88Å; F8-L12 HydrophobicContact CE2-CG 4.41Å; F8-L12 HydrophobicContact CZ-CD1 3.8Å; F8-L12 HydrophobicContact CZ-CD2 4.14Å; F8-L12 HydrophobicContact CZ-CG 3.89Å; F8-L12 PolarHBondContact O-N 3.39Å; F8-A20 HydrophobicContact CD2-CB 4.26Å; F8-A20 WeakPolarHBondContact CD2-O 3.2Å; F8-A20 HydrophobicContact CE2-CB 3.92Å; F8-A20 VanDerWaalsContact CE2-O 3.24Å; F8-A20 WeakPolarHBondContact CE2-O 3.4Å; F8-L23 HydrophobicContact CB-CB 4.46Å; F8-L23 HydrophobicContact CD2-CB 4.11Å; F8-F30 HydrophobicContact CB-CE1 3.81Å; F8-F30 HydrophobicContact CB-CZ 3.89Å; F8-F30 AromaticContact CD1-CE1 3.71Å; F8-F30 HydrophobicContact CD1-CE1 3.71Å; F8-F30 AromaticContact CD1-CZ 3.54Å; F8-F30 HydrophobicContact CD1-CZ 3.54Å; F8-F30 HydrophobicContact CD2-CE1 4.09Å; F8-F30 HydrophobicContact CE1-CE1 4.29Å; F8-F30 HydrophobicContact CE1-CZ 4.24Å; F8-F30 AromaticContact CG-CE1 3.58Å; F8-F30 HydrophobicContact CG-CE1 3.58Å; F8-F30 AromaticContact CG-CZ 3.79Å; F8-F30 HydrophobicContact CG-CZ 3.79Å; F8-L34 HydrophobicContact CD1-CD2 4.46Å; F8-L34 HydrophobicContact CE1-CD2 3.7Å; F8-L34 HydrophobicContact CZ-CD2 4.18Å; F8-L61 HydrophobicContact CE2-CD1 4.25Å; F8-L61 HydrophobicContact CZ-CD1 4.29Å; F8-F65 HydrophobicContact CE1-CZ 4.33Å; F8-F65 AromaticContact CZ-CZ 3.95Å; F8-F65 HydrophobicContact CZ-CZ 3.95Å
9R85.4Confident79Confident71 Ų7170.5 Ų70.527%0.26837%0.371SS..Hα-helixtrans-56.1-40.5173.9-172.1-173.1-60.8165.30.6112.1A5 I13 Y40A5-R9 WeakPolarHBondContact O-CB 3.33Å; A5-R9 PolarHBondContact O-N 3.48Å; R9-I13 HydrophobicContact CG-CD1 3.84Å; R9-I13 HydrophobicContact CG-CG1 4.48Å; R9-I13 WeakPolarHBondContact O-CB 3.46Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.93Å; R9-Y40 HydrophobicContact CG-CD2 4.03Å; R9-Y40 HydrophobicContact CG-CE1 4.41Å; R9-Y40 HydrophobicContact CG-CE2 3.68Å
10K84.3Confident79.3Confident143 Ų14367 Ų6762%0.62235%0.353SS*.Hα-helixtrans-68.7-38.2176.3-75.2-172.9174.9-160.50112.5T6 K7 F8 N14T6-K10 WeakPolarHBondContact O-CG 3.29Å; T6-K10 PolarHBondContact O-N 2.93Å; K7-K10 PolarHBondContact O-N 3.29Å; K7-K10 VanDerWaalsContact O-N 3.15Å; F8-K10 VanDerWaalsContact C-N 3.26Å; F8-K10 PolarHBondContact O-N 3.49Å; K10-N14 WeakPolarHBondContact O-CB 3.28Å; K10-N14 PolarHBondContact O-N 3.48Å; K10-N14 PolarHBondContact O-OD1 3.25Å
11A84Confident79.5Confident4 Ų464.6 Ų64.63%0.03334%0.341CS..Hα-helixtrans-63.2-45174.400000111.7K7 F8 N14 G15 D16 L19 A20K7-A11 PolarHBondContact O-N 3.08Å; F8-A11 PolarHBondContact O-N 2.69Å; F8-A11 VanDerWaalsContact O-N 3.09Å; A11-N14 PolarHBondContact O-N 3.45Å; A11-G15 PolarHBondContact O-N 3.2Å; A11-G15 VanDerWaalsContact O-N 3.1Å; A11-D16 HydrophobicContact CB-CB 4.4Å; A11-D16 PolarHBondContact O-N 2.77Å; A11-L19 HydrophobicContact CB-CB 4.3Å; A11-L19 HydrophobicContact CB-CD2 4.19Å; A11-L19 HydrophobicContact CB-CG 4.14Å; A11-A20 HydrophobicContact CB-CB 3.93Å
12L82.9Confident81.4Confident0 Ų058.9 Ų58.90%031%0.312CS..Hα-helixtrans-57.7-53.6173.3-78.7-175000112.3F8 N14 G15 A20 P49 H56 M58 L61F8-L12 HydrophobicContact CD1-CD1 4.05Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.4Å; F8-L12 VanDerWaalsContact CE1-CD1 3.4Å; F8-L12 HydrophobicContact CE1-CG 3.88Å; F8-L12 HydrophobicContact CE2-CG 4.41Å; F8-L12 HydrophobicContact CZ-CD1 3.8Å; F8-L12 HydrophobicContact CZ-CD2 4.14Å; F8-L12 HydrophobicContact CZ-CG 3.89Å; F8-L12 PolarHBondContact O-N 3.39Å; L12-N14 VanDerWaalsContact C-N 3.3Å; L12-N14 PolarHBondContact O-N 3.13Å; L12-G15 PolarHBondContact O-N 3.39Å; L12-A20 HydrophobicContact CD2-CB 4.29Å; L12-P49 HydrophobicContact CD1-CB 4.25Å; L12-H56 PolarHBondContact O-CD2 3.31Å; L12-H56 PolarHBondContact O-NE2 2.73Å; L12-M58 HydrophobicContact CD2-CE 4.4Å; L12-M58 HydrophobicContact CD2-SD 3.66Å; L12-L61 HydrophobicContact CD2-CD1 3.76Å
13I82.6Confident82.8Confident50 Ų5058.1 Ų58.126%0.25630%0.298SS..Hα-helixtrans-60.4-42-178.5-69.4169.8000110.8R9 G15 Y44 Y52 H56R9-I13 HydrophobicContact CG-CD1 3.84Å; R9-I13 HydrophobicContact CG-CG1 4.48Å; R9-I13 WeakPolarHBondContact O-CB 3.46Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.93Å; I13-G15 VanDerWaalsContact C-N 3.31Å; I13-G15 PolarHBondContact O-N 3.46Å; I13-Y44 HydrophobicContact CD1-CD1 3.77Å; I13-Y44 HydrophobicContact CD1-CE1 3.53Å; I13-Y52 HydrophobicContact CG1-CD1 4.01Å; I13-Y52 HydrophobicContact CG1-CD2 4.38Å; I13-Y52 HydrophobicContact CG1-CE1 3.85Å; I13-Y52 HydrophobicContact CG1-CE2 4.21Å; I13-Y52 HydrophobicContact CG1-CG 4.29Å; I13-H56 PolarHBondContact O-NE2 3.27Å
14N80Confident82.9Confident122 Ų12253 Ų5365%0.65227%0.27SS*.THydrogen-bonded Turntrans-79.2-3.6-178-6612.1000114.6K10 A11 L12K10-N14 WeakPolarHBondContact O-CB 3.28Å; K10-N14 PolarHBondContact O-N 3.48Å; K10-N14 PolarHBondContact O-OD1 3.25Å; A11-N14 PolarHBondContact O-N 3.45Å; L12-N14 VanDerWaalsContact C-N 3.3Å; L12-N14 PolarHBondContact O-N 3.13Å
15G76.8Confident83Confident4 Ų457.9 Ų57.94%0.04129%0.29CS..THydrogen-bonded Turntrans79.111.5-179.500000115.7A11 L12 I13 E17 H56 M58 R103A11-G15 PolarHBondContact O-N 3.2Å; A11-G15 VanDerWaalsContact O-N 3.1Å; L12-G15 PolarHBondContact O-N 3.39Å; I13-G15 VanDerWaalsContact C-N 3.31Å; I13-G15 PolarHBondContact O-N 3.46Å; G15-E17 VanDerWaalsContact C-N 3.34Å; G15-E17 PolarHBondContact O-N 2.97Å; G15-H56 PolarHBondContact N-NE2 3.13Å; G15-M58 VanDerWaalsContact C-CE 3.45Å; G15-M58 VanDerWaalsContact CA-CE 3.48Å; G15-R103 PolarHBondContact O-NH1 2.85Å; G15-R103 PolarHBondContact O-NH2 3.28Å
16D82.7Confident83.1Confident61 Ų6160.2 Ų60.233%0.32631%0.305SS..  trans-82.477.6-179.7-168.2-11000111.4A11 L18 L19 A20A11-D16 HydrophobicContact CB-CB 4.4Å; A11-D16 PolarHBondContact O-N 2.77Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.2Å; D16-L18 PolarHBondContact OD1-N 3.45Å; D16-L19 HydrophobicContact CB-CB 4.18Å; D16-L19 PolarHBondContact O-N 3.36Å; D16-L19 WeakPolarHBondContact OD1-CB 3.3Å; D16-L19 PolarHBondContact OD1-N 3.16Å; D16-L19 VanDerWaalsContact OD1-N 3.1Å; D16-L19 WeakPolarHBondContact OD2-CB 3.19Å; D16-A20 WeakPolarHBondContact O-CB 3.15Å; D16-A20 PolarHBondContact O-N 3.38Å
17E80.1Confident83Confident22 Ų2258.9 Ų58.910%0.10330%0.295CS..Hα-helixtrans-53.1-42.3178.3179174.8-133.400113.1G15 A20 C21 M58 M59 R113G15-E17 VanDerWaalsContact C-N 3.34Å; G15-E17 PolarHBondContact O-N 2.97Å; E17-A20 PolarHBondContact O-N 2.62Å; E17-C21 WeakPolarHBondContact O-CB 3.24Å; E17-C21 PolarHBondContact O-N 3.01Å; E17-C21 PolarHBondContact O-SG 3.14Å; E17-M58 HydrophobicContact CB-CE 4.44Å; E17-M58 HydrophobicContact CB-CG 4.15Å; E17-M58 HydrophobicContact CB-SD 4.31Å; E17-M58 HydrophobicContact CG-CB 4.39Å; E17-M58 HydrophobicContact CG-CG 4.28Å; E17-M58 VanDerWaalsContact OE1-CA 3.3Å; E17-M58 WeakPolarHBondContact OE1-CA 3.2Å; E17-M59 PolarHBondContact OE1-N 3.45Å; E17-R113 IonicContact OE1-CZ 2.68Å; E17-R113 IonicContact OE1-NH1 3.36Å; E17-R113 IonicContact OE1-NH2 2.66Å; E17-R113 PolarHBondContact OE1-NH2 2.88Å; E17-R113 IonicContact OE2-CZ 3.58Å; E17-R113 VanDerWaalsContact OE2-CZ 3.28Å; E17-R113 IonicContact OE2-NH1 3.85Å; E17-R113 PolarHBondContact OE2-NH1 2.83Å; E17-R113 IonicContact OE2-NH2 3.86Å; E17-R113 PolarHBondContact OE2-NH2 3.12Å
18L82.6Confident82.7Confident141 Ų14157.6 Ų57.674%0.73830%0.298SS*.Hα-helixtrans-68.9-46.9-176.8-68.8176000111.2D16 A20 Q22D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.2Å; D16-L18 PolarHBondContact OD1-N 3.45Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-Q22 VanDerWaalsContact O-CB 3.3Å; L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 PolarHBondContact O-N 3.17Å
19L84.9Confident82.3Confident70 Ų7064.9 Ų64.937%0.36633%0.332SS..Hα-helixtrans-66.4-36.1175.5-177.660.8000111.7A11 D16 L23A11-L19 HydrophobicContact CB-CB 4.3Å; A11-L19 HydrophobicContact CB-CD2 4.19Å; A11-L19 HydrophobicContact CB-CG 4.14Å; D16-L19 HydrophobicContact CB-CB 4.18Å; D16-L19 PolarHBondContact O-N 3.36Å; D16-L19 WeakPolarHBondContact OD1-CB 3.3Å; D16-L19 PolarHBondContact OD1-N 3.16Å; D16-L19 VanDerWaalsContact OD1-N 3.1Å; D16-L19 WeakPolarHBondContact OD2-CB 3.19Å; L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.13Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.44Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CG 3.1Å; L19-L23 PolarHBondContact O-N 3.22Å
20A84.2Confident82.1Confident0 Ų062.5 Ų62.50%032%0.324CS..Hα-helixtrans-65.5-51.4176.700000111.4F8 A11 L12 D16 E17 L18 Q22 L23 Y24 L61F8-A20 HydrophobicContact CD2-CB 4.26Å; F8-A20 WeakPolarHBondContact CD2-O 3.2Å; F8-A20 HydrophobicContact CE2-CB 3.92Å; F8-A20 VanDerWaalsContact CE2-O 3.24Å; F8-A20 WeakPolarHBondContact CE2-O 3.4Å; A11-A20 HydrophobicContact CB-CB 3.93Å; L12-A20 HydrophobicContact CD2-CB 4.29Å; D16-A20 WeakPolarHBondContact O-CB 3.15Å; D16-A20 PolarHBondContact O-N 3.38Å; E17-A20 PolarHBondContact O-N 2.62Å; L18-A20 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 2.88Å; A20-L23 PolarHBondContact O-N 2.83Å; A20-Y24 WeakPolarHBondContact O-CB 3.16Å; A20-Y24 PolarHBondContact O-N 3.41Å; A20-L61 HydrophobicContact CB-CD1 3.66Å
21C83.3Confident81.8Confident17 Ų1758.7 Ų58.712%0.11531%0.307CS..Hα-helixtrans-57.4-48.7175.7-64.60000110.9E17 L23 Y24 E25E17-C21 WeakPolarHBondContact O-CB 3.24Å; E17-C21 PolarHBondContact O-N 3.01Å; E17-C21 PolarHBondContact O-SG 3.14Å; C21-L23 VanDerWaalsContact C-N 3.32Å; C21-L23 PolarHBondContact O-N 3.23Å; C21-Y24 PolarHBondContact O-N 3.21Å; C21-Y24 VanDerWaalsContact O-N 3.1Å; C21-E25 WeakPolarHBondContact O-CG 3.44Å; C21-E25 PolarHBondContact O-N 2.7Å
22Q85.1Confident81.4Confident129 Ų12965.3 Ų65.360%0.60334%0.338SS*.Hα-helixtrans-59.2-41.9178.7-169.5-177.934.500112L18 A20 Y24 S26L18-Q22 VanDerWaalsContact O-CB 3.3Å; L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 PolarHBondContact O-N 3.17Å; A20-Q22 PolarHBondContact O-N 2.88Å; Q22-Y24 VanDerWaalsContact C-N 3.33Å; Q22-Y24 PolarHBondContact O-N 3.01Å; Q22-S26 WeakPolarHBondContact O-CB 3.22Å; Q22-S26 PolarHBondContact O-N 2.87Å; Q22-S26 PolarHBondContact O-OG 3.32Å
23L84.3Confident81.3Confident23 Ų2369.4 Ų69.412%0.1237%0.371CS..Hα-helixtrans-72.1-22.9178-74.1172.8000114.1K7 F8 L19 A20 C21K7-L23 HydrophobicContact CB-CD1 3.77Å; F8-L23 HydrophobicContact CB-CB 4.46Å; F8-L23 HydrophobicContact CD2-CB 4.11Å; L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.13Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.44Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CG 3.1Å; L19-L23 PolarHBondContact O-N 3.22Å; A20-L23 PolarHBondContact O-N 2.83Å; C21-L23 VanDerWaalsContact C-N 3.32Å; C21-L23 PolarHBondContact O-N 3.23Å
24Y82.8Confident81.2Confident4 Ų467.9 Ų67.92%0.01636%0.364CS..Hα-helixtrans-81.2-44.1175.1-178.5-114.8000111.7A20 C21 Q22 K31 L34 L61 F65A20-Y24 WeakPolarHBondContact O-CB 3.16Å; A20-Y24 PolarHBondContact O-N 3.41Å; C21-Y24 PolarHBondContact O-N 3.21Å; C21-Y24 VanDerWaalsContact O-N 3.1Å; Q22-Y24 VanDerWaalsContact C-N 3.33Å; Q22-Y24 PolarHBondContact O-N 3.01Å; Y24-K31 HydrophobicContact CD1-CD 4.41Å; Y24-K31 HydrophobicContact CD2-CB 4.33Å; Y24-K31 HydrophobicContact CD2-CG 4.46Å; Y24-K31 HydrophobicContact CE1-CD 3.79Å; Y24-K31 HydrophobicContact CE1-CG 4.26Å; Y24-K31 HydrophobicContact CE2-CB 4.03Å; Y24-K31 HydrophobicContact CE2-CD 4.22Å; Y24-K31 HydrophobicContact CE2-CG 3.77Å; Y24-K31 WeakPolarHBondContact OH-CE 3.22Å; Y24-L34 HydrophobicContact CD2-CD2 4.06Å; Y24-L34 HydrophobicContact CE2-CD2 3.91Å; Y24-L61 HydrophobicContact CD1-CD2 3.75Å; Y24-L61 HydrophobicContact CE1-CD2 4.39Å; Y24-L61 HydrophobicContact CG-CD2 3.99Å; Y24-F65 HydrophobicContact CD2-CE1 4.38Å; Y24-F65 AromaticContact CE2-CE1 3.86Å; Y24-F65 HydrophobicContact CE2-CE1 3.86Å; Y24-F65 AromaticContact CZ-CE1 3.97Å
25E82.6Confident81.3Confident143 Ų14365.7 Ų65.767%0.66835%0.352SS*.Hα-helixtrans-75.2-37.5179.5-67.5174.3177.700112.9C21 N27C21-E25 WeakPolarHBondContact O-CG 3.44Å; C21-E25 PolarHBondContact O-N 2.7Å; E25-N27 PolarHBondContact O-N 3.04Å
26S82.9Confident81.4Confident83 Ų8365.6 Ų65.658%0.5835%0.35SS*.THydrogen-bonded Turntrans-73.4-5.9-17558.30000115.2Q22Q22-S26 WeakPolarHBondContact O-CB 3.22Å; Q22-S26 PolarHBondContact O-N 2.87Å; Q22-S26 PolarHBondContact O-OG 3.32Å
27N83.1Confident81.4Confident37 Ų3764.4 Ų64.420%0.19834%0.344CS..  trans-137.296.6-178.7-173.9-24.2000111.8E25 Q29 F30 K31E25-N27 PolarHBondContact O-N 3.04Å; N27-Q29 VanDerWaalsContact C-N 3.34Å; N27-Q29 PolarHBondContact O-N 3.29Å; N27-Q29 PolarHBondContact OD1-N 2.95Å; N27-F30 HydrophobicContact CB-CB 3.94Å; N27-F30 PolarHBondContact O-N 3.43Å; N27-F30 VanDerWaalsContact O-N 3.12Å; N27-F30 PolarHBondContact OD1-N 3.07Å; N27-K31 PolarHBondContact O-N 2.89Å
28P77.3Confident81.6Confident85 Ų8565.5 Ų65.555%0.55236%0.357SS*.Hα-helixtrans-64.7-35.5-176.725-33.7000112.9F30 K31 E32P28-F30 VanDerWaalsContact C-N 3.25Å; P28-F30 PolarHBondContact O-N 3.26Å; P28-K31 CarbonylContact O-C 3.5Å; P28-K31 PolarHBondContact O-N 2.8Å; P28-E32 WeakPolarHBondContact O-CB 3.3Å; P28-E32 WeakPolarHBondContact O-CG 3.39Å; P28-E32 PolarHBondContact O-N 3.41Å
29Q76.8Confident81.7Confident153 Ų15362 Ų6272%0.71534%0.342SS*.Hα-helixtrans-63.7-33.2176.3-65.6178.6-18.200111.9N27 A33N27-Q29 VanDerWaalsContact C-N 3.34Å; N27-Q29 PolarHBondContact O-N 3.29Å; N27-Q29 PolarHBondContact OD1-N 2.95Å; Q29-A33 WeakPolarHBondContact O-CB 3.41Å; Q29-A33 PolarHBondContact O-N 3.47Å; Q29-A33 VanDerWaalsContact O-N 3.1Å
30F80.2Confident81.6Confident21 Ų2160.3 Ų60.39%0.09233%0.331CS..Hα-helixtrans-75.8-39.1173.1179.4-113.7000112.2A5 F8 N27 P28 E32 A33 L34A5-F30 HydrophobicContact CB-CD2 4.15Å; A5-F30 HydrophobicContact CB-CE2 3.55Å; A5-F30 HydrophobicContact CB-CZ 4.29Å; F8-F30 HydrophobicContact CB-CE1 3.81Å; F8-F30 HydrophobicContact CB-CZ 3.89Å; F8-F30 AromaticContact CD1-CE1 3.71Å; F8-F30 HydrophobicContact CD1-CE1 3.71Å; F8-F30 AromaticContact CD1-CZ 3.54Å; F8-F30 HydrophobicContact CD1-CZ 3.54Å; F8-F30 HydrophobicContact CD2-CE1 4.09Å; F8-F30 HydrophobicContact CE1-CE1 4.29Å; F8-F30 HydrophobicContact CE1-CZ 4.24Å; F8-F30 AromaticContact CG-CE1 3.58Å; F8-F30 HydrophobicContact CG-CE1 3.58Å; F8-F30 AromaticContact CG-CZ 3.79Å; F8-F30 HydrophobicContact CG-CZ 3.79Å; N27-F30 HydrophobicContact CB-CB 3.94Å; N27-F30 PolarHBondContact O-N 3.43Å; N27-F30 VanDerWaalsContact O-N 3.12Å; N27-F30 PolarHBondContact OD1-N 3.07Å; P28-F30 VanDerWaalsContact C-N 3.25Å; P28-F30 PolarHBondContact O-N 3.26Å; F30-E32 VanDerWaalsContact C-N 3.3Å; F30-E32 PolarHBondContact O-N 3.02Å; F30-A33 PolarHBondContact O-N 3.33Å; F30-L34 HydrophobicContact CE1-CD2 4.45Å; F30-L34 HydrophobicContact CE2-CD1 4.41Å; F30-L34 HydrophobicContact CZ-CD1 4.18Å; F30-L34 HydrophobicContact CZ-CD2 4.25Å; F30-L34 WeakPolarHBondContact O-CB 3.15Å; F30-L34 PolarHBondContact O-N 2.87Å
31K78.4Confident81.5Confident63 Ų6361.3 Ų61.327%0.27434%0.34SS..Hα-helixtrans-61.7-36.7171.7176.5162.5-178.9172.10111.9Y24 N27 P28 D68 K69Y24-K31 HydrophobicContact CD1-CD 4.41Å; Y24-K31 HydrophobicContact CD2-CB 4.33Å; Y24-K31 HydrophobicContact CD2-CG 4.46Å; Y24-K31 HydrophobicContact CE1-CD 3.79Å; Y24-K31 HydrophobicContact CE1-CG 4.26Å; Y24-K31 HydrophobicContact CE2-CB 4.03Å; Y24-K31 HydrophobicContact CE2-CD 4.22Å; Y24-K31 HydrophobicContact CE2-CG 3.77Å; Y24-K31 WeakPolarHBondContact OH-CE 3.22Å; N27-K31 PolarHBondContact O-N 2.89Å; P28-K31 CarbonylContact O-C 3.5Å; P28-K31 PolarHBondContact O-N 2.8Å; K31-D68 WeakPolarHBondContact CE-OD2 3.09Å; K31-D68 IonicContact NZ-OD2 2.65Å; K31-D68 PolarHBondContact NZ-OD2 3.27Å; K31-K69 WeakPolarHBondContact O-CE 3.48Å; K31-K69 PolarHBondContact O-NZ 3.35Å
32E76.8Confident81.1Confident144 Ų14468.5 Ų68.567%0.67337%0.372SS*.Hα-helixtrans-66.1-50.6174.1-77.6172.7-172.200111.7P28 F30 L34 K69P28-E32 WeakPolarHBondContact O-CB 3.3Å; P28-E32 WeakPolarHBondContact O-CG 3.39Å; P28-E32 PolarHBondContact O-N 3.41Å; F30-E32 VanDerWaalsContact C-N 3.3Å; F30-E32 PolarHBondContact O-N 3.02Å; E32-L34 PolarHBondContact O-N 2.86Å; E32-K69 PolarHBondContact O-NZ 3.02Å
33A79.6Confident80.9Confident85 Ų8567.4 Ų67.470%0.70238%0.379SS*.Hα-helixtrans-80.4-4.8-17400000116.1Q29 F30Q29-A33 WeakPolarHBondContact O-CB 3.41Å; Q29-A33 PolarHBondContact O-N 3.47Å; Q29-A33 VanDerWaalsContact O-N 3.1Å; F30-A33 PolarHBondContact O-N 3.33Å
34L81.8Confident80.6Confident19 Ų1970 Ų7010%0.09939%0.388CS..  trans-85.1115.6176.5-176.467.7000111.3F8 Y24 F30 E32 P49 F65F8-L34 HydrophobicContact CD1-CD2 4.46Å; F8-L34 HydrophobicContact CE1-CD2 3.7Å; F8-L34 HydrophobicContact CZ-CD2 4.18Å; Y24-L34 HydrophobicContact CD2-CD2 4.06Å; Y24-L34 HydrophobicContact CE2-CD2 3.91Å; F30-L34 HydrophobicContact CE1-CD2 4.45Å; F30-L34 HydrophobicContact CE2-CD1 4.41Å; F30-L34 HydrophobicContact CZ-CD1 4.18Å; F30-L34 HydrophobicContact CZ-CD2 4.25Å; F30-L34 WeakPolarHBondContact O-CB 3.15Å; F30-L34 PolarHBondContact O-N 2.87Å; E32-L34 PolarHBondContact O-N 2.86Å; L34-P49 HydrophobicContact CD1-CG 4.25Å; L34-F65 HydrophobicContact CD2-CE1 3.75Å; L34-F65 HydrophobicContact CD2-CZ 3.87Å
35D81.1Confident80.5Confident76 Ų7672.6 Ų72.641%0.40640%0.4SS..  trans-92.5120.1166.8172.121.5000110.4N37 A38D35-N37 PolarHBondContact O-N 3.08Å; D35-N37 VanDerWaalsContact OD1-CB 3.26Å; D35-N37 WeakPolarHBondContact OD1-CB 3.37Å; D35-N37 PolarHBondContact OD1-N 3.13Å; D35-N37 PolarHBondContact OD1-ND2 2.93Å; D35-A38 HydrophobicContact CB-CB 4.12Å; D35-A38 WeakPolarHBondContact OD2-CB 3.31Å; D35-A38 PolarHBondContact OD2-N 2.68Å; D35-A38 VanDerWaalsContact OD2-N 3.11Å
36P79.8Confident80.6Confident1 Ų168.7 Ų68.71%0.00638%0.382CS..THydrogen-bonded Turntrans-67.6-17.1174.6-18.431.8000114.8T48 P49 F65 K69P36-T48 VanDerWaalsContact O-CB 3.3Å; P36-T48 WeakPolarHBondContact O-CB 3.17Å; P36-T48 PolarHBondContact O-OG1 2.06Å; P36-P49 WeakPolarHBondContact O-CD 3.05Å; P36-F65 HydrophobicContact CB-CB 4.01Å; P36-F65 HydrophobicContact CB-CD2 4.42Å; P36-F65 HydrophobicContact CB-CG 4.14Å; P36-F65 HydrophobicContact CG-CB 3.92Å; P36-F65 HydrophobicContact CG-CD1 4.14Å; P36-F65 HydrophobicContact CG-CG 4.04Å; P36-K69 HydrophobicContact CG-CB 3.66Å; P36-K69 HydrophobicContact CG-CG 4.45Å
37N82.4Confident80.7Confident37 Ų3765 Ų6520%0.19836%0.356CS..THydrogen-bonded Turntrans-89.1-19-178-60.6-71.9000113.1D35 T39 D70 N72D35-N37 PolarHBondContact O-N 3.08Å; D35-N37 VanDerWaalsContact OD1-CB 3.26Å; D35-N37 WeakPolarHBondContact OD1-CB 3.37Å; D35-N37 PolarHBondContact OD1-N 3.13Å; D35-N37 PolarHBondContact OD1-ND2 2.93Å; N37-T39 PolarHBondContact O-N 3.31Å; N37-D70 PolarHBondContact ND2-O 3.23Å; N37-D70 VanDerWaalsContact ND2-O 3.07Å; N37-N72 WeakPolarHBondContact OD1-CB 3.44Å; N37-N72 PolarHBondContact OD1-N 3.5Å
38A84.6Confident80.9Confident45 Ų4563.4 Ų63.437%0.37235%0.347SS..  trans-67.7118.2-18000000111.8D35 P49D35-A38 HydrophobicContact CB-CB 4.12Å; D35-A38 WeakPolarHBondContact OD2-CB 3.31Å; D35-A38 PolarHBondContact OD2-N 2.68Å; D35-A38 VanDerWaalsContact OD2-N 3.11Å; A38-P49 WeakPolarHBondContact O-CD 2.49Å
39T84.1Confident81.3Confident68 Ų6859.4 Ų59.442%0.41732%0.321SS..  trans-66.1140.9174.472.10000110.6N37 G41 H46 T48N37-T39 PolarHBondContact O-N 3.31Å; T39-G41 PolarHBondContact O-N 3.46Å; T39-H46 VanDerWaalsContact CB-O 3.23Å; T39-H46 WeakPolarHBondContact CB-O 3.12Å; T39-H46 HydrophobicContact CG2-CB 4.03Å; T39-H46 VanDerWaalsContact CG2-O 3.29Å; T39-H46 WeakPolarHBondContact CG2-O 3.31Å; T39-H46 PolarHBondContact OG1-ND1 3.11Å; T39-T48 HydrophobicContact CG2-CG2 4.2Å
40Y83.1Confident81.7Confident34 Ų3452.2 Ų52.213%0.13329%0.287CS..  trans-751.3174.1-68-38.9000114.6R9 Y44 N47 P49 Y52R9-Y40 HydrophobicContact CG-CD2 4.03Å; R9-Y40 HydrophobicContact CG-CE1 4.41Å; R9-Y40 HydrophobicContact CG-CE2 3.68Å; Y40-Y44 WeakPolarHBondContact O-CD2 2.95Å; Y40-N47 PolarHBondContact N-O 3.07Å; Y40-P49 HydrophobicContact CE1-CG 4.05Å; Y40-P49 HydrophobicContact CE2-CG 4.43Å; Y40-Y52 HydrophobicContact CD2-CD2 4.13Å; Y40-Y52 AromaticContact CD2-CE2 3.91Å; Y40-Y52 HydrophobicContact CD2-CE2 3.91Å; Y40-Y52 HydrophobicContact CE2-CD2 4.04Å; Y40-Y52 HydrophobicContact CE2-CE2 4.28Å
41G81.4Confident82Confident20 Ų2051.2 Ų51.221%0.20628%0.283CS..  trans94179.4175.700000114.7T39 S43 Y44 Q45 H46T39-G41 PolarHBondContact O-N 3.46Å; G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.42Å; G41-Y44 CarbonylContact O-C 3.39Å; G41-Y44 PolarHBondContact O-N 3.36Å; G41-Q45 PolarHBondContact O-N 2.93Å; G41-H46 PolarHBondContact O-N 3.38Å
42E75.9Confident82.3Confident169 Ų16949.1 Ų49.179%0.7927%0.274SS*.G310 helixtrans-52.2-43.3-174.5-64.9171.6-172.800113.2Y44 Q45 H46E42-Y44 PolarHBondContact O-N 3.49Å; E42-Q45 PolarHBondContact O-N 2.97Å; E42-H46 VanDerWaalsContact CG-NE2 3.35Å; E42-H46 WeakPolarHBondContact CG-NE2 3.45Å; E42-H46 PolarHBondContact N-NE2 2.82Å
43S79.4Confident82.8Confident106 Ų10642.3 Ų42.374%0.74124%0.242SC*.G310 helixtrans-66.3-4.5179.9580000115G41G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.42Å
44Y78.2Confident83.1Confident77 Ų7738.2 Ų38.230%0.30221%0.208SC..G310 helixtrans-128.125.3173-61.5-78000111.7I13 Y40 G41 E42 H46 N47I13-Y44 HydrophobicContact CD1-CD1 3.77Å; I13-Y44 HydrophobicContact CD1-CE1 3.53Å; Y40-Y44 WeakPolarHBondContact O-CD2 2.95Å; G41-Y44 CarbonylContact O-C 3.39Å; G41-Y44 PolarHBondContact O-N 3.36Å; E42-Y44 PolarHBondContact O-N 3.49Å; Y44-H46 PolarHBondContact O-N 2.82Å; Y44-H46 VanDerWaalsContact O-N 3.14Å; Y44-N47 WeakPolarHBondContact O-CB 3.36Å; Y44-N47 PolarHBondContact O-N 3.39Å; Y44-N47 PolarHBondContact O-ND2 3.29Å
45Q81.4Confident83.2Confident59 Ų5939.5 Ų39.528%0.27621%0.211SC..THydrogen-bonded Turntrans55.827.7-179.4-53.4156.9-37.800113.4G41 E42 N47 V78 H79G41-Q45 PolarHBondContact O-N 2.93Å; E42-Q45 PolarHBondContact O-N 2.97Å; Q45-N47 PolarHBondContact O-N 2.86Å; Q45-N47 VanDerWaalsContact O-N 3.13Å; Q45-N47 PolarHBondContact OE1-ND2 3.45Å; Q45-V78 HydrophobicContact CB-CB 4.36Å; Q45-V78 WeakPolarHBondContact O-CG2 3.45Å; Q45-V78 PolarHBondContact O-N 3.38Å; Q45-V78 VanDerWaalsContact O-N 3.09Å; Q45-H79 WeakPolarHBondContact CG-NE2 3.18Å; Q45-H79 PolarHBondContact NE2-NE2 3.36Å; Q45-H79 PolarHBondContact OE1-NE2 2.88Å
46H83.6Confident83.2Confident61 Ų6137 Ų3728%0.28220%0.197SC..THydrogen-bonded Turntrans56.515.4-170.8-69.3-96.4000116.3T39 G41 E42 Y44 T48 V78T39-H46 VanDerWaalsContact CB-O 3.23Å; T39-H46 WeakPolarHBondContact CB-O 3.12Å; T39-H46 HydrophobicContact CG2-CB 4.03Å; T39-H46 VanDerWaalsContact CG2-O 3.29Å; T39-H46 WeakPolarHBondContact CG2-O 3.31Å; T39-H46 PolarHBondContact OG1-ND1 3.11Å; G41-H46 PolarHBondContact O-N 3.38Å; E42-H46 VanDerWaalsContact CG-NE2 3.35Å; E42-H46 WeakPolarHBondContact CG-NE2 3.45Å; E42-H46 PolarHBondContact N-NE2 2.82Å; Y44-H46 PolarHBondContact O-N 2.82Å; Y44-H46 VanDerWaalsContact O-N 3.14Å; H46-T48 PolarHBondContact O-N 3.13Å; H46-V78 HydrophobicContact CB-CG2 4.17Å
47N84.9Confident83.4Confident6 Ų636.9 Ų36.93%0.03220%0.197CC..  trans-56.2136.2172-70.8-63.7000111Y40 Y44 Q45 H51 Y52 N77Y40-N47 PolarHBondContact N-O 3.07Å; Y44-N47 WeakPolarHBondContact O-CB 3.36Å; Y44-N47 PolarHBondContact O-N 3.39Å; Y44-N47 PolarHBondContact O-ND2 3.29Å; Q45-N47 PolarHBondContact O-N 2.86Å; Q45-N47 VanDerWaalsContact O-N 3.13Å; Q45-N47 PolarHBondContact OE1-ND2 3.45Å; N47-H51 HydrophobicContact CB-CB 4.02Å; N47-Y52 HydrophobicContact CB-CD2 4.08Å; N47-Y52 HydrophobicContact CB-CE2 3.38Å; N47-N77 PolarHBondContact OD1-ND2 2.85Å
48T87.4Confident83.5Confident3 Ų335.1 Ų35.12%0.01819%0.187CC..  trans-89.5169.4176.878.20000111P36 T39 H46 L50 H51 Y52P36-T48 VanDerWaalsContact O-CB 3.3Å; P36-T48 WeakPolarHBondContact O-CB 3.17Å; P36-T48 PolarHBondContact O-OG1 2.06Å; T39-T48 HydrophobicContact CG2-CG2 4.2Å; H46-T48 PolarHBondContact O-N 3.13Å; T48-L50 PolarHBondContact O-N 3.35Å; T48-L50 PolarHBondContact OG1-N 2.65Å; T48-H51 PolarHBondContact N-ND1 3.11Å; T48-H51 WeakPolarHBondContact O-CB 3.18Å; T48-H51 PolarHBondContact O-N 3.48Å; T48-H51 PolarHBondContact OG1-N 3.35Å; T48-H51 PolarHBondContact OG1-ND1 2.93Å; T48-Y52 PolarHBondContact O-N 3.5Å
49P85.7Confident83.4Confident1 Ų134.9 Ų34.91%0.00618%0.179CC..Hα-helixtrans-51.2-37169.7-25.529.9000113.6L12 L34 P36 A38 Y40 Y52 A53 F65L12-P49 HydrophobicContact CD1-CB 4.25Å; L34-P49 HydrophobicContact CD1-CG 4.25Å; P36-P49 WeakPolarHBondContact O-CD 3.05Å; A38-P49 WeakPolarHBondContact O-CD 2.49Å; Y40-P49 HydrophobicContact CE1-CG 4.05Å; Y40-P49 HydrophobicContact CE2-CG 4.43Å; P49-Y52 PolarHBondContact O-N 2.91Å; P49-A53 PolarHBondContact O-N 2.62Å; P49-A53 VanDerWaalsContact O-N 3.08Å; P49-F65 HydrophobicContact CB-CE2 3.87Å; P49-F65 HydrophobicContact CB-CZ 4.27Å
50L86.2Confident83.4Confident1 Ų134.5 Ų34.51%0.00518%0.179CC..Hα-helixtrans-66.6-39.3-179.8-165.268.9000112.2T48 Y52 A53 A54 L62 F65 L66 P73T48-L50 PolarHBondContact O-N 3.35Å; T48-L50 PolarHBondContact OG1-N 2.65Å; L50-Y52 PolarHBondContact O-N 3.24Å; L50-A53 PolarHBondContact O-N 3.49Å; L50-A54 WeakPolarHBondContact O-CB 2.89Å; L50-A54 PolarHBondContact O-N 3.03Å; L50-L62 HydrophobicContact CD1-CD2 3.84Å; L50-F65 HydrophobicContact CD1-CB 3.86Å; L50-F65 HydrophobicContact CD1-CD2 4.15Å; L50-L66 HydrophobicContact CD1-CD2 3.98Å; L50-L66 HydrophobicContact CD1-CG 4.13Å; L50-L66 HydrophobicContact CD2-CD2 4.05Å; L50-P73 HydrophobicContact CD2-CB 4.29Å
51H86.3Confident83.4Confident0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-59.3-45.9176.4-75.474.8000112N47 T48 A54 R55 K75 E81 L86N47-H51 HydrophobicContact CB-CB 4.02Å; T48-H51 PolarHBondContact N-ND1 3.11Å; T48-H51 WeakPolarHBondContact O-CB 3.18Å; T48-H51 PolarHBondContact O-N 3.48Å; T48-H51 PolarHBondContact OG1-N 3.35Å; T48-H51 PolarHBondContact OG1-ND1 2.93Å; H51-A54 PolarHBondContact O-N 3.28Å; H51-R55 PolarHBondContact O-N 3.18Å; H51-K75 PolarHBondContact CE1-O 2.74Å; H51-K75 PolarHBondContact NE2-O 3.34Å; H51-E81 PolarHBondContact NE2-O 2.86Å; H51-L86 HydrophobicContact CB-CD1 3.54Å; H51-L86 WeakPolarHBondContact O-CD1 2.4Å
52Y84.9Confident83.5Confident20 Ų2032 Ų328%0.07816%0.163CC..Hα-helixtrans-71.4-35.2177.7-71.8-71000112.9I13 Y40 N47 T48 P49 L50 A54 H56I13-Y52 HydrophobicContact CG1-CD1 4.01Å; I13-Y52 HydrophobicContact CG1-CD2 4.38Å; I13-Y52 HydrophobicContact CG1-CE1 3.85Å; I13-Y52 HydrophobicContact CG1-CE2 4.21Å; I13-Y52 HydrophobicContact CG1-CG 4.29Å; Y40-Y52 HydrophobicContact CD2-CD2 4.13Å; Y40-Y52 AromaticContact CD2-CE2 3.91Å; Y40-Y52 HydrophobicContact CD2-CE2 3.91Å; Y40-Y52 HydrophobicContact CE2-CD2 4.04Å; Y40-Y52 HydrophobicContact CE2-CE2 4.28Å; N47-Y52 HydrophobicContact CB-CD2 4.08Å; N47-Y52 HydrophobicContact CB-CE2 3.38Å; T48-Y52 PolarHBondContact O-N 3.5Å; P49-Y52 PolarHBondContact O-N 2.91Å; L50-Y52 PolarHBondContact O-N 3.24Å; Y52-A54 VanDerWaalsContact C-N 3.3Å; Y52-A54 PolarHBondContact O-N 2.86Å; Y52-H56 PolarHBondContact O-CD2 3.45Å; Y52-H56 PolarHBondContact O-N 2.84Å
53A86.7Confident83.9Confident0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-64-36.3172.800000111.9P49 L50 A57 M58 L62 F65P49-A53 PolarHBondContact O-N 2.62Å; P49-A53 VanDerWaalsContact O-N 3.08Å; L50-A53 PolarHBondContact O-N 3.49Å; A53-A57 PolarHBondContact O-N 3.13Å; A53-M58 HydrophobicContact CB-CB 4.34Å; A53-M58 PolarHBondContact O-N 3.2Å; A53-L62 HydrophobicContact CB-CD2 3.79Å; A53-L62 HydrophobicContact CB-CG 4.04Å; A53-F65 HydrophobicContact CB-CD2 4.38Å; A53-F65 HydrophobicContact CB-CE2 4.25Å
54A86.3Confident84.1Confident0 Ų025.1 Ų25.10%012%0.117CC..Hα-helixtrans-70.1-49.6176.400000113L50 H51 Y52 H56 A57 L62 S83 L86 L87L50-A54 WeakPolarHBondContact O-CB 2.89Å; L50-A54 PolarHBondContact O-N 3.03Å; H51-A54 PolarHBondContact O-N 3.28Å; Y52-A54 VanDerWaalsContact C-N 3.3Å; Y52-A54 PolarHBondContact O-N 2.86Å; A54-H56 PolarHBondContact O-N 2.76Å; A54-H56 VanDerWaalsContact O-N 3.11Å; A54-A57 PolarHBondContact O-N 3.42Å; A54-L62 HydrophobicContact CB-CD2 4.39Å; A54-S83 VanDerWaalsContact CB-O 3.31Å; A54-S83 WeakPolarHBondContact CB-O 3.06Å; A54-L86 HydrophobicContact CB-CB 4.48Å; A54-L87 HydrophobicContact CB-CB 4.27Å; A54-L87 WeakPolarHBondContact O-CD1 3.44Å
55R83.8Confident84.4Confident45 Ų4521.5 Ų21.517%0.1710%0.102CC..Hα-helixtrans-51.7-36.5178.1-175.8172.2173.7154.9-1.6113.2H51 L86 L94 R114H51-R55 PolarHBondContact O-N 3.18Å; R55-L86 HydrophobicContact CB-CB 4.21Å; R55-L94 HydrophobicContact CG-CD1 3.98Å; R55-L94 HydrophobicContact CG-CD2 4.41Å; R55-R114 PolarHBondContact O-NH2 3.09Å
56H81.4Confident84.5Confident23 Ų2319.2 Ų19.211%0.1069%0.092CC..THydrogen-bonded Turntrans-102.310.1-178.3-66.3-66.7000114.3L12 I13 G15 Y52 A54 M58L12-H56 PolarHBondContact O-CD2 3.31Å; L12-H56 PolarHBondContact O-NE2 2.73Å; I13-H56 PolarHBondContact O-NE2 3.27Å; G15-H56 PolarHBondContact N-NE2 3.13Å; Y52-H56 PolarHBondContact O-CD2 3.45Å; Y52-H56 PolarHBondContact O-N 2.84Å; A54-H56 PolarHBondContact O-N 2.76Å; A54-H56 VanDerWaalsContact O-N 3.11Å; H56-M58 VanDerWaalsContact C-N 3.3Å; H56-M58 HydrophobicContact CB-CE 3.74Å; H56-M58 HydrophobicContact CB-CG 3.94Å; H56-M58 PolarHBondContact O-N 2.88Å
57A83.8Confident84.3Confident0 Ų022 Ų220%011%0.108CC..THydrogen-bonded Turntrans47.845.1-179.800000114.2A53 A54 M59 L87 R113 R114A53-A57 PolarHBondContact O-N 3.13Å; A54-A57 PolarHBondContact O-N 3.42Å; A57-M59 PolarHBondContact O-N 3.32Å; A57-L87 HydrophobicContact CB-CD1 4.09Å; A57-R113 PolarHBondContact O-NH2 2.98Å; A57-R114 HydrophobicContact CB-CG 3.81Å
58M84.4Confident84Confident0 Ų026 Ų260%013%0.13CC..  trans-80.277.3-175-63.2-168.2-178.900112.1L12 G15 E17 A53 H56 C60 L61 L62L12-M58 HydrophobicContact CD2-CE 4.4Å; L12-M58 HydrophobicContact CD2-SD 3.66Å; G15-M58 VanDerWaalsContact C-CE 3.45Å; G15-M58 VanDerWaalsContact CA-CE 3.48Å; E17-M58 HydrophobicContact CB-CE 4.44Å; E17-M58 HydrophobicContact CB-CG 4.15Å; E17-M58 HydrophobicContact CB-SD 4.31Å; E17-M58 HydrophobicContact CG-CB 4.39Å; E17-M58 HydrophobicContact CG-CG 4.28Å; E17-M58 VanDerWaalsContact OE1-CA 3.3Å; E17-M58 WeakPolarHBondContact OE1-CA 3.2Å; A53-M58 HydrophobicContact CB-CB 4.34Å; A53-M58 PolarHBondContact O-N 3.2Å; H56-M58 VanDerWaalsContact C-N 3.3Å; H56-M58 HydrophobicContact CB-CE 3.74Å; H56-M58 HydrophobicContact CB-CG 3.94Å; H56-M58 PolarHBondContact O-N 2.88Å; M58-C60 VanDerWaalsContact C-N 3.34Å; M58-C60 PolarHBondContact O-N 2.87Å; M58-L61 HydrophobicContact CB-CB 4.34Å; M58-L61 PolarHBondContact O-N 2.98Å; M58-L61 VanDerWaalsContact O-N 3.11Å; M58-L61 HydrophobicContact SD-CD1 3.92Å; M58-L62 WeakPolarHBondContact O-CG 2.12Å; M58-L62 PolarHBondContact O-N 2.94Å
59M83Confident83.5Confident39 Ų3928.4 Ų28.419%0.19214%0.139CC..Hα-helixtrans-52-44.7-168.5-178.5174.759.100114.2E17 A57 L61 L62 R63 E116 I120E17-M59 PolarHBondContact OE1-N 3.45Å; A57-M59 PolarHBondContact O-N 3.32Å; M59-L61 PolarHBondContact O-N 3.47Å; M59-L62 PolarHBondContact O-N 3Å; M59-R63 WeakPolarHBondContact O-CG 3.43Å; M59-R63 PolarHBondContact O-N 2.7Å; M59-R63 PolarHBondContact SD-NH1 3.12Å; M59-R63 PolarHBondContact SD-NH2 2.76Å; M59-E116 HydrophobicContact SD-CB 4.3Å; M59-I120 HydrophobicContact CG-CD1 3.83Å; M59-I120 HydrophobicContact SD-CD1 4.38Å
60C83.3Confident83.2Confident61 Ų6134.6 Ų34.641%0.41217%0.173SC..Hα-helixtrans-66.3-37.5-177.1-62.70000112.5M58 S64M58-C60 VanDerWaalsContact C-N 3.34Å; M58-C60 PolarHBondContact O-N 2.87Å; C60-S64 WeakPolarHBondContact O-CB 3.4Å; C60-S64 PolarHBondContact O-N 2.79Å; C60-S64 VanDerWaalsContact O-N 3.12Å; C60-S64 PolarHBondContact O-OG 3.46Å
61L83.5Confident83Confident2 Ų234.6 Ų34.61%0.0117%0.172CC..Hα-helixtrans-77-37.1176.5-65.2177.6000111.6F8 L12 A20 Y24 M58 M59 S64 F65F8-L61 HydrophobicContact CE2-CD1 4.25Å; F8-L61 HydrophobicContact CZ-CD1 4.29Å; L12-L61 HydrophobicContact CD2-CD1 3.76Å; A20-L61 HydrophobicContact CB-CD1 3.66Å; Y24-L61 HydrophobicContact CD1-CD2 3.75Å; Y24-L61 HydrophobicContact CE1-CD2 4.39Å; Y24-L61 HydrophobicContact CG-CD2 3.99Å; M58-L61 HydrophobicContact CB-CB 4.34Å; M58-L61 PolarHBondContact O-N 2.98Å; M58-L61 VanDerWaalsContact O-N 3.11Å; M58-L61 HydrophobicContact SD-CD1 3.92Å; M59-L61 PolarHBondContact O-N 3.47Å; L61-S64 PolarHBondContact O-N 3.3Å; L61-F65 HydrophobicContact CB-CE2 4.32Å; L61-F65 HydrophobicContact CB-CZ 4.4Å; L61-F65 VanDerWaalsContact O-CB 3.31Å; L61-F65 WeakPolarHBondContact O-CB 3.23Å; L61-F65 WeakPolarHBondContact O-CG 3.3Å; L61-F65 PolarHBondContact O-N 2.88Å
62L84.1Confident82.9Confident0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-60.2-48.2173.4-73170.4000111.5L50 A53 A54 M58 M59 S64 F65 L66 C117L50-L62 HydrophobicContact CD1-CD2 3.84Å; A53-L62 HydrophobicContact CB-CD2 3.79Å; A53-L62 HydrophobicContact CB-CG 4.04Å; A54-L62 HydrophobicContact CB-CD2 4.39Å; M58-L62 WeakPolarHBondContact O-CG 2.12Å; M58-L62 PolarHBondContact O-N 2.94Å; M59-L62 PolarHBondContact O-N 3Å; L62-S64 PolarHBondContact O-N 3.04Å; L62-F65 PolarHBondContact O-N 2.79Å; L62-L66 WeakPolarHBondContact O-CB 2.11Å; L62-L66 WeakPolarHBondContact O-CD1 3.06Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.23Å; L62-C117 HydrophobicContact CD1-CB 3.77Å
63R84.1Confident82.9Confident108 Ų10835.1 Ų35.141%0.40818%0.177SC..Hα-helixtrans-57.2-48.9173.1-71.6-175.6177.1142.57.5111.2M59 F65 L66 I67 I120M59-R63 WeakPolarHBondContact O-CG 3.43Å; M59-R63 PolarHBondContact O-N 2.7Å; M59-R63 PolarHBondContact SD-NH1 3.12Å; M59-R63 PolarHBondContact SD-NH2 2.76Å; R63-F65 VanDerWaalsContact C-N 3.35Å; R63-F65 PolarHBondContact O-N 2.88Å; R63-L66 PolarHBondContact O-N 2.86Å; R63-I67 HydrophobicContact CB-CD1 4.43Å; R63-I67 VanDerWaalsContact O-CB 3.28Å; R63-I67 WeakPolarHBondContact O-CB 2.12Å; R63-I67 WeakPolarHBondContact O-CG1 2.12Å; R63-I67 PolarHBondContact O-N 2.92Å; R63-I120 HydrophobicContact CG-CD1 3.68Å; R63-I120 HydrophobicContact CG-CG1 4.24Å; R63-I120 HydrophobicContact CG-CG2 4.15Å; R63-I120 VanDerWaalsContact NE-CD1 3.32Å
64S83.3Confident82.9Confident22 Ų2236.1 Ų36.115%0.15418%0.182CC..Hα-helixtrans-61.5-39179.9-57.80000113.3C60 L61 L62 D68C60-S64 WeakPolarHBondContact O-CB 3.4Å; C60-S64 PolarHBondContact O-N 2.79Å; C60-S64 VanDerWaalsContact O-N 3.12Å; C60-S64 PolarHBondContact O-OG 3.46Å; L61-S64 PolarHBondContact O-N 3.3Å; L62-S64 PolarHBondContact O-N 3.04Å; S64-D68 VanDerWaalsContact O-CB 3.26Å; S64-D68 WeakPolarHBondContact O-CB 2.12Å; S64-D68 PolarHBondContact O-N 3.24Å
65F84.3Confident82.8Confident0 Ų040.8 Ų40.80%020%0.202CC..Hα-helixtrans-77.2-33.8-177.6-68.2-11.3000113.1F8 Y24 L34 P36 P49 L50 A53 L61 L62 R63 K69 G71F8-F65 HydrophobicContact CE1-CZ 4.33Å; F8-F65 AromaticContact CZ-CZ 3.95Å; F8-F65 HydrophobicContact CZ-CZ 3.95Å; Y24-F65 HydrophobicContact CD2-CE1 4.38Å; Y24-F65 AromaticContact CE2-CE1 3.86Å; Y24-F65 HydrophobicContact CE2-CE1 3.86Å; Y24-F65 AromaticContact CZ-CE1 3.97Å; L34-F65 HydrophobicContact CD2-CE1 3.75Å; L34-F65 HydrophobicContact CD2-CZ 3.87Å; P36-F65 HydrophobicContact CB-CB 4.01Å; P36-F65 HydrophobicContact CB-CD2 4.42Å; P36-F65 HydrophobicContact CB-CG 4.14Å; P36-F65 HydrophobicContact CG-CB 3.92Å; P36-F65 HydrophobicContact CG-CD1 4.14Å; P36-F65 HydrophobicContact CG-CG 4.04Å; P49-F65 HydrophobicContact CB-CE2 3.87Å; P49-F65 HydrophobicContact CB-CZ 4.27Å; L50-F65 HydrophobicContact CD1-CB 3.86Å; L50-F65 HydrophobicContact CD1-CD2 4.15Å; A53-F65 HydrophobicContact CB-CD2 4.38Å; A53-F65 HydrophobicContact CB-CE2 4.25Å; L61-F65 HydrophobicContact CB-CE2 4.32Å; L61-F65 HydrophobicContact CB-CZ 4.4Å; L61-F65 VanDerWaalsContact O-CB 3.31Å; L61-F65 WeakPolarHBondContact O-CB 3.23Å; L61-F65 WeakPolarHBondContact O-CG 3.3Å; L61-F65 PolarHBondContact O-N 2.88Å; L62-F65 PolarHBondContact O-N 2.79Å; R63-F65 VanDerWaalsContact C-N 3.35Å; R63-F65 PolarHBondContact O-N 2.88Å; F65-K69 CarbonylContact O-C 3.6Å; F65-G71 WeakPolarHBondContact O-CA 3.12Å; F65-G71 PolarHBondContact O-N 2.89Å
66L82.9Confident83Confident11 Ų1143.5 Ų43.56%0.05821%0.213CC..Hα-helixtrans-84.7-25.1-179-64.1167.7000112.8L50 L62 R63 G71 I120 I121 W124L50-L66 HydrophobicContact CD1-CD2 3.98Å; L50-L66 HydrophobicContact CD1-CG 4.13Å; L50-L66 HydrophobicContact CD2-CD2 4.05Å; L62-L66 WeakPolarHBondContact O-CB 2.11Å; L62-L66 WeakPolarHBondContact O-CD1 3.06Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.23Å; R63-L66 PolarHBondContact O-N 2.86Å; L66-G71 VanDerWaalsContact CD2-O 3.28Å; L66-G71 WeakPolarHBondContact CD2-O 3.36Å; L66-I120 HydrophobicContact CD1-CG2 3.84Å; L66-I121 HydrophobicContact CD1-CG1 3.86Å; L66-W124 HydrophobicContact CD2-CG 4.39Å
67I80.4Confident83.2Confident121 Ų12142.9 Ų42.962%0.62121%0.21SC*.Hα-helixtrans-109-44.4-174.5-54.8173.2000112.7R63R63-I67 HydrophobicContact CB-CD1 4.43Å; R63-I67 VanDerWaalsContact O-CB 3.28Å; R63-I67 WeakPolarHBondContact O-CB 2.12Å; R63-I67 WeakPolarHBondContact O-CG1 2.12Å; R63-I67 PolarHBondContact O-N 2.92Å
68D78.8Confident83.4Confident90 Ų9046.5 Ų46.548%0.48123%0.232SC..SBendtrans-85.5-8.7-178.2-58.8-3.7000112.9K31 S64K31-D68 WeakPolarHBondContact CE-OD2 3.09Å; K31-D68 IonicContact NZ-OD2 2.65Å; K31-D68 PolarHBondContact NZ-OD2 3.27Å; S64-D68 VanDerWaalsContact O-CB 3.26Å; S64-D68 WeakPolarHBondContact O-CB 2.12Å; S64-D68 PolarHBondContact O-N 3.24Å
69K77.2Confident83.3Confident52 Ų5250.5 Ų50.523%0.22625%0.251CS..SBendtrans-147.810.1-156.9-75.7-64.2-179.9170.30117.1K31 E32 P36 F65 G71K31-K69 WeakPolarHBondContact O-CE 3.48Å; K31-K69 PolarHBondContact O-NZ 3.35Å; E32-K69 PolarHBondContact O-NZ 3.02Å; P36-K69 HydrophobicContact CG-CB 3.66Å; P36-K69 HydrophobicContact CG-CG 4.45Å; F65-K69 CarbonylContact O-C 3.6Å; K69-G71 PolarHBondContact O-N 2.9Å; K69-G71 VanDerWaalsContact O-N 3.07Å
70D79.1Confident83.4Confident132 Ų13251.8 Ų51.871%0.70626%0.258SS*.  trans48.239.7175-54-37.1000114N37 N72N37-D70 PolarHBondContact ND2-O 3.23Å; N37-D70 VanDerWaalsContact ND2-O 3.07Å; D70-N72 PolarHBondContact O-N 2.88Å
71G81.4Confident83.5Confident0 Ų050 Ų500%024%0.243CC..  trans-66.7123.1173.400000110.7F65 L66 K69 P73 W124F65-G71 WeakPolarHBondContact O-CA 3.12Å; F65-G71 PolarHBondContact O-N 2.89Å; L66-G71 VanDerWaalsContact CD2-O 3.28Å; L66-G71 WeakPolarHBondContact CD2-O 3.36Å; K69-G71 PolarHBondContact O-N 2.9Å; K69-G71 VanDerWaalsContact O-N 3.07Å; G71-P73 WeakPolarHBondContact O-CD 3.03Å; G71-W124 PolarHBondContact O-NE1 3.3Å
72N84.9Confident83.8Confident32 Ų3249.9 Ų49.917%0.17124%0.243CC..  trans-91.4115179.7-178.7-47.8000110.2N37 D70 N74 K75 W124N37-N72 WeakPolarHBondContact OD1-CB 3.44Å; N37-N72 PolarHBondContact OD1-N 3.5Å; D70-N72 PolarHBondContact O-N 2.88Å; N72-N74 VanDerWaalsContact C-N 3.26Å; N72-N74 PolarHBondContact O-N 3.42Å; N72-N74 WeakPolarHBondContact OD1-CA 3.47Å; N72-N74 VanDerWaalsContact OD1-CB 3.29Å; N72-N74 WeakPolarHBondContact OD1-CB 3.24Å; N72-N74 PolarHBondContact OD1-N 2.92Å; N72-K75 HydrophobicContact CB-CG 4.27Å; N72-K75 WeakPolarHBondContact O-CG 3.5Å; N72-K75 PolarHBondContact O-N 2.99Å; N72-K75 PolarHBondContact OD1-N 2.72Å; N72-W124 HydrophobicContact CB-CH2 4.36Å; N72-W124 HydrophobicContact CB-CZ2 4.13Å
73P84.9Confident83.9Confident0 Ų049.9 Ų49.90%024%0.243CC..THydrogen-bonded Turntrans-71.9-16.7-177.130-35000114.1L50 G71 K75 S83 I121 W124 A137L50-P73 HydrophobicContact CD2-CB 4.29Å; G71-P73 WeakPolarHBondContact O-CD 3.03Å; P73-K75 VanDerWaalsContact C-N 3.31Å; P73-S83 PolarHBondContact O-N 2.84Å; P73-I121 HydrophobicContact CB-CG2 3.69Å; P73-I121 HydrophobicContact CG-CG2 4.07Å; P73-W124 VanDerWaalsContact CD-CD2 3.47Å; P73-W124 HydrophobicContact CG-CD2 3.81Å; P73-W124 HydrophobicContact CG-CE3 3.63Å; P73-W124 HydrophobicContact CG-CG 4.26Å; P73-W124 HydrophobicContact CG-CZ3 4.08Å; P73-A137 HydrophobicContact CG-CB 4.21Å
74N86.1Confident84Confident20 Ų2044.8 Ų44.811%0.10722%0.224CC..THydrogen-bonded Turntrans-84.6-5-178.7-53-12.5000112.2N72 R76 S136 A137 E138N72-N74 VanDerWaalsContact C-N 3.26Å; N72-N74 PolarHBondContact O-N 3.42Å; N72-N74 WeakPolarHBondContact OD1-CA 3.47Å; N72-N74 VanDerWaalsContact OD1-CB 3.29Å; N72-N74 WeakPolarHBondContact OD1-CB 3.24Å; N72-N74 PolarHBondContact OD1-N 2.92Å; N74-R76 WeakPolarHBondContact O-CG 3.21Å; N74-R76 PolarHBondContact O-N 3.06Å; N74-S136 PolarHBondContact ND2-O 3.04Å; N74-A137 VanDerWaalsContact OD1-CA 3.3Å; N74-A137 WeakPolarHBondContact OD1-CA 3.39Å; N74-E138 HydrophobicContact CB-CB 4.46Å; N74-E138 HydrophobicContact CB-CG 4.28Å; N74-E138 PolarHBondContact OD1-N 3.4Å
75K84.6Confident84.2Confident99 Ų9943.7 Ų43.743%0.4322%0.217SC..  trans-53.5130.4166.5-72.6-64.5-174.8-170.60109.3H51 N72 P73H51-K75 PolarHBondContact CE1-O 2.74Å; H51-K75 PolarHBondContact NE2-O 3.34Å; N72-K75 HydrophobicContact CB-CG 4.27Å; N72-K75 WeakPolarHBondContact O-CG 3.5Å; N72-K75 PolarHBondContact O-N 2.99Å; N72-K75 PolarHBondContact OD1-N 2.72Å; P73-K75 VanDerWaalsContact C-N 3.31Å
76R86.8Confident84.2Confident102 Ų10244 Ų4439%0.38522%0.218SC..  trans-104.6146.1-179-60.5-175.4-170.5-167.41.7111.3N74 N80 E81 T82 E138N74-R76 WeakPolarHBondContact O-CG 3.21Å; N74-R76 PolarHBondContact O-N 3.06Å; R76-N80 WeakPolarHBondContact CD-OD1 3.3Å; R76-E81 WeakPolarHBondContact CA-O 3.44Å; R76-T82 HydrophobicContact CG-CG2 3.88Å; R76-E138 IonicContact CZ-OE2 2.79Å; R76-E138 IonicContact NE-OE2 3.65Å; R76-E138 IonicContact NH2-OE2 3.11Å; R76-E138 PolarHBondContact NH2-OE2 3.07Å
77N87Confident84.3Confident10 Ų1043.6 Ų43.65%0.05322%0.216CC..  trans-90.8-171.7173.274.86.2000111.9N47 H79 N80 E81N47-N77 PolarHBondContact OD1-ND2 2.85Å; N77-H79 PolarHBondContact O-N 3.38Å; N77-H79 VanDerWaalsContact O-N 3.16Å; N77-H79 WeakPolarHBondContact OD1-CA 3.35Å; N77-H79 WeakPolarHBondContact OD1-CB 3.48Å; N77-H79 PolarHBondContact OD1-N 2.89Å; N77-N80 PolarHBondContact O-N 3.27Å; N77-N80 PolarHBondContact OD1-N 2.94Å; N77-E81 PolarHBondContact N-O 2.94Å; N77-E81 VanDerWaalsContact N-O 3.09Å; N77-E81 PolarHBondContact ND2-OE2 2.91Å; N77-E81 WeakPolarHBondContact OD1-CB 3.11Å; N77-E81 PolarHBondContact OD1-N 3.06Å; N77-E81 VanDerWaalsContact OD1-N 3.11Å
78V87.1Confident84.6Confident75 Ų7537.9 Ų37.946%0.45519%0.187SC..THydrogen-bonded Turntrans-58.7-24.5177.7167.50000113.6Q45 H46 N80 N144Q45-V78 HydrophobicContact CB-CB 4.36Å; Q45-V78 WeakPolarHBondContact O-CG2 3.45Å; Q45-V78 PolarHBondContact O-N 3.38Å; Q45-V78 VanDerWaalsContact O-N 3.09Å; H46-V78 HydrophobicContact CB-CG2 4.17Å; V78-N80 VanDerWaalsContact C-N 3.32Å; V78-N144 PolarHBondContact O-ND2 3.13Å
79H82.3Confident84.7Confident85 Ų8534.4 Ų34.439%0.39417%0.168SC..THydrogen-bonded Turntrans-92.18.6179.3-55.9-56.9000113.2Q45 N77 E81 N144Q45-H79 WeakPolarHBondContact CG-NE2 3.18Å; Q45-H79 PolarHBondContact NE2-NE2 3.36Å; Q45-H79 PolarHBondContact OE1-NE2 2.88Å; N77-H79 PolarHBondContact O-N 3.38Å; N77-H79 VanDerWaalsContact O-N 3.16Å; N77-H79 WeakPolarHBondContact OD1-CA 3.35Å; N77-H79 WeakPolarHBondContact OD1-CB 3.48Å; N77-H79 PolarHBondContact OD1-N 2.89Å; H79-E81 HydrophobicContact CB-CG 3.85Å; H79-E81 IonicContact CD2-OE2 2.62Å; H79-E81 PolarHBondContact O-N 3.34Å; H79-N144 WeakPolarHBondContact CA-ND2 3.19Å; H79-N144 PolarHBondContact O-N 2.65Å; H79-N144 PolarHBondContact O-OD1 3.05Å
80N85.3Confident84.3Confident65 Ų6531.9 Ų31.935%0.34816%0.157SC..  trans59.57.7-167.9-85.1-65.6000115.6R76 N77 V78 N144R76-N80 WeakPolarHBondContact CD-OD1 3.3Å; N77-N80 PolarHBondContact O-N 3.27Å; N77-N80 PolarHBondContact OD1-N 2.94Å; V78-N80 VanDerWaalsContact C-N 3.32Å; N80-N144 WeakPolarHBondContact CB-OD1 3.22Å; N80-N144 PolarHBondContact ND2-OD1 3.06Å
81E85.8Confident83.5Confident23 Ų2327.7 Ų27.711%0.10714%0.137CC..  trans-66.1135177.2-58.5167.8132.900110.2H51 R76 N77 H79 H85 L86 M89 D143H51-E81 PolarHBondContact NE2-O 2.86Å; R76-E81 WeakPolarHBondContact CA-O 3.44Å; N77-E81 PolarHBondContact N-O 2.94Å; N77-E81 VanDerWaalsContact N-O 3.09Å; N77-E81 PolarHBondContact ND2-OE2 2.91Å; N77-E81 WeakPolarHBondContact OD1-CB 3.11Å; N77-E81 PolarHBondContact OD1-N 3.06Å; N77-E81 VanDerWaalsContact OD1-N 3.11Å; H79-E81 HydrophobicContact CB-CG 3.85Å; H79-E81 IonicContact CD2-OE2 2.62Å; H79-E81 PolarHBondContact O-N 3.34Å; E81-H85 HydrophobicContact CB-CB 4.05Å; E81-H85 HydrophobicContact CG-CB 4.5Å; E81-L86 HydrophobicContact CB-CD2 4.36Å; E81-M89 WeakPolarHBondContact OE1-CE 3.22Å; E81-D143 HydrophobicContact CG-CB 4.19Å
82T88.9Confident82.5Confident0 Ų032.7 Ų32.70%016%0.16CC..  trans-90.6172168.665.80000111.2R76 L84 H85 L86 A141R76-T82 HydrophobicContact CG-CG2 3.88Å; T82-L84 PolarHBondContact O-N 2.88Å; T82-L84 VanDerWaalsContact O-N 3.16Å; T82-L84 PolarHBondContact OG1-N 2.69Å; T82-H85 PolarHBondContact N-ND1 3.22Å; T82-H85 WeakPolarHBondContact O-CB 3.28Å; T82-H85 PolarHBondContact O-N 2.87Å; T82-H85 PolarHBondContact OG1-ND1 3.11Å; T82-L86 PolarHBondContact O-N 3.35Å; T82-A141 HydrophobicContact CG2-CB 3.85Å
83S86.6Confident81.5Confident0 Ų033.4 Ų33.40%016%0.164CC..Hα-helixtrans-60.8-25.7175.2-64.10000113.1A54 P73 L87A54-S83 VanDerWaalsContact CB-O 3.31Å; A54-S83 WeakPolarHBondContact CB-O 3.06Å; P73-S83 PolarHBondContact O-N 2.84Å; S83-L87 PolarHBondContact O-N 3.24Å
84L86.4Confident80.3Confident1 Ų134 Ų341%0.00517%0.167CC..Hα-helixtrans-66.8-38.7172.6-75.8175.7000112.9T82 L87 C88 L118 I121 A137 C149T82-L84 PolarHBondContact O-N 2.88Å; T82-L84 VanDerWaalsContact O-N 3.16Å; T82-L84 PolarHBondContact OG1-N 2.69Å; L84-L87 PolarHBondContact O-N 2.91Å; L84-C88 WeakPolarHBondContact O-CB 3.38Å; L84-C88 PolarHBondContact O-N 2.88Å; L84-C88 PolarHBondContact O-SG 2.97Å; L84-L118 HydrophobicContact CD2-CD1 3.52Å; L84-I121 HydrophobicContact CD2-CB 3.99Å; L84-I121 HydrophobicContact CD2-CD1 4.3Å; L84-I121 HydrophobicContact CD2-CG2 3.52Å; L84-I121 HydrophobicContact CG-CG2 3.89Å; L84-A137 HydrophobicContact CD1-CB 4.11Å; L84-C149 HydrophobicContact CB-CB 4.1Å
85H86.7Confident78.6Confident0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-62.6-46.8179-7075.5000111E81 T82 L87 C88 M89 A141 N147 C149 Y152E81-H85 HydrophobicContact CB-CB 4.05Å; E81-H85 HydrophobicContact CG-CB 4.5Å; T82-H85 PolarHBondContact N-ND1 3.22Å; T82-H85 WeakPolarHBondContact O-CB 3.28Å; T82-H85 PolarHBondContact O-N 2.87Å; T82-H85 PolarHBondContact OG1-ND1 3.11Å; H85-L87 VanDerWaalsContact C-N 3.31Å; H85-L87 PolarHBondContact O-N 2.67Å; H85-C88 PolarHBondContact O-N 2.99Å; H85-M89 PolarHBondContact O-N 3.18Å; H85-A141 PolarHBondContact CE1-O 3.3Å; H85-A141 PolarHBondContact NE2-O 3.31Å; H85-N147 PolarHBondContact NE2-O 3.07Å; H85-C149 PolarHBondContact NE2-N 3.35Å; H85-Y152 AromaticContact CD2-CE2 3.9Å
86L85.6Confident76.5Confident6 Ų638.3 Ų38.33%0.03121%0.206CC..Hα-helixtrans-66.5-31.4179.8-59.2-170.1000113.2H51 A54 R55 E81 T82 M89H51-L86 HydrophobicContact CB-CD1 3.54Å; H51-L86 WeakPolarHBondContact O-CD1 2.4Å; A54-L86 HydrophobicContact CB-CB 4.48Å; R55-L86 HydrophobicContact CB-CB 4.21Å; E81-L86 HydrophobicContact CB-CD2 4.36Å; T82-L86 PolarHBondContact O-N 3.35Å; L86-M89 HydrophobicContact CD2-CE 3.39Å
87L85.4Confident74.2Confident2 Ų238.8 Ų38.81%0.0121%0.213CC..Hα-helixtrans-72.3-39.7173.4-176.563.6000112A54 A57 S83 L84 H85 M89 R114 C117 L118 I121A54-L87 HydrophobicContact CB-CB 4.27Å; A54-L87 WeakPolarHBondContact O-CD1 3.44Å; A57-L87 HydrophobicContact CB-CD1 4.09Å; S83-L87 PolarHBondContact O-N 3.24Å; L84-L87 PolarHBondContact O-N 2.91Å; H85-L87 VanDerWaalsContact C-N 3.31Å; H85-L87 PolarHBondContact O-N 2.67Å; L87-M89 VanDerWaalsContact C-N 3.28Å; L87-M89 PolarHBondContact O-N 3.44Å; L87-R114 HydrophobicContact CD1-CB 4.31Å; L87-R114 HydrophobicContact CD1-CG 4.04Å; L87-R114 PolarHBondContact O-NH1 2.94Å; L87-C117 HydrophobicContact CD1-CB 3.82Å; L87-C117 HydrophobicContact CD2-CB 3.79Å; L87-C117 HydrophobicContact CG-CB 4.48Å; L87-L118 HydrophobicContact CD2-CB 3.85Å; L87-L118 HydrophobicContact CD2-CD1 4.44Å; L87-I121 HydrophobicContact CD2-CD1 3.83Å
88C85.1Confident71.9Confident2 Ų241.7 Ų41.71%0.01425%0.245CC..Hα-helixtrans-73.9-16178.8-65.30000113.3L84 H85 G90 C149 Y152 A153 S156 M158L84-C88 WeakPolarHBondContact O-CB 3.38Å; L84-C88 PolarHBondContact O-N 2.88Å; L84-C88 PolarHBondContact O-SG 2.97Å; H85-C88 PolarHBondContact O-N 2.99Å; C88-G90 PolarHBondContact O-N 3.37Å; C88-C149 HydrophobicContact CB-CB 4.31Å; C88-C149 VanDerWaalsContact CB-O 3.27Å; C88-C149 WeakPolarHBondContact CB-O 3.41Å; C88-Y152 CarbonylContact O-C 3.53Å; C88-Y152 VanDerWaalsContact O-C 3.24Å; C88-A153 HydrophobicContact CB-CB 4.13Å; C88-A153 PolarHBondContact O-N 2.82Å; C88-S156 PolarHBondContact O-OG 3.3Å; C88-S156 VanDerWaalsContact O-OG 3.13Å; C88-M158 WeakPolarHBondContact O-CE 3.47Å
89M81.1Confident69.6Low16 Ų1642.9 Ų42.98%0.07926%0.263CS..SBendtrans-73.3100.5164.9-81.6-163.8-82.200111E81 H85 L86 L87 I93 L94 R114 Y152E81-M89 WeakPolarHBondContact OE1-CE 3.22Å; H85-M89 PolarHBondContact O-N 3.18Å; L86-M89 HydrophobicContact CD2-CE 3.39Å; L87-M89 VanDerWaalsContact C-N 3.28Å; L87-M89 PolarHBondContact O-N 3.44Å; M89-I93 HydrophobicContact CG-CG2 4.37Å; M89-I93 HydrophobicContact SD-CG2 4.19Å; M89-L94 HydrophobicContact CB-CD1 4.47Å; M89-L94 HydrophobicContact CB-CD2 3.93Å; M89-L94 HydrophobicContact CB-CG 4.1Å; M89-L94 HydrophobicContact CE-CD2 4.4Å; M89-L94 WeakPolarHBondContact O-CD1 3.39Å; M89-L94 HydrophobicContact SD-CD2 3.97Å; M89-R114 PolarHBondContact O-NH1 3.01Å; M89-Y152 HydrophobicContact CG-CD1 3.27Å; M89-Y152 HydrophobicContact CG-CE1 3.67Å; M89-Y152 HydrophobicContact CG-CG 3.85Å; M89-Y152 HydrophobicContact SD-CD1 3.95Å; M89-Y152 HydrophobicContact SD-CE1 3.67Å
90G69.6Low67.8Low0 Ų043.1 Ų43.10%027%0.267CS..  trans-64.9161.9172.300000113C88 Q92 I93 L94 S156C88-G90 PolarHBondContact O-N 3.37Å; G90-Q92 PolarHBondContact O-N 3.37Å; G90-I93 PolarHBondContact O-N 2.88Å; G90-I93 VanDerWaalsContact O-N 3.14Å; G90-L94 PolarHBondContact O-N 3.2Å; G90-S156 PolarHBondContact N-OG 3.15Å
91P62.8Low65.6Low44 Ų4448.5 Ų48.529%0.28629%0.29SS..THydrogen-bonded Turntrans-59.1-19.9-176.524-34.3000114.3T95P91-T95 WeakPolarHBondContact O-CG2 3.36Å
92Q60.1Low63.6Low105 Ų10552.1 Ų52.149%0.49132%0.315SS..THydrogen-bonded Turntrans-66.4-49.6175.6-59.981.6-9.700111.7G90 L94 T95G90-Q92 PolarHBondContact O-N 3.37Å; Q92-L94 VanDerWaalsContact C-N 3.33Å; Q92-T95 WeakPolarHBondContact O-CG2 3.29Å; Q92-T95 PolarHBondContact O-N 3.2Å; Q92-T95 PolarHBondContact O-OG1 2.78Å
93I63.7Low61.7Low47 Ų4759 Ų5924%0.24134%0.341CS..G310 helixtrans-68.6-36.5-178.3-57-178.6000110.4M89 G90 T95 Y152 A155 S156M89-I93 HydrophobicContact CG-CG2 4.37Å; M89-I93 HydrophobicContact SD-CG2 4.19Å; G90-I93 PolarHBondContact O-N 2.88Å; G90-I93 VanDerWaalsContact O-N 3.14Å; I93-T95 PolarHBondContact O-N 3.2Å; I93-T95 VanDerWaalsContact O-N 3.1Å; I93-Y152 HydrophobicContact CD1-CD1 4.23Å; I93-A155 HydrophobicContact CD1-CB 3.72Å; I93-S156 VanDerWaalsContact CD1-OG 3.25Å; I93-S156 WeakPolarHBondContact CD1-OG 3.22Å
94L59.2Low60Low13 Ų1365.7 Ų65.77%0.06838%0.376CS..G310 helixtrans-70.80.6-178.5-63.8173.9000114.7R55 M89 G90 Q92 S96 L100R55-L94 HydrophobicContact CG-CD1 3.98Å; R55-L94 HydrophobicContact CG-CD2 4.41Å; M89-L94 HydrophobicContact CB-CD1 4.47Å; M89-L94 HydrophobicContact CB-CD2 3.93Å; M89-L94 HydrophobicContact CB-CG 4.1Å; M89-L94 HydrophobicContact CE-CD2 4.4Å; M89-L94 WeakPolarHBondContact O-CD1 3.39Å; M89-L94 HydrophobicContact SD-CD2 3.97Å; G90-L94 PolarHBondContact O-N 3.2Å; Q92-L94 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 3.07Å; L94-L100 HydrophobicContact CB-CD1 4.33Å
95T50.8Low58Low101 Ų10170.1 Ų70.162%0.6241%0.407SS*.G310 helixtrans-73.9-20.4-176.453.60000115P91 Q92 I93 E97P91-T95 WeakPolarHBondContact O-CG2 3.36Å; Q92-T95 WeakPolarHBondContact O-CG2 3.29Å; Q92-T95 PolarHBondContact O-N 3.2Å; Q92-T95 PolarHBondContact O-OG1 2.78Å; I93-T95 PolarHBondContact O-N 3.2Å; I93-T95 VanDerWaalsContact O-N 3.1Å; T95-E97 PolarHBondContact O-N 3.32Å
96S40.3Very low56.5Low107 Ų10777.4 Ų77.475%0.74843%0.434SS*.G310 helixtrans-72.2-25.9-176.755.70000113.9L94L94-S96 PolarHBondContact O-N 3.07Å
97E38.7Very low55.4Low112 Ų11281.7 Ų81.752%0.52346%0.462SS..SBendtrans-11188.2-179.4-69.7-165.315700112.7T95T95-E97 PolarHBondContact O-N 3.32Å
98G38.8Very low54.2Low71 Ų7189.8 Ų89.873%0.73249%0.494SS*.SBendtrans74.967.8149.900000117.8
99A39.3Very low53.3Low100 Ų10094.1 Ų94.183%0.82651%0.514SS*.  trans5873.6151.300000117.7Q101A99-Q101 PolarHBondContact O-N 2.99Å
100L43.7Very low53Low90 Ų9095 Ų9547%0.47152%0.519SS..  trans-79.2112157.4-68.2173.8000110.4L94L94-L100 HydrophobicContact CB-CD1 4.33Å
101Q39Very low53.1Low179 Ų17997.3 Ų97.384%0.83653%0.53SS*.  trans-68.1153.7164.2-91.9-173.6-17.800110.7A99 R103A99-Q101 PolarHBondContact O-N 2.99Å; Q101-R103 PolarHBondContact O-N 3.47Å
102P44Very low53.9Low99 Ų9999.7 Ų99.764%0.64354%0.537SS*.  trans-77.6101.4-150.128.3-36.4000114.3
103R48.3Very low54.9Low143 Ų14398.3 Ų98.354%0.5453%0.528SS..  trans-82.79.2147.1-81-164.7-177.8133.59.9113.3G15 Q101 S105G15-R103 PolarHBondContact O-NH1 2.85Å; G15-R103 PolarHBondContact O-NH2 3.28Å; Q101-R103 PolarHBondContact O-N 3.47Å; R103-S105 PolarHBondContact O-N 2.94Å
104I50.4Low56Low141 Ų14196.5 Ų96.572%0.72352%0.518SS*.THydrogen-bonded Turntrans-72.960.5167-43.4178.2000109.4
105S45.7Very low57.2Low95 Ų9597 Ų9766%0.66452%0.521SS*.THydrogen-bonded Turntrans-110.9-34.4177-45.70000111.1R103R103-S105 PolarHBondContact O-N 2.94Å
106R55.9Low58.8Low153 Ų15394.9 Ų94.958%0.57751%0.505SS*.  trans-151.682.8-174.9-61.5-174.1-174.5174.12.7110.7Y108 E109 D110R106-Y108 VanDerWaalsContact C-N 3.26Å; R106-Y108 PolarHBondContact O-N 3.41Å; R106-E109 HydrophobicContact CB-CB 4.12Å; R106-E109 HydrophobicContact CB-CG 4.18Å; R106-E109 WeakPolarHBondContact CD-OE1 2.97Å; R106-E109 WeakPolarHBondContact CD-OE2 3.46Å; R106-E109 IonicContact CZ-OE1 3.86Å; R106-E109 IonicContact NE-OE1 2.8Å; R106-E109 IonicContact NH1-OE1 3.93Å; R106-E109 PolarHBondContact NH1-OE1 3.31Å; R106-E109 IonicContact NH1-OE2 2.96Å; R106-E109 PolarHBondContact NH1-OE2 3.08Å; R106-E109 PolarHBondContact O-N 3.33Å; R106-D110 PolarHBondContact O-N 3.08Å
107P61.6Low61Low95 Ų9589.8 Ų89.862%0.61747%0.469SS*.Hα-helixtrans-60.6-33.8-175.923.4-33.4000113.2E109 D110 E111P107-E109 PolarHBondContact O-N 2.91Å; P107-D110 PolarHBondContact O-N 2.92Å; P107-E111 PolarHBondContact O-N 2.67Å
108Y60.5Low63.2Low172 Ų17284.5 Ų84.568%0.67544%0.444SS*.Hα-helixtrans-62.3-38.1177.3-175.2-101.8000113.2R106 D110 Q112R106-Y108 VanDerWaalsContact C-N 3.26Å; R106-Y108 PolarHBondContact O-N 3.41Å; Y108-D110 VanDerWaalsContact C-N 3.35Å; Y108-Q112 PolarHBondContact O-N 3.17Å
109E66.7Low65.5Low93 Ų9386.8 Ų86.844%0.43544%0.436SS..Hα-helixtrans-72.4-28.3176.4-69.7-179.4-168.100112R106 P107 R113R106-E109 HydrophobicContact CB-CB 4.12Å; R106-E109 HydrophobicContact CB-CG 4.18Å; R106-E109 WeakPolarHBondContact CD-OE1 2.97Å; R106-E109 WeakPolarHBondContact CD-OE2 3.46Å; R106-E109 IonicContact CZ-OE1 3.86Å; R106-E109 IonicContact NE-OE1 2.8Å; R106-E109 IonicContact NH1-OE1 3.93Å; R106-E109 PolarHBondContact NH1-OE1 3.31Å; R106-E109 IonicContact NH1-OE2 2.96Å; R106-E109 PolarHBondContact NH1-OE2 3.08Å; R106-E109 PolarHBondContact O-N 3.33Å; P107-E109 PolarHBondContact O-N 2.91Å; E109-R113 VanDerWaalsContact O-CB 3.27Å; E109-R113 WeakPolarHBondContact O-CB 3.35Å; E109-R113 WeakPolarHBondContact O-CG 3.46Å; E109-R113 PolarHBondContact O-N 2.98Å
110D73.1Confident67.8Low36 Ų3682.8 Ų82.819%0.19340%0.4CS..Hα-helixtrans-73.6-41.5173.6-158.467.9000111.4R106 P107 Y108 R113 R114R106-D110 PolarHBondContact O-N 3.08Å; P107-D110 PolarHBondContact O-N 2.92Å; Y108-D110 VanDerWaalsContact C-N 3.35Å; D110-R113 PolarHBondContact O-N 3.04Å; D110-R114 WeakPolarHBondContact O-CB 3.44Å; D110-R114 VanDerWaalsContact O-CG 3.27Å; D110-R114 WeakPolarHBondContact O-CG 3.45Å; D110-R114 PolarHBondContact O-N 2.87Å; D110-R114 IonicContact OD2-CZ 2.62Å; D110-R114 IonicContact OD2-NE 3.82Å; D110-R114 PolarHBondContact OD2-NE 2.74Å; D110-R114 IonicContact OD2-NH2 3.67Å; D110-R114 PolarHBondContact OD2-NH2 2.71Å
111E72.7Confident69.7Low47 Ų4778.6 Ų78.622%0.2238%0.378CS..Hα-helixtrans-62.8-45.1174.2-170.4-172.5167.500111.6P107 R114 T115 M158 R159 T160P107-E111 PolarHBondContact O-N 2.67Å; E111-R114 PolarHBondContact O-N 2.74Å; E111-T115 WeakPolarHBondContact O-CB 3.47Å; E111-T115 PolarHBondContact O-N 2.86Å; E111-T115 PolarHBondContact O-OG1 3.47Å; E111-M158 HydrophobicContact CG-CB 4.22Å; E111-M158 HydrophobicContact CG-CG 4.2Å; E111-R159 PolarHBondContact OE1-N 3.2Å; E111-R159 VanDerWaalsContact OE1-N 3.14Å; E111-T160 PolarHBondContact OE1-N 3.43Å; E111-T160 VanDerWaalsContact OE1-N 3.16Å; E111-T160 PolarHBondContact OE1-OG1 2.91Å
112Q79.1Confident71.9Confident95 Ų9570.6 Ų70.644%0.44434%0.341SS..Hα-helixtrans-61.5-48.2176.1-173-174.2-32.100110.8Y108 R114 T115 E116Y108-Q112 PolarHBondContact O-N 3.17Å; Q112-R114 VanDerWaalsContact C-N 3.31Å; Q112-R114 PolarHBondContact O-N 3.4Å; Q112-T115 PolarHBondContact O-N 2.73Å; Q112-E116 PolarHBondContact NE2-OE1 3.29Å; Q112-E116 PolarHBondContact O-N 2.99Å
113R81.8Confident73.8Confident75 Ų7569.5 Ų69.528%0.28334%0.336SS..Hα-helixtrans-58.5-40.9176.2-80.117455.4125.810.5112.5E17 A57 E109 D110 E116 C117E17-R113 IonicContact OE1-CZ 2.68Å; E17-R113 IonicContact OE1-NH1 3.36Å; E17-R113 IonicContact OE1-NH2 2.66Å; E17-R113 PolarHBondContact OE1-NH2 2.88Å; E17-R113 IonicContact OE2-CZ 3.58Å; E17-R113 VanDerWaalsContact OE2-CZ 3.28Å; E17-R113 IonicContact OE2-NH1 3.85Å; E17-R113 PolarHBondContact OE2-NH1 2.83Å; E17-R113 IonicContact OE2-NH2 3.86Å; E17-R113 PolarHBondContact OE2-NH2 3.12Å; A57-R113 PolarHBondContact O-NH2 2.98Å; E109-R113 VanDerWaalsContact O-CB 3.27Å; E109-R113 WeakPolarHBondContact O-CB 3.35Å; E109-R113 WeakPolarHBondContact O-CG 3.46Å; E109-R113 PolarHBondContact O-N 2.98Å; D110-R113 PolarHBondContact O-N 3.04Å; R113-E116 PolarHBondContact O-N 3.31Å; R113-C117 WeakPolarHBondContact O-CB 3.3Å; R113-C117 PolarHBondContact O-N 3.44Å; R113-C117 PolarHBondContact O-SG 2.69Å
114R85.7Confident75.6Confident9 Ų963.8 Ų63.83%0.03432%0.315CS..Hα-helixtrans-65-42176.5-77.3175.6-173.5-85.8-8.9111.6R55 A57 L87 M89 D110 E111 Q112 C117 L118 M158R55-R114 PolarHBondContact O-NH2 3.09Å; A57-R114 HydrophobicContact CB-CG 3.81Å; L87-R114 HydrophobicContact CD1-CB 4.31Å; L87-R114 HydrophobicContact CD1-CG 4.04Å; L87-R114 PolarHBondContact O-NH1 2.94Å; M89-R114 PolarHBondContact O-NH1 3.01Å; D110-R114 WeakPolarHBondContact O-CB 3.44Å; D110-R114 VanDerWaalsContact O-CG 3.27Å; D110-R114 WeakPolarHBondContact O-CG 3.45Å; D110-R114 PolarHBondContact O-N 2.87Å; D110-R114 IonicContact OD2-CZ 2.62Å; D110-R114 IonicContact OD2-NE 3.82Å; D110-R114 PolarHBondContact OD2-NE 2.74Å; D110-R114 IonicContact OD2-NH2 3.67Å; D110-R114 PolarHBondContact OD2-NH2 2.71Å; E111-R114 PolarHBondContact O-N 2.74Å; Q112-R114 VanDerWaalsContact C-N 3.31Å; Q112-R114 PolarHBondContact O-N 3.4Å; R114-C117 WeakPolarHBondContact O-CB 3.49Å; R114-C117 PolarHBondContact O-N 2.81Å; R114-L118 VanDerWaalsContact O-CB 3.23Å; R114-L118 WeakPolarHBondContact O-CB 3.26Å; R114-L118 PolarHBondContact O-N 2.84Å; R114-M158 HydrophobicContact CB-SD 4.24Å; R114-M158 WeakPolarHBondContact CD-SD 3.47Å; R114-M158 HydrophobicContact CG-SD 4.48Å
115T84.5Confident76.9Confident23 Ų2361.8 Ų61.814%0.14131%0.309CS..Hα-helixtrans-66.9-38.8176.7-59.10000112.1E111 Q112 L118 Q119 T160 S161 L164E111-T115 WeakPolarHBondContact O-CB 3.47Å; E111-T115 PolarHBondContact O-N 2.86Å; E111-T115 PolarHBondContact O-OG1 3.47Å; Q112-T115 PolarHBondContact O-N 2.73Å; T115-L118 PolarHBondContact O-N 2.86Å; T115-Q119 WeakPolarHBondContact O-CB 3.34Å; T115-Q119 PolarHBondContact O-N 2.72Å; T115-T160 PolarHBondContact OG1-OG1 2.97Å; T115-S161 PolarHBondContact OG1-N 3.49Å; T115-S161 PolarHBondContact OG1-OG 3.42Å; T115-L164 HydrophobicContact CG2-CD2 4.35Å
116E85.6Confident78.3Confident58 Ų5858.2 Ų58.227%0.27129%0.287SS..Hα-helixtrans-64.3-43.9171.4-72.7-179.1-143.400111.8M59 Q112 R113 L118 Q119 I120M59-E116 HydrophobicContact SD-CB 4.3Å; Q112-E116 PolarHBondContact NE2-OE1 3.29Å; Q112-E116 PolarHBondContact O-N 2.99Å; R113-E116 PolarHBondContact O-N 3.31Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.48Å; E116-Q119 PolarHBondContact O-N 3.36Å; E116-I120 VanDerWaalsContact O-CD1 3.26Å; E116-I120 WeakPolarHBondContact O-CD1 3.47Å; E116-I120 VanDerWaalsContact O-CG1 3.24Å; E116-I120 WeakPolarHBondContact O-CG1 2.11Å; E116-I120 PolarHBondContact O-N 2.87Å
117C85.8Confident79.2Confident0 Ų053.5 Ų53.50%028%0.281CS..Hα-helixtrans-60.4-38.5173.2-69.30000112.4L62 L87 R113 R114 I120 I121L62-C117 HydrophobicContact CD1-CB 3.77Å; L87-C117 HydrophobicContact CD1-CB 3.82Å; L87-C117 HydrophobicContact CD2-CB 3.79Å; L87-C117 HydrophobicContact CG-CB 4.48Å; R113-C117 WeakPolarHBondContact O-CB 3.3Å; R113-C117 PolarHBondContact O-N 3.44Å; R113-C117 PolarHBondContact O-SG 2.69Å; R114-C117 WeakPolarHBondContact O-CB 3.49Å; R114-C117 PolarHBondContact O-N 2.81Å; C117-I120 PolarHBondContact O-N 3.29Å; C117-I121 WeakPolarHBondContact O-CG1 3.5Å; C117-I121 PolarHBondContact O-N 2.76Å; C117-I121 VanDerWaalsContact O-N 3.07Å
118L86.1Confident79.8Confident1 Ų155.4 Ų55.41%0.00528%0.28CS..Hα-helixtrans-68.9-44.5179.1177.263.8000110.4L84 L87 R114 T115 E116 I120 I121 L122 L164 L165L84-L118 HydrophobicContact CD2-CD1 3.52Å; L87-L118 HydrophobicContact CD2-CB 3.85Å; L87-L118 HydrophobicContact CD2-CD1 4.44Å; R114-L118 VanDerWaalsContact O-CB 3.23Å; R114-L118 WeakPolarHBondContact O-CB 3.26Å; R114-L118 PolarHBondContact O-N 2.84Å; T115-L118 PolarHBondContact O-N 2.86Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.48Å; L118-I120 VanDerWaalsContact C-N 3.25Å; L118-I120 PolarHBondContact O-N 2.87Å; L118-I121 PolarHBondContact O-N 2.8Å; L118-L122 HydrophobicContact CD1-CD1 3.87Å; L118-L122 HydrophobicContact CD1-CG 4.04Å; L118-L122 HydrophobicContact CD2-CD1 4.47Å; L118-L122 HydrophobicContact CG-CD1 3.77Å; L118-L122 HydrophobicContact CG-CG 4.32Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 VanDerWaalsContact O-CG 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.11Å; L118-L164 HydrophobicContact CD2-CD2 4.2Å; L118-L164 HydrophobicContact CG-CD2 4.18Å; L118-L165 HydrophobicContact CD1-CD2 4.14Å; L118-L165 HydrophobicContact CD2-CD2 4.49Å; L118-L165 HydrophobicContact CD2-CG 4.16Å
119Q86.3Confident80.4Confident118 Ų11850.8 Ų50.855%0.55127%0.266SS*.Hα-helixtrans-58.6-37.6173.9-170.8-179.66.400111.9T115 E116 S123 L164T115-Q119 WeakPolarHBondContact O-CB 3.34Å; T115-Q119 PolarHBondContact O-N 2.72Å; E116-Q119 PolarHBondContact O-N 3.36Å; Q119-S123 WeakPolarHBondContact O-CB 3.39Å; Q119-S123 PolarHBondContact O-N 2.89Å; Q119-S123 PolarHBondContact O-OG 2.92Å; Q119-L164 HydrophobicContact CB-CD2 3.99Å
120I86.5Confident80.3Confident17 Ų1754.4 Ų54.49%0.08729%0.289CS..Hα-helixtrans-64.8-49.2175-64.8153.4000110.6M59 R63 L66 E116 C117 L118 L122 S123 W124M59-I120 HydrophobicContact CG-CD1 3.83Å; M59-I120 HydrophobicContact SD-CD1 4.38Å; R63-I120 HydrophobicContact CG-CD1 3.68Å; R63-I120 HydrophobicContact CG-CG1 4.24Å; R63-I120 HydrophobicContact CG-CG2 4.15Å; R63-I120 VanDerWaalsContact NE-CD1 3.32Å; L66-I120 HydrophobicContact CD1-CG2 3.84Å; E116-I120 VanDerWaalsContact O-CD1 3.26Å; E116-I120 WeakPolarHBondContact O-CD1 3.47Å; E116-I120 VanDerWaalsContact O-CG1 3.24Å; E116-I120 WeakPolarHBondContact O-CG1 2.11Å; E116-I120 PolarHBondContact O-N 2.87Å; C117-I120 PolarHBondContact O-N 3.29Å; L118-I120 VanDerWaalsContact C-N 3.25Å; L118-I120 PolarHBondContact O-N 2.87Å; I120-L122 PolarHBondContact O-N 3.4Å; I120-S123 WeakPolarHBondContact CA-OG 3.47Å; I120-S123 PolarHBondContact O-N 3.31Å; I120-S123 PolarHBondContact O-OG 2.97Å; I120-W124 PolarHBondContact O-N 3.18Å
121I85.6Confident79.8Confident1 Ų161 Ų611%0.00532%0.318CS..Hα-helixtrans-63.8-40.5178.2-62170.2000111.2L66 P73 L84 L87 C117 L118 S123 W124 A137L66-I121 HydrophobicContact CD1-CG1 3.86Å; P73-I121 HydrophobicContact CB-CG2 3.69Å; P73-I121 HydrophobicContact CG-CG2 4.07Å; L84-I121 HydrophobicContact CD2-CB 3.99Å; L84-I121 HydrophobicContact CD2-CD1 4.3Å; L84-I121 HydrophobicContact CD2-CG2 3.52Å; L84-I121 HydrophobicContact CG-CG2 3.89Å; L87-I121 HydrophobicContact CD2-CD1 3.83Å; C117-I121 WeakPolarHBondContact O-CG1 3.5Å; C117-I121 PolarHBondContact O-N 2.76Å; C117-I121 VanDerWaalsContact O-N 3.07Å; L118-I121 PolarHBondContact O-N 2.8Å; I121-S123 PolarHBondContact O-N 3.14Å; I121-W124 VanDerWaalsContact O-CB 3.29Å; I121-W124 WeakPolarHBondContact O-CB 3.26Å; I121-W124 PolarHBondContact O-N 2.84Å; I121-W124 VanDerWaalsContact O-N 3.13Å; I121-A137 HydrophobicContact CG2-CB 4.01Å
122L84.3Confident79.3Confident11 Ų1160.4 Ų60.46%0.05833%0.325CS..THydrogen-bonded Turntrans-73-3.3175.2-63.5175.2000113.8L118 I120 I139 L164 L165 R168L118-L122 HydrophobicContact CD1-CD1 3.87Å; L118-L122 HydrophobicContact CD1-CG 4.04Å; L118-L122 HydrophobicContact CD2-CD1 4.47Å; L118-L122 HydrophobicContact CG-CD1 3.77Å; L118-L122 HydrophobicContact CG-CG 4.32Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 VanDerWaalsContact O-CG 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.11Å; I120-L122 PolarHBondContact O-N 3.4Å; L122-I139 HydrophobicContact CD2-CD1 3.8Å; L122-I139 HydrophobicContact CD2-CG1 3.75Å; L122-L164 HydrophobicContact CD1-CD2 4.11Å; L122-L164 HydrophobicContact CD1-CG 3.97Å; L122-L165 HydrophobicContact CD1-CD2 4.43Å; L122-R168 HydrophobicContact CD1-CG 4.3Å; L122-R168 PolarHBondContact O-NH1 2.8Å; L122-R168 PolarHBondContact O-NH2 2.95Å
123S83.6Confident79Confident77 Ų7762.5 Ų62.554%0.53833%0.334SS..THydrogen-bonded Turntrans-102.6-3.5170.172.70000113.5Q119 I120 I121Q119-S123 WeakPolarHBondContact O-CB 3.39Å; Q119-S123 PolarHBondContact O-N 2.89Å; Q119-S123 PolarHBondContact O-OG 2.92Å; I120-S123 WeakPolarHBondContact CA-OG 3.47Å; I120-S123 PolarHBondContact O-N 3.31Å; I120-S123 PolarHBondContact O-OG 2.97Å; I121-S123 PolarHBondContact O-N 3.14Å
124W85.6Confident78.7Confident23 Ų2365.6 Ų65.69%0.08735%0.347CS..  trans-69.3132.7177.3177.281.7000111.4L66 G71 N72 P73 I120 I121 G126 E135L66-W124 HydrophobicContact CD2-CG 4.39Å; G71-W124 PolarHBondContact O-NE1 3.3Å; N72-W124 HydrophobicContact CB-CH2 4.36Å; N72-W124 HydrophobicContact CB-CZ2 4.13Å; P73-W124 VanDerWaalsContact CD-CD2 3.47Å; P73-W124 HydrophobicContact CG-CD2 3.81Å; P73-W124 HydrophobicContact CG-CE3 3.63Å; P73-W124 HydrophobicContact CG-CG 4.26Å; P73-W124 HydrophobicContact CG-CZ3 4.08Å; I120-W124 PolarHBondContact O-N 3.18Å; I121-W124 VanDerWaalsContact O-CB 3.29Å; I121-W124 WeakPolarHBondContact O-CB 3.26Å; I121-W124 PolarHBondContact O-N 2.84Å; I121-W124 VanDerWaalsContact O-N 3.13Å; W124-G126 VanDerWaalsContact CH2-CA 3.49Å; W124-E135 HydrophobicContact CH2-CB 4.08Å; W124-E135 HydrophobicContact CZ3-CB 4.12Å
125T78.1Confident78.3Confident98 Ų9868.2 Ų68.260%0.60136%0.359SS*.EExtended strand (participates in β ladder)trans-121.6117.5170.655.50000108.4E135T125-E135 CarbonylContact C-O 3.29Å; T125-E135 WeakPolarHBondContact CA-O 3.35Å
126G76.3Confident78.1Confident20 Ų2071 Ų7121%0.20638%0.38CS..EExtended strand (participates in β ladder)trans-87.3-141-179.600000113.4W124 E135W124-G126 VanDerWaalsContact CH2-CA 3.49Å; G126-E135 PolarHBondContact N-O 3.2Å
127A74.6Confident78Confident55 Ų5568.6 Ų68.646%0.45537%0.37SS..EExtended strand (participates in β ladder)trans-64153.3-178.700000112Y134 E135A127-Y134 WeakPolarHBondContact O-CA 3.47Å; A127-E135 HydrophobicContact CB-CG 4.36Å; A127-E135 PolarHBondContact N-OE2 3.49Å; A127-E135 PolarHBondContact O-N 3.18Å
128K73.1Confident77.8Confident135 Ų13572.3 Ų72.359%0.58739%0.387SS*.EExtended strand (participates in β ladder)trans-78.6123.1171.5-173.4177.4178176.70109.6G132 Y134K128-G132 VanDerWaalsContact CE-O 3.31Å; K128-G132 WeakPolarHBondContact CE-O 3.38Å; K128-Y134 HydrophobicContact CB-CD1 4.12Å; K128-Y134 HydrophobicContact CB-CE1 3.99Å; K128-Y134 HydrophobicContact CG-CE1 4.39Å
129L72.6Confident77.7Confident75 Ų7573.3 Ų73.339%0.39339%0.392SS..PPolyproline II helixtrans-79.7157.8177.8-60.3172.9000111.1H131 G132 E133 E135L129-H131 PolarHBondContact O-N 3.44Å; L129-G132 PolarHBondContact O-N 2.87Å; L129-E133 PolarHBondContact N-O 2.94Å; L129-E135 HydrophobicContact CD2-CG 3.85Å; L129-E135 HydrophobicContact CG-CG 4.22Å
130D65.9Low77.7Confident169 Ų16970.4 Ų70.490%0.90438%0.381SS*.THydrogen-bonded Turntrans-57-27.8-176.4-61.8-49.9000113.8G132D130-G132 VanDerWaalsContact C-N 3.27Å; D130-G132 PolarHBondContact O-N 3.44Å
131H62.6Low77.7Confident174 Ų17469.9 Ų69.981%0.80638%0.379SS*.THydrogen-bonded Turntrans-80.4-2.2179.9-62.588.5000113.9L129L129-H131 PolarHBondContact O-N 3.44Å
132G61.8Low77.8Confident35 Ų3572.1 Ų72.136%0.36139%0.393SS..SBendtrans98.7-15.8177.600000115K128 L129 D130K128-G132 VanDerWaalsContact CE-O 3.31Å; K128-G132 WeakPolarHBondContact CE-O 3.38Å; L129-G132 PolarHBondContact O-N 2.87Å; D130-G132 VanDerWaalsContact C-N 3.27Å; D130-G132 PolarHBondContact O-N 3.44Å
133E72Confident78Confident138 Ų13872.1 Ų72.165%0.64539%0.393SS*.  trans-75168.1174.7-59.9179.4158.500111.6L129L129-E133 PolarHBondContact N-O 2.94Å
134Y75.8Confident78.2Confident140 Ų14072.3 Ų72.355%0.54939%0.388SS..EExtended strand (participates in β ladder)trans-110.6145.6175.1-67.6-97.3000109.7A127 K128 S136A127-Y134 WeakPolarHBondContact O-CA 3.47Å; K128-Y134 HydrophobicContact CB-CD1 4.12Å; K128-Y134 HydrophobicContact CB-CE1 3.99Å; K128-Y134 HydrophobicContact CG-CE1 4.39Å; Y134-S136 PolarHBondContact O-N 3.25Å
135E77.1Confident78.2Confident64 Ų6476.9 Ų76.930%0.29941%0.409SS..EExtended strand (participates in β ladder)trans-52.8136.1168.6-69.5176.9154.600110.4W124 T125 G126 A127 L129W124-E135 HydrophobicContact CH2-CB 4.08Å; W124-E135 HydrophobicContact CZ3-CB 4.12Å; T125-E135 CarbonylContact C-O 3.29Å; T125-E135 WeakPolarHBondContact CA-O 3.35Å; G126-E135 PolarHBondContact N-O 3.2Å; A127-E135 HydrophobicContact CB-CG 4.36Å; A127-E135 PolarHBondContact N-OE2 3.49Å; A127-E135 PolarHBondContact O-N 3.18Å; L129-E135 HydrophobicContact CD2-CG 3.85Å; L129-E135 HydrophobicContact CG-CG 4.22Å
136S81.7Confident78.6Confident81 Ų8177.9 Ų77.957%0.56641%0.405SS*.EExtended strand (participates in β ladder)trans-122.3169.6174.363.10000111N74 Y134 E138N74-S136 PolarHBondContact ND2-O 3.04Å; Y134-S136 PolarHBondContact O-N 3.25Å; S136-E138 PolarHBondContact O-N 3.35Å
137A81.9Confident79.2Confident8 Ų877.8 Ų77.87%0.06640%0.399CS..  trans-65.2129.517600000111.6P73 N74 L84 I121 I139P73-A137 HydrophobicContact CG-CB 4.21Å; N74-A137 VanDerWaalsContact OD1-CA 3.3Å; N74-A137 WeakPolarHBondContact OD1-CA 3.39Å; L84-A137 HydrophobicContact CD1-CB 4.11Å; I121-A137 HydrophobicContact CG2-CB 4.01Å; A137-I139 PolarHBondContact O-N 3.49Å
138E82.9Confident79.9Confident78 Ų7875.2 Ų75.236%0.36438%0.378SS..  trans-73.894.3178.5-80.4171.1-143.800110.9N74 R76 S136 A141N74-E138 HydrophobicContact CB-CB 4.46Å; N74-E138 HydrophobicContact CB-CG 4.28Å; N74-E138 PolarHBondContact OD1-N 3.4Å; R76-E138 IonicContact CZ-OE2 2.79Å; R76-E138 IonicContact NE-OE2 3.65Å; R76-E138 IonicContact NH2-OE2 3.11Å; R76-E138 PolarHBondContact NH2-OE2 3.07Å; S136-E138 PolarHBondContact O-N 3.35Å; E138-A141 HydrophobicContact CB-CB 3.89Å
139I83.9Confident80.6Confident22 Ų2268.9 Ų68.911%0.11335%0.35CS..THydrogen-bonded Turntrans-68.2-46.6-179.9-58.6176.7000111.3L122 A137 A141 C149 L165 R168 A170L122-I139 HydrophobicContact CD2-CD1 3.8Å; L122-I139 HydrophobicContact CD2-CG1 3.75Å; A137-I139 PolarHBondContact O-N 3.49Å; I139-A141 VanDerWaalsContact C-N 3.28Å; I139-A141 PolarHBondContact O-N 3.16Å; I139-C149 PolarHBondContact O-SG 2.9Å; I139-L165 HydrophobicContact CG2-CD2 3.99Å; I139-R168 HydrophobicContact CD1-CB 3.51Å; I139-R168 WeakPolarHBondContact CD1-O 3.46Å; I139-A170 HydrophobicContact CG2-CB 3.59Å
140N85.2Confident81.4Confident57 Ų5765.3 Ų65.331%0.30533%0.332SS..THydrogen-bonded Turntrans-92.519.1-175.2-56.7-23.5000112.6G169 A170 D171N140-G169 PolarHBondContact ND2-O 3.05Å; N140-A170 VanDerWaalsContact OD1-CA 3.31Å; N140-A170 WeakPolarHBondContact OD1-CA 3.14Å; N140-D171 VanDerWaalsContact CG-OD2 3.23Å; N140-D171 PolarHBondContact ND2-OD2 3.47Å; N140-D171 PolarHBondContact OD1-N 2.89Å
141A86.4Confident82.5Confident6 Ų657.4 Ų57.45%0.0529%0.289CS..  trans-60.5151.2164.500000110.6T82 H85 E138 I139 T148T82-A141 HydrophobicContact CG2-CB 3.85Å; H85-A141 PolarHBondContact CE1-O 3.3Å; H85-A141 PolarHBondContact NE2-O 3.31Å; E138-A141 HydrophobicContact CB-CB 3.89Å; I139-A141 VanDerWaalsContact C-N 3.28Å; I139-A141 PolarHBondContact O-N 3.16Å; A141-T148 WeakPolarHBondContact O-CA 3.4Å
142T89.5Confident83.7Confident49 Ų4950.2 Ų50.230%0.30126%0.255SS..BIsolated β-bridgetrans-123.5143.2-177.6570000112.5N147 T148T142-N147 VanDerWaalsContact CA-O 3.32Å; T142-N147 WeakPolarHBondContact CA-O 3.12Å; T142-T148 HydrophobicContact CG2-CG2 3.88Å
143D88.2Confident85Confident10 Ų1048.6 Ų48.65%0.05324%0.238CC..  trans-70179.1166.882.5-19.9000112.6E81 K145 K146 N147 Y152E81-D143 HydrophobicContact CG-CB 4.19Å; D143-K145 VanDerWaalsContact CG-N 3.35Å; D143-K145 PolarHBondContact O-N 3.15Å; D143-K145 VanDerWaalsContact OD1-CA 3.28Å; D143-K145 WeakPolarHBondContact OD1-CA 3.09Å; D143-K145 WeakPolarHBondContact OD1-CB 3.19Å; D143-K145 PolarHBondContact OD1-N 2.92Å; D143-K146 PolarHBondContact O-N 2.96Å; D143-K146 VanDerWaalsContact O-N 3.11Å; D143-K146 PolarHBondContact OD1-N 3.14Å; D143-N147 PolarHBondContact N-O 3.35Å; D143-N147 WeakPolarHBondContact OD1-CB 3.45Å; D143-N147 PolarHBondContact OD1-N 2.98Å; D143-N147 PolarHBondContact OD1-ND2 2.87Å; D143-N147 PolarHBondContact OD2-ND2 2.95Å; D143-Y152 PolarHBondContact OD2-OH 3.23Å; D143-Y152 VanDerWaalsContact OD2-OH 3.08Å
144N87.5Confident85.8Confident82 Ų8242 Ų4244%0.43921%0.207SC..THydrogen-bonded Turntrans-59.3-13.2174-79-8.2000114.8V78 H79 N80V78-N144 PolarHBondContact O-ND2 3.13Å; H79-N144 WeakPolarHBondContact CA-ND2 3.19Å; H79-N144 PolarHBondContact O-N 2.65Å; H79-N144 PolarHBondContact O-OD1 3.05Å; N80-N144 WeakPolarHBondContact CB-OD1 3.22Å; N80-N144 PolarHBondContact ND2-OD1 3.06Å
145K85.3Confident86.3Confident119 Ų11936 Ų3652%0.51719%0.187SC..THydrogen-bonded Turntrans-109.712.5179.6-58.2168.9-177.6166.10112.6D143 N147 E177D143-K145 VanDerWaalsContact CG-N 3.35Å; D143-K145 PolarHBondContact O-N 3.15Å; D143-K145 VanDerWaalsContact OD1-CA 3.28Å; D143-K145 WeakPolarHBondContact OD1-CA 3.09Å; D143-K145 WeakPolarHBondContact OD1-CB 3.19Å; D143-K145 PolarHBondContact OD1-N 2.92Å; K145-N147 WeakPolarHBondContact CB-ND2 3.33Å; K145-N147 PolarHBondContact O-N 3.15Å; K145-E177 WeakPolarHBondContact CA-OE2 3.37Å; K145-E177 WeakPolarHBondContact O-CG 3.31Å; K145-E177 PolarHBondContact O-N 2.96Å
146K86.8Confident86.6Confident119 Ų11933.2 Ų33.252%0.51718%0.175SC..SBendtrans64.112.9-176.4-53.2177.9-175.8-1800115.5D143 E177D143-K146 PolarHBondContact O-N 2.96Å; D143-K146 VanDerWaalsContact O-N 3.11Å; D143-K146 PolarHBondContact OD1-N 3.14Å; K146-E177 HydrophobicContact CD-CG 4.19Å; K146-E177 HydrophobicContact CG-CG 4.18Å
147N87.4Confident86.7Confident18 Ų1830.4 Ų30.410%0.09616%0.158CC..  trans-70.5133.1169-57-63.3000109.4H85 T142 D143 K145 H151 Y152 N176H85-N147 PolarHBondContact NE2-O 3.07Å; T142-N147 VanDerWaalsContact CA-O 3.32Å; T142-N147 WeakPolarHBondContact CA-O 3.12Å; D143-N147 PolarHBondContact N-O 3.35Å; D143-N147 WeakPolarHBondContact OD1-CB 3.45Å; D143-N147 PolarHBondContact OD1-N 2.98Å; D143-N147 PolarHBondContact OD1-ND2 2.87Å; D143-N147 PolarHBondContact OD2-ND2 2.95Å; K145-N147 WeakPolarHBondContact CB-ND2 3.33Å; K145-N147 PolarHBondContact O-N 3.15Å; N147-H151 HydrophobicContact CB-CB 4.16Å; N147-Y152 HydrophobicContact CB-CD2 4.23Å; N147-Y152 HydrophobicContact CB-CE2 3.57Å; N147-N176 WeakPolarHBondContact OD1-CB 3.25Å; N147-N176 PolarHBondContact OD1-ND2 3.3Å
148T90.3Very high86.8Confident1 Ų130.5 Ų30.51%0.00616%0.157CC..BIsolated β-bridgetrans-89.2167.8165.960.70000111.1A141 T142 L150 H151 V174A141-T148 WeakPolarHBondContact O-CA 3.4Å; T142-T148 HydrophobicContact CG2-CG2 3.88Å; T148-L150 PolarHBondContact O-N 3.04Å; T148-L150 VanDerWaalsContact O-N 3.11Å; T148-H151 PolarHBondContact N-ND1 3.24Å; T148-H151 WeakPolarHBondContact O-CB 3.42Å; T148-H151 PolarHBondContact O-N 3.28Å; T148-H151 PolarHBondContact OG1-ND1 3.2Å; T148-V174 HydrophobicContact CG2-CB 4.32Å; T148-V174 HydrophobicContact CG2-CG1 4.05Å; T148-V174 HydrophobicContact CG2-CG2 4.26Å
149C88.3Confident86.9Confident1 Ų132.3 Ų32.31%0.00716%0.161CC..Hα-helixtrans-55.7-30.2174.469.80000113.3L84 H85 C88 I139 H151 Y152 A153L84-C149 HydrophobicContact CB-CB 4.1Å; H85-C149 PolarHBondContact NE2-N 3.35Å; C88-C149 HydrophobicContact CB-CB 4.31Å; C88-C149 VanDerWaalsContact CB-O 3.27Å; C88-C149 WeakPolarHBondContact CB-O 3.41Å; I139-C149 PolarHBondContact O-SG 2.9Å; C149-H151 PolarHBondContact O-N 2.87Å; C149-Y152 PolarHBondContact O-N 2.75Å; C149-A153 PolarHBondContact O-N 2.62Å
150L89.9Confident87Confident1 Ų134.1 Ų34.11%0.00517%0.173CC..Hα-helixtrans-65.1-35.8176.4-172.864.3000112.9T148 Y152 A153 A154 V162 L165 L166 A170 L172 P182T148-L150 PolarHBondContact O-N 3.04Å; T148-L150 VanDerWaalsContact O-N 3.11Å; L150-Y152 VanDerWaalsContact C-N 3.33Å; L150-Y152 PolarHBondContact O-N 3.19Å; L150-A153 PolarHBondContact O-N 3.43Å; L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.39Å; L150-A154 PolarHBondContact O-N 3.27Å; L150-V162 HydrophobicContact CD1-CB 4.48Å; L150-V162 HydrophobicContact CD1-CG1 4.13Å; L150-V162 HydrophobicContact CD1-CG2 4.22Å; L150-L165 HydrophobicContact CB-CD1 4.48Å; L150-L165 HydrophobicContact CD1-CB 4.13Å; L150-L165 HydrophobicContact CD1-CD1 3.94Å; L150-L166 HydrophobicContact CD1-CD2 4.44Å; L150-L166 HydrophobicContact CD1-CG 4.44Å; L150-L166 HydrophobicContact CD2-CD2 3.96Å; L150-A170 HydrophobicContact CD2-CB 4.02Å; L150-L172 HydrophobicContact CD2-CD2 4.48Å; L150-P182 HydrophobicContact CB-CG 4.36Å; L150-P182 HydrophobicContact CD2-CB 4.22Å; L150-P182 HydrophobicContact CD2-CG 3.93Å; L150-P182 HydrophobicContact CG-CB 3.95Å; L150-P182 HydrophobicContact CG-CG 3.98Å
151H88.4Confident87Confident2 Ų231.5 Ų31.51%0.00916%0.159CC..Hα-helixtrans-60.2-44.5175-72.275.1000111.1N147 T148 C149 A155 V174 E180N147-H151 HydrophobicContact CB-CB 4.16Å; T148-H151 PolarHBondContact N-ND1 3.24Å; T148-H151 WeakPolarHBondContact O-CB 3.42Å; T148-H151 PolarHBondContact O-N 3.28Å; T148-H151 PolarHBondContact OG1-ND1 3.2Å; C149-H151 PolarHBondContact O-N 2.87Å; H151-A155 VanDerWaalsContact O-CB 3.26Å; H151-A155 WeakPolarHBondContact O-CB 3.46Å; H151-A155 PolarHBondContact O-N 3.27Å; H151-V174 PolarHBondContact CE1-O 3.47Å; H151-V174 PolarHBondContact NE2-O 2.93Å; H151-E180 PolarHBondContact NE2-O 2.71Å
152Y87.6Confident87Confident24 Ų2431.3 Ų31.39%0.09416%0.157CC..Hα-helixtrans-69.6-40.2179-71.3-77.3000112.8H85 C88 M89 I93 D143 N147 C149 L150 A154 A155 S156H85-Y152 AromaticContact CD2-CE2 3.9Å; C88-Y152 CarbonylContact O-C 3.53Å; C88-Y152 VanDerWaalsContact O-C 3.24Å; M89-Y152 HydrophobicContact CG-CD1 3.27Å; M89-Y152 HydrophobicContact CG-CE1 3.67Å; M89-Y152 HydrophobicContact CG-CG 3.85Å; M89-Y152 HydrophobicContact SD-CD1 3.95Å; M89-Y152 HydrophobicContact SD-CE1 3.67Å; I93-Y152 HydrophobicContact CD1-CD1 4.23Å; D143-Y152 PolarHBondContact OD2-OH 3.23Å; D143-Y152 VanDerWaalsContact OD2-OH 3.08Å; N147-Y152 HydrophobicContact CB-CD2 4.23Å; N147-Y152 HydrophobicContact CB-CE2 3.57Å; C149-Y152 PolarHBondContact O-N 2.75Å; L150-Y152 VanDerWaalsContact C-N 3.33Å; L150-Y152 PolarHBondContact O-N 3.19Å; Y152-A154 VanDerWaalsContact C-N 3.34Å; Y152-A154 PolarHBondContact O-N 3.07Å; Y152-A155 PolarHBondContact O-N 2.75Å; Y152-S156 VanDerWaalsContact O-CB 3.29Å; Y152-S156 WeakPolarHBondContact O-CB 3.19Å; Y152-S156 PolarHBondContact O-N 2.93Å; Y152-S156 PolarHBondContact O-OG 3.32Å
153A87.9Confident86.9Confident0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-62.7-42.3175.800000111.6C88 C149 L150 S156 G157 M158 V162 L165C88-A153 HydrophobicContact CB-CB 4.13Å; C88-A153 PolarHBondContact O-N 2.82Å; C149-A153 PolarHBondContact O-N 2.62Å; L150-A153 PolarHBondContact O-N 3.43Å; A153-S156 PolarHBondContact O-N 3.37Å; A153-G157 PolarHBondContact O-N 3.22Å; A153-M158 PolarHBondContact O-N 2.74Å; A153-M158 VanDerWaalsContact O-N 3.13Å; A153-V162 HydrophobicContact CB-CG2 3.73Å; A153-L165 HydrophobicContact CB-CD1 3.98Å
154A88.9Confident86.7Confident0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-67.6-45176.700000112.6L150 Y152 S156 G157 P182 A186 L198L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.39Å; L150-A154 PolarHBondContact O-N 3.27Å; Y152-A154 VanDerWaalsContact C-N 3.34Å; Y152-A154 PolarHBondContact O-N 3.07Å; A154-S156 PolarHBondContact O-N 2.85Å; A154-G157 PolarHBondContact O-N 2.86Å; A154-G157 VanDerWaalsContact O-N 3.12Å; A154-P182 HydrophobicContact CB-CB 4.14Å; A154-P182 WeakPolarHBondContact CB-O 3.47Å; A154-A186 HydrophobicContact CB-CB 4.17Å; A154-L198 HydrophobicContact CB-CD1 3.98Å
155A87.1Confident86.7Confident14 Ų1429.1 Ų29.112%0.11614%0.141CC..Hα-helixtrans-63.6-23.9173.200000113.7I93 H151 Y152 C185 Q189I93-A155 HydrophobicContact CD1-CB 3.72Å; H151-A155 VanDerWaalsContact O-CB 3.26Å; H151-A155 WeakPolarHBondContact O-CB 3.46Å; H151-A155 PolarHBondContact O-N 3.27Å; Y152-A155 PolarHBondContact O-N 2.75Å; A155-C185 HydrophobicContact CB-CB 4.12Å; A155-Q189 HydrophobicContact CB-CG 4.31Å; A155-Q189 WeakPolarHBondContact O-CG 3Å
156S83.4Confident86.7Confident6 Ų624.5 Ų24.54%0.04212%0.122CC..THydrogen-bonded Turntrans-89.1-5.5176.5-55.30000113.4C88 G90 I93 Y152 A153 A154 M158C88-S156 PolarHBondContact O-OG 3.3Å; C88-S156 VanDerWaalsContact O-OG 3.13Å; G90-S156 PolarHBondContact N-OG 3.15Å; I93-S156 VanDerWaalsContact CD1-OG 3.25Å; I93-S156 WeakPolarHBondContact CD1-OG 3.22Å; Y152-S156 VanDerWaalsContact O-CB 3.29Å; Y152-S156 WeakPolarHBondContact O-CB 3.19Å; Y152-S156 PolarHBondContact O-N 2.93Å; Y152-S156 PolarHBondContact O-OG 3.32Å; A153-S156 PolarHBondContact O-N 3.37Å; A154-S156 PolarHBondContact O-N 2.85Å; S156-M158 VanDerWaalsContact C-N 3.27Å; S156-M158 PolarHBondContact O-N 2.88Å
157G83.9Confident86.5Confident21 Ų2125.3 Ų25.322%0.21613%0.128CC..THydrogen-bonded Turntrans72.312.1-177.900000115.2A153 A154 R159 H191A153-G157 PolarHBondContact O-N 3.22Å; A154-G157 PolarHBondContact O-N 2.86Å; A154-G157 VanDerWaalsContact O-N 3.12Å; G157-R159 PolarHBondContact O-N 3.13Å; G157-H191 VanDerWaalsContact CA-CD2 3.41Å; G157-H191 WeakPolarHBondContact CA-CD2 3.05Å; G157-H191 PolarHBondContact N-CD2 3.31Å; G157-H191 PolarHBondContact N-NE2 2.9Å
158M83.6Confident86.3Confident10 Ų1030.5 Ų30.55%0.04915%0.146CC..  trans-79.883.1-171.9-64.4-169.9-60.800111.6C88 E111 R114 A153 S156 T160 S161 V162C88-M158 WeakPolarHBondContact O-CE 3.47Å; E111-M158 HydrophobicContact CG-CB 4.22Å; E111-M158 HydrophobicContact CG-CG 4.2Å; R114-M158 HydrophobicContact CB-SD 4.24Å; R114-M158 WeakPolarHBondContact CD-SD 3.47Å; R114-M158 HydrophobicContact CG-SD 4.48Å; A153-M158 PolarHBondContact O-N 2.74Å; A153-M158 VanDerWaalsContact O-N 3.13Å; S156-M158 VanDerWaalsContact C-N 3.27Å; S156-M158 PolarHBondContact O-N 2.88Å; M158-T160 PolarHBondContact O-N 2.73Å; M158-S161 PolarHBondContact O-N 3.38Å; M158-V162 WeakPolarHBondContact O-CG2 3.36Å; M158-V162 PolarHBondContact O-N 3.18Å
159R84.5Confident85.9Confident116 Ų11632.7 Ų32.744%0.43817%0.168SC..Hα-helixtrans-56.6-48.3-172.9177.7176.1175.5142.312.4112.8E111 G157 S161 V162 E163 L194E111-R159 PolarHBondContact OE1-N 3.2Å; E111-R159 VanDerWaalsContact OE1-N 3.14Å; G157-R159 PolarHBondContact O-N 3.13Å; R159-S161 VanDerWaalsContact C-N 3.34Å; R159-S161 PolarHBondContact O-N 2.84Å; R159-V162 PolarHBondContact O-N 2.92Å; R159-E163 HydrophobicContact CG-CG 4.48Å; R159-E163 IonicContact CZ-OE1 2.81Å; R159-E163 IonicContact NE-OE1 3.28Å; R159-E163 PolarHBondContact NE-OE1 2.93Å; R159-E163 IonicContact NE-OE2 2.65Å; R159-E163 IonicContact NH2-OE1 3.58Å; R159-E163 PolarHBondContact NH2-OE1 2.98Å; R159-E163 WeakPolarHBondContact O-CG 3.29Å; R159-E163 PolarHBondContact O-N 3.43Å; R159-L194 HydrophobicContact CB-CD1 4.18Å; R159-L194 HydrophobicContact CG-CD1 4.24Å
160T85.9Confident85.8Confident61 Ų6133 Ų3337%0.37417%0.171SC..Hα-helixtrans-67.2-36.1-175.748.50000112.4E111 T115 M158 L164E111-T160 PolarHBondContact OE1-N 3.43Å; E111-T160 VanDerWaalsContact OE1-N 3.16Å; E111-T160 PolarHBondContact OE1-OG1 2.91Å; T115-T160 PolarHBondContact OG1-OG1 2.97Å; M158-T160 PolarHBondContact O-N 2.73Å; T160-L164 WeakPolarHBondContact O-CB 3.48Å; T160-L164 PolarHBondContact O-N 2.81Å; T160-L164 VanDerWaalsContact O-N 3.16Å
161S85.2Confident85.5Confident2 Ų236.9 Ų36.91%0.01419%0.192CC..Hα-helixtrans-67.5-40.2172.5-71.90000112.5T115 M158 R159 L164 L165T115-S161 PolarHBondContact OG1-N 3.49Å; T115-S161 PolarHBondContact OG1-OG 3.42Å; M158-S161 PolarHBondContact O-N 3.38Å; R159-S161 VanDerWaalsContact C-N 3.34Å; R159-S161 PolarHBondContact O-N 2.84Å; S161-L164 PolarHBondContact O-N 3.35Å; S161-L165 VanDerWaalsContact O-CG 3.3Å; S161-L165 WeakPolarHBondContact O-CG 3.28Å; S161-L165 PolarHBondContact O-N 3.18Å
162V87.3Confident85.2Confident1 Ų137.9 Ų37.91%0.00620%0.197CC..Hα-helixtrans-62.7-47.6174.3165.60000111.5L150 A153 M158 R159 L164 L165 L166 L194 L198L150-V162 HydrophobicContact CD1-CB 4.48Å; L150-V162 HydrophobicContact CD1-CG1 4.13Å; L150-V162 HydrophobicContact CD1-CG2 4.22Å; A153-V162 HydrophobicContact CB-CG2 3.73Å; M158-V162 WeakPolarHBondContact O-CG2 3.36Å; M158-V162 PolarHBondContact O-N 3.18Å; R159-V162 PolarHBondContact O-N 2.92Å; V162-L164 VanDerWaalsContact C-N 3.28Å; V162-L164 PolarHBondContact O-N 3.13Å; V162-L165 PolarHBondContact O-N 3.18Å; V162-L166 HydrophobicContact CG1-CD1 3.72Å; V162-L166 HydrophobicContact CG1-CG 4.43Å; V162-L166 VanDerWaalsContact O-CG 3.26Å; V162-L166 WeakPolarHBondContact O-CG 3.34Å; V162-L166 PolarHBondContact O-N 3.05Å; V162-L194 HydrophobicContact CB-CD1 4.13Å; V162-L194 HydrophobicContact CG1-CD1 4.01Å; V162-L194 HydrophobicContact CG2-CD1 4.35Å; V162-L194 HydrophobicContact CG2-CD2 4.29Å; V162-L198 HydrophobicContact CG1-CD2 3.76Å; V162-L198 HydrophobicContact CG1-CG 4.28Å
163E86.6Confident85.1Confident67 Ų6741.1 Ų41.131%0.31321%0.212SC..Hα-helixtrans-60.3-37.4178.8-72.5171.9172.100112R159 Q167R159-E163 HydrophobicContact CG-CG 4.48Å; R159-E163 IonicContact CZ-OE1 2.81Å; R159-E163 IonicContact NE-OE1 3.28Å; R159-E163 PolarHBondContact NE-OE1 2.93Å; R159-E163 IonicContact NE-OE2 2.65Å; R159-E163 IonicContact NH2-OE1 3.58Å; R159-E163 PolarHBondContact NH2-OE1 2.98Å; R159-E163 WeakPolarHBondContact O-CG 3.29Å; R159-E163 PolarHBondContact O-N 3.43Å; E163-Q167 PolarHBondContact O-N 3.17Å
164L85.4Confident84.9Confident28 Ų2842.8 Ų42.815%0.14722%0.222CC..Hα-helixtrans-71.1-41176.4-175.663.1000113.3T115 L118 Q119 L122 T160 S161 V162 L166 Q167 R168T115-L164 HydrophobicContact CG2-CD2 4.35Å; L118-L164 HydrophobicContact CD2-CD2 4.2Å; L118-L164 HydrophobicContact CG-CD2 4.18Å; Q119-L164 HydrophobicContact CB-CD2 3.99Å; L122-L164 HydrophobicContact CD1-CD2 4.11Å; L122-L164 HydrophobicContact CD1-CG 3.97Å; T160-L164 WeakPolarHBondContact O-CB 3.48Å; T160-L164 PolarHBondContact O-N 2.81Å; T160-L164 VanDerWaalsContact O-N 3.16Å; S161-L164 PolarHBondContact O-N 3.35Å; V162-L164 VanDerWaalsContact C-N 3.28Å; V162-L164 PolarHBondContact O-N 3.13Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 3.01Å; L164-Q167 PolarHBondContact O-N 3.25Å; L164-R168 PolarHBondContact O-N 3.16Å
165L86.6Confident84.8Confident0 Ų047.9 Ų47.90%025%0.246CC..Hα-helixtrans-59.5-44.6174-75.9170000110.9L118 L122 I139 L150 A153 S161 V162 R168 G169 A170L118-L165 HydrophobicContact CD1-CD2 4.14Å; L118-L165 HydrophobicContact CD2-CD2 4.49Å; L118-L165 HydrophobicContact CD2-CG 4.16Å; L122-L165 HydrophobicContact CD1-CD2 4.43Å; I139-L165 HydrophobicContact CG2-CD2 3.99Å; L150-L165 HydrophobicContact CB-CD1 4.48Å; L150-L165 HydrophobicContact CD1-CB 4.13Å; L150-L165 HydrophobicContact CD1-CD1 3.94Å; A153-L165 HydrophobicContact CB-CD1 3.98Å; S161-L165 VanDerWaalsContact O-CG 3.3Å; S161-L165 WeakPolarHBondContact O-CG 3.28Å; S161-L165 PolarHBondContact O-N 3.18Å; V162-L165 PolarHBondContact O-N 3.18Å; L165-R168 CarbonylContact O-C 3.24Å; L165-R168 PolarHBondContact O-N 3.29Å; L165-G169 PolarHBondContact O-N 3.45Å; L165-A170 HydrophobicContact CB-CB 3.87Å; L165-A170 WeakPolarHBondContact O-CB 2.95Å; L165-A170 PolarHBondContact O-N 2.83Å; L165-A170 VanDerWaalsContact O-N 3.1Å
166L85.4Confident84.8Confident22 Ų2247.9 Ų47.912%0.11524%0.244CC..Hα-helixtrans-68.5-34.7179.5-65.6170.5000112.4L150 V162 L164 R168 G169 A170 L172 L198L150-L166 HydrophobicContact CD1-CD2 4.44Å; L150-L166 HydrophobicContact CD1-CG 4.44Å; L150-L166 HydrophobicContact CD2-CD2 3.96Å; V162-L166 HydrophobicContact CG1-CD1 3.72Å; V162-L166 HydrophobicContact CG1-CG 4.43Å; V162-L166 VanDerWaalsContact O-CG 3.26Å; V162-L166 WeakPolarHBondContact O-CG 3.34Å; V162-L166 PolarHBondContact O-N 3.05Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 3.01Å; L166-R168 PolarHBondContact O-N 3.12Å; L166-G169 PolarHBondContact O-N 2.93Å; L166-A170 HydrophobicContact CD2-CB 4.37Å; L166-L172 HydrophobicContact CD1-CD2 4.22Å; L166-L172 HydrophobicContact CD2-CD1 4.16Å; L166-L172 HydrophobicContact CD2-CD2 3.47Å; L166-L172 VanDerWaalsContact CD2-CD2 3.47Å; L166-L172 HydrophobicContact CD2-CG 3.55Å; L166-L198 HydrophobicContact CD1-CD2 3.91Å
167Q83.7Confident85.1Confident136 Ų13653.4 Ų53.464%0.63627%0.269SS*.Hα-helixtrans-63.1-21.6170.7-167.6-179.318.400112.9E163 L164E163-Q167 PolarHBondContact O-N 3.17Å; L164-Q167 PolarHBondContact O-N 3.25Å
168R83Confident85.1Confident128 Ų12857.8 Ų57.848%0.48329%0.288SS..THydrogen-bonded Turntrans-102.511178-64.7-56.3-163.287.27.1114.4L122 I139 L164 L165 L166L122-R168 HydrophobicContact CD1-CG 4.3Å; L122-R168 PolarHBondContact O-NH1 2.8Å; L122-R168 PolarHBondContact O-NH2 2.95Å; I139-R168 HydrophobicContact CD1-CB 3.51Å; I139-R168 WeakPolarHBondContact CD1-O 3.46Å; L164-R168 PolarHBondContact O-N 3.16Å; L165-R168 CarbonylContact O-C 3.24Å; L165-R168 PolarHBondContact O-N 3.29Å; L166-R168 PolarHBondContact O-N 3.12Å
169G81.7Confident85Confident46 Ų4666.9 Ų66.947%0.47432%0.322SS..THydrogen-bonded Turntrans85.431.7174.700000115N140 L165 L166N140-G169 PolarHBondContact ND2-O 3.05Å; L165-G169 PolarHBondContact O-N 3.45Å; L166-G169 PolarHBondContact O-N 2.93Å
170A85Confident85.1Confident8 Ų862.7 Ų62.77%0.06631%0.307CS..  trans-64.7131.7169.800000111.8I139 N140 L150 L165 L166 L172I139-A170 HydrophobicContact CG2-CB 3.59Å; N140-A170 VanDerWaalsContact OD1-CA 3.31Å; N140-A170 WeakPolarHBondContact OD1-CA 3.14Å; L150-A170 HydrophobicContact CD2-CB 4.02Å; L165-A170 HydrophobicContact CB-CB 3.87Å; L165-A170 WeakPolarHBondContact O-CB 2.95Å; L165-A170 PolarHBondContact O-N 2.83Å; L165-A170 VanDerWaalsContact O-N 3.1Å; L166-A170 HydrophobicContact CD2-CB 4.37Å; A170-L172 PolarHBondContact O-N 3.48Å
171D83.6Confident85.1Confident83 Ų8360 Ų6044%0.44429%0.29SS..  trans-73.1112.8-175.7-73.1-40000112.2N140 F173 V174N140-D171 VanDerWaalsContact CG-OD2 3.23Å; N140-D171 PolarHBondContact ND2-OD2 3.47Å; N140-D171 PolarHBondContact OD1-N 2.89Å; D171-F173 VanDerWaalsContact C-N 3.34Å; D171-F173 PolarHBondContact O-N 3.17Å; D171-V174 HydrophobicContact CB-CG2 3.53Å
172L84.1Confident85.2Confident22 Ų2260 Ų6012%0.11529%0.29CS..THydrogen-bonded Turntrans-68.7-26.4179.8-81.6166.7000114.6L150 L166 A170 L198 Q201 M202L150-L172 HydrophobicContact CD2-CD2 4.48Å; L166-L172 HydrophobicContact CD1-CD2 4.22Å; L166-L172 HydrophobicContact CD2-CD1 4.16Å; L166-L172 HydrophobicContact CD2-CD2 3.47Å; L166-L172 VanDerWaalsContact CD2-CD2 3.47Å; L166-L172 HydrophobicContact CD2-CG 3.55Å; A170-L172 PolarHBondContact O-N 3.48Å; L172-L198 HydrophobicContact CD2-CD2 3.65Å; L172-Q201 HydrophobicContact CD1-CB 4.1Å; L172-M202 HydrophobicContact CB-CG 4.04Å; L172-M202 HydrophobicContact CD1-CG 4.24Å; L172-M202 HydrophobicContact CD2-CG 4.12Å; L172-M202 HydrophobicContact CG-CG 4.38Å
173F83.9Confident85.2Confident92 Ų9260 Ų6040%0.40429%0.29SS..THydrogen-bonded Turntrans-104.29.5-167.2-58.6-77.5000114.2D171 E175 M202 R705 P707D171-F173 VanDerWaalsContact C-N 3.34Å; D171-F173 PolarHBondContact O-N 3.17Å; F173-E175 PolarHBondContact O-N 2.95Å; F173-M202 HydrophobicContact CD1-CE 3.59Å; F173-M202 HydrophobicContact CE1-CB 3.92Å; F173-M202 HydrophobicContact CE1-CE 3.75Å; F173-M202 HydrophobicContact CE1-CG 4.08Å; F173-M202 HydrophobicContact CZ-CB 4.12Å; F173-M202 HydrophobicContact CZ-CG 4.37Å; F173-R705 WeakPolarHBondContact CE1-O 3.23Å; F173-P707 HydrophobicContact CE1-CG 4.48Å; F173-P707 HydrophobicContact CZ-CB 4.13Å; F173-P707 HydrophobicContact CZ-CG 4.26Å
174V84.8Confident85.1Confident36 Ų3657.3 Ų57.322%0.21828%0.278CS..  trans-68.4131176.3-177.60000109.5T148 H151 D171T148-V174 HydrophobicContact CG2-CB 4.32Å; T148-V174 HydrophobicContact CG2-CG1 4.05Å; T148-V174 HydrophobicContact CG2-CG2 4.26Å; H151-V174 PolarHBondContact CE1-O 3.47Å; H151-V174 PolarHBondContact NE2-O 2.93Å; D171-V174 HydrophobicContact CB-CG2 3.53Å
175E86.7Confident85.1Confident107 Ų10756.6 Ų56.650%0.528%0.276SS..  trans-99.5130.8171.1-75.2-175.9-165.700110.3F173 R179 E180 T181F173-E175 PolarHBondContact O-N 2.95Å; E175-R179 WeakPolarHBondContact OE2-CB 3.37Å; E175-E180 WeakPolarHBondContact CA-O 3.47Å; E175-T181 HydrophobicContact CG-CG2 4.19Å
176N86.6Confident85.2Confident14 Ų1456.6 Ų56.68%0.07528%0.276CS..  trans-76.2-177.9170.873.110.3000112.3N147 N178 R179 E180N147-N176 WeakPolarHBondContact OD1-CB 3.25Å; N147-N176 PolarHBondContact OD1-ND2 3.3Å; N176-N178 PolarHBondContact O-N 3.14Å; N176-N178 WeakPolarHBondContact OD1-CB 3.39Å; N176-N178 PolarHBondContact OD1-N 3.13Å; N176-R179 PolarHBondContact O-N 3.33Å; N176-E180 PolarHBondContact N-O 2.66Å; N176-E180 WeakPolarHBondContact OD1-CB 3.12Å; N176-E180 PolarHBondContact OD1-N 3.5Å; N176-E180 VanDerWaalsContact OD1-N 3.11Å
177E89.8Confident85.1Confident121 Ų12158.9 Ų58.957%0.56529%0.286SS*.THydrogen-bonded Turntrans-55.9-23.8179.6-79.7-171.6141.200115.1K145 K146K145-E177 WeakPolarHBondContact CA-OE2 3.37Å; K145-E177 WeakPolarHBondContact O-CG 3.31Å; K145-E177 PolarHBondContact O-N 2.96Å; K146-E177 HydrophobicContact CD-CG 4.19Å; K146-E177 HydrophobicContact CG-CG 4.18Å
178N84.4Confident85.2Confident114 Ų11458 Ų5861%0.6128%0.279SS*.THydrogen-bonded Turntrans-88.1-0.4177.6-62.8-11.9000113.7N176 E180N176-N178 PolarHBondContact O-N 3.14Å; N176-N178 WeakPolarHBondContact OD1-CB 3.39Å; N176-N178 PolarHBondContact OD1-N 3.13Å; N178-E180 HydrophobicContact CB-CG 3.89Å; N178-E180 WeakPolarHBondContact CB-OE1 3.14Å; N178-E180 PolarHBondContact ND2-OE1 3.44Å
179R81.8Confident85.2Confident201 Ų20157.1 Ų57.176%0.75828%0.281SS*.SBendtrans6435.4-167.4-50.3-177-173.2-175.2-1.5113.9E175 N176E175-R179 WeakPolarHBondContact OE2-CB 3.37Å; N176-R179 PolarHBondContact O-N 3.33Å
180E84.9Confident85.3Confident27 Ų2762 Ų6213%0.12629%0.291CS..  trans-101.4136174.4-61.5165.8-142.700109.4H151 E175 N176 N178 D184 K188H151-E180 PolarHBondContact NE2-O 2.71Å; E175-E180 WeakPolarHBondContact CA-O 3.47Å; N176-E180 PolarHBondContact N-O 2.66Å; N176-E180 WeakPolarHBondContact OD1-CB 3.12Å; N176-E180 PolarHBondContact OD1-N 3.5Å; N176-E180 VanDerWaalsContact OD1-N 3.11Å; N178-E180 HydrophobicContact CB-CG 3.89Å; N178-E180 WeakPolarHBondContact CB-OE1 3.14Å; N178-E180 PolarHBondContact ND2-OE1 3.44Å; E180-D184 HydrophobicContact CB-CB 4.12Å; E180-K188 IonicContact OE1-NZ 2.88Å; E180-K188 PolarHBondContact OE1-NZ 2.9Å; E180-K188 WeakPolarHBondContact OE2-CD 3.39Å; E180-K188 WeakPolarHBondContact OE2-CE 3.38Å; E180-K188 IonicContact OE2-NZ 3.97Å; E180-K188 PolarHBondContact OE2-NZ 2.84Å
181T87.3Confident85.3Confident5 Ų564.7 Ų64.73%0.03130%0.302CS..  trans-89.7167.1170.567.80000110.6E175 C183 D184 C185 M202E175-T181 HydrophobicContact CG-CG2 4.19Å; T181-C183 PolarHBondContact O-N 2.87Å; T181-C183 VanDerWaalsContact O-N 3.13Å; T181-D184 WeakPolarHBondContact CB-OD2 3.48Å; T181-D184 PolarHBondContact N-OD2 3.09Å; T181-D184 WeakPolarHBondContact O-CB 3.36Å; T181-D184 PolarHBondContact O-N 2.72Å; T181-D184 PolarHBondContact OG1-OD2 2.96Å; T181-C185 PolarHBondContact O-N 2.79Å; T181-C185 VanDerWaalsContact O-N 3.13Å; T181-M202 HydrophobicContact CG2-CE 4.4Å
182P87.3Confident85.3Confident1 Ų168.1 Ų68.11%0.00631%0.313CS..Hα-helixtrans-54.3-33.2174-26.434000113.9L150 A154 D184 C185 A186L150-P182 HydrophobicContact CB-CG 4.36Å; L150-P182 HydrophobicContact CD2-CB 4.22Å; L150-P182 HydrophobicContact CD2-CG 3.93Å; L150-P182 HydrophobicContact CG-CB 3.95Å; L150-P182 HydrophobicContact CG-CG 3.98Å; A154-P182 HydrophobicContact CB-CB 4.14Å; A154-P182 WeakPolarHBondContact CB-O 3.47Å; P182-D184 VanDerWaalsContact C-N 3.34Å; P182-C185 PolarHBondContact O-N 3.04Å; P182-A186 PolarHBondContact O-N 2.97Å; P182-A186 VanDerWaalsContact O-N 3.12Å
183C86.6Confident85.3Confident2 Ų273 Ų731%0.01434%0.34CS..Hα-helixtrans-64.3-38.4175.8-170.70000112.1T181 A186 E187 A195 L198 M202T181-C183 PolarHBondContact O-N 2.87Å; T181-C183 VanDerWaalsContact O-N 3.13Å; C183-A186 PolarHBondContact O-N 3.25Å; C183-E187 PolarHBondContact O-N 2.9Å; C183-A195 PolarHBondContact SG-O 3.47Å; C183-L198 HydrophobicContact CB-CB 4.17Å; C183-M202 HydrophobicContact CB-SD 3.94Å
184D84Confident85.4Confident11 Ų1169 Ų696%0.05932%0.322CS..Hα-helixtrans-70.6-36.8178.4-56.5-52.1000111.5E180 T181 P182 A186 E187 K188 R705E180-D184 HydrophobicContact CB-CB 4.12Å; T181-D184 WeakPolarHBondContact CB-OD2 3.48Å; T181-D184 PolarHBondContact N-OD2 3.09Å; T181-D184 WeakPolarHBondContact O-CB 3.36Å; T181-D184 PolarHBondContact O-N 2.72Å; T181-D184 PolarHBondContact OG1-OD2 2.96Å; P182-D184 VanDerWaalsContact C-N 3.34Å; D184-A186 VanDerWaalsContact C-N 3.32Å; D184-A186 PolarHBondContact O-N 3.48Å; D184-E187 PolarHBondContact O-N 2.67Å; D184-K188 WeakPolarHBondContact O-CB 3.37Å; D184-K188 WeakPolarHBondContact O-CG 3.44Å; D184-K188 PolarHBondContact O-N 2.63Å; D184-R705 VanDerWaalsContact CG-NE 3.29Å; D184-R705 IonicContact OD1-CZ 2.65Å; D184-R705 IonicContact OD1-NE 3.76Å; D184-R705 PolarHBondContact OD1-NE 2.84Å; D184-R705 IonicContact OD1-NH2 2.78Å; D184-R705 PolarHBondContact OD1-NH2 2.66Å; D184-R705 IonicContact OD2-CZ 3.18Å; D184-R705 IonicContact OD2-NE 2.67Å; D184-R705 PolarHBondContact OD2-NE 3.36Å
185C86.5Confident85.4Confident13 Ų1367.5 Ų67.59%0.08831%0.313CS..Hα-helixtrans-63.9-36.3173.5-61.10000112.2A155 T181 P182 Q189A155-C185 HydrophobicContact CB-CB 4.12Å; T181-C185 PolarHBondContact O-N 2.79Å; T181-C185 VanDerWaalsContact O-N 3.13Å; P182-C185 PolarHBondContact O-N 3.04Å; C185-Q189 WeakPolarHBondContact O-CG 3.41Å; C185-Q189 PolarHBondContact O-N 3.32Å
186A87.6Confident85.4Confident0 Ų065 Ų650%030%0.303CS..Hα-helixtrans-67.6-41.5170.900000112.6A154 P182 C183 D184 Q189 H190 H191 A195 L198A154-A186 HydrophobicContact CB-CB 4.17Å; P182-A186 PolarHBondContact O-N 2.97Å; P182-A186 VanDerWaalsContact O-N 3.12Å; C183-A186 PolarHBondContact O-N 3.25Å; D184-A186 VanDerWaalsContact C-N 3.32Å; D184-A186 PolarHBondContact O-N 3.48Å; A186-Q189 CarbonylContact O-C 3.52Å; A186-Q189 PolarHBondContact O-N 3.44Å; A186-H190 PolarHBondContact O-N 3.45Å; A186-H190 VanDerWaalsContact O-N 3.17Å; A186-H191 HydrophobicContact CB-CB 4.35Å; A186-H191 PolarHBondContact O-N 3.43Å; A186-A195 HydrophobicContact CB-CB 4.25Å; A186-L198 HydrophobicContact CB-CD1 4.36Å
187E83.8Confident85.3Confident70 Ų7064.9 Ų64.933%0.32730%0.303SS..Hα-helixtrans-64.1-43.9178.9-162.5-148.8174.700112.4C183 D184 Q189 H190 Y703C183-E187 PolarHBondContact O-N 2.9Å; D184-E187 PolarHBondContact O-N 2.67Å; E187-Q189 PolarHBondContact O-N 3.24Å; E187-H190 VanDerWaalsContact O-CA 3.28Å; E187-H190 WeakPolarHBondContact O-CA 3.47Å; E187-H190 PolarHBondContact O-N 3.36Å; E187-H190 PolarHBondContact O-ND1 3.13Å; E187-Y703 VanDerWaalsContact CD-CZ 3.4Å; E187-Y703 HydrophobicContact CG-CE2 4Å; E187-Y703 WeakPolarHBondContact CG-OH 3.37Å; E187-Y703 WeakPolarHBondContact OE1-CE2 3.45Å; E187-Y703 VanDerWaalsContact OE1-CZ 3.25Å; E187-Y703 PolarHBondContact OE1-OH 3.44Å; E187-Y703 WeakPolarHBondContact OE2-CE2 3.24Å
188K84.9Confident85.1Confident116 Ų11659.2 Ų59.250%0.50428%0.277SS..Hα-helixtrans-59.3-33.9177.7-79.8-175.8171.4-165.50113.4E180 D184 H190E180-K188 IonicContact OE1-NZ 2.88Å; E180-K188 PolarHBondContact OE1-NZ 2.9Å; E180-K188 WeakPolarHBondContact OE2-CD 3.39Å; E180-K188 WeakPolarHBondContact OE2-CE 3.38Å; E180-K188 IonicContact OE2-NZ 3.97Å; E180-K188 PolarHBondContact OE2-NZ 2.84Å; D184-K188 WeakPolarHBondContact O-CB 3.37Å; D184-K188 WeakPolarHBondContact O-CG 3.44Å; D184-K188 PolarHBondContact O-N 2.63Å; K188-H190 VanDerWaalsContact C-N 3.27Å
189Q84.1Confident85.2Confident110 Ų11054 Ų5451%0.51425%0.249SC..THydrogen-bonded Turntrans-91.39.1174.8-55.1-65.6-4.700112.3A155 C185 A186 E187 H191A155-Q189 HydrophobicContact CB-CG 4.31Å; A155-Q189 WeakPolarHBondContact O-CG 3Å; C185-Q189 WeakPolarHBondContact O-CG 3.41Å; C185-Q189 PolarHBondContact O-N 3.32Å; A186-Q189 CarbonylContact O-C 3.52Å; A186-Q189 PolarHBondContact O-N 3.44Å; E187-Q189 PolarHBondContact O-N 3.24Å; Q189-H191 VanDerWaalsContact C-N 3.3Å; Q189-H191 PolarHBondContact O-N 3.21Å
190H83.6Confident85.3Confident148 Ų14844.5 Ų44.569%0.68521%0.213SC*.THydrogen-bonded Turntrans63.423.8175.1-54.8-24.5000115.6A186 E187 K188 K192A186-H190 PolarHBondContact O-N 3.45Å; A186-H190 VanDerWaalsContact O-N 3.17Å; E187-H190 VanDerWaalsContact O-CA 3.28Å; E187-H190 WeakPolarHBondContact O-CA 3.47Å; E187-H190 PolarHBondContact O-N 3.36Å; E187-H190 PolarHBondContact O-ND1 3.13Å; K188-H190 VanDerWaalsContact C-N 3.27Å; H190-K192 PolarHBondContact O-N 2.7Å
191H85.1Confident85.2Confident65 Ų6544.5 Ų44.530%0.30121%0.213SC..  trans-79.462.9176.2-62.3-51.3000112.2G157 A186 Q189 D193 L194 A195G157-H191 VanDerWaalsContact CA-CD2 3.41Å; G157-H191 WeakPolarHBondContact CA-CD2 3.05Å; G157-H191 PolarHBondContact N-CD2 3.31Å; G157-H191 PolarHBondContact N-NE2 2.9Å; A186-H191 HydrophobicContact CB-CB 4.35Å; A186-H191 PolarHBondContact O-N 3.43Å; Q189-H191 VanDerWaalsContact C-N 3.3Å; Q189-H191 PolarHBondContact O-N 3.21Å; H191-D193 PolarHBondContact O-N 3.45Å; H191-L194 HydrophobicContact CB-CB 4.23Å; H191-L194 WeakPolarHBondContact O-CB 3.4Å; H191-L194 PolarHBondContact O-N 3.07Å; H191-L194 VanDerWaalsContact O-N 3.09Å; H191-A195 PolarHBondContact O-N 3Å
192K83.7Confident85Confident155 Ų15544.4 Ų44.467%0.67421%0.212SC*.Hα-helixtrans-53.7-45-170.3-64.7-173.8179.4-1740114.7H190 L194 A195 L196H190-K192 PolarHBondContact O-N 2.7Å; K192-L194 VanDerWaalsContact C-N 3.27Å; K192-L194 PolarHBondContact O-N 2.73Å; K192-A195 PolarHBondContact O-N 3.25Å; K192-L196 WeakPolarHBondContact O-CB 3.3Å; K192-L196 PolarHBondContact O-N 3.31Å
193D84.2Confident84.8Confident126 Ų12644.3 Ų44.367%0.67421%0.212SC*.Hα-helixtrans-68.4-29.7-177.5-53.8-36.7000112.2H191 S197H191-D193 PolarHBondContact O-N 3.45Å; D193-S197 PolarHBondContact O-N 3.5Å
194L85.1Confident84.4Confident8 Ų845.3 Ų45.34%0.04222%0.216CC..Hα-helixtrans-76.8-41174.5-175.257.1000111.1R159 V162 H191 K192 L196 S197 L198R159-L194 HydrophobicContact CB-CD1 4.18Å; R159-L194 HydrophobicContact CG-CD1 4.24Å; V162-L194 HydrophobicContact CB-CD1 4.13Å; V162-L194 HydrophobicContact CG1-CD1 4.01Å; V162-L194 HydrophobicContact CG2-CD1 4.35Å; V162-L194 HydrophobicContact CG2-CD2 4.29Å; H191-L194 HydrophobicContact CB-CB 4.23Å; H191-L194 WeakPolarHBondContact O-CB 3.4Å; H191-L194 PolarHBondContact O-N 3.07Å; H191-L194 VanDerWaalsContact O-N 3.09Å; K192-L194 VanDerWaalsContact C-N 3.27Å; K192-L194 PolarHBondContact O-N 2.73Å; L194-L196 VanDerWaalsContact C-N 3.35Å; L194-L196 PolarHBondContact O-N 3.29Å; L194-S197 PolarHBondContact O-N 3.16Å; L194-L198 HydrophobicContact CG-CD1 4.23Å; L194-L198 WeakPolarHBondContact O-CB 3.4Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.01Å
195A85.8Confident84Confident3 Ų346.2 Ų46.23%0.02522%0.223CC..Hα-helixtrans-60.3-42.317300000111.6C183 A186 H191 K192 S197 L198 E199C183-A195 PolarHBondContact SG-O 3.47Å; A186-A195 HydrophobicContact CB-CB 4.25Å; H191-A195 PolarHBondContact O-N 3Å; K192-A195 PolarHBondContact O-N 3.25Å; A195-S197 PolarHBondContact O-N 3.11Å; A195-L198 PolarHBondContact O-N 3.09Å; A195-E199 VanDerWaalsContact O-CB 3.28Å; A195-E199 WeakPolarHBondContact O-CB 3.46Å; A195-E199 PolarHBondContact O-N 3.17Å
196L85.7Confident82.9Confident56 Ų5653.5 Ų53.529%0.29326%0.261SS..Hα-helixtrans-61.3-41.4174.5-170.580.4000112.4K192 L194 S200 L630 A633K192-L196 WeakPolarHBondContact O-CB 3.3Å; K192-L196 PolarHBondContact O-N 3.31Å; L194-L196 VanDerWaalsContact C-N 3.35Å; L194-L196 PolarHBondContact O-N 3.29Å; L196-S200 WeakPolarHBondContact O-CB 3.47Å; L196-S200 PolarHBondContact O-N 2.91Å; L196-L630 HydrophobicContact CD1-CD2 3.75Å; L196-L630 HydrophobicContact CG-CD2 4.28Å; L196-A633 HydrophobicContact CD2-CB 4.03Å; L196-A633 HydrophobicContact CG-CB 4.24Å
197S85.1Confident81.6Confident11 Ų1154.9 Ų54.98%0.07727%0.272CS..Hα-helixtrans-67.1-39.3177.1-174.90000112.5D193 L194 A195 Q201D193-S197 PolarHBondContact O-N 3.5Å; L194-S197 PolarHBondContact O-N 3.16Å; A195-S197 PolarHBondContact O-N 3.11Å; S197-Q201 WeakPolarHBondContact O-CG 3.46Å; S197-Q201 PolarHBondContact O-N 3.22Å; S197-Q201 PolarHBondContact O-NE2 3.46Å
198L85.3Confident80.4Confident1 Ų157.4 Ų57.41%0.00529%0.294CS..Hα-helixtrans-67.6-49.3174.4-77167.7000111.4A154 V162 L166 L172 C183 A186 L194 A195 S200 Q201 M202A154-L198 HydrophobicContact CB-CD1 3.98Å; V162-L198 HydrophobicContact CG1-CD2 3.76Å; V162-L198 HydrophobicContact CG1-CG 4.28Å; L166-L198 HydrophobicContact CD1-CD2 3.91Å; L172-L198 HydrophobicContact CD2-CD2 3.65Å; C183-L198 HydrophobicContact CB-CB 4.17Å; A186-L198 HydrophobicContact CB-CD1 4.36Å; L194-L198 HydrophobicContact CG-CD1 4.23Å; L194-L198 WeakPolarHBondContact O-CB 3.4Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.01Å; A195-L198 PolarHBondContact O-N 3.09Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.75Å; L198-Q201 PolarHBondContact O-N 3.4Å; L198-Q201 VanDerWaalsContact O-N 3.16Å; L198-M202 WeakPolarHBondContact O-CG 3.43Å; L198-M202 PolarHBondContact O-N 3.02Å
199E85.9Confident79Confident5 Ų557.4 Ų57.42%0.02330%0.296CS..Hα-helixtrans-56.5-45.5177.4-180177.2-158.600111.4A195 Q201 M202 V203 K626 L630 Y703 L704A195-E199 VanDerWaalsContact O-CB 3.28Å; A195-E199 WeakPolarHBondContact O-CB 3.46Å; A195-E199 PolarHBondContact O-N 3.17Å; E199-Q201 VanDerWaalsContact C-N 3.34Å; E199-Q201 PolarHBondContact O-N 2.87Å; E199-M202 WeakPolarHBondContact O-CB 3.47Å; E199-M202 PolarHBondContact O-N 2.65Å; E199-V203 HydrophobicContact CG-CG2 4.44Å; E199-V203 WeakPolarHBondContact O-CG2 3.47Å; E199-V203 PolarHBondContact O-N 2.67Å; E199-K626 WeakPolarHBondContact OE1-CE 3.39Å; E199-K626 IonicContact OE1-NZ 2.78Å; E199-K626 PolarHBondContact OE1-NZ 3.14Å; E199-K626 WeakPolarHBondContact OE2-CE 3.38Å; E199-K626 IonicContact OE2-NZ 3.5Å; E199-L630 HydrophobicContact CB-CD2 4.05Å; E199-L630 HydrophobicContact CG-CD1 4.04Å; E199-L630 HydrophobicContact CG-CD2 3.79Å; E199-Y703 VanDerWaalsContact OE1-CA 3.28Å; E199-Y703 WeakPolarHBondContact OE1-CA 3.49Å; E199-L704 PolarHBondContact OE1-N 3.01Å
200S85Confident77.6Confident1 Ų152.7 Ų52.71%0.00728%0.276CS..Hα-helixtrans-60.9-43.2178.1-1740000111.7L196 L198 M202 V203 F204 L630 L634L196-S200 WeakPolarHBondContact O-CB 3.47Å; L196-S200 PolarHBondContact O-N 2.91Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.75Å; S200-M202 PolarHBondContact O-N 3.35Å; S200-V203 PolarHBondContact O-N 3.39Å; S200-F204 WeakPolarHBondContact O-CB 3.37Å; S200-F204 VanDerWaalsContact O-CD2 3.25Å; S200-F204 WeakPolarHBondContact O-CD2 3.36Å; S200-F204 PolarHBondContact O-N 3.42Å; S200-L630 PolarHBondContact OG-O 3.34Å; S200-L634 WeakPolarHBondContact OG-CD1 3.3Å
201Q83Confident76.3Confident28 Ų2853.7 Ų53.713%0.13128%0.281CS..Hα-helixtrans-69.6-29.3175.8-72.5178.385.500113.4L172 S197 L198 E199 S205 L634L172-Q201 HydrophobicContact CD1-CB 4.1Å; S197-Q201 WeakPolarHBondContact O-CG 3.46Å; S197-Q201 PolarHBondContact O-N 3.22Å; S197-Q201 PolarHBondContact O-NE2 3.46Å; L198-Q201 PolarHBondContact O-N 3.4Å; L198-Q201 VanDerWaalsContact O-N 3.16Å; E199-Q201 VanDerWaalsContact C-N 3.34Å; E199-Q201 PolarHBondContact O-N 2.87Å; Q201-S205 WeakPolarHBondContact O-CB 3.12Å; Q201-S205 PolarHBondContact O-N 3.18Å; Q201-L634 HydrophobicContact CG-CD1 3.94Å
202M82.9Confident75Confident2 Ų252.7 Ų52.71%0.0129%0.289CS..Hα-helixtrans-67.7-50.2171.4-70.3174.287.100111.1L172 F173 T181 C183 L198 E199 S200 S205 R705L172-M202 HydrophobicContact CB-CG 4.04Å; L172-M202 HydrophobicContact CD1-CG 4.24Å; L172-M202 HydrophobicContact CD2-CG 4.12Å; L172-M202 HydrophobicContact CG-CG 4.38Å; F173-M202 HydrophobicContact CD1-CE 3.59Å; F173-M202 HydrophobicContact CE1-CB 3.92Å; F173-M202 HydrophobicContact CE1-CE 3.75Å; F173-M202 HydrophobicContact CE1-CG 4.08Å; F173-M202 HydrophobicContact CZ-CB 4.12Å; F173-M202 HydrophobicContact CZ-CG 4.37Å; T181-M202 HydrophobicContact CG2-CE 4.4Å; C183-M202 HydrophobicContact CB-SD 3.94Å; L198-M202 WeakPolarHBondContact O-CG 3.43Å; L198-M202 PolarHBondContact O-N 3.02Å; E199-M202 WeakPolarHBondContact O-CB 3.47Å; E199-M202 PolarHBondContact O-N 2.65Å; S200-M202 PolarHBondContact O-N 3.35Å; M202-S205 PolarHBondContact O-N 3.1Å; M202-S205 PolarHBondContact O-OG 3.15Å; M202-R705 HydrophobicContact CE-CB 4.07Å
203V82.5Confident73.9Confident0 Ų045.8 Ų45.80%026%0.259CS..Hα-helixtrans-61.8-49.3-179.5172.40000111.3E199 S200 S205 M627 L630 F646 L704 R708E199-V203 HydrophobicContact CG-CG2 4.44Å; E199-V203 WeakPolarHBondContact O-CG2 3.47Å; E199-V203 PolarHBondContact O-N 2.67Å; S200-V203 PolarHBondContact O-N 3.39Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 2.74Å; V203-M627 HydrophobicContact CG1-CE 4.06Å; V203-M627 HydrophobicContact CG1-SD 4.04Å; V203-L630 HydrophobicContact CG2-CD1 4.14Å; V203-F646 HydrophobicContact CG1-CZ 3.89Å; V203-L704 HydrophobicContact CG2-CB 3.54Å; V203-L704 HydrophobicContact CG2-CD1 4.31Å; V203-L704 VanDerWaalsContact CG2-O 3.32Å; V203-L704 WeakPolarHBondContact CG2-O 3.48Å; V203-R708 WeakPolarHBondContact O-CB 3.4Å; V203-R708 PolarHBondContact O-N 2.82Å
204F78.7Confident72.6Confident23 Ų2343.5 Ų43.510%0.10124%0.244CC..THydrogen-bonded Turntrans-92.122.1-176.4-58.5-62.1000113.9S200 L206 M627 L630 L634 P642 D643 F646S200-F204 WeakPolarHBondContact O-CB 3.37Å; S200-F204 VanDerWaalsContact O-CD2 3.25Å; S200-F204 WeakPolarHBondContact O-CD2 3.36Å; S200-F204 PolarHBondContact O-N 3.42Å; F204-L206 PolarHBondContact O-N 3.04Å; F204-M627 HydrophobicContact CE1-SD 4.12Å; F204-M627 HydrophobicContact CE2-SD 4.26Å; F204-M627 HydrophobicContact CZ-CG 4.39Å; F204-M627 HydrophobicContact CZ-SD 3.5Å; F204-M627 VanDerWaalsContact CZ-SD 3.5Å; F204-L630 HydrophobicContact CE2-CB 4Å; F204-L634 HydrophobicContact CB-CD2 3.77Å; F204-L634 HydrophobicContact CD2-CD1 4.43Å; F204-L634 HydrophobicContact CD2-CD2 3.91Å; F204-L634 HydrophobicContact CG-CD2 4.04Å; F204-P642 HydrophobicContact CD1-CB 3.58Å; F204-P642 HydrophobicContact CD1-CG 3.96Å; F204-P642 HydrophobicContact CD2-CB 4.49Å; F204-P642 HydrophobicContact CD2-CG 4.02Å; F204-P642 HydrophobicContact CE1-CB 3.61Å; F204-P642 HydrophobicContact CE1-CG 3.78Å; F204-P642 HydrophobicContact CE2-CG 3.83Å; F204-P642 HydrophobicContact CG-CB 4.05Å; F204-P642 HydrophobicContact CG-CG 4.08Å; F204-P642 HydrophobicContact CZ-CB 4.09Å; F204-P642 HydrophobicContact CZ-CG 3.7Å; F204-D643 WeakPolarHBondContact CE1-O 3.45Å; F204-F646 HydrophobicContact CE1-CE1 4.15Å
205S75.1Confident71.4Confident30 Ų3046.3 Ų46.321%0.2127%0.268CS..  trans-65.6118.4176.151.50000111.7Q201 M202 V203 A207 P707Q201-S205 WeakPolarHBondContact O-CB 3.12Å; Q201-S205 PolarHBondContact O-N 3.18Å; M202-S205 PolarHBondContact O-N 3.1Å; M202-S205 PolarHBondContact O-OG 3.15Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 2.74Å; S205-A207 PolarHBondContact O-N 3.4Å; S205-P707 WeakPolarHBondContact OG-CB 3.4Å
206L64.9Low70.1Confident166 Ų16652.4 Ų52.487%0.86930%0.297SS*.  trans-77.182.8177.7-65.4176.4000110.5F204F204-L206 PolarHBondContact O-N 3.04Å
207A60.2Low68.8Low28 Ų2851.8 Ų51.823%0.23129%0.291CS..  trans-76.3138165.500000109.8S205 E209 A210S205-A207 PolarHBondContact O-N 3.4Å; A207-E209 PolarHBondContact O-N 2.87Å; A207-E209 VanDerWaalsContact O-N 3.1Å; A207-A210 VanDerWaalsContact O-CB 3.23Å; A207-A210 WeakPolarHBondContact O-CB 3.37Å; A207-A210 PolarHBondContact O-N 2.88Å
208P57Low67.5Low124 Ų12454 Ų5481%0.80531%0.31SS*.THydrogen-bonded Turntrans-63.9-16.6179.526.2-34.8000113.6A210P208-A210 PolarHBondContact O-N 2.79Å
209E56.3Low66.1Low115 Ų11556.7 Ų56.754%0.53733%0.332SS..THydrogen-bonded Turntrans-66.5-17170.1-70.1-176.9-132.900114.2A207 I213 R713A207-E209 PolarHBondContact O-N 2.87Å; A207-E209 VanDerWaalsContact O-N 3.1Å; E209-I213 VanDerWaalsContact O-CD1 3.26Å; E209-I213 WeakPolarHBondContact O-CD1 3.32Å; E209-I213 WeakPolarHBondContact O-CG1 3.28Å; E209-R713 IonicContact OE2-CZ 2.61Å; E209-R713 IonicContact OE2-NH1 3.02Å; E209-R713 IonicContact OE2-NH2 2.78Å; E209-R713 PolarHBondContact OE2-NH2 3.02Å
210A55Low64.5Low12 Ų1258 Ų5810%0.09934%0.339CS..Hα-helixtrans-71.3-34.7-170.300000113.9A207 P208 G212 I213 E214 H709A207-A210 VanDerWaalsContact O-CB 3.23Å; A207-A210 WeakPolarHBondContact O-CB 3.37Å; A207-A210 PolarHBondContact O-N 2.88Å; P208-A210 PolarHBondContact O-N 2.79Å; A210-G212 VanDerWaalsContact C-N 3.28Å; A210-G212 PolarHBondContact O-N 2.82Å; A210-I213 PolarHBondContact O-N 2.85Å; A210-E214 PolarHBondContact O-N 3.33Å; A210-H709 HydrophobicContact CB-CB 4.09Å
211E55.3Low62.8Low168 Ų16863.6 Ų63.679%0.78537%0.369SS*.Hα-helixtrans-61.7-32.4-169.4-62-172.9166.700113.6
212G58Low61.1Low45 Ų4572.7 Ų72.746%0.46440%0.402SS..Hα-helixtrans-75.9-34.617500000113.6A210 A215 E216A210-G212 VanDerWaalsContact C-N 3.28Å; A210-G212 PolarHBondContact O-N 2.82Å; G212-A215 PolarHBondContact O-N 2.92Å; G212-E216 PolarHBondContact O-N 3.43Å; G212-E216 VanDerWaalsContact O-N 3.14Å
213I60.3Low59.7Low9 Ų979.2 Ų79.25%0.04643%0.426CS..Hα-helixtrans-73-35.6-171.2-58.7164.3000111E209 A210 A215 E216 Y217 H709 I712 R713E209-I213 VanDerWaalsContact O-CD1 3.26Å; E209-I213 WeakPolarHBondContact O-CD1 3.32Å; E209-I213 WeakPolarHBondContact O-CG1 3.28Å; A210-I213 PolarHBondContact O-N 2.85Å; I213-A215 VanDerWaalsContact C-N 3.3Å; I213-A215 PolarHBondContact O-N 3.17Å; I213-E216 PolarHBondContact O-N 3.37Å; I213-Y217 WeakPolarHBondContact O-CB 3.45Å; I213-Y217 PolarHBondContact O-N 2.88Å; I213-H709 HydrophobicContact CD1-CB 4.03Å; I213-I712 HydrophobicContact CG2-CB 4.28Å; I213-I712 HydrophobicContact CG2-CG2 3.76Å; I213-R713 HydrophobicContact CG2-CB 4.43Å
214E58.4Low58.8Low78 Ų7881.7 Ų81.736%0.36444%0.438SS..Hα-helixtrans-66-34.1175.7-64.7-172.1-142.100112A210 Y217 A218 R708 I712A210-E214 PolarHBondContact O-N 3.33Å; E214-Y217 PolarHBondContact O-N 3.38Å; E214-A218 WeakPolarHBondContact O-CB 3.38Å; E214-A218 PolarHBondContact O-N 3.43Å; E214-R708 IonicContact OE1-CZ 2.62Å; E214-R708 IonicContact OE1-NH1 2.66Å; E214-R708 PolarHBondContact OE1-NH1 2.91Å; E214-R708 IonicContact OE1-NH2 3.27Å; E214-R708 IonicContact OE2-CZ 2.75Å; E214-R708 IonicContact OE2-NH1 3.91Å; E214-R708 PolarHBondContact OE2-NH1 3.49Å; E214-R708 IonicContact OE2-NH2 3.41Å; E214-R708 PolarHBondContact OE2-NH2 3.22Å; E214-I712 HydrophobicContact CG-CD1 4.48Å
215A58.2Low58.3Low67 Ų6784.3 Ų84.355%0.55445%0.452SS*.Hα-helixtrans-71.2-37.9175.100000112.5G212 I213 A219G212-A215 PolarHBondContact O-N 2.92Å; I213-A215 VanDerWaalsContact C-N 3.3Å; I213-A215 PolarHBondContact O-N 3.17Å; A215-A219 WeakPolarHBondContact O-CB 3.09Å; A215-A219 PolarHBondContact O-N 2.87Å
216E59.5Low58.3Low132 Ų13284.6 Ų84.662%0.61745%0.449SS*.Hα-helixtrans-64.4-43.3171.9-70.3-17815900111.4G212 I213 A219 L220G212-E216 PolarHBondContact O-N 3.43Å; G212-E216 VanDerWaalsContact O-N 3.14Å; I213-E216 PolarHBondContact O-N 3.37Å; E216-A219 WeakPolarHBondContact O-CB 3.12Å; E216-A219 PolarHBondContact O-N 2.78Å; E216-A219 VanDerWaalsContact O-N 3.17Å; E216-L220 WeakPolarHBondContact O-CG 3.36Å; E216-L220 PolarHBondContact O-N 3.03Å; E216-L220 VanDerWaalsContact O-N 3.11Å
217Y58.8Low59Low43 Ų4381.3 Ų81.317%0.16943%0.429CS..Hα-helixtrans-62.2-49.2178.8-168.5-132.5000112.4I213 E214 A219 L220 D221 D649 I712 C716I213-Y217 WeakPolarHBondContact O-CB 3.45Å; I213-Y217 PolarHBondContact O-N 2.88Å; E214-Y217 PolarHBondContact O-N 3.38Å; Y217-A219 PolarHBondContact O-N 2.82Å; Y217-A219 VanDerWaalsContact O-N 3.14Å; Y217-L220 PolarHBondContact O-N 3.39Å; Y217-L220 VanDerWaalsContact O-N 3.09Å; Y217-D221 PolarHBondContact O-N 3.04Å; Y217-D649 WeakPolarHBondContact OH-CB 3.47Å; Y217-I712 HydrophobicContact CD1-CG2 3.87Å; Y217-I712 HydrophobicContact CD2-CG2 3.89Å; Y217-I712 HydrophobicContact CE1-CG2 4.37Å; Y217-I712 HydrophobicContact CE2-CG2 4.38Å; Y217-I712 HydrophobicContact CG-CG2 3.58Å; Y217-C716 VanDerWaalsContact CD2-SG 3.52Å
218A58.1Low60.1Low58 Ų5881.2 Ų81.248%0.47943%0.431SS..Hα-helixtrans-66.4-12.2176.600000114.2E214E214-A218 WeakPolarHBondContact O-CB 3.38Å; E214-A218 PolarHBondContact O-N 3.43Å
219A55.3Low61.5Low56 Ų5675.4 Ų75.446%0.46339%0.393SS..Hα-helixtrans-91.1-27.6172.300000113.2A215 E216 Y217A215-A219 WeakPolarHBondContact O-CB 3.09Å; A215-A219 PolarHBondContact O-N 2.87Å; E216-A219 WeakPolarHBondContact O-CB 3.12Å; E216-A219 PolarHBondContact O-N 2.78Å; E216-A219 VanDerWaalsContact O-N 3.17Å; Y217-A219 PolarHBondContact O-N 2.82Å; Y217-A219 VanDerWaalsContact O-N 3.14Å
220L52.3Low62.9Low33 Ų3375.2 Ų75.217%0.17339%0.388CS..Hα-helixtrans-74.5-36.8178.5-73.1169.7000113E216 Y217 R222 R223 C716E216-L220 WeakPolarHBondContact O-CG 3.36Å; E216-L220 PolarHBondContact O-N 3.03Å; E216-L220 VanDerWaalsContact O-N 3.11Å; Y217-L220 PolarHBondContact O-N 3.39Å; Y217-L220 VanDerWaalsContact O-N 3.09Å; L220-R222 PolarHBondContact O-N 3.13Å; L220-R222 VanDerWaalsContact O-N 3.14Å; L220-R223 PolarHBondContact O-N 3.29Å; L220-C716 HydrophobicContact CD1-CB 3.85Å
221D49.5Very low64.2Low119 Ų11976.4 Ų76.464%0.63639%0.394SS*.G310 helixtrans-58.4-26.3178.2-166.548.9000112.9Y217 R223Y217-D221 PolarHBondContact O-N 3.04Å; D221-R223 PolarHBondContact O-N 2.99Å; D221-R223 VanDerWaalsContact O-N 3.13Å
222R47.7Very low65.6Low219 Ų21974.3 Ų74.383%0.82639%0.385SS*.G310 helixtrans-79.315.1-178.9-57.8-175.4-178.6-144.4-3115.2L220L220-R222 PolarHBondContact O-N 3.13Å; L220-R222 VanDerWaalsContact O-N 3.14Å
223R53.8Low67Low138 Ų13873.4 Ų73.452%0.52137%0.369SS..G310 helixtrans-113.7-2.5-173.7-73.4-173.4169.9-177.7-1.2116L220 D221 L225L220-R223 PolarHBondContact O-N 3.29Å; D221-R223 PolarHBondContact O-N 2.99Å; D221-R223 VanDerWaalsContact O-N 3.13Å; R223-L225 PolarHBondContact O-N 3.37Å
224E63.4Low68.2Low52 Ų5273 Ų7324%0.24337%0.367CS..  trans-73.7129.5176.9-58-158.8139.600110.4Y226 K656 R722E224-Y226 HydrophobicContact CB-CD1 4.41Å; E224-Y226 HydrophobicContact CB-CE1 4.03Å; E224-Y226 PolarHBondContact O-N 2.93Å; E224-Y226 VanDerWaalsContact O-N 3.13Å; E224-Y226 PolarHBondContact OE2-OH 3.01Å; E224-K656 IonicContact OE1-NZ 2.74Å; E224-K656 PolarHBondContact OE1-NZ 2.71Å; E224-K656 IonicContact OE2-NZ 2.67Å; E224-K656 PolarHBondContact OE2-NZ 2.85Å; E224-R722 IonicContact OE1-NH2 2.84Å; E224-R722 PolarHBondContact OE1-NH2 3.44Å
225L68.1Low69.4Low78 Ų7873.8 Ų73.841%0.40837%0.367SS..SBendtrans-80.713.9-169.4-67.7169.2000114R223 N435 L451R223-L225 PolarHBondContact O-N 3.37Å; L225-N435 PolarHBondContact O-N 3.07Å; L225-L451 HydrophobicContact CD1-CD2 3.64Å; L225-L451 HydrophobicContact CD1-CG 4.24Å
226Y74.8Confident70.7Confident37 Ų3777.7 Ų77.715%0.14537%0.367CS..EExtended strand (participates in β ladder)trans-138.7152.3-175.660.8-96.8000110.6E224 V432 R433 A456 V457 D458E224-Y226 HydrophobicContact CB-CD1 4.41Å; E224-Y226 HydrophobicContact CB-CE1 4.03Å; E224-Y226 PolarHBondContact O-N 2.93Å; E224-Y226 VanDerWaalsContact O-N 3.13Å; E224-Y226 PolarHBondContact OE2-OH 3.01Å; Y226-V432 HydrophobicContact CD2-CG1 4.29Å; Y226-V432 HydrophobicContact CG-CG1 4.42Å; Y226-R433 CarbonylContact C-O 3.39Å; Y226-R433 VanDerWaalsContact CA-O 3.28Å; Y226-R433 WeakPolarHBondContact CA-O 3.49Å; Y226-A456 WeakPolarHBondContact CE1-O 3.5Å; Y226-V457 HydrophobicContact CD1-CB 4.19Å; Y226-V457 HydrophobicContact CD1-CG1 3.77Å; Y226-V457 HydrophobicContact CD2-CB 4.08Å; Y226-V457 HydrophobicContact CD2-CG1 4.39Å; Y226-V457 HydrophobicContact CE1-CB 4.49Å; Y226-V457 HydrophobicContact CE1-CG1 4.39Å; Y226-V457 HydrophobicContact CE2-CB 4.4Å; Y226-V457 HydrophobicContact CG-CB 3.97Å; Y226-V457 HydrophobicContact CG-CG1 3.76Å; Y226-D458 HydrophobicContact CE2-CB 4.05Å; Y226-D458 WeakPolarHBondContact CE2-O 3.26Å
227E79.5Confident72Confident96 Ų9673.5 Ų73.545%0.44935%0.349SS..EExtended strand (participates in β ladder)trans-121.3122.9-177.9-172.2179.3-171.700110.8L229 V432 R433E227-L229 HydrophobicContact CG-CD2 3.97Å; E227-L229 PolarHBondContact O-N 3.04Å; E227-V432 WeakPolarHBondContact O-CA 3.34Å; E227-R433 HydrophobicContact CB-CB 4.48Å; E227-R433 PolarHBondContact N-O 2.97Å; E227-R433 PolarHBondContact O-N 3.48Å
228G83.8Confident73.3Confident26 Ų2672 Ų7227%0.26834%0.343SS..EExtended strand (participates in β ladder)trans-83.395.5178.500000112.5
229L84.7Confident74.6Confident3 Ų373 Ų732%0.01634%0.34CS..EExtended strand (participates in β ladder)trans-82.3132.8-173.1-61.2173.4000112.6E227 D233 L234 L237 I420 R430 A431 R433E227-L229 HydrophobicContact CG-CD2 3.97Å; E227-L229 PolarHBondContact O-N 3.04Å; L229-D233 HydrophobicContact CD2-CB 4.06Å; L229-L234 HydrophobicContact CB-CD2 4.06Å; L229-L234 HydrophobicContact CB-CG 4.07Å; L229-L234 HydrophobicContact CD1-CD2 3.78Å; L229-L237 HydrophobicContact CD1-CD1 3.58Å; L229-L237 HydrophobicContact CD2-CD1 4.07Å; L229-L237 HydrophobicContact CG-CD1 4.47Å; L229-I420 HydrophobicContact CD1-CD1 4.22Å; L229-I420 HydrophobicContact CD1-CG2 4.25Å; L229-R430 WeakPolarHBondContact O-CB 3.45Å; L229-A431 PolarHBondContact N-O 3.3Å; L229-A431 PolarHBondContact O-N 3.37Å; L229-R433 HydrophobicContact CD1-CB 3.83Å; L229-R433 HydrophobicContact CG-CB 4.41Å
230R86.1Confident76.2Confident110 Ų11076.2 Ų76.242%0.41535%0.347SS..  trans-86.1163.2171.9-50.9167.1-67-161.4-4.3109.8Q232 D233 L234R230-Q232 PolarHBondContact O-N 3.02Å; R230-D233 WeakPolarHBondContact CB-OD2 3.17Å; R230-D233 WeakPolarHBondContact CG-OD2 3.34Å; R230-D233 IonicContact CZ-OD1 4Å; R230-D233 IonicContact CZ-OD2 3.1Å; R230-D233 PolarHBondContact N-OD2 3.02Å; R230-D233 IonicContact NE-OD1 3.76Å; R230-D233 IonicContact NE-OD2 3.45Å; R230-D233 PolarHBondContact NE-OD2 3.29Å; R230-D233 IonicContact NH2-OD1 3.76Å; R230-D233 PolarHBondContact NH2-OD1 2.83Å; R230-D233 IonicContact NH2-OD2 2.82Å; R230-D233 PolarHBondContact NH2-OD2 3.39Å; R230-D233 PolarHBondContact O-N 3.26Å; R230-L234 PolarHBondContact O-N 3.2Å
231P82.6Confident77.8Confident37 Ų3776.1 Ų76.124%0.2435%0.347CS..Hα-helixtrans-50.7-34.2172.5-29.434.8000114.4R235 E429P231-R235 VanDerWaalsContact O-CG 3.28Å; P231-R235 WeakPolarHBondContact O-CG 3.45Å; P231-R235 PolarHBondContact O-N 3.4Å; P231-E429 WeakPolarHBondContact CD-O 3.4Å; P231-E429 HydrophobicContact CG-CB 3.98Å; P231-E429 WeakPolarHBondContact CG-O 3.37Å
232Q85.1Confident79.5Confident124 Ų12471 Ų7158%0.57932%0.32SS*.Hα-helixtrans-71.3-32.3178.4-65.3177.1-2.800112.9R230 R236R230-Q232 PolarHBondContact O-N 3.02Å; Q232-R236 WeakPolarHBondContact O-CD 3.37Å; Q232-R236 VanDerWaalsContact O-CG 3.29Å; Q232-R236 WeakPolarHBondContact O-CG 3.09Å; Q232-R236 PolarHBondContact O-N 3.28Å; Q232-R236 VanDerWaalsContact O-N 3.15Å
233D86.2Confident81.4Confident26 Ų2664.1 Ų64.114%0.13930%0.301CS..Hα-helixtrans-81.4-35.3178-45.5-56.1000110.3L229 R230 R236 L237L229-D233 HydrophobicContact CD2-CB 4.06Å; R230-D233 WeakPolarHBondContact CB-OD2 3.17Å; R230-D233 WeakPolarHBondContact CG-OD2 3.34Å; R230-D233 IonicContact CZ-OD1 4Å; R230-D233 IonicContact CZ-OD2 3.1Å; R230-D233 PolarHBondContact N-OD2 3.02Å; R230-D233 IonicContact NE-OD1 3.76Å; R230-D233 IonicContact NE-OD2 3.45Å; R230-D233 PolarHBondContact NE-OD2 3.29Å; R230-D233 IonicContact NH2-OD1 3.76Å; R230-D233 PolarHBondContact NH2-OD1 2.83Å; R230-D233 IonicContact NH2-OD2 2.82Å; R230-D233 PolarHBondContact NH2-OD2 3.39Å; R230-D233 PolarHBondContact O-N 3.26Å; D233-R236 PolarHBondContact O-N 3.38Å; D233-R236 IonicContact OD1-NH1 3.83Å; D233-L237 WeakPolarHBondContact O-CG 3.23Å; D233-L237 PolarHBondContact O-N 2.98Å
234L85.8Confident83Confident0 Ų061.6 Ų61.60%030%0.295CS..Hα-helixtrans-60.9-43.6169.2-69.8172.5000112.2L229 R230 L237 K238 I410 V414 I420 W422 A431L229-L234 HydrophobicContact CB-CD2 4.06Å; L229-L234 HydrophobicContact CB-CG 4.07Å; L229-L234 HydrophobicContact CD1-CD2 3.78Å; R230-L234 PolarHBondContact O-N 3.2Å; L234-L237 PolarHBondContact O-N 3.47Å; L234-K238 PolarHBondContact O-N 3Å; L234-I410 HydrophobicContact CB-CG2 3.85Å; L234-I410 HydrophobicContact CD1-CG2 3.94Å; L234-I410 HydrophobicContact CG-CG2 4.49Å; L234-V414 HydrophobicContact CD1-CG2 4.17Å; L234-V414 HydrophobicContact CD2-CG2 3.74Å; L234-I420 HydrophobicContact CD2-CG2 4.1Å; L234-W422 HydrophobicContact CD1-CH2 3.61Å; L234-W422 HydrophobicContact CD1-CZ2 4.46Å; L234-W422 HydrophobicContact CD1-CZ3 3.86Å; L234-A431 HydrophobicContact CD1-CB 3.92Å; L234-A431 HydrophobicContact CD2-CB 4.16Å
235R84.1Confident84.1Confident96 Ų9659.1 Ų59.136%0.36228%0.284SS..Hα-helixtrans-56.6-54.2170.8-74.8172.9-169.2-145.6-2.3110.6P231 L237 K238 D239 I410P231-R235 VanDerWaalsContact O-CG 3.28Å; P231-R235 WeakPolarHBondContact O-CG 3.45Å; P231-R235 PolarHBondContact O-N 3.4Å; R235-L237 VanDerWaalsContact C-N 3.25Å; R235-L237 PolarHBondContact O-N 2.97Å; R235-L237 VanDerWaalsContact O-N 3.16Å; R235-K238 CarbonylContact O-C 3.53Å; R235-K238 WeakPolarHBondContact O-CA 3.45Å; R235-K238 VanDerWaalsContact O-CB 3.32Å; R235-K238 WeakPolarHBondContact O-CB 3.36Å; R235-K238 PolarHBondContact O-N 2.93Å; R235-D239 VanDerWaalsContact C-OD2 3.3Å; R235-D239 WeakPolarHBondContact O-CB 3.29Å; R235-D239 PolarHBondContact O-N 2.76Å; R235-D239 VanDerWaalsContact O-OD2 3.1Å; R235-I410 HydrophobicContact CG-CD1 3.61Å; R235-I410 HydrophobicContact CG-CG1 4.33Å
236R86.4Confident85Confident148 Ų14855.4 Ų55.456%0.55826%0.264SS*.Hα-helixtrans-55.3-36.4177.5-72.4164.5174174.9-5.8114Q232 D233 M240Q232-R236 WeakPolarHBondContact O-CD 3.37Å; Q232-R236 VanDerWaalsContact O-CG 3.29Å; Q232-R236 WeakPolarHBondContact O-CG 3.09Å; Q232-R236 PolarHBondContact O-N 3.28Å; Q232-R236 VanDerWaalsContact O-N 3.15Å; D233-R236 PolarHBondContact O-N 3.38Å; D233-R236 IonicContact OD1-NH1 3.83Å; R236-M240 VanDerWaalsContact O-CB 3.29Å; R236-M240 WeakPolarHBondContact O-CB 3.45Å; R236-M240 WeakPolarHBondContact O-CG 3.29Å; R236-M240 PolarHBondContact O-N 3.14Å
237L85.4Confident85.5Confident44 Ų4455 Ų5523%0.2327%0.265CS..Hα-helixtrans-71-38.7175.1-72.7168.1000112.1L229 D233 L234 R235 L241 F413 I420L229-L237 HydrophobicContact CD1-CD1 3.58Å; L229-L237 HydrophobicContact CD2-CD1 4.07Å; L229-L237 HydrophobicContact CG-CD1 4.47Å; D233-L237 WeakPolarHBondContact O-CG 3.23Å; D233-L237 PolarHBondContact O-N 2.98Å; L234-L237 PolarHBondContact O-N 3.47Å; R235-L237 VanDerWaalsContact C-N 3.25Å; R235-L237 PolarHBondContact O-N 2.97Å; R235-L237 VanDerWaalsContact O-N 3.16Å; L237-L241 WeakPolarHBondContact O-CB 3.34Å; L237-L241 PolarHBondContact O-N 3.18Å; L237-F413 HydrophobicContact CB-CE1 4.32Å; L237-F413 HydrophobicContact CB-CZ 4.13Å; L237-I420 HydrophobicContact CD1-CD1 4.37Å
238K86.5Confident85.8Confident12 Ų1254.2 Ų54.25%0.05226%0.262CS..Hα-helixtrans-62.3-49.8170.5-165.1-162.773.1149.70110.6L234 R235 M240 L241 I242 E257 W265 D409 F413L234-K238 PolarHBondContact O-N 3Å; R235-K238 CarbonylContact O-C 3.53Å; R235-K238 WeakPolarHBondContact O-CA 3.45Å; R235-K238 VanDerWaalsContact O-CB 3.32Å; R235-K238 WeakPolarHBondContact O-CB 3.36Å; R235-K238 PolarHBondContact O-N 2.93Å; K238-M240 VanDerWaalsContact C-N 3.33Å; K238-M240 PolarHBondContact O-N 3.2Å; K238-L241 PolarHBondContact O-N 3.39Å; K238-L241 VanDerWaalsContact O-N 3.11Å; K238-I242 HydrophobicContact CD-CD1 4.32Å; K238-I242 HydrophobicContact CG-CD1 4.03Å; K238-I242 VanDerWaalsContact O-CG1 3.25Å; K238-I242 WeakPolarHBondContact O-CG1 3.46Å; K238-I242 PolarHBondContact O-N 3.2Å; K238-E257 IonicContact NZ-OE1 3.6Å; K238-E257 PolarHBondContact NZ-OE1 3.29Å; K238-W265 HydrophobicContact CD-CH2 3.54Å; K238-W265 HydrophobicContact CD-CZ2 4.06Å; K238-W265 HydrophobicContact CD-CZ3 4.01Å; K238-W265 HydrophobicContact CG-CE3 4.28Å; K238-W265 HydrophobicContact CG-CH2 3.69Å; K238-W265 HydrophobicContact CG-CZ2 4.44Å; K238-W265 HydrophobicContact CG-CZ3 3.58Å; K238-D409 WeakPolarHBondContact CD-OD2 3.36Å; K238-D409 IonicContact NZ-OD2 3.74Å; K238-D409 PolarHBondContact NZ-OD2 2.89Å; K238-F413 HydrophobicContact CB-CD1 4.24Å; K238-F413 HydrophobicContact CB-CD2 4.34Å; K238-F413 HydrophobicContact CB-CE1 4.23Å; K238-F413 HydrophobicContact CB-CE2 4.32Å; K238-F413 HydrophobicContact CB-CG 4.3Å; K238-F413 HydrophobicContact CB-CZ 4.27Å; K238-F413 HydrophobicContact CG-CD2 4.08Å; K238-F413 HydrophobicContact CG-CE2 4.44Å; K238-F413 HydrophobicContact CG-CG 4.14Å
239D86.4Confident85.7Confident78 Ų7853.6 Ų53.642%0.41725%0.252SS..Hα-helixtrans-61.2-40.5179.9-52.1-25.5000111R235 V243R235-D239 VanDerWaalsContact C-OD2 3.3Å; R235-D239 WeakPolarHBondContact O-CB 3.29Å; R235-D239 PolarHBondContact O-N 2.76Å; R235-D239 VanDerWaalsContact O-OD2 3.1Å; D239-V243 WeakPolarHBondContact O-CB 3.42Å; D239-V243 VanDerWaalsContact O-CG2 3.29Å; D239-V243 WeakPolarHBondContact O-CG2 3.24Å; D239-V243 PolarHBondContact O-N 2.84Å
240M87.3Confident85.6Confident125 Ų12558.7 Ų58.762%0.61628%0.276SS*.Hα-helixtrans-67.4-41.6171.7-82.4-174.8146.800112.7R236 K238 I242 V243 E244R236-M240 VanDerWaalsContact O-CB 3.29Å; R236-M240 WeakPolarHBondContact O-CB 3.45Å; R236-M240 WeakPolarHBondContact O-CG 3.29Å; R236-M240 PolarHBondContact O-N 3.14Å; K238-M240 VanDerWaalsContact C-N 3.33Å; K238-M240 PolarHBondContact O-N 3.2Å; M240-I242 VanDerWaalsContact C-N 3.31Å; M240-I242 PolarHBondContact O-N 3.43Å; M240-V243 PolarHBondContact O-N 3.41Å; M240-E244 WeakPolarHBondContact O-CB 3.14Å; M240-E244 WeakPolarHBondContact O-CG 3.46Å; M240-E244 PolarHBondContact O-N 3.4Å
241L86.2Confident85.3Confident31 Ų3154.1 Ų54.116%0.16226%0.262CS..Hα-helixtrans-62.7-40.5175.3-179.765.5000111.1L237 K238 T245 L260 W265 R267 F413L237-L241 WeakPolarHBondContact O-CB 3.34Å; L237-L241 PolarHBondContact O-N 3.18Å; K238-L241 PolarHBondContact O-N 3.39Å; K238-L241 VanDerWaalsContact O-N 3.11Å; L241-T245 WeakPolarHBondContact O-CB 3.21Å; L241-T245 PolarHBondContact O-N 3.29Å; L241-T245 PolarHBondContact O-OG1 3.06Å; L241-L260 HydrophobicContact CD2-CD1 4.44Å; L241-L260 HydrophobicContact CD2-CD2 4.34Å; L241-L260 HydrophobicContact CG-CD1 4.19Å; L241-W265 HydrophobicContact CD2-CE3 4.37Å; L241-R267 HydrophobicContact CD1-CB 4.31Å; L241-F413 HydrophobicContact CB-CE2 4.5Å; L241-F413 HydrophobicContact CD2-CD2 4.31Å; L241-F413 HydrophobicContact CD2-CE2 3.73Å
242I86.1Confident85.2Confident12 Ų1256.6 Ų56.66%0.06228%0.278CS..Hα-helixtrans-60.1-60.5172.7-66.6159.7000108.2K238 M240 E244 T245 A246 E257 L260 W265K238-I242 HydrophobicContact CD-CD1 4.32Å; K238-I242 HydrophobicContact CG-CD1 4.03Å; K238-I242 VanDerWaalsContact O-CG1 3.25Å; K238-I242 WeakPolarHBondContact O-CG1 3.46Å; K238-I242 PolarHBondContact O-N 3.2Å; M240-I242 VanDerWaalsContact C-N 3.31Å; M240-I242 PolarHBondContact O-N 3.43Å; I242-E244 VanDerWaalsContact C-N 3.29Å; I242-E244 PolarHBondContact O-N 3.33Å; I242-T245 PolarHBondContact O-N 3.01Å; I242-A246 WeakPolarHBondContact O-CA 3.39Å; I242-A246 WeakPolarHBondContact O-CB 3.17Å; I242-A246 PolarHBondContact O-N 3.34Å; I242-E257 HydrophobicContact CD1-CB 4.15Å; I242-E257 HydrophobicContact CD1-CG 3.61Å; I242-E257 WeakPolarHBondContact CD1-OE1 3.41Å; I242-E257 HydrophobicContact CG1-CB 4.2Å; I242-E257 HydrophobicContact CG1-CG 4.02Å; I242-E257 HydrophobicContact CG2-CB 4.33Å; I242-L260 HydrophobicContact CG1-CD1 4.11Å; I242-W265 HydrophobicContact CD1-CH2 4.3Å; I242-W265 HydrophobicContact CD1-CZ3 4.16Å; I242-W265 HydrophobicContact CG1-CZ3 3.97Å
243V87.8Confident85Confident73 Ų7355 Ų5544%0.44227%0.273SS..Hα-helixtrans-52.2-44.9-179.9169.80000111.9D239 M240 D247D239-V243 WeakPolarHBondContact O-CB 3.42Å; D239-V243 VanDerWaalsContact O-CG2 3.29Å; D239-V243 WeakPolarHBondContact O-CG2 3.24Å; D239-V243 PolarHBondContact O-N 2.84Å; M240-V243 PolarHBondContact O-N 3.41Å; V243-D247 WeakPolarHBondContact O-CB 3.29Å; V243-D247 PolarHBondContact O-N 2.73Å
244E87.6Confident84.4Confident85 Ų8557 Ų5740%0.39728%0.28SS..Hα-helixtrans-69.1-43.5178.7-77.4-171.2-176.600115M240 I242 D247 M248 R267M240-E244 WeakPolarHBondContact O-CB 3.14Å; M240-E244 WeakPolarHBondContact O-CG 3.46Å; M240-E244 PolarHBondContact O-N 3.4Å; I242-E244 VanDerWaalsContact C-N 3.29Å; I242-E244 PolarHBondContact O-N 3.33Å; E244-D247 WeakPolarHBondContact O-CB 3.22Å; E244-M248 WeakPolarHBondContact O-CG 3.45Å; E244-M248 PolarHBondContact O-N 3.02Å; E244-R267 IonicContact OE2-CZ 2.76Å; E244-R267 IonicContact OE2-NH1 2.74Å; E244-R267 PolarHBondContact OE2-NH1 3.47Å
245T86.4Confident84Confident0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-73.1-48.7-177.6-56.30000109.6L241 I242 D247 M248 L249 L260 R267 L270L241-T245 WeakPolarHBondContact O-CB 3.21Å; L241-T245 PolarHBondContact O-N 3.29Å; L241-T245 PolarHBondContact O-OG1 3.06Å; I242-T245 PolarHBondContact O-N 3.01Å; T245-D247 VanDerWaalsContact C-N 3.26Å; T245-D247 PolarHBondContact O-N 3Å; T245-M248 PolarHBondContact O-N 3.43Å; T245-L249 WeakPolarHBondContact O-CG 3.28Å; T245-L249 PolarHBondContact O-N 2.9Å; T245-L260 HydrophobicContact CG2-CD1 4.24Å; T245-L260 HydrophobicContact CG2-CD2 4.08Å; T245-L260 HydrophobicContact CG2-CG 4.14Å; T245-R267 HydrophobicContact CG2-CG 3.96Å; T245-R267 WeakPolarHBondContact OG1-CD 3.44Å; T245-R267 WeakPolarHBondContact OG1-CG 3.36Å; T245-L270 HydrophobicContact CG2-CD2 3.78Å
246A86.2Confident83.9Confident0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-53.1-51.2175.500000109.6I242 M248 L249 A256 G1077 C1078I242-A246 WeakPolarHBondContact O-CA 3.39Å; I242-A246 WeakPolarHBondContact O-CB 3.17Å; I242-A246 PolarHBondContact O-N 3.34Å; A246-M248 VanDerWaalsContact C-N 3.27Å; A246-M248 PolarHBondContact O-N 3.22Å; A246-L249 WeakPolarHBondContact O-CB 3.39Å; A246-L249 PolarHBondContact O-N 3.41Å; A246-A256 HydrophobicContact CB-CB 3.08Å; A246-G1077 CarbonylContact C-O 3.6Å; A246-G1077 VanDerWaalsContact C-O 3.29Å; A246-G1077 CarbonylContact O-C 3.53Å; A246-C1078 HydrophobicContact CB-CB 3.25Å; A246-C1078 WeakPolarHBondContact CB-SG 3.46Å
247D85.9Confident83.6Confident29 Ų2946.5 Ų46.516%0.15524%0.242CC..Hα-helixtrans-42.9-52.7172.1-100.1-28.8000112.2V243 E244 T245 L249 Q250 K1076 G1077 C1078V243-D247 WeakPolarHBondContact O-CB 3.29Å; V243-D247 PolarHBondContact O-N 2.73Å; E244-D247 WeakPolarHBondContact O-CB 3.22Å; T245-D247 VanDerWaalsContact C-N 3.26Å; T245-D247 PolarHBondContact O-N 3Å; D247-L249 PolarHBondContact O-N 3.11Å; D247-Q250 PolarHBondContact O-N 3.24Å; D247-K1076 HydrophobicContact CB-CB 3.72Å; D247-K1076 HydrophobicContact CB-CD 3.78Å; D247-K1076 VanDerWaalsContact CB-CE 3.46Å; D247-K1076 HydrophobicContact CB-CG 3.68Å; D247-K1076 CarbonylContact O-C 3.59Å; D247-K1076 VanDerWaalsContact O-C 3.31Å; D247-K1076 WeakPolarHBondContact O-CA 3.29Å; D247-K1076 PolarHBondContact O-N 2.89Å; D247-K1076 VanDerWaalsContact O-N 3.11Å; D247-K1076 WeakPolarHBondContact OD1-CB 3.22Å; D247-K1076 VanDerWaalsContact OD2-CD 3.3Å; D247-K1076 WeakPolarHBondContact OD2-CD 3.23Å; D247-K1076 VanDerWaalsContact OD2-CE 3.22Å; D247-K1076 WeakPolarHBondContact OD2-CE 3.13Å; D247-K1076 IonicContact OD2-NZ 3.34Å; D247-K1076 PolarHBondContact OD2-NZ 3.26Å; D247-G1077 CarbonylContact C-O 3.56Å; D247-G1077 VanDerWaalsContact CA-N 3.26Å; D247-G1077 VanDerWaalsContact CA-O 3.29Å; D247-G1077 WeakPolarHBondContact CA-O 3.39Å; D247-G1077 PolarHBondContact O-N 2.88Å; D247-G1077 VanDerWaalsContact O-O 3.08Å; D247-G1077 WeakPolarHBondContact OD1-CA 3.38Å; D247-G1077 PolarHBondContact OD1-N 2.92Å; D247-G1077 VanDerWaalsContact OD1-N 3.12Å; D247-C1078 PolarHBondContact N-SG 2.67Å; D247-C1078 VanDerWaalsContact N-SG 3.44Å
248M84.9Confident83.1Confident79 Ų7944.5 Ų44.539%0.38923%0.232SC..Hα-helixtrans-64.5-13-176.4-68.1-176.6-66.500114.5E244 T245 A246 R267 L271E244-M248 WeakPolarHBondContact O-CG 3.45Å; E244-M248 PolarHBondContact O-N 3.02Å; T245-M248 PolarHBondContact O-N 3.43Å; A246-M248 VanDerWaalsContact C-N 3.27Å; A246-M248 PolarHBondContact O-N 3.22Å; M248-R267 HydrophobicContact CE-CG 4.11Å; M248-L271 HydrophobicContact CB-CD2 4.12Å; M248-L271 HydrophobicContact CE-CD1 3.9Å; M248-L271 HydrophobicContact SD-CD1 4.34Å
249L82.6Confident82.7Confident13 Ų1344 Ų447%0.06823%0.23CC..THydrogen-bonded Turntrans-98.5-12.4-178.7-53.7177.5000114.6T245 A246 D247 A256 L259 L270 L271 W274T245-L249 WeakPolarHBondContact O-CG 3.28Å; T245-L249 PolarHBondContact O-N 2.9Å; A246-L249 WeakPolarHBondContact O-CB 3.39Å; A246-L249 PolarHBondContact O-N 3.41Å; D247-L249 PolarHBondContact O-N 3.11Å; L249-A256 HydrophobicContact CD1-CB 4.33Å; L249-L259 HydrophobicContact CD1-CD1 3.73Å; L249-L270 HydrophobicContact CD1-CD2 4.31Å; L249-L271 HydrophobicContact CD2-CD2 4Å; L249-W274 HydrophobicContact CB-CZ2 4.12Å; L249-W274 HydrophobicContact CD2-CB 4.08Å; L249-W274 HydrophobicContact CD2-CD2 3.72Å; L249-W274 HydrophobicContact CD2-CE3 4.36Å; L249-W274 HydrophobicContact CD2-CG 3.57Å
250Q82.1Confident82.4Confident110 Ų11040.2 Ų40.251%0.51421%0.21SC..  trans62.570.7177.5-68.8-161.717.200118.6D247 S1075 G1077D247-Q250 PolarHBondContact O-N 3.24Å; Q250-S1075 PolarHBondContact NE2-O 2.77Å; Q250-G1077 CarbonylContact C-O 3.43Å; Q250-G1077 WeakPolarHBondContact CA-O 3.33Å; Q250-G1077 PolarHBondContact N-O 3.25Å
251A79.9Confident82Confident14 Ų1435.6 Ų35.612%0.11619%0.186CC..SBendtrans-138.9-138.9155.300000114.1P290 G1077 C1078 H1079A251-P290 HydrophobicContact CB-CB 3.14Å; A251-P290 HydrophobicContact CB-CG 3.87Å; A251-G1077 PolarHBondContact N-O 3.45Å; A251-G1077 CarbonylContact O-C 3.34Å; A251-G1077 WeakPolarHBondContact O-CA 3.44Å; A251-C1078 CarbonylContact C-O 3.56Å; A251-C1078 VanDerWaalsContact CA-C 3.47Å; A251-C1078 WeakPolarHBondContact CA-O 3.32Å; A251-C1078 WeakPolarHBondContact CB-O 3.37Å; A251-C1078 PolarHBondContact N-O 3.07Å; A251-C1078 PolarHBondContact O-N 3.13Å; A251-H1079 VanDerWaalsContact CB-C 3.47Å; A251-H1079 WeakPolarHBondContact CB-O 3Å
252P80.9Confident81.4Confident89 Ų8936.1 Ų36.158%0.57819%0.194SC*.SBendtrans-110.6-28173.3-2.618.6000125C1078 H1079P252-C1078 VanDerWaalsContact N-C 3.27Å; P252-C1078 WeakPolarHBondContact O-CB 3.24Å; P252-H1079 VanDerWaalsContact CB-ND1 3.31Å; P252-H1079 WeakPolarHBondContact CB-ND1 3.27Å; P252-H1079 VanDerWaalsContact CD-ND1 3.31Å; P252-H1079 WeakPolarHBondContact CD-ND1 3.27Å; P252-H1079 WeakPolarHBondContact CG-ND1 3.22Å
253L79.4Confident81Confident90 Ų9037.5 Ų37.547%0.47120%0.2SC..SBendtrans-151.4-91.8168.6-123.2175.3000118.3C1078 H1079L253-C1078 VanDerWaalsContact N-CB 3.31Å; L253-C1078 CarbonylContact O-C 3.58Å; L253-C1078 VanDerWaalsContact O-CB 3.26Å; L253-C1078 WeakPolarHBondContact O-CB 3.42Å; L253-H1079 VanDerWaalsContact C-CG 3.48Å; L253-H1079 VanDerWaalsContact CA-N 3.29Å; L253-H1079 VanDerWaalsContact CB-CD2 3.46Å; L253-H1079 WeakPolarHBondContact CB-CD2 3.17Å; L253-H1079 VanDerWaalsContact N-CA 3.29Å; L253-H1079 PolarHBondContact N-ND1 3.11Å; L253-H1079 PolarHBondContact O-N 2.91Å
254F75.1Confident80.5Confident68 Ų6838.7 Ų38.730%0.29820%0.204SC..THydrogen-bonded Turntrans-84.6-15.2-155.991.779.3000125.1A256 E257 A258 P389 H1079 D1081F254-A256 PolarHBondContact O-N 3.44Å; F254-E257 WeakPolarHBondContact O-CB 3.34Å; F254-E257 PolarHBondContact O-N 2.93Å; F254-A258 PolarHBondContact O-N 3.44Å; F254-P389 HydrophobicContact CZ-CB 4.19Å; F254-P389 HydrophobicContact CZ-CG 3.76Å; F254-H1079 AromaticContact CD2-CD2 3.71Å; F254-H1079 PolarHBondContact N-CD2 3.19Å; F254-D1081 WeakPolarHBondContact CB-OD1 3.12Å; F254-D1081 HydrophobicContact CD1-CB 3.35Å; F254-D1081 WeakPolarHBondContact CD1-OD1 3.45Å; F254-D1081 WeakPolarHBondContact CD1-OD2 3.46Å; F254-D1081 HydrophobicContact CD2-CB 3.81Å; F254-D1081 WeakPolarHBondContact CD2-OD1 3.42Å; F254-D1081 WeakPolarHBondContact CD2-OD2 3.35Å; F254-D1081 HydrophobicContact CE1-CB 2.66Å; F254-D1081 WeakPolarHBondContact CE1-OD1 3.38Å; F254-D1081 WeakPolarHBondContact CE1-OD2 3.49Å; F254-D1081 HydrophobicContact CE2-CB 3.18Å; F254-D1081 WeakPolarHBondContact CE2-OD1 3.12Å; F254-D1081 WeakPolarHBondContact CE2-OD2 3.35Å; F254-D1081 HydrophobicContact CG-CB 3.9Å; F254-D1081 WeakPolarHBondContact CG-OD1 3.43Å; F254-D1081 WeakPolarHBondContact CG-OD2 3.49Å; F254-D1081 HydrophobicContact CZ-CB 2.59Å; F254-D1081 WeakPolarHBondContact CZ-OD1 3.37Å
255T76.8Confident80.1Confident2 Ų235.6 Ų35.61%0.01219%0.189CC..Hα-helixtrans-46.7-40.2174.8-86.30000112E257 A258 L259 V287 H1079 V1080 D1081T255-E257 VanDerWaalsContact C-N 3.26Å; T255-E257 PolarHBondContact O-N 2.78Å; T255-A258 CarbonylContact O-C 3.42Å; T255-A258 WeakPolarHBondContact O-CA 3.36Å; T255-A258 WeakPolarHBondContact O-CB 3.39Å; T255-A258 PolarHBondContact O-N 2.93Å; T255-L259 HydrophobicContact CG2-CD1 3.32Å; T255-L259 HydrophobicContact CG2-CG 3.59Å; T255-L259 WeakPolarHBondContact O-CB 3.43Å; T255-L259 WeakPolarHBondContact O-CG 3.26Å; T255-L259 PolarHBondContact O-N 3.03Å; T255-V287 HydrophobicContact CG2-CG1 3.68Å; T255-V287 WeakPolarHBondContact OG1-CG1 3.43Å; T255-H1079 WeakPolarHBondContact CB-O 3.4Å; T255-H1079 VanDerWaalsContact OG1-C 3.3Å; T255-H1079 PolarHBondContact OG1-O 3.07Å; T255-V1080 VanDerWaalsContact CB-N 3.28Å; T255-V1080 WeakPolarHBondContact OG1-CA 2.91Å; T255-V1080 PolarHBondContact OG1-N 2.86Å; T255-V1080 PolarHBondContact OG1-O 2.63Å; T255-D1081 PolarHBondContact OG1-N 3.2Å
256A81.6Confident79.9Confident1 Ų138 Ų381%0.00820%0.201CC..Hα-helixtrans-64.8-27.2-178.600000113.9A246 L249 F254 L260A246-A256 HydrophobicContact CB-CB 3.08Å; L249-A256 HydrophobicContact CD1-CB 4.33Å; F254-A256 PolarHBondContact O-N 3.44Å; A256-L260 WeakPolarHBondContact O-CB 3.16Å; A256-L260 WeakPolarHBondContact O-CD1 3.29Å; A256-L260 WeakPolarHBondContact O-CG 3.49Å; A256-L260 PolarHBondContact O-N 2.94Å
257E80.8Confident79.8Confident22 Ų2241.7 Ų41.710%0.10322%0.216CC..Hα-helixtrans-70.4-41.6170-163.9-172.4-143.400110.5K238 I242 F254 T255 L260 R261 W265 V390K238-E257 IonicContact NZ-OE1 3.6Å; K238-E257 PolarHBondContact NZ-OE1 3.29Å; I242-E257 HydrophobicContact CD1-CB 4.15Å; I242-E257 HydrophobicContact CD1-CG 3.61Å; I242-E257 WeakPolarHBondContact CD1-OE1 3.41Å; I242-E257 HydrophobicContact CG1-CB 4.2Å; I242-E257 HydrophobicContact CG1-CG 4.02Å; I242-E257 HydrophobicContact CG2-CB 4.33Å; F254-E257 WeakPolarHBondContact O-CB 3.34Å; F254-E257 PolarHBondContact O-N 2.93Å; T255-E257 VanDerWaalsContact C-N 3.26Å; T255-E257 PolarHBondContact O-N 2.78Å; E257-L260 PolarHBondContact O-N 2.84Å; E257-R261 VanDerWaalsContact CD-CZ 3.4Å; E257-R261 WeakPolarHBondContact O-CG 3.32Å; E257-R261 PolarHBondContact O-N 3.14Å; E257-R261 IonicContact OE1-CZ 2.88Å; E257-R261 IonicContact OE1-NH1 2.92Å; E257-R261 IonicContact OE1-NH2 3.3Å; E257-R261 PolarHBondContact OE1-NH2 3.12Å; E257-R261 IonicContact OE2-CZ 3.35Å; E257-R261 VanDerWaalsContact OE2-CZ 3.3Å; E257-R261 IonicContact OE2-NH1 3.08Å; E257-R261 PolarHBondContact OE2-NH1 2.88Å; E257-R261 IonicContact OE2-NH2 2.67Å; E257-R261 PolarHBondContact OE2-NH2 3.28Å; E257-R261 VanDerWaalsContact OE2-NH2 3.08Å; E257-W265 HydrophobicContact CG-CH2 3.68Å; E257-W265 HydrophobicContact CG-CZ3 4.26Å; E257-V390 WeakPolarHBondContact OE2-CG2 3.2Å
258A74.7Confident79.8Confident2 Ų247.2 Ų47.22%0.01724%0.24CC..Hα-helixtrans-65.9-42.1175.300000112.6F254 T255 R261 A262 V287 L387F254-A258 PolarHBondContact O-N 3.44Å; T255-A258 CarbonylContact O-C 3.42Å; T255-A258 WeakPolarHBondContact O-CA 3.36Å; T255-A258 WeakPolarHBondContact O-CB 3.39Å; T255-A258 PolarHBondContact O-N 2.93Å; A258-R261 PolarHBondContact O-N 3.21Å; A258-A262 WeakPolarHBondContact O-CB 3.47Å; A258-A262 PolarHBondContact O-N 3.33Å; A258-V287 HydrophobicContact CB-CG2 3.78Å; A258-L387 HydrophobicContact CB-CD1 3.85Å
259L78.8Confident79.7Confident0 Ų048.5 Ų48.50%024%0.244CC..Hα-helixtrans-64.7-42.5172.7-71.4180000111.5L249 T255 A262 H263 L270 W274 S285L249-L259 HydrophobicContact CD1-CD1 3.73Å; T255-L259 HydrophobicContact CG2-CD1 3.32Å; T255-L259 HydrophobicContact CG2-CG 3.59Å; T255-L259 WeakPolarHBondContact O-CB 3.43Å; T255-L259 WeakPolarHBondContact O-CG 3.26Å; T255-L259 PolarHBondContact O-N 3.03Å; L259-A262 PolarHBondContact O-N 3.36Å; L259-H263 WeakPolarHBondContact O-CB 3.44Å; L259-H263 PolarHBondContact O-CD2 2.85Å; L259-H263 PolarHBondContact O-N 3.14Å; L259-L270 HydrophobicContact CB-CD1 3.71Å; L259-L270 HydrophobicContact CB-CD2 3.73Å; L259-L270 HydrophobicContact CB-CG 4.4Å; L259-L270 HydrophobicContact CD1-CD1 4.07Å; L259-L270 HydrophobicContact CD2-CD1 4.41Å; L259-L270 HydrophobicContact CG-CD1 4.28Å; L259-W274 HydrophobicContact CD1-CE3 4.05Å; L259-W274 HydrophobicContact CD1-CZ3 3.84Å; L259-S285 VanDerWaalsContact CD2-OG 3.26Å; L259-S285 WeakPolarHBondContact CD2-OG 3.36Å
260L80.4Confident79.9Confident0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-60.9-47.3173.5-80.7167000110.2L241 I242 T245 A256 E257 A262 H263 D264 W265 L270L241-L260 HydrophobicContact CD2-CD1 4.44Å; L241-L260 HydrophobicContact CD2-CD2 4.34Å; L241-L260 HydrophobicContact CG-CD1 4.19Å; I242-L260 HydrophobicContact CG1-CD1 4.11Å; T245-L260 HydrophobicContact CG2-CD1 4.24Å; T245-L260 HydrophobicContact CG2-CD2 4.08Å; T245-L260 HydrophobicContact CG2-CG 4.14Å; A256-L260 WeakPolarHBondContact O-CB 3.16Å; A256-L260 WeakPolarHBondContact O-CD1 3.29Å; A256-L260 WeakPolarHBondContact O-CG 3.49Å; A256-L260 PolarHBondContact O-N 2.94Å; E257-L260 PolarHBondContact O-N 2.84Å; L260-A262 VanDerWaalsContact C-N 3.33Å; L260-A262 PolarHBondContact O-N 3.48Å; L260-H263 CarbonylContact O-C 3.54Å; L260-H263 PolarHBondContact O-N 3.4Å; L260-H263 VanDerWaalsContact O-N 3.17Å; L260-D264 PolarHBondContact O-N 3.49Å; L260-W265 HydrophobicContact CB-CD2 4.25Å; L260-W265 HydrophobicContact CB-CE3 3.67Å; L260-W265 HydrophobicContact CB-CZ3 3.95Å; L260-W265 HydrophobicContact CD1-CE3 4.06Å; L260-W265 HydrophobicContact CD1-CZ3 4.05Å; L260-W265 HydrophobicContact CG-CE3 4.33Å; L260-W265 WeakPolarHBondContact O-CA 3.48Å; L260-W265 PolarHBondContact O-N 2.66Å; L260-L270 HydrophobicContact CD2-CD2 4.09Å; L260-L270 HydrophobicContact CG-CD2 4.04Å
261R77.4Confident80Confident28 Ų2844.5 Ų44.511%0.10623%0.226CC..Hα-helixtrans-57.7-43.1174.3-74.8-174.1-175.7103.79.2112.5E257 A258 H263 D264 W265 D409E257-R261 VanDerWaalsContact CD-CZ 3.4Å; E257-R261 WeakPolarHBondContact O-CG 3.32Å; E257-R261 PolarHBondContact O-N 3.14Å; E257-R261 IonicContact OE1-CZ 2.88Å; E257-R261 IonicContact OE1-NH1 2.92Å; E257-R261 IonicContact OE1-NH2 3.3Å; E257-R261 PolarHBondContact OE1-NH2 3.12Å; E257-R261 IonicContact OE2-CZ 3.35Å; E257-R261 VanDerWaalsContact OE2-CZ 3.3Å; E257-R261 IonicContact OE2-NH1 3.08Å; E257-R261 PolarHBondContact OE2-NH1 2.88Å; E257-R261 IonicContact OE2-NH2 2.67Å; E257-R261 PolarHBondContact OE2-NH2 3.28Å; E257-R261 VanDerWaalsContact OE2-NH2 3.08Å; A258-R261 PolarHBondContact O-N 3.21Å; R261-H263 VanDerWaalsContact C-N 3.3Å; R261-H263 PolarHBondContact O-N 3.41Å; R261-D264 PolarHBondContact O-N 3.16Å; R261-W265 HydrophobicContact CG-CH2 4.3Å; R261-W265 HydrophobicContact CG-CZ2 3.62Å; R261-D409 IonicContact CZ-OD1 2.69Å; R261-D409 VanDerWaalsContact CZ-OD1 3.29Å; R261-D409 IonicContact NE-OD1 3.53Å; R261-D409 PolarHBondContact NE-OD1 3.45Å; R261-D409 IonicContact NH2-OD1 3.29Å; R261-D409 PolarHBondContact NH2-OD1 2.87Å; R261-D409 IonicContact NH2-OD2 3.67Å
262A73.8Confident80.3Confident41 Ų4150 Ų5034%0.33925%0.249SC..Hα-helixtrans-70.2-22.4178.700000114A258 L259 L260 S285A258-A262 WeakPolarHBondContact O-CB 3.47Å; A258-A262 PolarHBondContact O-N 3.33Å; L259-A262 PolarHBondContact O-N 3.36Å; L260-A262 VanDerWaalsContact C-N 3.33Å; L260-A262 PolarHBondContact O-N 3.48Å; A262-S285 WeakPolarHBondContact CB-OG 3.24Å
263H77.8Confident80.4Confident41 Ų4147.1 Ų47.119%0.1923%0.233CC..THydrogen-bonded Turntrans-110.532.6177.2-73.2-95.5000112.6L259 L260 R261 W265 D266 L270 A273L259-H263 WeakPolarHBondContact O-CB 3.44Å; L259-H263 PolarHBondContact O-CD2 2.85Å; L259-H263 PolarHBondContact O-N 3.14Å; L260-H263 CarbonylContact O-C 3.54Å; L260-H263 PolarHBondContact O-N 3.4Å; L260-H263 VanDerWaalsContact O-N 3.17Å; R261-H263 VanDerWaalsContact C-N 3.3Å; R261-H263 PolarHBondContact O-N 3.41Å; H263-W265 VanDerWaalsContact C-N 3.26Å; H263-W265 PolarHBondContact O-N 3.38Å; H263-D266 WeakPolarHBondContact O-CB 3.17Å; H263-D266 PolarHBondContact O-N 3.4Å; H263-L270 HydrophobicContact CB-CB 4.06Å; H263-A273 VanDerWaalsContact CE1-CB 3.44Å; H263-A273 WeakPolarHBondContact CE1-CB 3.47Å
264D77.3Confident80.5Confident99 Ų9945 Ų4553%0.52922%0.219SC..THydrogen-bonded Turntrans57.530.2173.7-72.4-47000115.1L260 R261 D266 N416L260-D264 PolarHBondContact O-N 3.49Å; R261-D264 PolarHBondContact O-N 3.16Å; D264-D266 PolarHBondContact O-N 2.91Å; D264-D266 VanDerWaalsContact O-N 3.14Å; D264-N416 VanDerWaalsContact C-ND2 3.29Å; D264-N416 WeakPolarHBondContact CA-ND2 3.4Å; D264-N416 WeakPolarHBondContact CB-ND2 3.28Å; D264-N416 WeakPolarHBondContact O-CB 3.39Å; D264-N416 PolarHBondContact O-ND2 3Å
265W80.2Confident81Confident20 Ų2049 Ų498%0.07624%0.24CC..THydrogen-bonded Turntrans58.811.6-170.5-61.392.7000114.6K238 L241 I242 E257 L260 R261 H263 R267 F413K238-W265 HydrophobicContact CD-CH2 3.54Å; K238-W265 HydrophobicContact CD-CZ2 4.06Å; K238-W265 HydrophobicContact CD-CZ3 4.01Å; K238-W265 HydrophobicContact CG-CE3 4.28Å; K238-W265 HydrophobicContact CG-CH2 3.69Å; K238-W265 HydrophobicContact CG-CZ2 4.44Å; K238-W265 HydrophobicContact CG-CZ3 3.58Å; L241-W265 HydrophobicContact CD2-CE3 4.37Å; I242-W265 HydrophobicContact CD1-CH2 4.3Å; I242-W265 HydrophobicContact CD1-CZ3 4.16Å; I242-W265 HydrophobicContact CG1-CZ3 3.97Å; E257-W265 HydrophobicContact CG-CH2 3.68Å; E257-W265 HydrophobicContact CG-CZ3 4.26Å; L260-W265 HydrophobicContact CB-CD2 4.25Å; L260-W265 HydrophobicContact CB-CE3 3.67Å; L260-W265 HydrophobicContact CB-CZ3 3.95Å; L260-W265 HydrophobicContact CD1-CE3 4.06Å; L260-W265 HydrophobicContact CD1-CZ3 4.05Å; L260-W265 HydrophobicContact CG-CE3 4.33Å; L260-W265 WeakPolarHBondContact O-CA 3.48Å; L260-W265 PolarHBondContact O-N 2.66Å; R261-W265 HydrophobicContact CG-CH2 4.3Å; R261-W265 HydrophobicContact CG-CZ2 3.62Å; H263-W265 VanDerWaalsContact C-N 3.26Å; H263-W265 PolarHBondContact O-N 3.38Å; W265-R267 PolarHBondContact O-N 3.09Å; W265-F413 HydrophobicContact CB-CD2 4.39Å; W265-F413 HydrophobicContact CD2-CB 4.18Å; W265-F413 HydrophobicContact CD2-CD2 4.07Å; W265-F413 AromaticContact CE3-CD2 3.98Å; W265-F413 HydrophobicContact CE3-CD2 3.98Å; W265-F413 HydrophobicContact CG-CB 4.27Å; W265-F413 HydrophobicContact CG-CD2 4.25Å
266D80.9Confident81.4Confident49 Ų4953.9 Ų53.926%0.26227%0.274SS..  trans-84.3103.1178-169-39.2000110.9H263 D264 E268 K269 L270H263-D266 WeakPolarHBondContact O-CB 3.17Å; H263-D266 PolarHBondContact O-N 3.4Å; D264-D266 PolarHBondContact O-N 2.91Å; D264-D266 VanDerWaalsContact O-N 3.14Å; D266-E268 VanDerWaalsContact C-N 3.27Å; D266-E268 PolarHBondContact O-N 3.5Å; D266-E268 WeakPolarHBondContact OD1-CA 3.22Å; D266-E268 PolarHBondContact OD1-N 2.87Å; D266-K269 HydrophobicContact CB-CB 4.1Å; D266-K269 HydrophobicContact CB-CD 4.14Å; D266-K269 HydrophobicContact CB-CG 4.08Å; D266-K269 PolarHBondContact OD1-N 2.94Å; D266-K269 IonicContact OD2-NZ 2.79Å; D266-K269 PolarHBondContact OD2-NZ 3.03Å; D266-L270 WeakPolarHBondContact O-CB 2.76Å; D266-L270 PolarHBondContact O-N 3.44Å; D266-L270 VanDerWaalsContact O-N 3.08Å
267R84.8Confident81.4Confident79 Ų7957 Ų5730%0.29829%0.291SS..Hα-helixtrans-62.5-31178.8-173.7171.476.21780.4113.5L241 E244 T245 M248 W265 L271L241-R267 HydrophobicContact CD1-CB 4.31Å; E244-R267 IonicContact OE2-CZ 2.76Å; E244-R267 IonicContact OE2-NH1 2.74Å; E244-R267 PolarHBondContact OE2-NH1 3.47Å; T245-R267 HydrophobicContact CG2-CG 3.96Å; T245-R267 WeakPolarHBondContact OG1-CD 3.44Å; T245-R267 WeakPolarHBondContact OG1-CG 3.36Å; M248-R267 HydrophobicContact CE-CG 4.11Å; W265-R267 PolarHBondContact O-N 3.09Å; R267-L271 HydrophobicContact CG-CD1 4.09Å; R267-L271 WeakPolarHBondContact O-CB 3.43Å; R267-L271 WeakPolarHBondContact O-CD1 3.38Å; R267-L271 VanDerWaalsContact O-CG 3.23Å; R267-L271 WeakPolarHBondContact O-CG 3.42Å; R267-L271 PolarHBondContact O-N 3.24Å; R267-L271 VanDerWaalsContact O-N 3.07Å
268E84.6Confident81.3Confident144 Ų14457.3 Ų57.367%0.67330%0.297SS*.Hα-helixtrans-77.9-47.3-176.8-64.5-177.2-178.600109.9D266 L270 L271 E272D266-E268 VanDerWaalsContact C-N 3.27Å; D266-E268 PolarHBondContact O-N 3.5Å; D266-E268 WeakPolarHBondContact OD1-CA 3.22Å; D266-E268 PolarHBondContact OD1-N 2.87Å; E268-L270 VanDerWaalsContact C-N 3.26Å; E268-L270 PolarHBondContact O-N 3.28Å; E268-L271 PolarHBondContact O-N 3.37Å; E268-E272 WeakPolarHBondContact O-CG 3.42Å; E268-E272 PolarHBondContact O-N 2.97Å
269K84.5Confident81.3Confident106 Ų10662.6 Ų62.646%0.46132%0.321SS..Hα-helixtrans-56.4-40171.5-68-171.2-166.887.70112.5D266 A273D266-K269 HydrophobicContact CB-CB 4.1Å; D266-K269 HydrophobicContact CB-CD 4.14Å; D266-K269 HydrophobicContact CB-CG 4.08Å; D266-K269 PolarHBondContact OD1-N 2.94Å; D266-K269 IonicContact OD2-NZ 2.79Å; D266-K269 PolarHBondContact OD2-NZ 3.03Å; K269-A273 WeakPolarHBondContact O-CB 3.48Å; K269-A273 PolarHBondContact O-N 3.37Å
270L85.6Confident81.2Confident0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-65.6-46.3177.9174.853000111.8T245 L249 L259 L260 H263 D266 E268 E272 A273 W274T245-L270 HydrophobicContact CG2-CD2 3.78Å; L249-L270 HydrophobicContact CD1-CD2 4.31Å; L259-L270 HydrophobicContact CB-CD1 3.71Å; L259-L270 HydrophobicContact CB-CD2 3.73Å; L259-L270 HydrophobicContact CB-CG 4.4Å; L259-L270 HydrophobicContact CD1-CD1 4.07Å; L259-L270 HydrophobicContact CD2-CD1 4.41Å; L259-L270 HydrophobicContact CG-CD1 4.28Å; L260-L270 HydrophobicContact CD2-CD2 4.09Å; L260-L270 HydrophobicContact CG-CD2 4.04Å; H263-L270 HydrophobicContact CB-CB 4.06Å; D266-L270 WeakPolarHBondContact O-CB 2.76Å; D266-L270 PolarHBondContact O-N 3.44Å; D266-L270 VanDerWaalsContact O-N 3.08Å; E268-L270 VanDerWaalsContact C-N 3.26Å; E268-L270 PolarHBondContact O-N 3.28Å; L270-E272 VanDerWaalsContact C-N 3.35Å; L270-E272 PolarHBondContact O-N 2.85Å; L270-A273 PolarHBondContact O-N 3.16Å; L270-W274 VanDerWaalsContact O-CB 3.3Å; L270-W274 WeakPolarHBondContact O-CB 3.39Å; L270-W274 PolarHBondContact O-N 3.31Å
271L84.8Confident81.1Confident39 Ų3966.3 Ų66.320%0.20434%0.339CS..Hα-helixtrans-63.8-39177.1-72.4168.5000112M248 L249 R267 E268 W274 M275M248-L271 HydrophobicContact CB-CD2 4.12Å; M248-L271 HydrophobicContact CE-CD1 3.9Å; M248-L271 HydrophobicContact SD-CD1 4.34Å; L249-L271 HydrophobicContact CD2-CD2 4Å; R267-L271 HydrophobicContact CG-CD1 4.09Å; R267-L271 WeakPolarHBondContact O-CB 3.43Å; R267-L271 WeakPolarHBondContact O-CD1 3.38Å; R267-L271 VanDerWaalsContact O-CG 3.23Å; R267-L271 WeakPolarHBondContact O-CG 3.42Å; R267-L271 PolarHBondContact O-N 3.24Å; R267-L271 VanDerWaalsContact O-N 3.07Å; E268-L271 PolarHBondContact O-N 3.37Å; L271-W274 PolarHBondContact O-N 3.15Å; L271-M275 WeakPolarHBondContact O-CB 3.41Å; L271-M275 WeakPolarHBondContact O-CE 3.48Å; L271-M275 VanDerWaalsContact O-CG 3.28Å; L271-M275 WeakPolarHBondContact O-CG 3.45Å; L271-M275 PolarHBondContact O-N 2.89Å
272E86.3Confident80.9Confident131 Ų13165 Ų6561%0.61233%0.334SS*.Hα-helixtrans-62.8-45173.8-72.5-173.7162.300112.3E268 L270 S276E268-E272 WeakPolarHBondContact O-CG 3.42Å; E268-E272 PolarHBondContact O-N 2.97Å; L270-E272 VanDerWaalsContact C-N 3.35Å; L270-E272 PolarHBondContact O-N 2.85Å; E272-S276 WeakPolarHBondContact O-CB 3.45Å; E272-S276 PolarHBondContact O-N 2.83Å; E272-S276 PolarHBondContact O-OG 3.03Å
273A82.1Confident80.8Confident28 Ų2869.8 Ų69.823%0.23135%0.349CS..Hα-helixtrans-64.1-43177.100000112.2H263 K269 L270 S276 N277H263-A273 VanDerWaalsContact CE1-CB 3.44Å; H263-A273 WeakPolarHBondContact CE1-CB 3.47Å; K269-A273 WeakPolarHBondContact O-CB 3.48Å; K269-A273 PolarHBondContact O-N 3.37Å; L270-A273 PolarHBondContact O-N 3.16Å; A273-S276 WeakPolarHBondContact O-CB 3.33Å; A273-S276 PolarHBondContact O-N 3.23Å; A273-N277 PolarHBondContact O-N 2.96Å
274W83.2Confident80.5Confident46 Ų4677.2 Ų77.217%0.17438%0.376CS..Hα-helixtrans-65.4-44.9178.1-174.8-95.6000112.7L249 L259 L270 L271 S276 A278 P290L249-W274 HydrophobicContact CB-CZ2 4.12Å; L249-W274 HydrophobicContact CD2-CB 4.08Å; L249-W274 HydrophobicContact CD2-CD2 3.72Å; L249-W274 HydrophobicContact CD2-CE3 4.36Å; L249-W274 HydrophobicContact CD2-CG 3.57Å; L259-W274 HydrophobicContact CD1-CE3 4.05Å; L259-W274 HydrophobicContact CD1-CZ3 3.84Å; L270-W274 VanDerWaalsContact O-CB 3.3Å; L270-W274 WeakPolarHBondContact O-CB 3.39Å; L270-W274 PolarHBondContact O-N 3.31Å; L271-W274 PolarHBondContact O-N 3.15Å; W274-S276 PolarHBondContact O-N 2.94Å; W274-A278 HydrophobicContact CD2-CB 3.72Å; W274-A278 HydrophobicContact CE3-CB 3.86Å; W274-A278 HydrophobicContact CG-CB 4.3Å; W274-A278 HydrophobicContact CH2-CB 4.21Å; W274-A278 HydrophobicContact CZ2-CB 4.07Å; W274-A278 HydrophobicContact CZ3-CB 4.1Å; W274-A278 PolarHBondContact O-N 3.32Å; W274-P290 HydrophobicContact CH2-CG 4.17Å
275M83.9Confident80Confident152 Ų15272.9 Ų72.975%0.74935%0.353SS*.Hα-helixtrans-66.1-24.1174.2-72.7-171.6-64.700112.8L271L271-M275 WeakPolarHBondContact O-CB 3.41Å; L271-M275 WeakPolarHBondContact O-CE 3.48Å; L271-M275 VanDerWaalsContact O-CG 3.28Å; L271-M275 WeakPolarHBondContact O-CG 3.45Å; L271-M275 PolarHBondContact O-N 2.89Å
276S85.6Confident79.3Confident103 Ų10372.2 Ų72.272%0.7235%0.353SS*.Hα-helixtrans-79.2-51.9175.9-60.30000112.1E272 A273 W274E272-S276 WeakPolarHBondContact O-CB 3.45Å; E272-S276 PolarHBondContact O-N 2.83Å; E272-S276 PolarHBondContact O-OG 3.03Å; A273-S276 WeakPolarHBondContact O-CB 3.33Å; A273-S276 PolarHBondContact O-N 3.23Å; W274-S276 PolarHBondContact O-N 2.94Å
277N81.7Confident78.7Confident68 Ų6870.2 Ų70.236%0.36434%0.342SS..Hα-helixtrans-161.895.2176.1-170.5-1.6000112A273 E279 E280 C281A273-N277 PolarHBondContact O-N 2.96Å; N277-E279 PolarHBondContact O-N 2.81Å; N277-E279 PolarHBondContact OD1-N 3.24Å; N277-E280 HydrophobicContact CB-CB 4.01Å; N277-E280 VanDerWaalsContact CG-CB 3.5Å; N277-E280 WeakPolarHBondContact ND2-CB 3.5Å; N277-E280 PolarHBondContact ND2-OE2 3.5Å; N277-E280 PolarHBondContact O-N 2.68Å; N277-C281 WeakPolarHBondContact O-CB 3.38Å; N277-C281 PolarHBondContact O-N 3.14Å
278A78.5Confident77.6Confident27 Ų2771.3 Ų71.322%0.22335%0.351CS..Hα-helixtrans-60.4-39.7-179.100000113.9W274 E280 C281 C282W274-A278 HydrophobicContact CD2-CB 3.72Å; W274-A278 HydrophobicContact CE3-CB 3.86Å; W274-A278 HydrophobicContact CG-CB 4.3Å; W274-A278 HydrophobicContact CH2-CB 4.21Å; W274-A278 HydrophobicContact CZ2-CB 4.07Å; W274-A278 HydrophobicContact CZ3-CB 4.1Å; W274-A278 PolarHBondContact O-N 3.32Å; A278-E280 PolarHBondContact O-N 3.49Å; A278-C281 PolarHBondContact O-N 3.44Å; A278-C282 WeakPolarHBondContact O-CB 3.08Å; A278-C282 PolarHBondContact O-N 3.01Å
279E75.9Confident76.6Confident114 Ų11468.9 Ų68.953%0.53334%0.341SS..Hα-helixtrans-64.4-42.5179.7-70.7-175.1-173.900111.8N277 Q283 M289N277-E279 PolarHBondContact O-N 2.81Å; N277-E279 PolarHBondContact OD1-N 3.24Å; E279-Q283 WeakPolarHBondContact O-CB 3.38Å; E279-Q283 VanDerWaalsContact O-CG 3.24Å; E279-Q283 WeakPolarHBondContact O-CG 3.39Å; E279-Q283 PolarHBondContact O-N 2.8Å; E279-M289 HydrophobicContact CG-SD 3.88Å
280E76.2Confident75.5Confident72 Ų7264.5 Ų64.534%0.33632%0.323SS..Hα-helixtrans-72.6-33.3178-179.8175.5-171.700112.3N277 A278 Q283 R284N277-E280 HydrophobicContact CB-CB 4.01Å; N277-E280 VanDerWaalsContact CG-CB 3.5Å; N277-E280 WeakPolarHBondContact ND2-CB 3.5Å; N277-E280 PolarHBondContact ND2-OE2 3.5Å; N277-E280 PolarHBondContact O-N 2.68Å; A278-E280 PolarHBondContact O-N 3.49Å; E280-Q283 PolarHBondContact O-N 2.88Å; E280-R284 HydrophobicContact CG-CG 4.41Å; E280-R284 VanDerWaalsContact O-CB 3.3Å; E280-R284 WeakPolarHBondContact O-CB 3.15Å; E280-R284 VanDerWaalsContact O-CG 3.23Å; E280-R284 WeakPolarHBondContact O-CG 3.36Å; E280-R284 PolarHBondContact O-N 3.09Å; E280-R284 IonicContact OE1-CZ 2.8Å; E280-R284 IonicContact OE1-NE 3.74Å; E280-R284 PolarHBondContact OE1-NE 2.98Å; E280-R284 IonicContact OE1-NH2 2.62Å; E280-R284 PolarHBondContact OE1-NH2 2.8Å
281C78.1Confident74Confident6 Ų670.9 Ų70.94%0.04136%0.357CS..Hα-helixtrans-63.3-47.2171.8-179.50000111.5N277 A278 S285N277-C281 WeakPolarHBondContact O-CB 3.38Å; N277-C281 PolarHBondContact O-N 3.14Å; A278-C281 PolarHBondContact O-N 3.44Å; C281-S285 WeakPolarHBondContact O-CB 3.3Å; C281-S285 PolarHBondContact O-N 3.23Å; C281-S285 VanDerWaalsContact O-N 3.13Å; C281-S285 PolarHBondContact O-OG 2.87Å
282C74.1Confident72.2Confident1 Ų174 Ų741%0.00738%0.38CS..Hα-helixtrans-57.4-52.5171.2-82.40000111.9A278 R284 S285 G286 V287A278-C282 WeakPolarHBondContact O-CB 3.08Å; A278-C282 PolarHBondContact O-N 3.01Å; C282-R284 PolarHBondContact O-N 3.14Å; C282-S285 CarbonylContact O-C 3.38Å; C282-S285 PolarHBondContact O-N 3.43Å; C282-G286 PolarHBondContact O-N 3.36Å; C282-V287 CarbonylContact C-O 3.3Å; C282-V287 WeakPolarHBondContact CB-O 3.24Å; C282-V287 PolarHBondContact O-N 3.31Å
283Q71.9Confident70.2Confident140 Ų14072.2 Ų72.265%0.65438%0.379SS*.Hα-helixtrans-62.7-42.1-177.7-73.5169.726.200113E279 E280 S285 G286E279-Q283 WeakPolarHBondContact O-CB 3.38Å; E279-Q283 VanDerWaalsContact O-CG 3.24Å; E279-Q283 WeakPolarHBondContact O-CG 3.39Å; E279-Q283 PolarHBondContact O-N 2.8Å; E280-Q283 PolarHBondContact O-N 2.88Å; Q283-S285 VanDerWaalsContact C-N 3.33Å; Q283-S285 PolarHBondContact O-N 3.07Å; Q283-G286 WeakPolarHBondContact O-CA 3.49Å; Q283-G286 PolarHBondContact O-N 3.28Å
284R69.6Low68.2Low197 Ų19776.8 Ų76.874%0.74341%0.407SS*.Hα-helixtrans-68-31.8178.1-74.3175.2177.9-165.10.6113.4E280 C282 G286E280-R284 HydrophobicContact CG-CG 4.41Å; E280-R284 VanDerWaalsContact O-CB 3.3Å; E280-R284 WeakPolarHBondContact O-CB 3.15Å; E280-R284 VanDerWaalsContact O-CG 3.23Å; E280-R284 WeakPolarHBondContact O-CG 3.36Å; E280-R284 PolarHBondContact O-N 3.09Å; E280-R284 IonicContact OE1-CZ 2.8Å; E280-R284 IonicContact OE1-NE 3.74Å; E280-R284 PolarHBondContact OE1-NE 2.98Å; E280-R284 IonicContact OE1-NH2 2.62Å; E280-R284 PolarHBondContact OE1-NH2 2.8Å; C282-R284 PolarHBondContact O-N 3.14Å; R284-G286 PolarHBondContact O-N 3.42Å
285S68.3Low66.2Low8 Ų881 Ų816%0.05644%0.443CS..THydrogen-bonded Turntrans-81.5-1.9172.5-49.60000112.5L259 A262 C281 C282 Q283L259-S285 VanDerWaalsContact CD2-OG 3.26Å; L259-S285 WeakPolarHBondContact CD2-OG 3.36Å; A262-S285 WeakPolarHBondContact CB-OG 3.24Å; C281-S285 WeakPolarHBondContact O-CB 3.3Å; C281-S285 PolarHBondContact O-N 3.23Å; C281-S285 VanDerWaalsContact O-N 3.13Å; C281-S285 PolarHBondContact O-OG 2.87Å; C282-S285 CarbonylContact O-C 3.38Å; C282-S285 PolarHBondContact O-N 3.43Å; Q283-S285 VanDerWaalsContact C-N 3.33Å; Q283-S285 PolarHBondContact O-N 3.07Å
286G64.7Low64.2Low6 Ų676.9 Ų76.96%0.06244%0.44CS..THydrogen-bonded Turntrans64.445.9-178.700000112.9C282 Q283 R284 S1082 P1083C282-G286 PolarHBondContact O-N 3.36Å; Q283-G286 WeakPolarHBondContact O-CA 3.49Å; Q283-G286 PolarHBondContact O-N 3.28Å; R284-G286 PolarHBondContact O-N 3.42Å; G286-S1082 CarbonylContact O-C 3.53Å; G286-S1082 VanDerWaalsContact O-C 3.3Å; G286-S1082 WeakPolarHBondContact O-CA 3.49Å; G286-S1082 WeakPolarHBondContact O-CB 3.32Å; G286-P1083 WeakPolarHBondContact O-CD 3.26Å
287V68.3Low62.1Low8 Ų882.6 Ų82.65%0.04845%0.447CS..  trans-129.6141.1-170.4168.60000113T255 A258 C282 D1081T255-V287 HydrophobicContact CG2-CG1 3.68Å; T255-V287 WeakPolarHBondContact OG1-CG1 3.43Å; A258-V287 HydrophobicContact CB-CG2 3.78Å; C282-V287 CarbonylContact C-O 3.3Å; C282-V287 WeakPolarHBondContact CB-O 3.24Å; C282-V287 PolarHBondContact O-N 3.31Å; V287-D1081 WeakPolarHBondContact CG1-O 3.42Å
288Q63Low60Low102 Ų10285.4 Ų85.448%0.47746%0.462SS..PPolyproline II helixtrans-69.4139175.2-59-152.910.400109.6S351 D1081 P1083Q288-S351 PolarHBondContact NE2-O 3.33Å; Q288-D1081 PolarHBondContact N-O 3.14Å; Q288-P1083 HydrophobicContact CG-CG 3.57Å
289M62.3Low58.2Low93 Ų9389.7 Ų89.746%0.45849%0.486SS..PPolyproline II helixtrans-66130.6173.5-173.6-176.570.600108.9E279 N291E279-M289 HydrophobicContact CG-SD 3.88Å; M289-N291 PolarHBondContact O-N 3.39Å; M289-N291 VanDerWaalsContact O-N 3.17Å
290P61.2Low56.6Low14 Ų1494.7 Ų94.79%0.09150%0.5CS..PPolyproline II helixtrans-62.7120.9176.523.8-32.8000111A251 W274 V1080A251-P290 HydrophobicContact CB-CB 3.14Å; A251-P290 HydrophobicContact CB-CG 3.87Å; W274-P290 HydrophobicContact CH2-CG 4.17Å; P290-V1080 HydrophobicContact CB-CG2 4.49Å
291N55Low54.9Low134 Ų13498.2 Ų98.272%0.71752%0.521SS*.PPolyproline II helixtrans-63127169.3-78.7-61.6000109M289M289-N291 PolarHBondContact O-N 3.39Å; M289-N291 VanDerWaalsContact O-N 3.17Å
292P47.2Very low53.2Low104 Ų104103.8 Ų103.868%0.67556%0.555SS**PPolyproline II helixtrans-61.3134.6179.224.9-33.6000109.6
293P42.8Very low51.4Low93 Ų93111 Ų11160%0.60459%0.593SS**PPolyproline II helixtrans-61.5142-179.125.1-33.6000110.4S295P293-S295 PolarHBondContact O-N 3.25Å; P293-S295 VanDerWaalsContact O-N 3.14Å
294P41.8Very low49.8Very low124 Ų124110.3 Ų110.381%0.80560%0.601SS**PPolyproline II helixtrans-59.2122.7178.124.6-33.4000109.7G296P294-G296 PolarHBondContact O-N 3.4Å
295S39.4Very low47.8Very low134 Ų134106.3 Ų106.394%0.93760%0.603SS**THydrogen-bonded Turntrans-55.1120.7-170.5-170.50000112.2P293P293-S295 PolarHBondContact O-N 3.25Å; P293-S295 VanDerWaalsContact O-N 3.14Å
296G42.5Very low46.4Very low67 Ų67111.4 Ų111.469%0.69164%0.636SS**THydrogen-bonded Turntrans140.6-3.1167.300000118.6P294P294-G296 PolarHBondContact O-N 3.4Å
297Y40.8Very low45Very low223 Ų223122.1 Ų122.188%0.87567%0.674SS**  trans-116.5139.3-179.3-95.3-96.4000114.1
298N38.7Very low43.1Very low126 Ų126128.5 Ų128.567%0.67471%0.713SS**  trans-88.2143.6178.2-65.3-48000111.1W300N298-W300 VanDerWaalsContact C-N 3.29Å; N298-W300 PolarHBondContact O-N 3.31Å; N298-W300 VanDerWaalsContact O-N 3.13Å
299T41Very low41.8Very low118 Ų118129 Ų12972%0.72473%0.726SS**THydrogen-bonded Turntrans-79.412-166.443.20000116.6
300W41.2Very low40.3Very low218 Ų218136.7 Ų136.783%0.82675%0.75SS**THydrogen-bonded Turntrans-96.7-16.5-170.7-70.696.8000115.7N298N298-W300 VanDerWaalsContact C-N 3.29Å; N298-W300 PolarHBondContact O-N 3.31Å; N298-W300 VanDerWaalsContact O-N 3.13Å
301D40.7Very low38.7Very low147 Ų147141.7 Ų141.779%0.78678%0.78SS**SBendtrans-90.7-0.9-172.1-71.4-47.1000115
302T42.8Very low37.6Very low123 Ų123141.6 Ų141.676%0.75579%0.785SS**  trans-11062.5-176.951.40000113.5
303L36.9Very low36.9Very low152 Ų152148.6 Ų148.680%0.79680%0.798SS**  trans-111.6121.6164.1-71.5177.8000110.6S305L303-S305 PolarHBondContact O-N 3.34Å
304P36.7Very low36.4Very low126 Ų126148.9 Ų148.982%0.81880%0.802SS**  trans-67.7115.3174.6-18.832000111.5
305S28.7Very low36.1Very low112 Ų112148.5 Ų148.578%0.78380%0.802SS**  trans-75.1125.7178.1-163.10000111.4L303 R307L303-S305 PolarHBondContact O-N 3.34Å; S305-R307 VanDerWaalsContact C-N 3.33Å; S305-R307 PolarHBondContact O-N 2.88Å
306P38.8Very low35.7Very low116 Ų116147.9 Ų147.975%0.75379%0.792SS**SBendtrans-82.867-168.533.4-37.4000113.5
307R35.2Very low35.3Very low231 Ų231150.7 Ų150.787%0.87280%0.796SS**  trans-164.799.8161.8-90.5125-167.3-140.56.6112.4S305S305-R307 VanDerWaalsContact C-N 3.33Å; S305-R307 PolarHBondContact O-N 2.88Å
308T29.1Very low34.7Very low141 Ų141145.3 Ų145.387%0.86579%0.791SS**  trans-179.7141.6136.419.60000110.2
309P34.7Very low35.6Very low114 Ų114145 Ų14574%0.7480%0.796SS**  trans-78.5139.1175.131.9-33.2000111.3
310R30.6Very low35Very low253 Ų253146.6 Ų146.696%0.95580%0.8SS**  trans-76.9120.1170.5-75.4-179.9172.5171.6-1.9110.3
311T27.9Very low34.6Very low119 Ų119144.6 Ų144.673%0.7380%0.8SS**  trans-127.3122.8163.740.20000111.6
312T32.5Very low34.7Very low133 Ų133145.1 Ų145.182%0.81680%0.801SS**  trans35.3114.4151.457.10000119.2
313R31.7Very low33.9Very low251 Ų251145 Ų14595%0.94781%0.806SS**  trans-102.2130.9157.4-153.2176-174.6-168.60.6108.9
314S33.3Very low34.3Very low98 Ų98145.8 Ų145.869%0.68581%0.81SS**  trans-158.3168.6-176.9-67.90000111.4
315S34.2Very low34Very low116 Ų116147.9 Ų147.981%0.81181%0.813SS**  trans71.6147.2-169.179.70000113.4
316V32.3Very low34.1Very low121 Ų121147 Ų14773%0.73381%0.812SS**  cis-135.6129.134.5168.40000113.5
317T34.1Very low34.4Very low126 Ų126147.2 Ų147.277%0.77381%0.811SS**  trans21.9152.3151.371.40000121.9
318S28.4Very low34.4Very low111 Ų111144 Ų14478%0.77681%0.811SS**  cis-156.5168.325.852.90000112.5
319P57.5Low35.4Very low120 Ų120143.5 Ų143.578%0.77980%0.804SS**  trans-105.6147.8-172.338.1-31000115.2
320D27.4Very low36.1Very low150 Ų150145.9 Ų145.980%0.80281%0.81SS**  trans-165.7154.4137.1-135.1-25.3000114.5
321Q33.8Very low37.3Very low177 Ų177136.6 Ų136.683%0.82778%0.784SS**  trans66.7161.1166.1-58.8-172.516.500121
322I41.4Very low39.2Very low158 Ų158133.6 Ų133.681%0.8177%0.768SS**  trans-132.7137-155.5-61.7158.3000111
323S27.6Very low41.4Very low121 Ų121132.7 Ų132.785%0.84676%0.757SS**  trans-171.3137.6139.8-90.40000114.7
324L44.2Very low43.7Very low168 Ų168120.8 Ų120.888%0.8871%0.712SS**  trans-57.6142.7-179.3-59.2156000115.5
325L29.6Very low45.6Very low170 Ų170118.2 Ų118.289%0.8970%0.702SS**  -169111129-94.3174.2000104.7
326A31.8Very low47.8Very low92 Ų92116.8 Ų116.876%0.7668%0.684SS**  114.2155.583.700000108.1
327V44.8Very low50.1Low122 Ų122113.4 Ų113.474%0.73967%0.665SS**  trans-93.8137.7-172.6175.70000110.2D329V327-D329 HydrophobicContact CG1-CB 3.79Å
328D36.2Very low52.2Low162 Ų162114 Ų11487%0.86666%0.661SS**  trans-127.1137.1137.2-82.3-49.4000107.2
329D49.7Very low54.7Low132 Ų132111.7 Ų111.771%0.70665%0.645SS**  trans-128.563.5-165.6-173.426.3000109.4V327 S331V327-D329 HydrophobicContact CG1-CB 3.79Å; D329-S331 PolarHBondContact O-N 3.12Å
330D48.4Very low55.3Low163 Ų163109.5 Ų109.587%0.87263%0.632SS**  trans-73.670178.7-84.8-26.5000110.9S332D330-S332 PolarHBondContact O-N 3.06Å; D330-S332 VanDerWaalsContact O-N 3.1Å
331S57.6Low57.1Low58 Ų58103.7 Ų103.741%0.40660%0.601SS.*  trans-64.1105.4159.968.70000108.3D329 L333D329-S331 PolarHBondContact O-N 3.12Å; S331-L333 PolarHBondContact O-N 3.36Å; S331-L333 VanDerWaalsContact O-N 3.14Å
332S67.8Low58.3Low57 Ų5797.8 Ų97.840%0.39958%0.579SS.*PPolyproline II helixtrans-59.5120.1-175.843.30000110.4D330 I341D330-S332 PolarHBondContact O-N 3.06Å; D330-S332 VanDerWaalsContact O-N 3.1Å; S332-I341 WeakPolarHBondContact O-CB 3.35Å; S332-I341 VanDerWaalsContact O-CG1 3.29Å; S332-I341 WeakPolarHBondContact O-CG1 3.38Å; S332-I341 PolarHBondContact O-N 2.98Å
333L77.4Confident58.7Low114 Ų11499.8 Ų99.860%0.59758%0.582SS**BIsolated β-bridgetrans-85.5125.6-178-67172.4000109.6S331 G335S331-L333 PolarHBondContact O-N 3.36Å; S331-L333 VanDerWaalsContact O-N 3.14Å; L333-G335 PolarHBondContact O-N 3.12Å
334C79.8Confident59.5Low0 Ų0103.5 Ų103.50%058%0.584CS.*PPolyproline II helixtrans-64.3122176.8169.20000111.2I336 C337 M338 S339 I341 C357 C360C334-I336 PolarHBondContact O-N 2.87Å; C334-I336 PolarHBondContact SG-N 3.45Å; C334-C337 VanDerWaalsContact CB-SG 3.57Å; C334-C337 PolarHBondContact O-N 3.4Å; C334-M338 VanDerWaalsContact O-CA 3.28Å; C334-M338 WeakPolarHBondContact O-CA 3.48Å; C334-M338 PolarHBondContact O-N 2.92Å; C334-S339 PolarHBondContact N-O 3.2Å; C334-I341 HydrophobicContact CB-CD1 4.2Å; C334-I341 HydrophobicContact CB-CG1 4.02Å; C334-C357 HydrophobicContact CB-CB 3.96Å; C334-C357 PolarHBondContact SG-N 3Å; C334-C360 PolarHBondContact SG-SG 2.95Å
335G73.1Confident60Low45 Ų4599.5 Ų99.546%0.46456%0.561SS.*THydrogen-bonded Turntrans-62.3-11.7-178.900000116.3L333 M338L333-G335 PolarHBondContact O-N 3.12Å; G335-M338 WeakPolarHBondContact O-CE 3.42Å
336I80.9Confident61.1Low85 Ų85100 Ų10044%0.43656%0.559SS.*THydrogen-bonded Turntrans-96.2-48.4178.4-62.6166.2000111.7C334 F356 C360 P380C334-I336 PolarHBondContact O-N 2.87Å; C334-I336 PolarHBondContact SG-N 3.45Å; I336-F356 HydrophobicContact CD1-CB 4Å; I336-F356 HydrophobicContact CD1-CD1 3.63Å; I336-F356 HydrophobicContact CD1-CD2 4.12Å; I336-F356 HydrophobicContact CD1-CE1 4.06Å; I336-F356 HydrophobicContact CD1-CG 3.66Å; I336-F356 HydrophobicContact CD1-CZ 4.47Å; I336-F356 HydrophobicContact CG1-CD1 3.63Å; I336-F356 HydrophobicContact CG1-CE1 3.82Å; I336-F356 HydrophobicContact CG1-CG 4.2Å; I336-C360 HydrophobicContact CB-CB 4.36Å; I336-C360 HydrophobicContact CD1-CB 4.04Å; I336-C360 HydrophobicContact CG2-CB 4.46Å; I336-P380 HydrophobicContact CD1-CB 3.79Å; I336-P380 HydrophobicContact CD1-CG 4.39Å
337C81.4Confident62.3Low51 Ų51100.3 Ų100.335%0.34555%0.553SS.*THydrogen-bonded Turntrans-109.3-0.6-172.271.80000114.4C334 S339 C360C334-C337 VanDerWaalsContact CB-SG 3.57Å; C334-C337 PolarHBondContact O-N 3.4Å; C337-S339 PolarHBondContact O-N 3.39Å; C337-S339 PolarHBondContact O-OG 3.18Å; C337-C360 PolarHBondContact SG-SG 3.03Å
338M77.9Confident63.1Low137 Ų13795.4 Ų95.468%0.67552%0.523SS*.  trans51.723.3-179-55.8-61.7169.500114.5C334 G335C334-M338 VanDerWaalsContact O-CA 3.28Å; C334-M338 WeakPolarHBondContact O-CA 3.48Å; C334-M338 PolarHBondContact O-N 2.92Å; G335-M338 WeakPolarHBondContact O-CE 3.42Å
339S79.7Confident64.3Low64 Ų6494.3 Ų94.345%0.44852%0.517SS..PPolyproline II helixtrans-95.7148175.3-530000110.5C334 C337 I341C334-S339 PolarHBondContact N-O 3.2Å; C337-S339 PolarHBondContact O-N 3.39Å; C337-S339 PolarHBondContact O-OG 3.18Å; S339-I341 PolarHBondContact O-N 2.65Å
340S70.5Confident65.1Low73 Ų7388.4 Ų88.451%0.5149%0.485SS..BIsolated β-bridgetrans-60.4125.2171.353.60000111
341I65.8Low65.9Low28 Ų2883 Ų8314%0.14446%0.461CS..PPolyproline II helixtrans-72.5134.3173.1-62.9168.8000108.7S332 C334 S339 F343 D355S332-I341 WeakPolarHBondContact O-CB 3.35Å; S332-I341 VanDerWaalsContact O-CG1 3.29Å; S332-I341 WeakPolarHBondContact O-CG1 3.38Å; S332-I341 PolarHBondContact O-N 2.98Å; C334-I341 HydrophobicContact CB-CD1 4.2Å; C334-I341 HydrophobicContact CB-CG1 4.02Å; S339-I341 PolarHBondContact O-N 2.65Å; I341-F343 PolarHBondContact O-N 3.44Å; I341-D355 HydrophobicContact CD1-CB 3.96Å
342S58.2Low66.7Low54 Ų5482.3 Ų82.338%0.37846%0.455SS..PPolyproline II helixtrans-73.7126.3-174.2-44.80000111.5F344 E345S342-F344 PolarHBondContact O-N 2.71Å; S342-E345 WeakPolarHBondContact CB-OE2 3.23Å; S342-E345 PolarHBondContact O-N 2.78Å; S342-E345 PolarHBondContact OG-OE2 3.25Å
343F49.9Very low66.9Low199 Ų19982.1 Ų82.187%0.87346%0.462SS*.THydrogen-bonded Turntrans-59.7-11.4172.6-170.2-92.7000114.2I341I341-F343 PolarHBondContact O-N 3.44Å
344F46Very low66.9Low200 Ų20079.5 Ų79.588%0.87745%0.447SS*.THydrogen-bonded Turntrans-103.1-0.3177.2-70.6-84.1000114.2S342S342-F344 PolarHBondContact O-N 2.71Å
345E54.3Low66.8Low84 Ų8483.6 Ų83.639%0.39347%0.469SS..SBendtrans-98.3130167.9-70.7176.3102.500108.3S342 P347S342-E345 WeakPolarHBondContact CB-OE2 3.23Å; S342-E345 PolarHBondContact O-N 2.78Å; S342-E345 PolarHBondContact OG-OE2 3.25Å; E345-P347 WeakPolarHBondContact O-CD 3.48Å
346E51.9Low67.3Low181 Ų18182.5 Ų82.585%0.84645%0.451SS*.PPolyproline II helixtrans-65.1123.2172.9-69.9-179.413700108.8
347P57.4Low67.3Low98 Ų9879.6 Ų79.664%0.63644%0.438SS*.PPolyproline II helixtrans-67144.2179.627.9-34.1000110.4E345 D349E345-P347 WeakPolarHBondContact O-CD 3.48Å; P347-D349 PolarHBondContact O-N 2.96Å
348V61.6Low67.3Low19 Ų1981.9 Ų81.912%0.11544%0.44CS..  trans-75.995.2177.2-179.10000108.4M350 W361 V392 V396V348-M350 HydrophobicContact CG1-CG 4.42Å; V348-W361 HydrophobicContact CG2-CG 4.5Å; V348-V392 HydrophobicContact CG1-CG1 3.48Å; V348-V392 VanDerWaalsContact CG1-CG1 3.48Å; V348-V392 HydrophobicContact CG1-CG2 4.31Å; V348-V396 HydrophobicContact CG1-CG2 4.4Å; V348-V396 HydrophobicContact CG2-CG2 3.87Å
349D61.6Low67.5Low138 Ų13878.7 Ų78.774%0.73844%0.435SS*.  trans-64.1137.4178.5-166.79.7000111.1P347P347-D349 PolarHBondContact O-N 2.96Å
350M67.1Low67.7Low8 Ų876.5 Ų76.54%0.03942%0.419CS..  trans-149.1135.2-173.6-72.9-67.9-57.600107.3V348 C352 G353 W361 C379 Q386 V388 P389 V392V348-M350 HydrophobicContact CG1-CG 4.42Å; M350-C352 PolarHBondContact O-N 3.36Å; M350-G353 PolarHBondContact O-N 2.77Å; M350-G353 VanDerWaalsContact O-N 3.08Å; M350-W361 HydrophobicContact CE-CH2 4.14Å; M350-W361 HydrophobicContact CG-CH2 4.25Å; M350-W361 HydrophobicContact CG-CZ2 3.85Å; M350-W361 HydrophobicContact SD-CH2 4.1Å; M350-W361 HydrophobicContact SD-CZ2 4.27Å; M350-C379 HydrophobicContact CE-CB 4.2Å; M350-Q386 HydrophobicContact CE-CG 3.3Å; M350-V388 HydrophobicContact CE-CG2 4.41Å; M350-V388 HydrophobicContact SD-CG1 4.39Å; M350-P389 HydrophobicContact SD-CG 4.3Å; M350-V392 HydrophobicContact SD-CG1 4.17Å; M350-V392 HydrophobicContact SD-CG2 4.14Å
351S64.9Low68.4Low51 Ų5173 Ų7336%0.35740%0.395SS..THydrogen-bonded Turntrans-6427.8-167.941.30000117.2Q288 Q386 S1082Q288-S351 PolarHBondContact NE2-O 3.33Å; S351-Q386 PolarHBondContact OG-NE2 2.94Å; S351-Q386 PolarHBondContact OG-OE1 3.06Å; S351-S1082 PolarHBondContact OG-O 3.02Å
352C73.6Confident69.3Low42 Ų4275.1 Ų75.128%0.28440%0.404SS..THydrogen-bonded Turntrans-162.4-12-162.542.30000114.2M350 Q386 P1083 R1084M350-C352 PolarHBondContact O-N 3.36Å; C352-Q386 PolarHBondContact SG-OE1 2.96Å; C352-P1083 HydrophobicContact CB-CB 3.74Å; C352-R1084 HydrophobicContact CB-CB 4.22Å; C352-R1084 HydrophobicContact CB-CG 3.55Å; C352-R1084 PolarHBondContact O-NH1 3.01Å; C352-R1084 PolarHBondContact SG-NE 3.1Å; C352-R1084 PolarHBondContact SG-NH1 2.99Å; C352-R1084 VanDerWaalsContact SG-NH1 3.39Å; C352-R1084 PolarHBondContact SG-NH2 3.13Å; C352-R1084 VanDerWaalsContact SG-NH2 3.39Å
353G71.8Confident70.5Confident54 Ų5474.5 Ų74.556%0.55741%0.406SS*.  trans66.361.7166.800000117.2M350 R1084M350-G353 PolarHBondContact O-N 2.77Å; M350-G353 VanDerWaalsContact O-N 3.08Å; G353-R1084 VanDerWaalsContact C-NH1 3.32Å
354H78.4Confident72.2Confident59 Ų5967.6 Ų67.627%0.27338%0.376SS..  trans-130.5132.5161.7-56.9153.6000107F356 A381 R1084 S1085 D1086H354-F356 HydrophobicContact CB-CE2 4.47Å; H354-F356 HydrophobicContact CB-CZ 4.34Å; H354-A381 VanDerWaalsContact ND1-CB 3.3Å; H354-A381 WeakPolarHBondContact ND1-CB 3.36Å; H354-R1084 VanDerWaalsContact CB-NH1 3.35Å; H354-R1084 PolarHBondContact CD2-NH1 3.25Å; H354-R1084 PolarHBondContact CE1-NH1 2.89Å; H354-R1084 PolarHBondContact ND1-NE 3.05Å; H354-R1084 PolarHBondContact ND1-NH1 3.34Å; H354-R1084 VanDerWaalsContact ND1-NH1 3.13Å; H354-R1084 PolarHBondContact NE2-NH1 3.42Å; H354-R1084 PolarHBondContact O-NH2 2.91Å; H354-S1085 PolarHBondContact CE1-OG 3.22Å; H354-D1086 IonicContact CE1-OD2 3.13Å; H354-D1086 PolarHBondContact CE1-OD2 2.78Å; H354-D1086 IonicContact NE2-OD2 3.78Å
355D76.7Confident74Confident86 Ų8658.1 Ų58.146%0.4633%0.334SS..  trans-109124.7-167.1-52.7-31.2000110.4I341I341-D355 HydrophobicContact CD1-CB 3.96Å
356F83.1Confident75.4Confident22 Ų2255.4 Ų55.410%0.09632%0.322CS..  trans-124.5149.6176.1-54.8-57.9000110I336 H354 C360 W361 P380 A381I336-F356 HydrophobicContact CD1-CB 4Å; I336-F356 HydrophobicContact CD1-CD1 3.63Å; I336-F356 HydrophobicContact CD1-CD2 4.12Å; I336-F356 HydrophobicContact CD1-CE1 4.06Å; I336-F356 HydrophobicContact CD1-CG 3.66Å; I336-F356 HydrophobicContact CD1-CZ 4.47Å; I336-F356 HydrophobicContact CG1-CD1 3.63Å; I336-F356 HydrophobicContact CG1-CE1 3.82Å; I336-F356 HydrophobicContact CG1-CG 4.2Å; H354-F356 HydrophobicContact CB-CE2 4.47Å; H354-F356 HydrophobicContact CB-CZ 4.34Å; F356-C360 HydrophobicContact CB-CB 4.42Å; F356-W361 AromaticContact CD2-CE2 3.98Å; F356-W361 HydrophobicContact CD2-CZ2 4.08Å; F356-W361 AromaticContact CD2-NE1 3.96Å; F356-P380 HydrophobicContact CD2-CB 4.11Å; F356-P380 HydrophobicContact CD2-CG 4.08Å; F356-P380 HydrophobicContact CE2-CB 3.77Å; F356-P380 HydrophobicContact CE2-CG 4.11Å; F356-P380 HydrophobicContact CZ-CB 4.3Å; F356-A381 HydrophobicContact CZ-CB 4.1Å
357C82.5Confident77Confident23 Ų2351.3 Ų51.316%0.15531%0.306CS..  trans-60.7147.5179.991.20000111.2C334 A359 C360 W361C334-C357 HydrophobicContact CB-CB 3.96Å; C334-C357 PolarHBondContact SG-N 3Å; C357-A359 VanDerWaalsContact C-N 3.29Å; C357-A359 PolarHBondContact O-N 2.91Å; C357-C360 HydrophobicContact CB-CB 4.14Å; C357-C360 WeakPolarHBondContact CB-SG 3.43Å; C357-C360 WeakPolarHBondContact O-CA 3.34Å; C357-C360 WeakPolarHBondContact O-CB 3.43Å; C357-C360 PolarHBondContact O-N 3.25Å; C357-C360 WeakPolarHBondContact SG-CB 3.48Å; C357-C360 PolarHBondContact SG-N 3.27Å; C357-C360 CovalentContact SG-SG 2.06Å; C357-C360 PolarHBondContact SG-SG 3.22Å; C357-W361 PolarHBondContact O-N 3.43Å
358R80.9Confident78.1Confident100 Ų10049.1 Ų49.138%0.37729%0.286SS..Hα-helixtrans-58-41.1-177.9-174.3176.7169.597.412.2112.5C360 W361 E362 S395 V396R358-C360 PolarHBondContact O-N 2.97Å; R358-W361 PolarHBondContact O-N 2.9Å; R358-E362 WeakPolarHBondContact O-CB 3.47Å; R358-E362 PolarHBondContact O-N 3.12Å; R358-S395 PolarHBondContact NH1-O 3.05Å; R358-S395 PolarHBondContact NH2-O 3.23Å; R358-V396 PolarHBondContact NH2-O 3.25Å
359A81.2Confident79.1Confident70 Ų7048.3 Ų48.358%0.57928%0.281SS*.Hα-helixtrans-65.6-23.9174.100000113.8C357 G363C357-A359 VanDerWaalsContact C-N 3.29Å; C357-A359 PolarHBondContact O-N 2.91Å; A359-G363 PolarHBondContact O-N 2.74Å
360C84.7Confident80Confident17 Ų1747.6 Ų47.612%0.11527%0.274CS..Hα-helixtrans-77.5-46178.2-54.30000110.1C334 I336 C337 F356 C357 R358 G363 F364C334-C360 PolarHBondContact SG-SG 2.95Å; I336-C360 HydrophobicContact CB-CB 4.36Å; I336-C360 HydrophobicContact CD1-CB 4.04Å; I336-C360 HydrophobicContact CG2-CB 4.46Å; C337-C360 PolarHBondContact SG-SG 3.03Å; F356-C360 HydrophobicContact CB-CB 4.42Å; C357-C360 HydrophobicContact CB-CB 4.14Å; C357-C360 WeakPolarHBondContact CB-SG 3.43Å; C357-C360 WeakPolarHBondContact O-CA 3.34Å; C357-C360 WeakPolarHBondContact O-CB 3.43Å; C357-C360 PolarHBondContact O-N 3.25Å; C357-C360 WeakPolarHBondContact SG-CB 3.48Å; C357-C360 PolarHBondContact SG-N 3.27Å; C357-C360 CovalentContact SG-SG 2.06Å; C357-C360 PolarHBondContact SG-SG 3.22Å; R358-C360 PolarHBondContact O-N 2.97Å; C360-G363 PolarHBondContact O-N 3.42Å; C360-F364 WeakPolarHBondContact O-CB 3.33Å; C360-F364 PolarHBondContact O-N 2.69Å
361W85.1Confident80.6Confident1 Ų152 Ų520%0.00429%0.294CS..Hα-helixtrans-59.4-48.7168.9-87.1115.5000111.6V348 M350 F356 C357 R358 G363 F364 L365 C379 P380 V388 V396V348-W361 HydrophobicContact CG2-CG 4.5Å; M350-W361 HydrophobicContact CE-CH2 4.14Å; M350-W361 HydrophobicContact CG-CH2 4.25Å; M350-W361 HydrophobicContact CG-CZ2 3.85Å; M350-W361 HydrophobicContact SD-CH2 4.1Å; M350-W361 HydrophobicContact SD-CZ2 4.27Å; F356-W361 AromaticContact CD2-CE2 3.98Å; F356-W361 HydrophobicContact CD2-CZ2 4.08Å; F356-W361 AromaticContact CD2-NE1 3.96Å; C357-W361 PolarHBondContact O-N 3.43Å; R358-W361 PolarHBondContact O-N 2.9Å; W361-G363 PolarHBondContact O-N 3.28Å; W361-F364 PolarHBondContact O-N 3.34Å; W361-L365 HydrophobicContact CE3-CD1 4.25Å; W361-L365 HydrophobicContact CE3-CD2 4.49Å; W361-L365 HydrophobicContact CE3-CG 4.25Å; W361-L365 WeakPolarHBondContact O-CB 3.35Å; W361-L365 VanDerWaalsContact O-CG 3.28Å; W361-L365 WeakPolarHBondContact O-CG 3.33Å; W361-L365 PolarHBondContact O-N 2.81Å; W361-C379 HydrophobicContact CH2-CB 3.97Å; W361-P380 HydrophobicContact CD2-CG 4.44Å; W361-P380 HydrophobicContact CE3-CG 4.03Å; W361-P380 HydrophobicContact CH2-CG 4.24Å; W361-P380 HydrophobicContact CZ3-CG 3.93Å; W361-V388 HydrophobicContact CH2-CG1 4.49Å; W361-V388 HydrophobicContact CH2-CG2 4.06Å; W361-V388 HydrophobicContact CZ3-CG1 4.1Å; W361-V388 HydrophobicContact CZ3-CG2 3.79Å; W361-V396 HydrophobicContact CB-CG1 3.98Å
362E84Confident80.7Confident72 Ų7250.7 Ų50.734%0.33629%0.288SS..Hα-helixtrans-59.3-45.7177.3178.4172.9-163.900111.5R358 N366 V396R358-E362 WeakPolarHBondContact O-CB 3.47Å; R358-E362 PolarHBondContact O-N 3.12Å; E362-N366 WeakPolarHBondContact CG-ND2 3.5Å; E362-N366 WeakPolarHBondContact O-CB 3.17Å; E362-N366 PolarHBondContact O-N 3.05Å; E362-N366 PolarHBondContact O-ND2 3.21Å; E362-V396 HydrophobicContact CB-CG1 3.96Å
363G83.1Confident80.2Confident40 Ų4054.6 Ų54.641%0.41230%0.303SS..Hα-helixtrans-59.5-47.3175.900000113A359 C360 W361 L367A359-G363 PolarHBondContact O-N 2.74Å; C360-G363 PolarHBondContact O-N 3.42Å; W361-G363 PolarHBondContact O-N 3.28Å; G363-L367 WeakPolarHBondContact O-CB 3.37Å; G363-L367 PolarHBondContact O-N 3.41Å
364F86.1Confident79.8Confident55 Ų5552.1 Ų52.124%0.24128%0.277CS..Hα-helixtrans-64-49.5178.6174-94.4000112.7C360 W361 L367 K368 I377 F378 P380C360-F364 WeakPolarHBondContact O-CB 3.33Å; C360-F364 PolarHBondContact O-N 2.69Å; W361-F364 PolarHBondContact O-N 3.34Å; F364-L367 WeakPolarHBondContact O-CB 3.1Å; F364-L367 PolarHBondContact O-N 3.46Å; F364-K368 HydrophobicContact CE1-CG 4.45Å; F364-K368 HydrophobicContact CE2-CG 4.4Å; F364-K368 HydrophobicContact CZ-CG 4.18Å; F364-K368 PolarHBondContact O-N 3.17Å; F364-I377 HydrophobicContact CE1-CG2 3.96Å; F364-F378 WeakPolarHBondContact CE1-O 3.44Å; F364-F378 WeakPolarHBondContact CZ-O 3.39Å; F364-P380 HydrophobicContact CB-CG 4.25Å; F364-P380 HydrophobicContact CD1-CG 3.65Å; F364-P380 HydrophobicContact CD2-CB 4.18Å; F364-P380 HydrophobicContact CD2-CG 4.05Å; F364-P380 HydrophobicContact CE1-CG 3.91Å; F364-P380 HydrophobicContact CE2-CB 4.3Å; F364-P380 HydrophobicContact CE2-CG 4.28Å; F364-P380 HydrophobicContact CG-CB 4.32Å; F364-P380 HydrophobicContact CG-CG 3.72Å; F364-P380 HydrophobicContact CZ-CG 4.21Å
365L83.9Confident78.9Confident0 Ų052.8 Ų52.80%028%0.28CS..Hα-helixtrans-66.1-43.3-179.6-66176.4000111W361 L367 K368 I369 I377 I393 V396 V397W361-L365 HydrophobicContact CE3-CD1 4.25Å; W361-L365 HydrophobicContact CE3-CD2 4.49Å; W361-L365 HydrophobicContact CE3-CG 4.25Å; W361-L365 WeakPolarHBondContact O-CB 3.35Å; W361-L365 VanDerWaalsContact O-CG 3.28Å; W361-L365 WeakPolarHBondContact O-CG 3.33Å; W361-L365 PolarHBondContact O-N 2.81Å; L365-L367 VanDerWaalsContact C-N 3.27Å; L365-L367 PolarHBondContact O-N 2.87Å; L365-K368 PolarHBondContact O-N 2.96Å; L365-I369 HydrophobicContact CB-CD1 4.49Å; L365-I369 VanDerWaalsContact O-CB 3.31Å; L365-I369 WeakPolarHBondContact O-CB 3.34Å; L365-I369 WeakPolarHBondContact O-CD1 3.31Å; L365-I369 WeakPolarHBondContact O-CG1 3.22Å; L365-I369 PolarHBondContact O-N 2.91Å; L365-I377 HydrophobicContact CD2-CG2 3.68Å; L365-I393 HydrophobicContact CD1-CG1 4.36Å; L365-I393 HydrophobicContact CD2-CG1 4.23Å; L365-V396 HydrophobicContact CD1-CB 4.07Å; L365-V396 HydrophobicContact CD1-CG1 3.97Å; L365-V397 HydrophobicContact CB-CG1 3.5Å; L365-V397 HydrophobicContact CD1-CG1 3.79Å; L365-V397 HydrophobicContact CG-CG1 4.3Å
366N84.7Confident78.4Confident28 Ų2851.7 Ų51.715%0.1527%0.274CS..Hα-helixtrans-61.3-35.4175-72.5-21.9000111.8E362 Q370 M401E362-N366 WeakPolarHBondContact CG-ND2 3.5Å; E362-N366 WeakPolarHBondContact O-CB 3.17Å; E362-N366 PolarHBondContact O-N 3.05Å; E362-N366 PolarHBondContact O-ND2 3.21Å; N366-Q370 WeakPolarHBondContact O-CB 3.43Å; N366-Q370 WeakPolarHBondContact O-CG 3.49Å; N366-Q370 PolarHBondContact O-N 3.12Å; N366-Q370 PolarHBondContact O-NE2 3.35Å; N366-M401 HydrophobicContact CB-CG 4.41Å; N366-M401 WeakPolarHBondContact OD1-CG 3.48Å
367L83.9Confident78.1Confident95 Ų9551 Ų5150%0.49727%0.271SS..Hα-helixtrans-66.4-54.5174.2-170.281.5000110.9G363 F364 L365 I369 Q370 E371G363-L367 WeakPolarHBondContact O-CB 3.37Å; G363-L367 PolarHBondContact O-N 3.41Å; F364-L367 WeakPolarHBondContact O-CB 3.1Å; F364-L367 PolarHBondContact O-N 3.46Å; L365-L367 VanDerWaalsContact C-N 3.27Å; L365-L367 PolarHBondContact O-N 2.87Å; L367-I369 VanDerWaalsContact C-N 3.3Å; L367-I369 PolarHBondContact O-N 2.8Å; L367-Q370 CarbonylContact O-C 3.29Å; L367-Q370 WeakPolarHBondContact O-CA 3.48Å; L367-Q370 WeakPolarHBondContact O-CB 3.47Å; L367-Q370 PolarHBondContact O-N 2.93Å; L367-E371 HydrophobicContact CG-CG 4.49Å; L367-E371 WeakPolarHBondContact O-CG 3.4Å; L367-E371 PolarHBondContact O-N 3.23Å
368K80.9Confident78Confident52 Ų5253.9 Ų53.923%0.22628%0.281CS..Hα-helixtrans-63-33.6-178-84.4-74.7163.7-148.80113.6F364 L365 Q370 E371 G372 E373 I377F364-K368 HydrophobicContact CE1-CG 4.45Å; F364-K368 HydrophobicContact CE2-CG 4.4Å; F364-K368 HydrophobicContact CZ-CG 4.18Å; F364-K368 PolarHBondContact O-N 3.17Å; L365-K368 PolarHBondContact O-N 2.96Å; K368-Q370 VanDerWaalsContact C-N 3.31Å; K368-E371 WeakPolarHBondContact CD-OE2 3.3Å; K368-E371 WeakPolarHBondContact CE-OE2 3.4Å; K368-E371 IonicContact NZ-OE2 3.13Å; K368-E371 PolarHBondContact NZ-OE2 2.75Å; K368-G372 PolarHBondContact O-N 3.23Å; K368-E373 IonicContact NZ-OE2 2.64Å; K368-E373 PolarHBondContact NZ-OE2 3.18Å; K368-I377 HydrophobicContact CB-CD1 4.48Å
369I82Confident78.1Confident1 Ų149.3 Ų49.31%0.00527%0.265CS..Hα-helixtrans-71.7-24.3172.8-65.5163.5000111.9L365 L367 I377 I393 V397 M401 R404 Y405 F408L365-I369 HydrophobicContact CB-CD1 4.49Å; L365-I369 VanDerWaalsContact O-CB 3.31Å; L365-I369 WeakPolarHBondContact O-CB 3.34Å; L365-I369 WeakPolarHBondContact O-CD1 3.31Å; L365-I369 WeakPolarHBondContact O-CG1 3.22Å; L365-I369 PolarHBondContact O-N 2.91Å; L367-I369 VanDerWaalsContact C-N 3.3Å; L367-I369 PolarHBondContact O-N 2.8Å; I369-I377 HydrophobicContact CG1-CD1 4.09Å; I369-I393 HydrophobicContact CD1-CG2 4.23Å; I369-V397 HydrophobicContact CD1-CG1 4.21Å; I369-M401 HydrophobicContact CD1-CB 4.27Å; I369-M401 HydrophobicContact CG2-CB 4.22Å; I369-R404 HydrophobicContact CG2-CB 3.76Å; I369-Y405 HydrophobicContact CG1-CD2 4.31Å; I369-F408 WeakPolarHBondContact O-CE2 3.42Å
370Q81.6Confident78.1Confident124 Ų12447.3 Ų47.358%0.57925%0.246SC*.Hα-helixtrans-84.1-32.3173.6-77.4170.468.700113.1N366 L367 K368 G372N366-Q370 WeakPolarHBondContact O-CB 3.43Å; N366-Q370 WeakPolarHBondContact O-CG 3.49Å; N366-Q370 PolarHBondContact O-N 3.12Å; N366-Q370 PolarHBondContact O-NE2 3.35Å; L367-Q370 CarbonylContact O-C 3.29Å; L367-Q370 WeakPolarHBondContact O-CA 3.48Å; L367-Q370 WeakPolarHBondContact O-CB 3.47Å; L367-Q370 PolarHBondContact O-N 2.93Å; K368-Q370 VanDerWaalsContact C-N 3.31Å; Q370-G372 PolarHBondContact O-N 2.86Å
371E80Confident77.8Confident99 Ų9947.6 Ų47.646%0.46325%0.249SC..Hα-helixtrans-68.9-21.4173.5-69.9172.416700112.6L367 K368L367-E371 HydrophobicContact CG-CG 4.49Å; L367-E371 WeakPolarHBondContact O-CG 3.4Å; L367-E371 PolarHBondContact O-N 3.23Å; K368-E371 WeakPolarHBondContact CD-OE2 3.3Å; K368-E371 WeakPolarHBondContact CE-OE2 3.4Å; K368-E371 IonicContact NZ-OE2 3.13Å; K368-E371 PolarHBondContact NZ-OE2 2.75Å
372G66.9Low77.4Confident24 Ų2452 Ų5225%0.24727%0.267CS..SBendtrans91.1-11.8173.800000115K368 Q370 A374K368-G372 PolarHBondContact O-N 3.23Å; Q370-G372 PolarHBondContact O-N 2.86Å; G372-A374 PolarHBondContact O-N 3.16Å
373E61.7Low77Confident125 Ų12551.4 Ų51.458%0.58427%0.266SS*.  trans-74.538.7176.1-61.3-175.4144.200113.3K368 H375K368-E373 IonicContact NZ-OE2 2.64Å; K368-E373 PolarHBondContact NZ-OE2 3.18Å; E373-H375 PolarHBondContact O-N 3.23Å
374A63.6Low76.7Confident1 Ų150 Ų501%0.00825%0.249CC..G310 helixtrans-68.3-0.7-175.100000114.8G372 I377 Y405 F408G372-A374 PolarHBondContact O-N 3.16Å; A374-I377 HydrophobicContact CB-CD1 4.47Å; A374-Y405 HydrophobicContact CB-CD2 3.97Å; A374-Y405 HydrophobicContact CB-CE2 4.34Å; A374-Y405 WeakPolarHBondContact O-CE2 3.49Å; A374-F408 HydrophobicContact CB-CB 3.72Å; A374-F408 HydrophobicContact CB-CD2 3.88Å; A374-F408 HydrophobicContact CB-CG 4.09Å
375H59.8Low75.9Confident73 Ų7353.4 Ų53.434%0.33826%0.262SS..G310 helixtrans-75.6-37.5-169.9-62.840.2000112E373E373-H375 PolarHBondContact O-N 3.23Å
376N67.3Low75.2Confident64 Ų6453.4 Ų53.434%0.34226%0.262SS..G310 helixtrans-134.970.8179-72.2-47.4000109.7F378 L387N376-F378 HydrophobicContact CB-CE2 3.87Å; N376-F378 HydrophobicContact CB-CZ 4.01Å; N376-F378 VanDerWaalsContact O-CD2 3.3Å; N376-F378 WeakPolarHBondContact O-CD2 3.35Å; N376-F378 PolarHBondContact O-N 3.43Å; N376-F378 VanDerWaalsContact O-N 3.13Å; N376-L387 HydrophobicContact CB-CD2 3.73Å; N376-L387 WeakPolarHBondContact OD1-CD2 3.39Å
377I76.4Confident74.7Confident8 Ų852.7 Ų52.74%0.04126%0.258CS..  trans-73.1106.8175.6-58.7-175.3000108.6F364 L365 K368 I369 A374 L387 V388 I393 Y405F364-I377 HydrophobicContact CE1-CG2 3.96Å; L365-I377 HydrophobicContact CD2-CG2 3.68Å; K368-I377 HydrophobicContact CB-CD1 4.48Å; I369-I377 HydrophobicContact CG1-CD1 4.09Å; A374-I377 HydrophobicContact CB-CD1 4.47Å; I377-L387 CarbonylContact O-C 3.31Å; I377-L387 WeakPolarHBondContact O-CA 3.34Å; I377-V388 HydrophobicContact CG2-CB 4.44Å; I377-V388 HydrophobicContact CG2-CG2 4.12Å; I377-V388 WeakPolarHBondContact O-CG2 3.32Å; I377-V388 PolarHBondContact O-N 3.1Å; I377-I393 HydrophobicContact CD1-CD1 4.26Å; I377-Y405 HydrophobicContact CD1-CD2 3.85Å; I377-Y405 HydrophobicContact CD1-CE2 3.8Å; I377-Y405 HydrophobicContact CG1-CE2 4.43Å
378F80.2Confident74.3Confident82 Ų8248.5 Ų48.536%0.3624%0.236SC..BIsolated β-bridgetrans-86.2153175.6-67.8-63.3000112F364 N376 C384 Y385 Q386 L387F364-F378 WeakPolarHBondContact CE1-O 3.44Å; F364-F378 WeakPolarHBondContact CZ-O 3.39Å; N376-F378 HydrophobicContact CB-CE2 3.87Å; N376-F378 HydrophobicContact CB-CZ 4.01Å; N376-F378 VanDerWaalsContact O-CD2 3.3Å; N376-F378 WeakPolarHBondContact O-CD2 3.35Å; N376-F378 PolarHBondContact O-N 3.43Å; N376-F378 VanDerWaalsContact O-N 3.13Å; F378-C384 WeakPolarHBondContact CB-O 3.39Å; F378-Y385 VanDerWaalsContact CD1-C 3.48Å; F378-Q386 CarbonylContact C-O 3.51Å; F378-Q386 WeakPolarHBondContact CA-O 3.39Å; F378-L387 HydrophobicContact CD1-CD2 3.95Å; F378-L387 HydrophobicContact CD1-CG 4.24Å; F378-L387 HydrophobicContact CE1-CD2 3.55Å; F378-L387 HydrophobicContact CE1-CG 3.83Å; F378-L387 HydrophobicContact CZ-CD2 4.01Å
379C82.2Confident73.8Confident4 Ų446.8 Ų46.83%0.02723%0.23CC..  trans-67.7145.8-179.4158.50000112M350 W361 A381 C384 Q386 V388 R1084M350-C379 HydrophobicContact CE-CB 4.2Å; W361-C379 HydrophobicContact CH2-CB 3.97Å; C379-A381 PolarHBondContact O-N 3.38Å; C379-C384 WeakPolarHBondContact CB-SG 3.45Å; C379-C384 WeakPolarHBondContact O-CB 3.36Å; C379-C384 PolarHBondContact O-SG 2.91Å; C379-Q386 HydrophobicContact CB-CB 3.86Å; C379-Q386 HydrophobicContact CB-CG 3.77Å; C379-Q386 PolarHBondContact N-O 2.9Å; C379-V388 HydrophobicContact CB-CG2 4.24Å; C379-R1084 PolarHBondContact SG-NE 3.03Å; C379-R1084 PolarHBondContact SG-NH2 3.06Å
380P82.1Confident73.4Confident28 Ų2848 Ų4818%0.18224%0.237CC..SBendtrans-66.86.2-168.9-22.731.9000118.9I336 F356 W361 F364I336-P380 HydrophobicContact CD1-CB 3.79Å; I336-P380 HydrophobicContact CD1-CG 4.39Å; F356-P380 HydrophobicContact CD2-CB 4.11Å; F356-P380 HydrophobicContact CD2-CG 4.08Å; F356-P380 HydrophobicContact CE2-CB 3.77Å; F356-P380 HydrophobicContact CE2-CG 4.11Å; F356-P380 HydrophobicContact CZ-CB 4.3Å; W361-P380 HydrophobicContact CD2-CG 4.44Å; W361-P380 HydrophobicContact CE3-CG 4.03Å; W361-P380 HydrophobicContact CH2-CG 4.24Å; W361-P380 HydrophobicContact CZ3-CG 3.93Å; F364-P380 HydrophobicContact CB-CG 4.25Å; F364-P380 HydrophobicContact CD1-CG 3.65Å; F364-P380 HydrophobicContact CD2-CB 4.18Å; F364-P380 HydrophobicContact CD2-CG 4.05Å; F364-P380 HydrophobicContact CE1-CG 3.91Å; F364-P380 HydrophobicContact CE2-CB 4.3Å; F364-P380 HydrophobicContact CE2-CG 4.28Å; F364-P380 HydrophobicContact CG-CB 4.32Å; F364-P380 HydrophobicContact CG-CG 3.72Å; F364-P380 HydrophobicContact CZ-CG 4.21Å
381A79.4Confident72.9Confident23 Ų2349.7 Ų49.719%0.1925%0.245CC..SBendtrans-77.4173.9175.100000110.4H354 F356 C379 C384H354-A381 VanDerWaalsContact ND1-CB 3.3Å; H354-A381 WeakPolarHBondContact ND1-CB 3.36Å; F356-A381 HydrophobicContact CZ-CB 4.1Å; C379-A381 PolarHBondContact O-N 3.38Å; A381-C384 VanDerWaalsContact C-CB 3.46Å; A381-C384 HydrophobicContact CB-CB 3.81Å; A381-C384 WeakPolarHBondContact O-CB 3.49Å
382Y75.6Confident72.7Confident95 Ų9545.8 Ų45.837%0.37323%0.228SC..THydrogen-bonded Turntrans-77.8159178.8-153.7174.8000109.6C384 S1085 D1086 Y1087 A1088 S1089Y382-C384 VanDerWaalsContact O-CA 3.3Å; Y382-C384 WeakPolarHBondContact O-CA 3.4Å; Y382-C384 VanDerWaalsContact O-CB 3.22Å; Y382-C384 WeakPolarHBondContact O-CB 3.18Å; Y382-C384 PolarHBondContact O-N 2.99Å; Y382-S1085 WeakPolarHBondContact O-CB 3.45Å; Y382-D1086 PolarHBondContact N-OD1 2.85Å; Y382-D1086 WeakPolarHBondContact O-CA 3.44Å; Y382-D1086 PolarHBondContact O-N 2.78Å; Y382-Y1087 VanDerWaalsContact CB-CD2 3.43Å; Y382-Y1087 AromaticContact CD1-CD1 3.58Å; Y382-Y1087 HydrophobicContact CD1-CD1 3.58Å; Y382-Y1087 AromaticContact CD1-CD2 3.63Å; Y382-Y1087 HydrophobicContact CD1-CD2 3.63Å; Y382-Y1087 AromaticContact CD1-CE1 3.87Å; Y382-Y1087 HydrophobicContact CD1-CE1 3.87Å; Y382-Y1087 AromaticContact CD1-CE2 3.94Å; Y382-Y1087 HydrophobicContact CD1-CE2 3.94Å; Y382-Y1087 AromaticContact CD1-CG 3.43Å; Y382-Y1087 HydrophobicContact CD1-CG 3.43Å; Y382-Y1087 VanDerWaalsContact CD1-CG 3.43Å; Y382-Y1087 HydrophobicContact CE1-CD1 4.05Å; Y382-Y1087 HydrophobicContact CE1-CG 4.1Å; Y382-Y1087 AromaticContact CG-CD2 3.94Å; Y382-Y1087 HydrophobicContact CG-CD2 3.94Å; Y382-Y1087 HydrophobicContact CG-CE2 4.25Å; Y382-Y1087 HydrophobicContact CG-CG 4.14Å; Y382-A1088 HydrophobicContact CE1-CB 3.82Å; Y382-A1088 WeakPolarHBondContact OH-CA 3.2Å; Y382-S1089 PolarHBondContact OH-N 3.47Å; Y382-S1089 VanDerWaalsContact OH-N 3.16Å
383D74.9Confident73.3Confident59 Ų5944.6 Ų44.632%0.31622%0.216SC..THydrogen-bonded Turntrans30.834-168.3-60.98.2000115.7Y385 S1085D383-Y385 HydrophobicContact CB-CE2 4.3Å; D383-Y385 WeakPolarHBondContact O-CD2 3.45Å; D383-Y385 WeakPolarHBondContact O-CE2 3.48Å; D383-Y385 PolarHBondContact O-N 2.98Å; D383-Y385 VanDerWaalsContact O-N 3.07Å; D383-S1085 VanDerWaalsContact O-CA 3.28Å; D383-S1085 WeakPolarHBondContact O-CA 3.33Å
384C76.6Confident74.1Confident10 Ų1043.6 Ų43.67%0.06821%0.212CC..  trans-91.275.5-153.3-1780000114.9F378 C379 A381 Y382 Q386 R1084F378-C384 WeakPolarHBondContact CB-O 3.39Å; C379-C384 WeakPolarHBondContact CB-SG 3.45Å; C379-C384 WeakPolarHBondContact O-CB 3.36Å; C379-C384 PolarHBondContact O-SG 2.91Å; A381-C384 VanDerWaalsContact C-CB 3.46Å; A381-C384 HydrophobicContact CB-CB 3.81Å; A381-C384 WeakPolarHBondContact O-CB 3.49Å; Y382-C384 VanDerWaalsContact O-CA 3.3Å; Y382-C384 WeakPolarHBondContact O-CA 3.4Å; Y382-C384 VanDerWaalsContact O-CB 3.22Å; Y382-C384 WeakPolarHBondContact O-CB 3.18Å; Y382-C384 PolarHBondContact O-N 2.99Å; C384-Q386 PolarHBondContact O-N 3.45Å; C384-R1084 VanDerWaalsContact SG-CD 3.53Å; C384-R1084 VanDerWaalsContact SG-CG 3.56Å
385Y70.9Confident74.9Confident127 Ų12746.6 Ų46.650%0.49823%0.233SC..  trans-65.817.2-175.8-44.8-57.1000116.9F378 D383 L387F378-Y385 VanDerWaalsContact CD1-C 3.48Å; D383-Y385 HydrophobicContact CB-CE2 4.3Å; D383-Y385 WeakPolarHBondContact O-CD2 3.45Å; D383-Y385 WeakPolarHBondContact O-CE2 3.48Å; D383-Y385 PolarHBondContact O-N 2.98Å; D383-Y385 VanDerWaalsContact O-N 3.07Å; Y385-L387 PolarHBondContact O-N 3.39Å
386Q69.3Low76Confident0 Ų043.3 Ų43.30%022%0.217CC..  trans-74.6107.6169.8164.98454.700109.2M350 S351 C352 F378 C379 C384 V388 S1082 P1083 R1084M350-Q386 HydrophobicContact CE-CG 3.3Å; S351-Q386 PolarHBondContact OG-NE2 2.94Å; S351-Q386 PolarHBondContact OG-OE1 3.06Å; C352-Q386 PolarHBondContact SG-OE1 2.96Å; F378-Q386 CarbonylContact C-O 3.51Å; F378-Q386 WeakPolarHBondContact CA-O 3.39Å; C379-Q386 HydrophobicContact CB-CB 3.86Å; C379-Q386 HydrophobicContact CB-CG 3.77Å; C379-Q386 PolarHBondContact N-O 2.9Å; C384-Q386 PolarHBondContact O-N 3.45Å; Q386-V388 PolarHBondContact O-N 3Å; Q386-S1082 PolarHBondContact NE2-O 3.38Å; Q386-S1082 PolarHBondContact NE2-OG 3.31Å; Q386-S1082 VanDerWaalsContact OE1-C 3.31Å; Q386-S1082 PolarHBondContact OE1-O 3.24Å; Q386-P1083 VanDerWaalsContact OE1-CB 3.27Å; Q386-R1084 HydrophobicContact CB-CB 4.48Å; Q386-R1084 HydrophobicContact CB-CG 3.62Å; Q386-R1084 HydrophobicContact CG-CG 4.49Å
387L73Confident76.7Confident13 Ų1340.9 Ų40.97%0.06821%0.205CC..BIsolated β-bridgetrans-59.7132.4161.6-64164.1000109.2A258 N376 I377 F378 Y385 S1082A258-L387 HydrophobicContact CB-CD1 3.85Å; N376-L387 HydrophobicContact CB-CD2 3.73Å; N376-L387 WeakPolarHBondContact OD1-CD2 3.39Å; I377-L387 CarbonylContact O-C 3.31Å; I377-L387 WeakPolarHBondContact O-CA 3.34Å; F378-L387 HydrophobicContact CD1-CD2 3.95Å; F378-L387 HydrophobicContact CD1-CG 4.24Å; F378-L387 HydrophobicContact CE1-CD2 3.55Å; F378-L387 HydrophobicContact CE1-CG 3.83Å; F378-L387 HydrophobicContact CZ-CD2 4.01Å; Y385-L387 PolarHBondContact O-N 3.39Å; L387-S1082 WeakPolarHBondContact CB-OG 3.38Å; L387-S1082 WeakPolarHBondContact O-CB 3.46Å; L387-S1082 PolarHBondContact O-OG 3.14Å
388V75.2Confident77Confident7 Ų742.8 Ų42.84%0.04222%0.219CC..PPolyproline II helixtrans-78.2134.7-178.7-1780000109.7M350 W361 I377 C379 Q386 V392 I393M350-V388 HydrophobicContact CE-CG2 4.41Å; M350-V388 HydrophobicContact SD-CG1 4.39Å; W361-V388 HydrophobicContact CH2-CG1 4.49Å; W361-V388 HydrophobicContact CH2-CG2 4.06Å; W361-V388 HydrophobicContact CZ3-CG1 4.1Å; W361-V388 HydrophobicContact CZ3-CG2 3.79Å; I377-V388 HydrophobicContact CG2-CB 4.44Å; I377-V388 HydrophobicContact CG2-CG2 4.12Å; I377-V388 WeakPolarHBondContact O-CG2 3.32Å; I377-V388 PolarHBondContact O-N 3.1Å; C379-V388 HydrophobicContact CB-CG2 4.24Å; Q386-V388 PolarHBondContact O-N 3Å; V388-V392 HydrophobicContact CG1-CB 4.08Å; V388-V392 HydrophobicContact CG1-CG1 3.7Å; V388-I393 HydrophobicContact CB-CD1 4.4Å; V388-I393 HydrophobicContact CB-CG1 4.41Å; V388-I393 HydrophobicContact CG1-CD1 4.38Å; V388-I393 HydrophobicContact CG1-CG1 3.86Å
389P70.7Confident77Confident15 Ų1549.5 Ų49.510%0.09724%0.242CC..PPolyproline II helixtrans-59.6144179.1-20.429.8000112.3F254 M350 E391 V392 I393F254-P389 HydrophobicContact CZ-CB 4.19Å; F254-P389 HydrophobicContact CZ-CG 3.76Å; M350-P389 HydrophobicContact SD-CG 4.3Å; P389-E391 VanDerWaalsContact C-N 3.26Å; P389-E391 PolarHBondContact O-N 3.06Å; P389-V392 HydrophobicContact CB-CB 4.09Å; P389-V392 HydrophobicContact CB-CG2 3.97Å; P389-V392 HydrophobicContact CG-CB 4.2Å; P389-V392 HydrophobicContact CG-CG2 3.8Å; P389-V392 WeakPolarHBondContact O-CB 3.45Å; P389-V392 PolarHBondContact O-N 3.03Å; P389-V392 VanDerWaalsContact O-N 3.11Å; P389-I393 WeakPolarHBondContact O-CG1 3.26Å; P389-I393 PolarHBondContact O-N 2.79Å
390V73.4Confident76.9Confident27 Ų2755.8 Ų55.816%0.16427%0.271CS..Hα-helixtrans-58.2-42.3173.8-179.70000110.6E257 V392 I393 E394 Y405E257-V390 WeakPolarHBondContact OE2-CG2 3.2Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 2.65Å; V390-I393 PolarHBondContact O-N 2.71Å; V390-I393 VanDerWaalsContact O-N 3.13Å; V390-E394 HydrophobicContact CG1-CG 4.37Å; V390-E394 PolarHBondContact O-N 3.39Å; V390-Y405 HydrophobicContact CG1-CE1 4.21Å; V390-Y405 HydrophobicContact CG2-CE1 4.33Å
391E71.8Confident76.8Confident159 Ų15955.2 Ų55.274%0.74327%0.266SS*.Hα-helixtrans-59.4-38.4176.9-57.9-171.517200112.4P389 S395P389-E391 VanDerWaalsContact C-N 3.26Å; P389-E391 PolarHBondContact O-N 3.06Å; E391-S395 VanDerWaalsContact O-CB 3.24Å; E391-S395 WeakPolarHBondContact O-CB 3.3Å; E391-S395 PolarHBondContact O-N 3.47Å; E391-S395 PolarHBondContact O-OG 3.26Å
392V76.3Confident76.7Confident17 Ų1755.7 Ų55.710%0.10327%0.265CS..Hα-helixtrans-66.9-44.1175.7165.60000110.4V348 M350 V388 P389 V390 S395 V396V348-V392 HydrophobicContact CG1-CG1 3.48Å; V348-V392 VanDerWaalsContact CG1-CG1 3.48Å; V348-V392 HydrophobicContact CG1-CG2 4.31Å; M350-V392 HydrophobicContact SD-CG1 4.17Å; M350-V392 HydrophobicContact SD-CG2 4.14Å; V388-V392 HydrophobicContact CG1-CB 4.08Å; V388-V392 HydrophobicContact CG1-CG1 3.7Å; P389-V392 HydrophobicContact CB-CB 4.09Å; P389-V392 HydrophobicContact CB-CG2 3.97Å; P389-V392 HydrophobicContact CG-CB 4.2Å; P389-V392 HydrophobicContact CG-CG2 3.8Å; P389-V392 WeakPolarHBondContact O-CB 3.45Å; P389-V392 PolarHBondContact O-N 3.03Å; P389-V392 VanDerWaalsContact O-N 3.11Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 2.65Å; V392-S395 PolarHBondContact O-N 2.63Å; V392-S395 PolarHBondContact O-OG 3.11Å; V392-V396 HydrophobicContact CG1-CG2 4.44Å; V392-V396 WeakPolarHBondContact O-CB 3.36Å; V392-V396 WeakPolarHBondContact O-CG2 3.44Å; V392-V396 PolarHBondContact O-N 3.45Å; V392-V396 VanDerWaalsContact O-N 3.09Å
393I79.3Confident76.9Confident0 Ų057.9 Ų57.90%027%0.273CS..Hα-helixtrans-60.1-53.2176.7-62.4167.7000110L365 I369 I377 V388 P389 V390 S395 V396 V397 Y405L365-I393 HydrophobicContact CD1-CG1 4.36Å; L365-I393 HydrophobicContact CD2-CG1 4.23Å; I369-I393 HydrophobicContact CD1-CG2 4.23Å; I377-I393 HydrophobicContact CD1-CD1 4.26Å; V388-I393 HydrophobicContact CB-CD1 4.4Å; V388-I393 HydrophobicContact CB-CG1 4.41Å; V388-I393 HydrophobicContact CG1-CD1 4.38Å; V388-I393 HydrophobicContact CG1-CG1 3.86Å; P389-I393 WeakPolarHBondContact O-CG1 3.26Å; P389-I393 PolarHBondContact O-N 2.79Å; V390-I393 PolarHBondContact O-N 2.71Å; V390-I393 VanDerWaalsContact O-N 3.13Å; I393-S395 VanDerWaalsContact C-N 3.25Å; I393-S395 PolarHBondContact O-N 3.28Å; I393-V396 PolarHBondContact O-N 2.91Å; I393-V397 HydrophobicContact CG2-CG1 4.32Å; I393-V397 HydrophobicContact CG2-CG2 4.25Å; I393-V397 WeakPolarHBondContact O-CG2 3.44Å; I393-V397 PolarHBondContact O-N 2.94Å; I393-Y405 HydrophobicContact CD1-CD2 4.21Å; I393-Y405 HydrophobicContact CD1-CE1 4Å; I393-Y405 HydrophobicContact CD1-CE2 3.65Å; I393-Y405 HydrophobicContact CG2-CD1 4.05Å; I393-Y405 HydrophobicContact CG2-CD2 4.4Å; I393-Y405 HydrophobicContact CG2-CE1 4.48Å; I393-Y405 HydrophobicContact CG2-CG 4.03Å
394E79.4Confident77.1Confident104 Ų10459.5 Ų59.549%0.48628%0.275SS..Hα-helixtrans-55.8-37.5176.6-72.9-167.9-176.400112.6V390V390-E394 HydrophobicContact CG1-CG 4.37Å; V390-E394 PolarHBondContact O-N 3.39Å
395S80.3Confident77.2Confident64 Ų6459.3 Ų59.345%0.44827%0.273SS..Hα-helixtrans-75.6-24.2-178.779.20000114.5R358 E391 V392 I393R358-S395 PolarHBondContact NH1-O 3.05Å; R358-S395 PolarHBondContact NH2-O 3.23Å; E391-S395 VanDerWaalsContact O-CB 3.24Å; E391-S395 WeakPolarHBondContact O-CB 3.3Å; E391-S395 PolarHBondContact O-N 3.47Å; E391-S395 PolarHBondContact O-OG 3.26Å; V392-S395 PolarHBondContact O-N 2.63Å; V392-S395 PolarHBondContact O-OG 3.11Å; I393-S395 VanDerWaalsContact C-N 3.25Å; I393-S395 PolarHBondContact O-N 3.28Å
396V82.4Confident77.5Confident3 Ų354 Ų542%0.01825%0.253CS..Hα-helixtrans-98.9-48.2-173.7171.30000112.2V348 R358 W361 E362 L365 V392 I393V348-V396 HydrophobicContact CG1-CG2 4.4Å; V348-V396 HydrophobicContact CG2-CG2 3.87Å; R358-V396 PolarHBondContact NH2-O 3.25Å; W361-V396 HydrophobicContact CB-CG1 3.98Å; E362-V396 HydrophobicContact CB-CG1 3.96Å; L365-V396 HydrophobicContact CD1-CB 4.07Å; L365-V396 HydrophobicContact CD1-CG1 3.97Å; V392-V396 HydrophobicContact CG1-CG2 4.44Å; V392-V396 WeakPolarHBondContact O-CB 3.36Å; V392-V396 WeakPolarHBondContact O-CG2 3.44Å; V392-V396 PolarHBondContact O-N 3.45Å; V392-V396 VanDerWaalsContact O-N 3.09Å; I393-V396 PolarHBondContact O-N 2.91Å
397V82.1Confident78Confident13 Ų1358.7 Ų58.78%0.07927%0.274CS..SBendtrans-82.9161.3-167.9-50.80000113.2L365 I369 I393 M401 D402L365-V397 HydrophobicContact CB-CG1 3.5Å; L365-V397 HydrophobicContact CD1-CG1 3.79Å; L365-V397 HydrophobicContact CG-CG1 4.3Å; I369-V397 HydrophobicContact CD1-CG1 4.21Å; I393-V397 HydrophobicContact CG2-CG1 4.32Å; I393-V397 HydrophobicContact CG2-CG2 4.25Å; I393-V397 WeakPolarHBondContact O-CG2 3.44Å; I393-V397 PolarHBondContact O-N 2.94Å; V397-M401 HydrophobicContact CB-CB 4.16Å; V397-M401 HydrophobicContact CG2-CB 4.05Å; V397-D402 HydrophobicContact CG2-CB 3.89Å
398S82.7Confident78.3Confident48 Ų4860.8 Ų60.834%0.33628%0.283SS..  trans-63.1146.917171.70000111.8E400 M401 D402S398-E400 PolarHBondContact O-N 3.33Å; S398-M401 PolarHBondContact O-N 3.49Å; S398-D402 PolarHBondContact O-N 2.8Å
399R79.6Confident78.4Confident223 Ų22360.6 Ų60.684%0.84228%0.282SS*.Hα-helixtrans-56.3-19-179.6-52.5-174.684.4179.69.3114.2R403R399-R403 PolarHBondContact O-N 3.49Å
400E80.8Confident78.9Confident137 Ų13760.3 Ų60.364%0.6428%0.28SS*.Hα-helixtrans-81.5-33174-67.6-172.2-166.200113.2S398 R404S398-E400 PolarHBondContact O-N 3.33Å; E400-R404 WeakPolarHBondContact O-CG 3.35Å; E400-R404 PolarHBondContact O-N 2.64Å
401M79.9Confident79.3Confident15 Ų1562.7 Ų62.77%0.07429%0.288CS..Hα-helixtrans-79.1-39.2174.4-67.8-28.195.300110.9N366 I369 V397 S398 R403 R404 Y405N366-M401 HydrophobicContact CB-CG 4.41Å; N366-M401 WeakPolarHBondContact OD1-CG 3.48Å; I369-M401 HydrophobicContact CD1-CB 4.27Å; I369-M401 HydrophobicContact CG2-CB 4.22Å; V397-M401 HydrophobicContact CB-CB 4.16Å; V397-M401 HydrophobicContact CG2-CB 4.05Å; S398-M401 PolarHBondContact O-N 3.49Å; M401-R403 VanDerWaalsContact C-N 3.31Å; M401-R403 PolarHBondContact O-N 2.71Å; M401-R404 VanDerWaalsContact CE-NH2 3.27Å; M401-R404 CarbonylContact O-C 3.49Å; M401-R404 WeakPolarHBondContact O-CA 3.43Å; M401-R404 WeakPolarHBondContact O-CB 3.25Å; M401-R404 PolarHBondContact O-N 3.46Å; M401-Y405 PolarHBondContact O-N 2.7Å
402D77.3Confident79.6Confident33 Ų3355.4 Ų55.418%0.17625%0.254CS..Hα-helixtrans-49.5-52.6168.5156.249.6000110.8V397 S398 R404 Y405 L406V397-D402 HydrophobicContact CG2-CB 3.89Å; S398-D402 PolarHBondContact O-N 2.8Å; D402-R404 PolarHBondContact O-N 3.24Å; D402-R404 VanDerWaalsContact O-N 3.12Å; D402-Y405 WeakPolarHBondContact O-CB 3.4Å; D402-Y405 PolarHBondContact O-N 3.19Å; D402-L406 WeakPolarHBondContact O-CG 3.24Å; D402-L406 PolarHBondContact O-N 2.89Å; D402-L406 WeakPolarHBondContact OD1-CD1 3.49Å; D402-L406 WeakPolarHBondContact OD1-CG 3.2Å
403R78.6Confident79.9Confident141 Ų14154.8 Ų54.853%0.53225%0.251SS..Hα-helixtrans-57.6-31.2177.4-161.1179.281.794.62.7113.6R399 M401 Q407 E429R399-R403 PolarHBondContact O-N 3.49Å; M401-R403 VanDerWaalsContact C-N 3.31Å; M401-R403 PolarHBondContact O-N 2.71Å; R403-Q407 WeakPolarHBondContact O-CB 3.34Å; R403-Q407 PolarHBondContact O-N 2.76Å; R403-E429 IonicContact CZ-OE1 3.46Å; R403-E429 IonicContact NH1-OE1 3.54Å; R403-E429 PolarHBondContact NH1-OE1 3.33Å
404R79Confident80.2Confident94 Ų9454.9 Ų54.936%0.35525%0.251SS..Hα-helixtrans-76-44.1173.5-64.3176.9-155.7-177.86.3111.8I369 E400 M401 D402 L406 Q407 F408I369-R404 HydrophobicContact CG2-CB 3.76Å; E400-R404 WeakPolarHBondContact O-CG 3.35Å; E400-R404 PolarHBondContact O-N 2.64Å; M401-R404 VanDerWaalsContact CE-NH2 3.27Å; M401-R404 CarbonylContact O-C 3.49Å; M401-R404 WeakPolarHBondContact O-CA 3.43Å; M401-R404 WeakPolarHBondContact O-CB 3.25Å; M401-R404 PolarHBondContact O-N 3.46Å; D402-R404 PolarHBondContact O-N 3.24Å; D402-R404 VanDerWaalsContact O-N 3.12Å; R404-L406 PolarHBondContact O-N 2.85Å; R404-Q407 CarbonylContact O-C 3.58Å; R404-Q407 WeakPolarHBondContact O-CA 3.5Å; R404-Q407 WeakPolarHBondContact O-CB 2.95Å; R404-Q407 PolarHBondContact O-N 2.79Å; R404-F408 HydrophobicContact CB-CD2 4.5Å; R404-F408 HydrophobicContact CB-CE2 4.23Å; R404-F408 WeakPolarHBondContact O-CD2 3.42Å; R404-F408 PolarHBondContact O-N 2.7Å
405Y79.8Confident80.3Confident6 Ų654.9 Ų54.92%0.02425%0.251CS..Hα-helixtrans-55.8-51.9175.8175-100.1000110.7I369 A374 I377 V390 I393 M401 D402 Q407 F408 D409I369-Y405 HydrophobicContact CG1-CD2 4.31Å; A374-Y405 HydrophobicContact CB-CD2 3.97Å; A374-Y405 HydrophobicContact CB-CE2 4.34Å; A374-Y405 WeakPolarHBondContact O-CE2 3.49Å; I377-Y405 HydrophobicContact CD1-CD2 3.85Å; I377-Y405 HydrophobicContact CD1-CE2 3.8Å; I377-Y405 HydrophobicContact CG1-CE2 4.43Å; V390-Y405 HydrophobicContact CG1-CE1 4.21Å; V390-Y405 HydrophobicContact CG2-CE1 4.33Å; I393-Y405 HydrophobicContact CD1-CD2 4.21Å; I393-Y405 HydrophobicContact CD1-CE1 4Å; I393-Y405 HydrophobicContact CD1-CE2 3.65Å; I393-Y405 HydrophobicContact CG2-CD1 4.05Å; I393-Y405 HydrophobicContact CG2-CD2 4.4Å; I393-Y405 HydrophobicContact CG2-CE1 4.48Å; I393-Y405 HydrophobicContact CG2-CG 4.03Å; M401-Y405 PolarHBondContact O-N 2.7Å; D402-Y405 WeakPolarHBondContact O-CB 3.4Å; D402-Y405 PolarHBondContact O-N 3.19Å; Y405-Q407 PolarHBondContact O-N 3.46Å; Y405-F408 PolarHBondContact O-N 3.3Å; Y405-D409 PolarHBondContact O-N 3.18Å
406L77.9Confident80.3Confident15 Ų1555.4 Ų55.48%0.07925%0.249CC..Hα-helixtrans-63.7-25.6175.4-63.7177.6000113.1D402 R404 I410D402-L406 WeakPolarHBondContact O-CG 3.24Å; D402-L406 PolarHBondContact O-N 2.89Å; D402-L406 WeakPolarHBondContact OD1-CD1 3.49Å; D402-L406 WeakPolarHBondContact OD1-CG 3.2Å; R404-L406 PolarHBondContact O-N 2.85Å; L406-I410 VanDerWaalsContact O-CD1 3.23Å; L406-I410 WeakPolarHBondContact O-CD1 3.21Å; L406-I410 WeakPolarHBondContact O-CG1 3.48Å; L406-I410 PolarHBondContact O-N 3.38Å
407Q78.4Confident80.2Confident98 Ų9856.9 Ų56.946%0.45826%0.257SS..Hα-helixtrans-72.7-39.9172.2-174.81773.900111.5R403 R404 Y405 K411R403-Q407 WeakPolarHBondContact O-CB 3.34Å; R403-Q407 PolarHBondContact O-N 2.76Å; R404-Q407 CarbonylContact O-C 3.58Å; R404-Q407 WeakPolarHBondContact O-CA 3.5Å; R404-Q407 WeakPolarHBondContact O-CB 2.95Å; R404-Q407 PolarHBondContact O-N 2.79Å; Y405-Q407 PolarHBondContact O-N 3.46Å; Q407-K411 VanDerWaalsContact O-CB 3.24Å; Q407-K411 WeakPolarHBondContact O-CB 3.04Å; Q407-K411 PolarHBondContact O-N 2.83Å
408F79.6Confident79.9Confident57 Ų5761.4 Ų61.425%0.2529%0.286CS..Hα-helixtrans-72.1-39.3176.2-67.4-59.6000112.9I369 A374 R404 Y405 K411 A412I369-F408 WeakPolarHBondContact O-CE2 3.42Å; A374-F408 HydrophobicContact CB-CB 3.72Å; A374-F408 HydrophobicContact CB-CD2 3.88Å; A374-F408 HydrophobicContact CB-CG 4.09Å; R404-F408 HydrophobicContact CB-CD2 4.5Å; R404-F408 HydrophobicContact CB-CE2 4.23Å; R404-F408 WeakPolarHBondContact O-CD2 3.42Å; R404-F408 PolarHBondContact O-N 2.7Å; Y405-F408 PolarHBondContact O-N 3.3Å; F408-K411 WeakPolarHBondContact O-CB 3.38Å; F408-K411 PolarHBondContact O-N 2.73Å; F408-K411 VanDerWaalsContact O-N 3.15Å; F408-A412 PolarHBondContact O-N 3.38Å
409D77.6Confident79.8Confident4 Ų461.9 Ų61.92%0.02129%0.287CS..Hα-helixtrans-60.6-46.6175.8-179.573000111.6K238 R261 Y405 K411 A412 F413K238-D409 WeakPolarHBondContact CD-OD2 3.36Å; K238-D409 IonicContact NZ-OD2 3.74Å; K238-D409 PolarHBondContact NZ-OD2 2.89Å; R261-D409 IonicContact CZ-OD1 2.69Å; R261-D409 VanDerWaalsContact CZ-OD1 3.29Å; R261-D409 IonicContact NE-OD1 3.53Å; R261-D409 PolarHBondContact NE-OD1 3.45Å; R261-D409 IonicContact NH2-OD1 3.29Å; R261-D409 PolarHBondContact NH2-OD1 2.87Å; R261-D409 IonicContact NH2-OD2 3.67Å; Y405-D409 PolarHBondContact O-N 3.18Å; D409-K411 VanDerWaalsContact C-N 3.33Å; D409-K411 PolarHBondContact O-N 3.1Å; D409-A412 PolarHBondContact O-N 2.82Å; D409-F413 PolarHBondContact O-N 3.29Å
410I80.9Confident80.1Confident9 Ų951.5 Ų51.55%0.04625%0.248CC..Hα-helixtrans-69-32.8174.2-59.4165.4000111.1L234 R235 L406 F413 V414 W422L234-I410 HydrophobicContact CB-CG2 3.85Å; L234-I410 HydrophobicContact CD1-CG2 3.94Å; L234-I410 HydrophobicContact CG-CG2 4.49Å; R235-I410 HydrophobicContact CG-CD1 3.61Å; R235-I410 HydrophobicContact CG-CG1 4.33Å; L406-I410 VanDerWaalsContact O-CD1 3.23Å; L406-I410 WeakPolarHBondContact O-CD1 3.21Å; L406-I410 WeakPolarHBondContact O-CG1 3.48Å; L406-I410 PolarHBondContact O-N 3.38Å; I410-F413 PolarHBondContact O-N 2.96Å; I410-V414 HydrophobicContact CG2-CG2 4.39Å; I410-V414 WeakPolarHBondContact O-CG2 3.15Å; I410-V414 PolarHBondContact O-N 3.44Å; I410-W422 HydrophobicContact CG2-CH2 3.85Å; I410-W422 HydrophobicContact CG2-CZ2 4Å
411K81.2Confident80.4Confident77 Ų7746.4 Ų46.434%0.33522%0.224SC..Hα-helixtrans-60.1-48175.1-175.7178.1-177.8-75.70111Q407 F408 D409 V414 E415Q407-K411 VanDerWaalsContact O-CB 3.24Å; Q407-K411 WeakPolarHBondContact O-CB 3.04Å; Q407-K411 PolarHBondContact O-N 2.83Å; F408-K411 WeakPolarHBondContact O-CB 3.38Å; F408-K411 PolarHBondContact O-N 2.73Å; F408-K411 VanDerWaalsContact O-N 3.15Å; D409-K411 VanDerWaalsContact C-N 3.33Å; D409-K411 PolarHBondContact O-N 3.1Å; K411-V414 PolarHBondContact O-N 3.29Å; K411-E415 WeakPolarHBondContact CE-OE1 3.28Å; K411-E415 HydrophobicContact CG-CG 4.23Å; K411-E415 WeakPolarHBondContact CG-OE2 3.37Å; K411-E415 IonicContact NZ-OE1 2.7Å; K411-E415 PolarHBondContact NZ-OE1 2.98Å; K411-E415 IonicContact NZ-OE2 2.71Å; K411-E415 PolarHBondContact NZ-OE2 3.09Å; K411-E415 WeakPolarHBondContact O-CB 3.47Å; K411-E415 WeakPolarHBondContact O-CG 3.47Å; K411-E415 PolarHBondContact O-N 3.05Å
412A78.9Confident80.8Confident5 Ų548.7 Ų48.74%0.04123%0.232CC..Hα-helixtrans-57.5-51175.700000111.9F408 D409 V414 E415 N416F408-A412 PolarHBondContact O-N 3.38Å; D409-A412 PolarHBondContact O-N 2.82Å; A412-V414 VanDerWaalsContact C-N 3.25Å; A412-V414 PolarHBondContact O-N 2.65Å; A412-E415 PolarHBondContact O-N 3.21Å; A412-N416 PolarHBondContact O-N 3.28Å
413F83.3Confident81.3Confident5 Ų547.6 Ų47.62%0.02223%0.227CC..Hα-helixtrans-56.7-35.3178.5167.7-106.4000113.5L237 K238 L241 W265 D409 I410 N417L237-F413 HydrophobicContact CB-CE1 4.32Å; L237-F413 HydrophobicContact CB-CZ 4.13Å; K238-F413 HydrophobicContact CB-CD1 4.24Å; K238-F413 HydrophobicContact CB-CD2 4.34Å; K238-F413 HydrophobicContact CB-CE1 4.23Å; K238-F413 HydrophobicContact CB-CE2 4.32Å; K238-F413 HydrophobicContact CB-CG 4.3Å; K238-F413 HydrophobicContact CB-CZ 4.27Å; K238-F413 HydrophobicContact CG-CD2 4.08Å; K238-F413 HydrophobicContact CG-CE2 4.44Å; K238-F413 HydrophobicContact CG-CG 4.14Å; L241-F413 HydrophobicContact CB-CE2 4.5Å; L241-F413 HydrophobicContact CD2-CD2 4.31Å; L241-F413 HydrophobicContact CD2-CE2 3.73Å; W265-F413 HydrophobicContact CB-CD2 4.39Å; W265-F413 HydrophobicContact CD2-CB 4.18Å; W265-F413 HydrophobicContact CD2-CD2 4.07Å; W265-F413 AromaticContact CE3-CD2 3.98Å; W265-F413 HydrophobicContact CE3-CD2 3.98Å; W265-F413 HydrophobicContact CG-CB 4.27Å; W265-F413 HydrophobicContact CG-CD2 4.25Å; D409-F413 PolarHBondContact O-N 3.29Å; I410-F413 PolarHBondContact O-N 2.96Å; F413-N417 WeakPolarHBondContact O-CB 3.22Å
414V84.1Confident81.7Confident2 Ų244.1 Ų44.11%0.01222%0.223CC..Hα-helixtrans-85.9-39.4178.9172.10000112.7L234 I410 K411 A412 N416 N417 I420 W422 A431L234-V414 HydrophobicContact CD1-CG2 4.17Å; L234-V414 HydrophobicContact CD2-CG2 3.74Å; I410-V414 HydrophobicContact CG2-CG2 4.39Å; I410-V414 WeakPolarHBondContact O-CG2 3.15Å; I410-V414 PolarHBondContact O-N 3.44Å; K411-V414 PolarHBondContact O-N 3.29Å; A412-V414 VanDerWaalsContact C-N 3.25Å; A412-V414 PolarHBondContact O-N 2.65Å; V414-N416 VanDerWaalsContact C-N 3.25Å; V414-N416 PolarHBondContact O-N 3.1Å; V414-N417 PolarHBondContact O-N 3.18Å; V414-N417 VanDerWaalsContact O-N 3.14Å; V414-I420 HydrophobicContact CG1-CB 4.37Å; V414-I420 HydrophobicContact CG1-CG2 3.86Å; V414-I420 HydrophobicContact CG2-CG2 4.17Å; V414-W422 HydrophobicContact CB-CD2 4.48Å; V414-W422 HydrophobicContact CB-CZ2 3.74Å; V414-W422 HydrophobicContact CG1-CD2 4Å; V414-W422 HydrophobicContact CG1-CG 3.99Å; V414-W422 HydrophobicContact CG1-CZ2 4.16Å; V414-W422 HydrophobicContact CG2-CH2 4.31Å; V414-W422 HydrophobicContact CG2-CZ2 3.72Å; V414-A431 HydrophobicContact CG1-CB 4.27Å
415E81.5Confident82Confident103 Ų10342.8 Ų42.848%0.48123%0.225SC..Hα-helixtrans-66.6-29-178-76.1-178.3152.700112.9K411 A412K411-E415 WeakPolarHBondContact CE-OE1 3.28Å; K411-E415 HydrophobicContact CG-CG 4.23Å; K411-E415 WeakPolarHBondContact CG-OE2 3.37Å; K411-E415 IonicContact NZ-OE1 2.7Å; K411-E415 PolarHBondContact NZ-OE1 2.98Å; K411-E415 IonicContact NZ-OE2 2.71Å; K411-E415 PolarHBondContact NZ-OE2 3.09Å; K411-E415 WeakPolarHBondContact O-CB 3.47Å; K411-E415 WeakPolarHBondContact O-CG 3.47Å; K411-E415 PolarHBondContact O-N 3.05Å; A412-E415 PolarHBondContact O-N 3.21Å
416N80.1Confident82.1Confident75 Ų7547.4 Ų47.440%0.40126%0.264SS..THydrogen-bonded Turntrans-86.2-6.3176.2-62.4-6.7000113.5D264 A412 V414D264-N416 VanDerWaalsContact C-ND2 3.29Å; D264-N416 WeakPolarHBondContact CA-ND2 3.4Å; D264-N416 WeakPolarHBondContact CB-ND2 3.28Å; D264-N416 WeakPolarHBondContact O-CB 3.39Å; D264-N416 PolarHBondContact O-ND2 3Å; A412-N416 PolarHBondContact O-N 3.28Å; V414-N416 VanDerWaalsContact C-N 3.25Å; V414-N416 PolarHBondContact O-N 3.1Å
417N80.9Confident82.2Confident35 Ų3550.3 Ų50.319%0.18730%0.298CS..  trans-97.1114.4-175.4-170.6-39000111.8F413 V414 V419 I420F413-N417 WeakPolarHBondContact O-CB 3.22Å; V414-N417 PolarHBondContact O-N 3.18Å; V414-N417 VanDerWaalsContact O-N 3.14Å; N417-V419 PolarHBondContact O-N 3.41Å; N417-V419 WeakPolarHBondContact OD1-CG2 3.47Å; N417-V419 PolarHBondContact OD1-N 2.91Å; N417-I420 HydrophobicContact CB-CB 4.36Å; N417-I420 PolarHBondContact O-N 2.9Å
418P76.1Confident82.5Confident107 Ų10746.2 Ų46.270%0.69528%0.28SS*.THydrogen-bonded Turntrans-69.2-17.3-174.727.9-35.4000114.4
419V80.3Confident82.6Confident59 Ų5947.4 Ų47.436%0.35829%0.286SS..THydrogen-bonded Turntrans-103.12.7-179.9-58.90000114N417 R433 L434N417-V419 PolarHBondContact O-N 3.41Å; N417-V419 WeakPolarHBondContact OD1-CG2 3.47Å; N417-V419 PolarHBondContact OD1-N 2.91Å; V419-R433 VanDerWaalsContact O-CA 3.32Å; V419-R433 WeakPolarHBondContact O-CA 3.37Å; V419-L434 PolarHBondContact O-N 2.93Å; V419-L434 VanDerWaalsContact O-N 3.15Å
420I86.8Confident83Confident5 Ų549.7 Ų49.73%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-129.1128177.3-50.4-178000110L229 L234 L237 V414 N417 A431 V432 R433L229-I420 HydrophobicContact CD1-CD1 4.22Å; L229-I420 HydrophobicContact CD1-CG2 4.25Å; L234-I420 HydrophobicContact CD2-CG2 4.1Å; L237-I420 HydrophobicContact CD1-CD1 4.37Å; V414-I420 HydrophobicContact CG1-CB 4.37Å; V414-I420 HydrophobicContact CG1-CG2 3.86Å; V414-I420 HydrophobicContact CG2-CG2 4.17Å; N417-I420 HydrophobicContact CB-CB 4.36Å; N417-I420 PolarHBondContact O-N 2.9Å; I420-A431 HydrophobicContact CG2-CB 3.7Å; I420-V432 CarbonylContact C-O 3.5Å; I420-V432 VanDerWaalsContact CA-O 3.29Å; I420-V432 WeakPolarHBondContact CA-O 3.5Å; I420-R433 HydrophobicContact CG1-CB 4.27Å; I420-R433 HydrophobicContact CG1-CG 4.34Å
421H86.1Confident83.3Confident29 Ų2949.3 Ų49.313%0.13429%0.293CS..EExtended strand (participates in β ladder)trans-129.2140.4179.2-74.62.4000112.4A431 V432 W467 R470H421-A431 CarbonylContact O-C 3.57Å; H421-A431 VanDerWaalsContact O-CA 3.24Å; H421-A431 WeakPolarHBondContact O-CA 3.32Å; H421-A431 WeakPolarHBondContact O-CB 3.37Å; H421-V432 PolarHBondContact N-O 3.07Å; H421-V432 PolarHBondContact O-N 3.29Å; H421-W467 HydrophobicContact CB-CE3 4.43Å; H421-W467 HydrophobicContact CB-CH2 3.89Å; H421-W467 HydrophobicContact CB-CZ3 3.85Å; H421-W467 AromaticContact CD2-CE2 3.82Å; H421-W467 AromaticContact CD2-CZ2 3.74Å; H421-W467 AromaticContact CG-CH2 3.74Å; H421-W467 AromaticContact CG-CZ2 3.9Å; H421-W467 AromaticContact NE2-CZ2 3.97Å; H421-R470 PolarHBondContact CD2-NH2 2.84Å; H421-R470 PolarHBondContact CE1-NH2 3.39Å; H421-R470 PolarHBondContact ND1-NH2 3.29Å; H421-R470 PolarHBondContact NE2-NH2 2.99Å
422W87.5Confident83.6Confident63 Ų6345.6 Ų45.624%0.23928%0.277CS..EExtended strand (participates in β ladder)trans-64.4144.8175.6-74.6114.4000112.7L234 I410 V414 A431L234-W422 HydrophobicContact CD1-CH2 3.61Å; L234-W422 HydrophobicContact CD1-CZ2 4.46Å; L234-W422 HydrophobicContact CD1-CZ3 3.86Å; I410-W422 HydrophobicContact CG2-CH2 3.85Å; I410-W422 HydrophobicContact CG2-CZ2 4Å; V414-W422 HydrophobicContact CB-CD2 4.48Å; V414-W422 HydrophobicContact CB-CZ2 3.74Å; V414-W422 HydrophobicContact CG1-CD2 4Å; V414-W422 HydrophobicContact CG1-CG 3.99Å; V414-W422 HydrophobicContact CG1-CZ2 4.16Å; V414-W422 HydrophobicContact CG2-CH2 4.31Å; V414-W422 HydrophobicContact CG2-CZ2 3.72Å; W422-A431 HydrophobicContact CD2-CB 4.47Å; W422-A431 HydrophobicContact CE3-CB 4.04Å; W422-A431 HydrophobicContact CZ3-CB 4.24Å
423C88.4Confident83.9Confident10 Ų1049.5 Ų49.57%0.06829%0.29CS..  trans-65127.6167.5-175.90000109.7V425 C428 R430 C459 F465C423-V425 PolarHBondContact O-N 2.92Å; C423-C428 HydrophobicContact CB-CB 4.04Å; C423-R430 WeakPolarHBondContact CB-O 3.44Å; C423-R430 PolarHBondContact N-O 2.92Å; C423-C459 HydrophobicContact CB-CB 3.94Å; C423-F465 HydrophobicContact CB-CE1 4.31Å
424P86.8Confident83.8Confident69 Ų6950.3 Ų50.345%0.44830%0.295SS..  trans-74.3-4.2-176.630.8-37.2000113.9A426 F465 R470P424-A426 PolarHBondContact O-N 3.39Å; P424-F465 VanDerWaalsContact CD-CG 3.4Å; P424-F465 HydrophobicContact CG-CB 3.63Å; P424-F465 HydrophobicContact CG-CD1 4.24Å; P424-F465 HydrophobicContact CG-CD2 4.02Å; P424-F465 HydrophobicContact CG-CG 3.73Å; P424-R470 WeakPolarHBondContact CB-O 3.46Å; P424-R470 WeakPolarHBondContact CG-O 3.29Å
425V84.8Confident83.2Confident65 Ų6553.9 Ų53.939%0.39431%0.314SS..SBendtrans-77.9118.3179.9-179.80000110.1C423 G427 C428 H463C423-V425 PolarHBondContact O-N 2.92Å; V425-G427 PolarHBondContact O-N 3.3Å; V425-C428 HydrophobicContact CB-CB 4.12Å; V425-C428 WeakPolarHBondContact O-CB 3.26Å; V425-C428 PolarHBondContact O-N 3.5Å; V425-H463 HydrophobicContact CG2-CB 4.02Å
426A82.4Confident82Confident103 Ų10352.1 Ų52.185%0.85132%0.317SS*.THydrogen-bonded Turntrans-52.3131.2177.800000112.2P424 C428P424-A426 PolarHBondContact O-N 3.39Å; A426-C428 VanDerWaalsContact C-N 3.31Å
427G80.6Confident80.6Confident77 Ų7755.3 Ų55.379%0.79433%0.329SS*.THydrogen-bonded Turntrans79.52.8-174.600000115.2V425 E429V425-G427 PolarHBondContact O-N 3.3Å; G427-E429 PolarHBondContact O-N 3.24Å
428C83.9Confident78.4Confident11 Ų1156.7 Ų56.77%0.07435%0.346CS..  trans-90.194.6172.4-161.90000111.5C423 V425 A426 R430 C459 H463C423-C428 HydrophobicContact CB-CB 4.04Å; V425-C428 HydrophobicContact CB-CB 4.12Å; V425-C428 WeakPolarHBondContact O-CB 3.26Å; V425-C428 PolarHBondContact O-N 3.5Å; A426-C428 VanDerWaalsContact C-N 3.31Å; C428-R430 PolarHBondContact O-N 2.92Å; C428-C459 VanDerWaalsContact SG-SG 3.65Å; C428-H463 PolarHBondContact SG-ND1 2.82Å; C428-H463 VanDerWaalsContact SG-ND1 3.42Å
429E82.7Confident76.3Confident83 Ų8358.7 Ų58.739%0.38836%0.358SS..  trans-68.635.1173.9-56.9175.1-17900113.3P231 R403 G427P231-E429 WeakPolarHBondContact CD-O 3.4Å; P231-E429 HydrophobicContact CG-CB 3.98Å; P231-E429 WeakPolarHBondContact CG-O 3.37Å; R403-E429 IonicContact CZ-OE1 3.46Å; R403-E429 IonicContact NH1-OE1 3.54Å; R403-E429 PolarHBondContact NH1-OE1 3.33Å; G427-E429 PolarHBondContact O-N 3.24Å
430R85.9Confident74.2Confident52 Ų5259 Ų5920%0.19637%0.374CS..  trans-124149.5-179.1-68.7-158.8-178.4-175.58.6112.4L229 C423 C428 C459 G460L229-R430 WeakPolarHBondContact O-CB 3.45Å; C423-R430 WeakPolarHBondContact CB-O 3.44Å; C423-R430 PolarHBondContact N-O 2.92Å; C428-R430 PolarHBondContact O-N 2.92Å; R430-C459 HydrophobicContact CB-CB 3.83Å; R430-C459 WeakPolarHBondContact CD-O 3.38Å; R430-C459 PolarHBondContact NH1-O 2.64Å; R430-G460 PolarHBondContact NH1-O 3.45Å
431A87.2Confident71.7Confident0 Ų064 Ų640%041%0.405CS..EExtended strand (participates in β ladder)trans-117.6169.1173.600000110.8L229 L234 V414 I420 H421 W422L229-A431 PolarHBondContact N-O 3.3Å; L229-A431 PolarHBondContact O-N 3.37Å; L234-A431 HydrophobicContact CD1-CB 3.92Å; L234-A431 HydrophobicContact CD2-CB 4.16Å; V414-A431 HydrophobicContact CG1-CB 4.27Å; I420-A431 HydrophobicContact CG2-CB 3.7Å; H421-A431 CarbonylContact O-C 3.57Å; H421-A431 VanDerWaalsContact O-CA 3.24Å; H421-A431 WeakPolarHBondContact O-CA 3.32Å; H421-A431 WeakPolarHBondContact O-CB 3.37Å; W422-A431 HydrophobicContact CD2-CB 4.47Å; W422-A431 HydrophobicContact CE3-CB 4.04Å; W422-A431 HydrophobicContact CZ3-CB 4.24Å
432V87.6Confident69.3Low0 Ų068.3 Ų68.30%044%0.438CS..EExtended strand (participates in β ladder)trans-119135.3170.8175.10000108.4Y226 E227 I420 H421 V457 D458 C459 F465 W467Y226-V432 HydrophobicContact CD2-CG1 4.29Å; Y226-V432 HydrophobicContact CG-CG1 4.42Å; E227-V432 WeakPolarHBondContact O-CA 3.34Å; I420-V432 CarbonylContact C-O 3.5Å; I420-V432 VanDerWaalsContact CA-O 3.29Å; I420-V432 WeakPolarHBondContact CA-O 3.5Å; H421-V432 PolarHBondContact N-O 3.07Å; H421-V432 PolarHBondContact O-N 3.29Å; V432-V457 HydrophobicContact CB-CG2 4.27Å; V432-V457 HydrophobicContact CG1-CB 3.87Å; V432-V457 HydrophobicContact CG1-CG1 4.19Å; V432-V457 HydrophobicContact CG1-CG2 4.02Å; V432-V457 HydrophobicContact CG2-CB 4.33Å; V432-V457 HydrophobicContact CG2-CG2 4.05Å; V432-D458 WeakPolarHBondContact CG2-O 3.47Å; V432-C459 HydrophobicContact CG2-CB 4.1Å; V432-F465 HydrophobicContact CB-CZ 4.22Å; V432-F465 HydrophobicContact CG2-CE1 3.76Å; V432-F465 HydrophobicContact CG2-CZ 3.73Å; V432-W467 HydrophobicContact CB-CZ3 4.16Å; V432-W467 HydrophobicContact CG1-CE3 4.42Å; V432-W467 HydrophobicContact CG1-CZ3 3.96Å
433R85.4Confident66.7Low86 Ų8672.7 Ų72.733%0.32547%0.467SS..EExtended strand (participates in β ladder)trans-98129.3162.2179.7-177.9-174.7164.15.8109.6Y226 E227 L229 V419 I420Y226-R433 CarbonylContact C-O 3.39Å; Y226-R433 VanDerWaalsContact CA-O 3.28Å; Y226-R433 WeakPolarHBondContact CA-O 3.49Å; E227-R433 HydrophobicContact CB-CB 4.48Å; E227-R433 PolarHBondContact N-O 2.97Å; E227-R433 PolarHBondContact O-N 3.48Å; L229-R433 HydrophobicContact CD1-CB 3.83Å; L229-R433 HydrophobicContact CG-CB 4.41Å; V419-R433 VanDerWaalsContact O-CA 3.32Å; V419-R433 WeakPolarHBondContact O-CA 3.37Å; I420-R433 HydrophobicContact CG1-CB 4.27Å; I420-R433 HydrophobicContact CG1-CG 4.34Å
434L80.3Confident64.2Low22 Ų2276.3 Ų76.312%0.11550%0.497CS..EExtended strand (participates in β ladder)trans-93.7122.4171.2-174.665.5000109.3V419 A436 W467V419-L434 PolarHBondContact O-N 2.93Å; V419-L434 VanDerWaalsContact O-N 3.15Å; L434-A436 PolarHBondContact O-N 2.84Å; L434-W467 HydrophobicContact CB-CD2 4.19Å; L434-W467 HydrophobicContact CB-CE3 4.1Å; L434-W467 HydrophobicContact CB-CH2 3.76Å; L434-W467 HydrophobicContact CB-CZ2 3.84Å; L434-W467 HydrophobicContact CB-CZ3 3.89Å; L434-W467 HydrophobicContact CD2-CD2 4.02Å; L434-W467 HydrophobicContact CD2-CG 4.16Å; L434-W467 HydrophobicContact CD2-CZ2 4.45Å
435N71.4Confident61.8Low77 Ų7778.3 Ų78.341%0.41250%0.504SS..  trans-85.268.1179.5-72.9-27000110.4L225 Q437L225-N435 PolarHBondContact O-N 3.07Å; N435-Q437 PolarHBondContact O-N 3.13Å
436A56.3Low59.7Low66 Ų6681.1 Ų81.155%0.54552%0.524SS..PPolyproline II helixtrans-58.8126.6170.500000110.2L434 A438L434-A436 PolarHBondContact O-N 2.84Å; A436-A438 PolarHBondContact O-N 3.35Å
437Q51Low57.8Low142 Ų14282.7 Ų82.766%0.66452%0.517SS*.PPolyproline II helixtrans-62.8123.9171.4-70.8-177.2-39.600109N435N435-Q437 PolarHBondContact O-N 3.13Å
438A34Very low56Low65 Ų6581.5 Ų81.554%0.53750%0.496SS..PPolyproline II helixtrans-60.6130.9179.500000110.2A436 G440A436-A438 PolarHBondContact O-N 3.35Å; A438-G440 PolarHBondContact O-N 3.25Å
439P34Very low54.5Low148 Ų14885.9 Ų85.996%0.96151%0.514SS*.THydrogen-bonded Turntrans-66.224.4-175.2-24.935.7000117.5
440G34.9Very low53.3Low67 Ų6785.1 Ų85.169%0.69152%0.517SS*.THydrogen-bonded Turntrans-135.8-10.8-17300000116.8A438 S442A438-G440 PolarHBondContact O-N 3.25Å; G440-S442 PolarHBondContact O-N 3.31Å
441T33.8Very low52.1Low110 Ų11087 Ų8768%0.67553%0.53SS*.  trans-82.999.1177.746.50000111.1N443T441-N443 PolarHBondContact O-N 3.05Å
442S35.6Very low51.1Low119 Ų11988.3 Ų88.383%0.83254%0.537SS*.  trans-70.916.5-17349.20000116.7G440G440-S442 PolarHBondContact O-N 3.31Å
443N34.2Very low50Low155 Ų15598.3 Ų98.383%0.82958%0.575SS**  trans-105.582.1165.5-77.4-16.7000108.8T441 D445T441-N443 PolarHBondContact O-N 3.05Å; N443-D445 PolarHBondContact O-N 3.28Å
444A35.1Very low49.3Very low86 Ų8694.4 Ų94.471%0.71156%0.561SS**  trans-70107.5168.800000109
445D37.7Very low49.3Very low111 Ų11194 Ų9459%0.59456%0.559SS**  trans-61.7127.5173.4-136.8-23.1000108.5N443 L447 S448N443-D445 PolarHBondContact O-N 3.28Å; D445-L447 PolarHBondContact O-N 3.38Å; D445-S448 PolarHBondContact O-N 3.06Å; D445-S448 VanDerWaalsContact O-N 3.07Å; D445-S448 PolarHBondContact O-OG 3.29Å
446P40.3Very low49.9Very low124 Ų12491.1 Ų91.181%0.80555%0.546SS*.THydrogen-bonded Turntrans-63.48.6-175.4-2535.4000116.2
447L42.1Very low51.3Low136 Ų13688 Ų8871%0.71252%0.52SS*.THydrogen-bonded Turntrans-124.74.5-176.2-59.5175.2000112.7D445 F449D445-L447 PolarHBondContact O-N 3.38Å; L447-F449 WeakPolarHBondContact O-CD2 3.24Å; L447-F449 PolarHBondContact O-N 3.24Å; L447-F449 VanDerWaalsContact O-N 3.16Å
448S42.6Very low52.9Low51 Ų5182 Ų8236%0.35749%0.493SS..  trans-69.8108.8175.160.70000110.9D445D445-S448 PolarHBondContact O-N 3.06Å; D445-S448 VanDerWaalsContact O-N 3.07Å; D445-S448 PolarHBondContact O-OG 3.29Å
449F52.3Low55.2Low104 Ų10479 Ų7946%0.45647%0.468SS..PPolyproline II helixtrans-65.2132.2-179.3-67-90.7000111.5L447 L451 A727L447-F449 WeakPolarHBondContact O-CD2 3.24Å; L447-F449 PolarHBondContact O-N 3.24Å; L447-F449 VanDerWaalsContact O-N 3.16Å; F449-L451 PolarHBondContact O-N 3.36Å; F449-A727 HydrophobicContact CD1-CB 4.04Å; F449-A727 HydrophobicContact CE1-CB 4.48Å
450P56.9Low57.3Low67 Ų6773.9 Ų73.944%0.43544%0.442SS..PPolyproline II helixtrans-67.2124.3171.927.8-32.7000109.8A730 R731P450-A730 HydrophobicContact CG-CB 4.27Å; P450-A730 WeakPolarHBondContact O-CB 3.27Å; P450-R731 HydrophobicContact CG-CG 3.92Å
451L60.3Low59.1Low90 Ų9076.1 Ų76.147%0.47143%0.433SS..PPolyproline II helixtrans-67.1144.2176.1-75.9168.5000111.3L225 F449L225-L451 HydrophobicContact CD1-CD2 3.64Å; L225-L451 HydrophobicContact CD1-CG 4.24Å; F449-L451 PolarHBondContact O-N 3.36Å
452L67.1Low61.1Low28 Ų2872.1 Ų72.115%0.14741%0.414CS..PPolyproline II helixtrans-65.4155162.1-71.2170.1000109.9A454 P455 E475 L726 V729 A730L452-A454 PolarHBondContact O-N 3.1Å; L452-P455 WeakPolarHBondContact O-CD 3.12Å; L452-E475 HydrophobicContact CD1-CB 4.34Å; L452-E475 HydrophobicContact CD1-CG 3.96Å; L452-L726 HydrophobicContact CD1-CB 4.31Å; L452-L726 HydrophobicContact CD1-CD2 3.84Å; L452-V729 HydrophobicContact CD2-CB 4.28Å; L452-V729 HydrophobicContact CD2-CG1 3.84Å; L452-A730 HydrophobicContact CD2-CB 3.76Å; L452-A730 HydrophobicContact CG-CB 4.17Å
453R65.1Low63.3Low210 Ų21069.1 Ų69.179%0.79239%0.387SS*.SBendtrans-62.2-24.5177.6-94.9-177.7166.5-161.7-5.8114.3D478R453-D478 VanDerWaalsContact CB-OD1 3.32Å; R453-D478 WeakPolarHBondContact CB-OD1 3.22Å
454A70.4Confident65.8Low4 Ų462.9 Ų62.93%0.03335%0.353CS..SBendtrans-135.666.5-174.300000110.8L452 C479L452-A454 PolarHBondContact O-N 3.1Å; A454-C479 VanDerWaalsContact CB-SG 3.57Å
455P80.3Confident68.4Low14 Ų1459 Ų599%0.09132%0.32CS..  trans-68.3148.8-168.428.2-33.8000112.5L452 W467 E475L452-P455 WeakPolarHBondContact O-CD 3.12Å; P455-W467 HydrophobicContact CG-CB 3.93Å; P455-W467 PolarHBondContact O-N 3.42Å; P455-E475 VanDerWaalsContact CA-OE1 3.29Å; P455-E475 WeakPolarHBondContact CA-OE1 3.2Å
456A84.9Confident70.9Confident16 Ų1653.7 Ų53.713%0.13229%0.292CS..EExtended strand (participates in β ladder)trans-86.5135.1172.400000110.9Y226 A473 E475Y226-A456 WeakPolarHBondContact CE1-O 3.5Å; A456-A473 HydrophobicContact CB-CB 3.75Å; A456-E475 VanDerWaalsContact CB-CD 3.45Å; A456-E475 HydrophobicContact CB-CG 3.87Å; A456-E475 WeakPolarHBondContact CB-OE2 3.37Å; A456-E475 VanDerWaalsContact N-CD 3.26Å; A456-E475 PolarHBondContact N-OE1 3.28Å
457V84.3Confident73.1Confident0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-133.8146.2178.8-61.20000111.9Y226 V432 L464 F465 W467Y226-V457 HydrophobicContact CD1-CB 4.19Å; Y226-V457 HydrophobicContact CD1-CG1 3.77Å; Y226-V457 HydrophobicContact CD2-CB 4.08Å; Y226-V457 HydrophobicContact CD2-CG1 4.39Å; Y226-V457 HydrophobicContact CE1-CB 4.49Å; Y226-V457 HydrophobicContact CE1-CG1 4.39Å; Y226-V457 HydrophobicContact CE2-CB 4.4Å; Y226-V457 HydrophobicContact CG-CB 3.97Å; Y226-V457 HydrophobicContact CG-CG1 3.76Å; V432-V457 HydrophobicContact CB-CG2 4.27Å; V432-V457 HydrophobicContact CG1-CB 3.87Å; V432-V457 HydrophobicContact CG1-CG1 4.19Å; V432-V457 HydrophobicContact CG1-CG2 4.02Å; V432-V457 HydrophobicContact CG2-CB 4.33Å; V432-V457 HydrophobicContact CG2-CG2 4.05Å; V457-L464 CarbonylContact O-C 3.04Å; V457-L464 VanDerWaalsContact O-CA 3.26Å; V457-L464 WeakPolarHBondContact O-CA 3.23Å; V457-F465 HydrophobicContact CG2-CD1 4.16Å; V457-F465 HydrophobicContact CG2-CD2 4.08Å; V457-F465 HydrophobicContact CG2-CE1 3.83Å; V457-F465 HydrophobicContact CG2-CE2 3.74Å; V457-F465 HydrophobicContact CG2-CG 4.28Å; V457-F465 HydrophobicContact CG2-CZ 3.61Å; V457-F465 PolarHBondContact N-O 2.82Å; V457-F465 PolarHBondContact O-N 3.01Å; V457-W467 HydrophobicContact CG1-CE3 4.29Å; V457-W467 HydrophobicContact CG2-CE3 4.16Å
458D84.6Confident75.1Confident18 Ų1848.7 Ų48.710%0.09625%0.253CS..EExtended strand (participates in β ladder)trans-109.5140.5169.6-179.321.9000111.1Y226 V432 G460 K461 G462 H463 L464Y226-D458 HydrophobicContact CE2-CB 4.05Å; Y226-D458 WeakPolarHBondContact CE2-O 3.26Å; V432-D458 WeakPolarHBondContact CG2-O 3.47Å; D458-G460 PolarHBondContact O-N 3.49Å; D458-G460 PolarHBondContact OD1-N 2.82Å; D458-G460 VanDerWaalsContact OD1-N 3.12Å; D458-G460 WeakPolarHBondContact OD2-CA 3.28Å; D458-G460 PolarHBondContact OD2-N 3.49Å; D458-K461 PolarHBondContact OD1-N 3.39Å; D458-K461 VanDerWaalsContact OD1-N 3.16Å; D458-K461 PolarHBondContact OD2-N 3.01Å; D458-G462 VanDerWaalsContact CG-N 3.29Å; D458-G462 PolarHBondContact OD1-N 3.45Å; D458-G462 WeakPolarHBondContact OD2-CA 3.43Å; D458-G462 PolarHBondContact OD2-N 3.18Å; D458-H463 PolarHBondContact OD1-N 3.03Å; D458-L464 HydrophobicContact CB-CD2 3.94Å; D458-L464 HydrophobicContact CB-CG 4.03Å
459C83.6Confident77.2Confident0 Ų048.8 Ų48.80%025%0.253CS..  trans-74.311.9168.773.80000114.3C423 C428 R430 V432C423-C459 HydrophobicContact CB-CB 3.94Å; C428-C459 VanDerWaalsContact SG-SG 3.65Å; R430-C459 HydrophobicContact CB-CB 3.83Å; R430-C459 WeakPolarHBondContact CD-O 3.38Å; R430-C459 PolarHBondContact NH1-O 2.64Å; V432-C459 HydrophobicContact CG2-CB 4.1Å
460G76.8Confident78.8Confident42 Ų4250 Ų5043%0.43326%0.255SS..SBendtrans7232.1-173.900000113.9R430 D458R430-G460 PolarHBondContact NH1-O 3.45Å; D458-G460 PolarHBondContact O-N 3.49Å; D458-G460 PolarHBondContact OD1-N 2.82Å; D458-G460 VanDerWaalsContact OD1-N 3.12Å; D458-G460 WeakPolarHBondContact OD2-CA 3.28Å; D458-G460 PolarHBondContact OD2-N 3.49Å
461K74.3Confident80.1Confident113 Ų11348.4 Ų48.449%0.49125%0.25SC..SBendtrans-130.17.2172-82.5-168.7174.5-177.50112.5D458 H463D458-K461 PolarHBondContact OD1-N 3.39Å; D458-K461 VanDerWaalsContact OD1-N 3.16Å; D458-K461 PolarHBondContact OD2-N 3.01Å; K461-H463 VanDerWaalsContact C-N 3.27Å
462G74.2Confident81.3Confident26 Ų2647.9 Ų47.927%0.26825%0.245SC..SBendtrans75.412.7-167.100000113.8D458 L464D458-G462 VanDerWaalsContact CG-N 3.29Å; D458-G462 PolarHBondContact OD1-N 3.45Å; D458-G462 WeakPolarHBondContact OD2-CA 3.43Å; D458-G462 PolarHBondContact OD2-N 3.18Å; G462-L464 PolarHBondContact O-N 2.92Å
463H82.1Confident82.4Confident57 Ų5746.7 Ų46.726%0.26424%0.239SC..  trans-89.281.1175.5-62.3176.9000109.5V425 C428 D458 K461 F465V425-H463 HydrophobicContact CG2-CB 4.02Å; C428-H463 PolarHBondContact SG-ND1 2.82Å; C428-H463 VanDerWaalsContact SG-ND1 3.42Å; D458-H463 PolarHBondContact OD1-N 3.03Å; K461-H463 VanDerWaalsContact C-N 3.27Å; H463-F465 WeakPolarHBondContact O-CD1 3.48Å
464L86.3Confident83.4Confident24 Ų2436.7 Ų36.713%0.12620%0.201CC..EExtended strand (participates in β ladder)trans-77.4128.3177.1-71140.6000111.4V457 D458 G462 A473 K656 R659V457-L464 CarbonylContact O-C 3.04Å; V457-L464 VanDerWaalsContact O-CA 3.26Å; V457-L464 WeakPolarHBondContact O-CA 3.23Å; D458-L464 HydrophobicContact CB-CD2 3.94Å; D458-L464 HydrophobicContact CB-CG 4.03Å; G462-L464 PolarHBondContact O-N 2.92Å; L464-A473 HydrophobicContact CB-CB 4.38Å; L464-K656 HydrophobicContact CD1-CG 3.63Å; L464-K656 HydrophobicContact CD2-CG 4.49Å; L464-R659 PolarHBondContact O-NH1 3.02Å; L464-R659 PolarHBondContact O-NH2 3.35Å
465F89.5Confident84.3Confident4 Ų437.8 Ų37.82%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-138.8159.9176.764.4-82.1000111.7C423 P424 V432 V457 H463 G471C423-F465 HydrophobicContact CB-CE1 4.31Å; P424-F465 VanDerWaalsContact CD-CG 3.4Å; P424-F465 HydrophobicContact CG-CB 3.63Å; P424-F465 HydrophobicContact CG-CD1 4.24Å; P424-F465 HydrophobicContact CG-CD2 4.02Å; P424-F465 HydrophobicContact CG-CG 3.73Å; V432-F465 HydrophobicContact CB-CZ 4.22Å; V432-F465 HydrophobicContact CG2-CE1 3.76Å; V432-F465 HydrophobicContact CG2-CZ 3.73Å; V457-F465 HydrophobicContact CG2-CD1 4.16Å; V457-F465 HydrophobicContact CG2-CD2 4.08Å; V457-F465 HydrophobicContact CG2-CE1 3.83Å; V457-F465 HydrophobicContact CG2-CE2 3.74Å; V457-F465 HydrophobicContact CG2-CG 4.28Å; V457-F465 HydrophobicContact CG2-CZ 3.61Å; V457-F465 PolarHBondContact N-O 2.82Å; V457-F465 PolarHBondContact O-N 3.01Å; H463-F465 WeakPolarHBondContact O-CD1 3.48Å; F465-G471 WeakPolarHBondContact CB-O 3.42Å
466C90.3Very high84.6Confident0 Ų037.3 Ų37.30%020%0.203CC..EExtended strand (participates in β ladder)trans-77.1129.5175.6178.30000109.6E468 C469 R470 G471 H474C466-E468 PolarHBondContact O-N 3.44Å; C466-C469 VanDerWaalsContact CB-SG 3.53Å; C466-R470 WeakPolarHBondContact O-CA 3.39Å; C466-R470 PolarHBondContact O-N 3.01Å; C466-G471 PolarHBondContact N-O 3.26Å; C466-G471 VanDerWaalsContact N-O 3.09Å; C466-H474 PolarHBondContact SG-NE2 3.08Å
467W86.4Confident84.7Confident26 Ų2636.7 Ų36.710%0.09820%0.197CC..THydrogen-bonded Turntrans-57-47.9177.4-178.4-96.6000112.5H421 V432 L434 P455 V457H421-W467 HydrophobicContact CB-CE3 4.43Å; H421-W467 HydrophobicContact CB-CH2 3.89Å; H421-W467 HydrophobicContact CB-CZ3 3.85Å; H421-W467 AromaticContact CD2-CE2 3.82Å; H421-W467 AromaticContact CD2-CZ2 3.74Å; H421-W467 AromaticContact CG-CH2 3.74Å; H421-W467 AromaticContact CG-CZ2 3.9Å; H421-W467 AromaticContact NE2-CZ2 3.97Å; V432-W467 HydrophobicContact CB-CZ3 4.16Å; V432-W467 HydrophobicContact CG1-CE3 4.42Å; V432-W467 HydrophobicContact CG1-CZ3 3.96Å; L434-W467 HydrophobicContact CB-CD2 4.19Å; L434-W467 HydrophobicContact CB-CE3 4.1Å; L434-W467 HydrophobicContact CB-CH2 3.76Å; L434-W467 HydrophobicContact CB-CZ2 3.84Å; L434-W467 HydrophobicContact CB-CZ3 3.89Å; L434-W467 HydrophobicContact CD2-CD2 4.02Å; L434-W467 HydrophobicContact CD2-CG 4.16Å; L434-W467 HydrophobicContact CD2-CZ2 4.45Å; P455-W467 HydrophobicContact CG-CB 3.93Å; P455-W467 PolarHBondContact O-N 3.42Å; V457-W467 HydrophobicContact CG1-CE3 4.29Å; V457-W467 HydrophobicContact CG2-CE3 4.16Å
468E85.5Confident84.8Confident128 Ų12839.5 Ų39.560%0.59821%0.212SC*.THydrogen-bonded Turntrans-74.3-58.8-171.5-173.866.8-16800112.5C466 R470C466-E468 PolarHBondContact O-N 3.44Å; E468-R470 VanDerWaalsContact C-N 3.34Å; E468-R470 PolarHBondContact O-N 3.06Å
469C86.7Confident85.1Confident53 Ų5339.3 Ų39.336%0.35821%0.212SC..THydrogen-bonded Turntrans-84.3-6.6-17776.70000114.5C466 G471 H474 C479C466-C469 VanDerWaalsContact CB-SG 3.53Å; C469-G471 PolarHBondContact O-N 3.31Å; C469-G471 PolarHBondContact SG-N 2.86Å; C469-H474 PolarHBondContact SG-NE2 3.16Å; C469-H474 VanDerWaalsContact SG-NE2 3.36Å; C469-C479 HydrophobicContact CB-CB 4.31Å
470R85.3Confident85.4Confident131 Ų13144.3 Ų44.349%0.49424%0.239SC..SBendtrans55.59.9-174.8-56.3-179-179.6179.7-1.4115.2H421 P424 C466 E468H421-R470 PolarHBondContact CD2-NH2 2.84Å; H421-R470 PolarHBondContact CE1-NH2 3.39Å; H421-R470 PolarHBondContact ND1-NH2 3.29Å; H421-R470 PolarHBondContact NE2-NH2 2.99Å; P424-R470 WeakPolarHBondContact CB-O 3.46Å; P424-R470 WeakPolarHBondContact CG-O 3.29Å; C466-R470 WeakPolarHBondContact O-CA 3.39Å; C466-R470 PolarHBondContact O-N 3.01Å; E468-R470 VanDerWaalsContact C-N 3.34Å; E468-R470 PolarHBondContact O-N 3.06Å
471G84.3Confident86Confident32 Ų3244 Ų4433%0.3323%0.229SC..SBendtrans-94.3-157.5177.900000113.7F465 C466 C469 A473F465-G471 WeakPolarHBondContact CB-O 3.42Å; C466-G471 PolarHBondContact N-O 3.26Å; C466-G471 VanDerWaalsContact N-O 3.09Å; C469-G471 PolarHBondContact O-N 3.31Å; C469-G471 PolarHBondContact SG-N 2.86Å; G471-A473 PolarHBondContact O-N 3.19Å; G471-A473 VanDerWaalsContact O-N 3.17Å
472E86Confident86.8Confident79 Ų7939.3 Ų39.337%0.36921%0.208SC..BIsolated β-bridgetrans-55.7120.5174.8-164.5-175.7179.800110H474 W482 K662E472-H474 PolarHBondContact O-CD2 2.81Å; E472-H474 PolarHBondContact O-N 3.24Å; E472-W482 HydrophobicContact CB-CZ2 4.49Å; E472-W482 WeakPolarHBondContact OE2-CZ2 3.37Å; E472-K662 IonicContact OE1-NZ 2.63Å; E472-K662 PolarHBondContact OE1-NZ 2.94Å; E472-K662 IonicContact OE2-NZ 2.97Å; E472-K662 PolarHBondContact OE2-NZ 3.34Å
473A89.1Confident87.6Confident3 Ų343.7 Ų43.73%0.02522%0.22CC..  trans-52.6124.6169.700000110.2A456 L464 G471 R659A456-A473 HydrophobicContact CB-CB 3.75Å; L464-A473 HydrophobicContact CB-CB 4.38Å; G471-A473 PolarHBondContact O-N 3.19Å; G471-A473 VanDerWaalsContact O-N 3.17Å; A473-R659 PolarHBondContact O-NE 3.16Å
474H88Confident88Confident1 Ų144.5 Ų44.51%0.00523%0.226CC..  trans-131.216.4-166.454.859.7000113.7C466 C469 E472 C477 C479 W482 C663C466-H474 PolarHBondContact SG-NE2 3.08Å; C469-H474 PolarHBondContact SG-NE2 3.16Å; C469-H474 VanDerWaalsContact SG-NE2 3.36Å; E472-H474 PolarHBondContact O-CD2 2.81Å; E472-H474 PolarHBondContact O-N 3.24Å; H474-C477 PolarHBondContact CE1-O 3.47Å; H474-C477 VanDerWaalsContact CE1-O 3.32Å; H474-C477 PolarHBondContact ND1-O 3.44Å; H474-C477 WeakPolarHBondContact O-CA 3.4Å; H474-C477 VanDerWaalsContact O-CB 3.23Å; H474-C477 WeakPolarHBondContact O-CB 3.35Å; H474-C477 PolarHBondContact O-N 3.34Å; H474-C479 PolarHBondContact CE1-N 2.87Å; H474-C479 PolarHBondContact CE1-SG 3.31Å; H474-C479 PolarHBondContact NE2-SG 3.1Å; H474-C479 VanDerWaalsContact NE2-SG 3.43Å; H474-W482 HydrophobicContact CB-CB 4.14Å; H474-W482 HydrophobicContact CB-CD2 3.5Å; H474-W482 VanDerWaalsContact CB-CD2 3.5Å; H474-W482 HydrophobicContact CB-CE3 3.86Å; H474-W482 HydrophobicContact CB-CG 3.62Å; H474-W482 HydrophobicContact CB-CZ2 4.48Å; H474-W482 HydrophobicContact CB-CZ3 4.48Å; H474-W482 AromaticContact CD2-CD1 3.28Å; H474-W482 AromaticContact CD2-CG 3.59Å; H474-W482 AromaticContact CD2-NE1 3.84Å; H474-W482 AromaticContact CG-CD1 3.77Å; H474-W482 AromaticContact CG-CG 3.61Å; H474-C663 WeakPolarHBondContact O-CB 3.41Å
475E87.8Confident88.1Confident27 Ų2743.4 Ų43.413%0.12622%0.22CC..THydrogen-bonded Turntrans-48.9134.7168.4-69-177.1155.800110.4L452 P455 A456 I660 C663 L726L452-E475 HydrophobicContact CD1-CB 4.34Å; L452-E475 HydrophobicContact CD1-CG 3.96Å; P455-E475 VanDerWaalsContact CA-OE1 3.29Å; P455-E475 WeakPolarHBondContact CA-OE1 3.2Å; A456-E475 VanDerWaalsContact CB-CD 3.45Å; A456-E475 HydrophobicContact CB-CG 3.87Å; A456-E475 WeakPolarHBondContact CB-OE2 3.37Å; A456-E475 VanDerWaalsContact N-CD 3.26Å; A456-E475 PolarHBondContact N-OE1 3.28Å; E475-I660 HydrophobicContact CB-CG1 4.34Å; E475-I660 WeakPolarHBondContact O-CA 3.31Å; E475-C663 WeakPolarHBondContact O-CB 3.37Å; E475-L726 HydrophobicContact CB-CD2 4.04Å
476P87.4Confident88.1Confident4 Ų446.6 Ų46.63%0.02624%0.237CC..THydrogen-bonded Turncis-85.12.59.634.5-36.8000116Y667 F725 L726 V729P476-Y667 HydrophobicContact CG-CG 4.24Å; P476-F725 HydrophobicContact CB-CE1 4.17Å; P476-F725 HydrophobicContact CG-CE1 3.94Å; P476-F725 HydrophobicContact CG-CZ 4.2Å; P476-L726 HydrophobicContact CB-CD2 4.44Å; P476-V729 HydrophobicContact CB-CB 4.45Å; P476-V729 HydrophobicContact CB-CG1 4.04Å; P476-V729 HydrophobicContact CB-CG2 4.07Å
477C86Confident88Confident3 Ų351.6 Ų51.62%0.0226%0.26CS..SBendtrans-70.9141.2-179.9-65.80000113.3H474 T481 W482 C663H474-C477 PolarHBondContact CE1-O 3.47Å; H474-C477 VanDerWaalsContact CE1-O 3.32Å; H474-C477 PolarHBondContact ND1-O 3.44Å; H474-C477 WeakPolarHBondContact O-CA 3.4Å; H474-C477 VanDerWaalsContact O-CB 3.23Å; H474-C477 WeakPolarHBondContact O-CB 3.35Å; H474-C477 PolarHBondContact O-N 3.34Å; C477-T481 WeakPolarHBondContact CB-OG1 3.42Å; C477-W482 HydrophobicContact CB-CB 4.24Å; C477-C663 PolarHBondContact SG-O 2.89Å; C477-C663 VanDerWaalsContact SG-O 3.33Å
478D87.6Confident87.9Confident58 Ų5853.4 Ų53.431%0.3127%0.269SS..  trans-64.2155.9155.8-68.1-57.3000111.3R453 D480 T481 W482R453-D478 VanDerWaalsContact CB-OD1 3.32Å; R453-D478 WeakPolarHBondContact CB-OD1 3.22Å; D478-D480 PolarHBondContact O-N 2.94Å; D478-D480 VanDerWaalsContact O-N 3.13Å; D478-T481 PolarHBondContact N-OG1 2.97Å; D478-T481 PolarHBondContact O-N 3Å; D478-T481 PolarHBondContact O-OG1 2.93Å; D478-W482 PolarHBondContact O-N 3.23Å
479C89.8Confident87.8Confident14 Ų1448.9 Ų48.910%0.09525%0.25CC..Hα-helixtrans-55.4-34-180-61.10000113.6A454 C469 H474 K483A454-C479 VanDerWaalsContact CB-SG 3.57Å; C469-C479 HydrophobicContact CB-CB 4.31Å; H474-C479 PolarHBondContact CE1-N 2.87Å; H474-C479 PolarHBondContact CE1-SG 3.31Å; H474-C479 PolarHBondContact NE2-SG 3.1Å; H474-C479 VanDerWaalsContact NE2-SG 3.43Å; C479-K483 WeakPolarHBondContact O-CG 3.42Å; C479-K483 PolarHBondContact O-N 3.34Å
480D89.4Confident87.5Confident106 Ų10652.2 Ų52.257%0.56727%0.268SS*.Hα-helixtrans-82.1-34.6-175.4-58.3-40.6000112.8D478 W482 K483 L484D478-D480 PolarHBondContact O-N 2.94Å; D478-D480 VanDerWaalsContact O-N 3.13Å; D480-W482 VanDerWaalsContact C-N 3.3Å; D480-K483 PolarHBondContact O-N 2.88Å; D480-K483 IonicContact OD1-NZ 2.87Å; D480-K483 PolarHBondContact OD1-NZ 2.71Å; D480-L484 WeakPolarHBondContact O-CB 3.28Å; D480-L484 PolarHBondContact O-N 3.4Å
481T89.3Confident87.1Confident36 Ų3651.4 Ų51.422%0.22127%0.27CS..Hα-helixtrans-69.4-32.317158.90000111.1C477 D478 W485C477-T481 WeakPolarHBondContact CB-OG1 3.42Å; D478-T481 PolarHBondContact N-OG1 2.97Å; D478-T481 PolarHBondContact O-N 3Å; D478-T481 PolarHBondContact O-OG1 2.93Å; T481-W485 PolarHBondContact O-N 3.1Å
482W91.7Very high86.4Confident13 Ų1353 Ų535%0.04927%0.27CS..Hα-helixtrans-65.7-48.1171.5-177.1-116.4000112.9E472 H474 C477 D478 D480 L484 W485 L486 F606 C663 P666E472-W482 HydrophobicContact CB-CZ2 4.49Å; E472-W482 WeakPolarHBondContact OE2-CZ2 3.37Å; H474-W482 HydrophobicContact CB-CB 4.14Å; H474-W482 HydrophobicContact CB-CD2 3.5Å; H474-W482 VanDerWaalsContact CB-CD2 3.5Å; H474-W482 HydrophobicContact CB-CE3 3.86Å; H474-W482 HydrophobicContact CB-CG 3.62Å; H474-W482 HydrophobicContact CB-CZ2 4.48Å; H474-W482 HydrophobicContact CB-CZ3 4.48Å; H474-W482 AromaticContact CD2-CD1 3.28Å; H474-W482 AromaticContact CD2-CG 3.59Å; H474-W482 AromaticContact CD2-NE1 3.84Å; H474-W482 AromaticContact CG-CD1 3.77Å; H474-W482 AromaticContact CG-CG 3.61Å; C477-W482 HydrophobicContact CB-CB 4.24Å; D478-W482 PolarHBondContact O-N 3.23Å; D480-W482 VanDerWaalsContact C-N 3.3Å; W482-L484 VanDerWaalsContact C-N 3.32Å; W482-L484 PolarHBondContact O-N 3.34Å; W482-W485 WeakPolarHBondContact O-CB 3.37Å; W482-W485 PolarHBondContact O-N 2.86Å; W482-L486 HydrophobicContact CD2-CG 4.49Å; W482-L486 HydrophobicContact CH2-CD2 4.41Å; W482-L486 HydrophobicContact CZ2-CD1 4.23Å; W482-L486 HydrophobicContact CZ2-CD2 4.07Å; W482-L486 HydrophobicContact CZ2-CG 4.32Å; W482-L486 WeakPolarHBondContact O-CG 3.45Å; W482-L486 PolarHBondContact O-N 3.37Å; W482-F606 AromaticContact CH2-CE2 3.74Å; W482-F606 HydrophobicContact CH2-CE2 3.74Å; W482-F606 HydrophobicContact CH2-CZ 4.09Å; W482-F606 AromaticContact CZ3-CE2 3.78Å; W482-F606 HydrophobicContact CZ3-CE2 3.78Å; W482-F606 HydrophobicContact CZ3-CZ 4.47Å; W482-C663 HydrophobicContact CZ3-CB 4.49Å; W482-P666 HydrophobicContact CZ3-CG 4.31Å
483K91.1Very high85Confident119 Ų11954.8 Ų54.852%0.51728%0.277SS..Hα-helixtrans-55.6-46.9172.8-70.7163.3-157.9164.10111.4C479 D480 W485 L486 Q487C479-K483 WeakPolarHBondContact O-CG 3.42Å; C479-K483 PolarHBondContact O-N 3.34Å; D480-K483 PolarHBondContact O-N 2.88Å; D480-K483 IonicContact OD1-NZ 2.87Å; D480-K483 PolarHBondContact OD1-NZ 2.71Å; K483-W485 VanDerWaalsContact C-N 3.32Å; K483-W485 PolarHBondContact O-N 2.79Å; K483-L486 PolarHBondContact O-N 3.02Å; K483-Q487 WeakPolarHBondContact O-CB 3.24Å; K483-Q487 PolarHBondContact O-N 3Å
484L90.5Very high83.5Confident74 Ų7460 Ų6039%0.38731%0.31SS..Hα-helixtrans-65.4-33.4-179.7-172.962.1000112.6D480 W482 K488 F670D480-L484 WeakPolarHBondContact O-CB 3.28Å; D480-L484 PolarHBondContact O-N 3.4Å; W482-L484 VanDerWaalsContact C-N 3.32Å; W482-L484 PolarHBondContact O-N 3.34Å; L484-K488 PolarHBondContact O-N 2.94Å; L484-K488 VanDerWaalsContact O-N 3.11Å; L484-F670 HydrophobicContact CB-CZ 4.1Å; L484-F670 HydrophobicContact CD2-CD1 4.25Å; L484-F670 HydrophobicContact CD2-CE1 3.53Å; L484-F670 HydrophobicContact CD2-CZ 3.74Å; L484-F670 HydrophobicContact CG-CE1 3.95Å; L484-F670 HydrophobicContact CG-CZ 3.68Å
485W89.6Confident81.8Confident0 Ų067.6 Ų67.60%035%0.346CS..Hα-helixtrans-64.9-50.2171-179.1-107.9000111.9T481 W482 K483 Q487 K488 V489 F599 Y603 F606 P666 F669 F670T481-W485 PolarHBondContact O-N 3.1Å; W482-W485 WeakPolarHBondContact O-CB 3.37Å; W482-W485 PolarHBondContact O-N 2.86Å; K483-W485 VanDerWaalsContact C-N 3.32Å; K483-W485 PolarHBondContact O-N 2.79Å; W485-Q487 VanDerWaalsContact C-N 3.29Å; W485-Q487 PolarHBondContact O-N 3.41Å; W485-K488 PolarHBondContact O-N 3.04Å; W485-V489 HydrophobicContact CD2-CG2 4.3Å; W485-V489 HydrophobicContact CZ2-CG2 4.17Å; W485-V489 WeakPolarHBondContact O-CG2 3.21Å; W485-V489 PolarHBondContact O-N 3.19Å; W485-F599 HydrophobicContact CE3-CE2 4.28Å; W485-F599 AromaticContact CH2-CD2 3.95Å; W485-F599 HydrophobicContact CH2-CD2 3.95Å; W485-F599 AromaticContact CH2-CE2 3.63Å; W485-F599 HydrophobicContact CH2-CE2 3.63Å; W485-F599 HydrophobicContact CH2-CZ 4.43Å; W485-F599 HydrophobicContact CZ2-CE2 4.27Å; W485-F599 AromaticContact CZ3-CD2 3.79Å; W485-F599 HydrophobicContact CZ3-CD2 3.79Å; W485-F599 AromaticContact CZ3-CE2 3.64Å; W485-F599 HydrophobicContact CZ3-CE2 3.64Å; W485-Y603 HydrophobicContact CZ2-CD2 4.01Å; W485-F606 HydrophobicContact CZ2-CB 4.16Å; W485-F606 HydrophobicContact CZ2-CD1 4.35Å; W485-F606 HydrophobicContact CZ2-CG 4.11Å; W485-F606 AromaticContact NE1-CD1 3.92Å; W485-F606 AromaticContact NE1-CD2 3.61Å; W485-F606 AromaticContact NE1-CE1 3.82Å; W485-F606 AromaticContact NE1-CE2 3.51Å; W485-F606 AromaticContact NE1-CG 3.83Å; W485-F606 AromaticContact NE1-CZ 3.63Å; W485-P666 HydrophobicContact CB-CB 4.14Å; W485-P666 HydrophobicContact CD2-CB 3.81Å; W485-P666 HydrophobicContact CD2-CG 3.81Å; W485-P666 HydrophobicContact CE3-CB 4.21Å; W485-P666 HydrophobicContact CE3-CG 4.5Å; W485-P666 HydrophobicContact CG-CB 3.74Å; W485-P666 HydrophobicContact CG-CG 3.85Å; W485-P666 HydrophobicContact CZ2-CG 4.29Å; W485-F669 HydrophobicContact CE3-CD1 4.22Å; W485-F669 HydrophobicContact CZ3-CB 4.21Å; W485-F669 AromaticContact CZ3-CD1 3.99Å; W485-F669 HydrophobicContact CZ3-CD1 3.99Å; W485-F669 HydrophobicContact CZ3-CD2 4.39Å; W485-F669 HydrophobicContact CZ3-CE1 4.49Å; W485-F669 AromaticContact CZ3-CG 3.94Å; W485-F669 HydrophobicContact CZ3-CG 3.94Å; W485-F670 HydrophobicContact CB-CE2 4.15Å; W485-F670 HydrophobicContact CE3-CE2 4.37Å
486L88.2Confident80.2Confident72 Ų7272 Ų7238%0.37737%0.366SS..Hα-helixtrans-62.2-37179.4-67.7179000112.2W482 K483 V489 T490W482-L486 HydrophobicContact CD2-CG 4.49Å; W482-L486 HydrophobicContact CH2-CD2 4.41Å; W482-L486 HydrophobicContact CZ2-CD1 4.23Å; W482-L486 HydrophobicContact CZ2-CD2 4.07Å; W482-L486 HydrophobicContact CZ2-CG 4.32Å; W482-L486 WeakPolarHBondContact O-CG 3.45Å; W482-L486 PolarHBondContact O-N 3.37Å; K483-L486 PolarHBondContact O-N 3.02Å; L486-V489 PolarHBondContact O-N 2.9Å; L486-T490 PolarHBondContact O-N 3.33Å; L486-T490 VanDerWaalsContact O-N 3.07Å; L486-T490 PolarHBondContact O-OG1 3.16Å
487Q88.4Confident78.6Confident105 Ų10574.8 Ų74.849%0.49138%0.38SS..Hα-helixtrans-59.3-53.8171.2179.5175.9-12.600111K483 W485 V489 T490 E491K483-Q487 WeakPolarHBondContact O-CB 3.24Å; K483-Q487 PolarHBondContact O-N 3Å; W485-Q487 VanDerWaalsContact C-N 3.29Å; W485-Q487 PolarHBondContact O-N 3.41Å; Q487-V489 VanDerWaalsContact C-N 3.29Å; Q487-V489 PolarHBondContact O-N 3.31Å; Q487-T490 WeakPolarHBondContact O-CA 3.43Å; Q487-T490 WeakPolarHBondContact O-CB 3.34Å; Q487-T490 PolarHBondContact O-N 2.99Å; Q487-E491 HydrophobicContact CG-CG 4.32Å; Q487-E491 VanDerWaalsContact CG-OE1 3.3Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.49Å; Q487-E491 PolarHBondContact NE2-OE1 3.14Å; Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.01Å
488K84.5Confident77.1Confident64 Ų6479.4 Ų79.428%0.27842%0.419SS..Hα-helixtrans-59.4-36.5178-77.6-164.4171.7-1550113.6L484 W485 T490 E491 M492 F599 F669L484-K488 PolarHBondContact O-N 2.94Å; L484-K488 VanDerWaalsContact O-N 3.11Å; W485-K488 PolarHBondContact O-N 3.04Å; K488-T490 VanDerWaalsContact C-N 3.26Å; K488-T490 PolarHBondContact O-N 2.82Å; K488-E491 PolarHBondContact O-N 2.84Å; K488-M492 WeakPolarHBondContact O-CG 3.41Å; K488-M492 PolarHBondContact O-N 3.5Å; K488-F599 HydrophobicContact CB-CE2 4.19Å; K488-F669 HydrophobicContact CD-CE1 4.27Å
489V84Confident75.5Confident33 Ų3378.4 Ų78.420%0.242%0.422CS..Hα-helixtrans-65.8-29.2174.3170.50000112.1W485 L486 Q487 F599 Y603W485-V489 HydrophobicContact CD2-CG2 4.3Å; W485-V489 HydrophobicContact CZ2-CG2 4.17Å; W485-V489 WeakPolarHBondContact O-CG2 3.21Å; W485-V489 PolarHBondContact O-N 3.19Å; L486-V489 PolarHBondContact O-N 2.9Å; Q487-V489 VanDerWaalsContact C-N 3.29Å; Q487-V489 PolarHBondContact O-N 3.31Å; V489-F599 HydrophobicContact CG2-CE2 4.32Å; V489-F599 HydrophobicContact CG2-CZ 4.02Å; V489-Y603 HydrophobicContact CB-CE2 4.49Å; V489-Y603 HydrophobicContact CG1-CE2 3.84Å; V489-Y603 HydrophobicContact CG2-CD2 3.88Å; V489-Y603 HydrophobicContact CG2-CE2 3.86Å
490T79Confident74Confident122 Ų12278.8 Ų78.875%0.74842%0.424SS*.Hα-helixtrans-83.3-31.2177.9-51.70000112.3L486 Q487 K488L486-T490 PolarHBondContact O-N 3.33Å; L486-T490 VanDerWaalsContact O-N 3.07Å; L486-T490 PolarHBondContact O-OG1 3.16Å; Q487-T490 WeakPolarHBondContact O-CA 3.43Å; Q487-T490 WeakPolarHBondContact O-CB 3.34Å; Q487-T490 PolarHBondContact O-N 2.99Å; K488-T490 VanDerWaalsContact C-N 3.26Å; K488-T490 PolarHBondContact O-N 2.82Å
491E78.1Confident72.3Confident115 Ų11577.9 Ų77.954%0.53743%0.426SS..Hα-helixtrans-72.8-29.5177.8-71168.4165.500113.1Q487 K488Q487-E491 HydrophobicContact CG-CG 4.32Å; Q487-E491 VanDerWaalsContact CG-OE1 3.3Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.49Å; Q487-E491 PolarHBondContact NE2-OE1 3.14Å; Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.01Å; K488-E491 PolarHBondContact O-N 2.84Å
492M68.6Low71Confident65 Ų6583.7 Ų83.732%0.3245%0.451SS..  trans-80.9116.9-176.2-72.1-76.8-175.900112.9K488 L596 F599K488-M492 WeakPolarHBondContact O-CG 3.41Å; K488-M492 PolarHBondContact O-N 3.5Å; M492-L596 HydrophobicContact CE-CD1 3.96Å; M492-L596 HydrophobicContact SD-CD1 3.73Å; M492-F599 HydrophobicContact CB-CE1 4.14Å; M492-F599 HydrophobicContact CE-CD1 4.06Å; M492-F599 HydrophobicContact CE-CG 4.2Å; M492-F599 HydrophobicContact CG-CD1 4.11Å; M492-F599 HydrophobicContact CG-CE1 3.66Å; M492-F599 HydrophobicContact CG-CZ 4.02Å; M492-F599 HydrophobicContact SD-CD1 4.33Å; M492-F599 HydrophobicContact SD-CE1 4.42Å
493K57.6Low69.5Low117 Ų11784.7 Ų84.751%0.50946%0.462SS..  trans-84.9136.8179.1-69.9-178.5179.7178.30112.7E495 E496 L497K493-E495 PolarHBondContact O-N 3.39Å; K493-E496 PolarHBondContact O-N 2.96Å; K493-L497 VanDerWaalsContact O-CD1 3.28Å; K493-L497 WeakPolarHBondContact O-CD1 3.49Å
494P56.9Low68Low111 Ų11183.4 Ų83.472%0.72145%0.454SS*.G310 helixtrans-57.2-24.6176.9-26.835.2000115.4E496P494-E496 VanDerWaalsContact C-N 3.31Å; P494-E496 PolarHBondContact O-N 3.13Å
495E52.3Low66.5Low162 Ų16285.7 Ų85.776%0.75746%0.463SS*.G310 helixtrans-70-26.6-175-62.2170.2153.600112.8K493K493-E495 PolarHBondContact O-N 3.39Å
496E54.8Low65.4Low118 Ų11890.8 Ų90.855%0.55149%0.491SS*.G310 helixtrans-83.2-13-176.5-64.5175.5-16600112.7K493 P494 V500K493-E496 PolarHBondContact O-N 2.96Å; P494-E496 VanDerWaalsContact C-N 3.31Å; P494-E496 PolarHBondContact O-N 3.13Å; E496-V500 WeakPolarHBondContact O-CG2 3.39Å
497L53.8Low64.2Low63 Ų6388 Ų8833%0.3348%0.478SS..G310 helixtrans-76.7-21.5-174.2-82.461.6000114.1K493 G499 M600K493-L497 VanDerWaalsContact O-CD1 3.28Å; K493-L497 WeakPolarHBondContact O-CD1 3.49Å; L497-G499 PolarHBondContact O-N 3.06Å; L497-M600 HydrophobicContact CD1-SD 4.44Å; L497-M600 HydrophobicContact CD2-CE 3.59Å; L497-M600 HydrophobicContact CD2-SD 3.68Å; L497-M600 HydrophobicContact CG-CE 4.05Å; L497-M600 HydrophobicContact CG-SD 3.79Å
498A53.5Low62.8Low101 Ų10184.6 Ų84.684%0.83547%0.467SS*.G310 helixtrans-77.1-22-166.200000115
499G54.4Low62.1Low37 Ų3785.8 Ų85.838%0.38148%0.477SS..G310 helixtrans-115.45.7-173.800000115.6L497 S501 E502 A503L497-G499 PolarHBondContact O-N 3.06Å; G499-S501 VanDerWaalsContact C-N 3.34Å; G499-S501 PolarHBondContact O-N 2.81Å; G499-E502 PolarHBondContact O-N 2.75Å; G499-A503 WeakPolarHBondContact O-CB 3.37Å; G499-A503 PolarHBondContact O-N 2.96Å
500V58Low61.2Low22 Ų2287.3 Ų87.313%0.13349%0.488CS..Hα-helixtrans-59.4-39.2-165.6-178.10000113.2E496 Y504 F593 L596E496-V500 WeakPolarHBondContact O-CG2 3.39Å; V500-Y504 VanDerWaalsContact O-CB 3.22Å; V500-Y504 WeakPolarHBondContact O-CB 3.33Å; V500-Y504 PolarHBondContact O-N 2.76Å; V500-F593 HydrophobicContact CG1-CD1 4.31Å; V500-L596 HydrophobicContact CG1-CD2 4.15Å; V500-L596 HydrophobicContact CG1-CG 4.45Å; V500-L596 HydrophobicContact CG2-CD2 3.69Å; V500-L596 HydrophobicContact CG2-CG 4.42Å
501S53.6Low60.6Low87 Ų8783.1 Ų83.161%0.60846%0.461SS*.Hα-helixtrans-69.3-45.5-177.6-164.30000112.8G499 Y504 E505G499-S501 VanDerWaalsContact C-N 3.34Å; G499-S501 PolarHBondContact O-N 2.81Å; S501-Y504 PolarHBondContact O-N 2.96Å; S501-E505 PolarHBondContact O-N 2.93Å; S501-E505 VanDerWaalsContact O-N 3.16Å
502E61.8Low60.1Low157 Ų15784.7 Ų84.773%0.73446%0.462SS*.Hα-helixtrans-67.8-43.4178.9-62.5-177.9164.100110.2G499 Y504 E505 D506G499-E502 PolarHBondContact O-N 2.75Å; E502-Y504 VanDerWaalsContact C-N 3.3Å; E502-Y504 PolarHBondContact O-N 2.71Å; E502-E505 PolarHBondContact O-N 3.41Å; E502-D506 PolarHBondContact O-N 3.45Å
503A61.4Low60Low34 Ų3485 Ų8528%0.28147%0.465SS..Hα-helixtrans-65.5-29.6176.600000113.4G499 A507 F593G499-A503 WeakPolarHBondContact O-CB 3.37Å; G499-A503 PolarHBondContact O-N 2.96Å; A503-A507 WeakPolarHBondContact O-CB 3.26Å; A503-A507 PolarHBondContact O-N 3.23Å; A503-F593 HydrophobicContact CB-CE1 3.86Å; A503-F593 HydrophobicContact CB-CE2 4.22Å; A503-F593 HydrophobicContact CB-CZ 3.59Å
504Y59.1Low60.2Low92 Ų9281.9 Ų81.936%0.36145%0.453SS..Hα-helixtrans-70.2-45.1173.5174.8-96.8000112.1V500 S501 E502 A507 A508 H590 F593 Q594V500-Y504 VanDerWaalsContact O-CB 3.22Å; V500-Y504 WeakPolarHBondContact O-CB 3.33Å; V500-Y504 PolarHBondContact O-N 2.76Å; S501-Y504 PolarHBondContact O-N 2.96Å; E502-Y504 VanDerWaalsContact C-N 3.3Å; E502-Y504 PolarHBondContact O-N 2.71Å; Y504-A507 PolarHBondContact O-N 3Å; Y504-A508 WeakPolarHBondContact O-CB 3.42Å; Y504-A508 PolarHBondContact O-N 3.19Å; Y504-H590 AromaticContact CE2-CE1 3.35Å; Y504-H590 WeakPolarHBondContact CE2-CE1 3.47Å; Y504-H590 AromaticContact CE2-ND1 3.7Å; Y504-H590 AromaticContact CZ-CE1 3.63Å; Y504-F593 HydrophobicContact CD2-CB 3.99Å; Y504-Q594 HydrophobicContact CE2-CG 3.93Å
505E59.3Low60.5Low122 Ų12280.3 Ų80.357%0.5745%0.445SS*.Hα-helixtrans-63.2-45.3175.4-70.6-169.9-177.700110.9S501 E502 A507 A508 N509S501-E505 PolarHBondContact O-N 2.93Å; S501-E505 VanDerWaalsContact O-N 3.16Å; E502-E505 PolarHBondContact O-N 3.41Å; E505-A507 PolarHBondContact O-N 3.36Å; E505-A508 PolarHBondContact O-N 3.4Å; E505-N509 VanDerWaalsContact O-CB 3.32Å; E505-N509 WeakPolarHBondContact O-CB 3.12Å; E505-N509 PolarHBondContact O-N 3.38Å; E505-N509 PolarHBondContact O-ND2 2.91Å
506D66.1Low61.2Low108 Ų10876 Ų7658%0.57843%0.428SS*.Hα-helixtrans-62.1-41.6174.2-91.7-7.2000112.6E502 A508 N509 C510E502-D506 PolarHBondContact O-N 3.45Å; D506-A508 PolarHBondContact O-N 3.38Å; D506-N509 PolarHBondContact O-N 3.17Å; D506-C510 VanDerWaalsContact O-CB 3.32Å; D506-C510 WeakPolarHBondContact O-CB 3.28Å; D506-C510 PolarHBondContact O-N 3.33Å; D506-C510 PolarHBondContact O-SG 3.19Å; D506-C510 VanDerWaalsContact O-SG 3.35Å
507A62.6Low62.2Low14 Ų1471.5 Ų71.512%0.11641%0.409CS..Hα-helixtrans-63.6-40176.200000112.5A503 Y504 E505 L511 F593A503-A507 WeakPolarHBondContact O-CB 3.26Å; A503-A507 PolarHBondContact O-N 3.23Å; Y504-A507 PolarHBondContact O-N 3Å; E505-A507 PolarHBondContact O-N 3.36Å; A507-L511 WeakPolarHBondContact O-CB 3.28Å; A507-L511 PolarHBondContact O-N 3.12Å; A507-F593 HydrophobicContact CB-CD2 3.99Å; A507-F593 HydrophobicContact CB-CE2 4.19Å
508A59.8Low63.2Low32 Ų3270.8 Ų70.826%0.26440%0.403SS..Hα-helixtrans-68.3-42.7175.800000111.8Y504 E505 D506 L511 W512Y504-A508 WeakPolarHBondContact O-CB 3.42Å; Y504-A508 PolarHBondContact O-N 3.19Å; E505-A508 PolarHBondContact O-N 3.4Å; D506-A508 PolarHBondContact O-N 3.38Å; A508-L511 PolarHBondContact O-N 3.02Å; A508-W512 PolarHBondContact O-N 3.25Å
509N68.9Low64.3Low89 Ų8968 Ų6848%0.47638%0.377SS..Hα-helixtrans-61.4-43.5174.3-73.1-34.3000111.4E505 D506 W512 L513E505-N509 VanDerWaalsContact O-CB 3.32Å; E505-N509 WeakPolarHBondContact O-CB 3.12Å; E505-N509 PolarHBondContact O-N 3.38Å; E505-N509 PolarHBondContact O-ND2 2.91Å; D506-N509 PolarHBondContact O-N 3.17Å; N509-W512 PolarHBondContact O-N 3.5Å; N509-L513 WeakPolarHBondContact O-CB 3.4Å; N509-L513 VanDerWaalsContact O-CG 3.24Å; N509-L513 WeakPolarHBondContact O-CG 3.21Å; N509-L513 PolarHBondContact O-N 3.42Å
510C66.4Low65.5Low65 Ų6566.3 Ų66.344%0.43936%0.359SS..Hα-helixtrans-60.1-49.9173.4-78.90000111.8D506 W512 L513 L514D506-C510 VanDerWaalsContact O-CB 3.32Å; D506-C510 WeakPolarHBondContact O-CB 3.28Å; D506-C510 PolarHBondContact O-N 3.33Å; D506-C510 PolarHBondContact O-SG 3.19Å; D506-C510 VanDerWaalsContact O-SG 3.35Å; C510-W512 VanDerWaalsContact C-N 3.32Å; C510-W512 PolarHBondContact O-N 3.42Å; C510-L513 PolarHBondContact O-N 3.38Å; C510-L514 WeakPolarHBondContact O-CB 3.07Å; C510-L514 WeakPolarHBondContact O-CG 3.25Å; C510-L514 PolarHBondContact O-N 3.23Å
511L66.2Low66.5Low35 Ų3567.1 Ų67.118%0.18337%0.365CS..Hα-helixtrans-59.9-41.2179.2-179.657.9000112.1A507 A508 L514 S515 A586 E587 H590A507-L511 WeakPolarHBondContact O-CB 3.28Å; A507-L511 PolarHBondContact O-N 3.12Å; A508-L511 PolarHBondContact O-N 3.02Å; L511-L514 PolarHBondContact O-N 2.85Å; L511-S515 PolarHBondContact O-N 3.41Å; L511-S515 VanDerWaalsContact O-N 3.08Å; L511-S515 PolarHBondContact O-OG 3.27Å; L511-A586 HydrophobicContact CB-CB 4.38Å; L511-A586 HydrophobicContact CD1-CB 4.14Å; L511-E587 HydrophobicContact CD1-CG 3.66Å; L511-E587 HydrophobicContact CD2-CG 4.09Å; L511-H590 HydrophobicContact CD2-CB 4.34Å
512W67.7Low67.7Low147 Ų14767.1 Ų67.156%0.55736%0.361SS*.Hα-helixtrans-65-43.1174.6-17589.7000112.5A508 N509 C510 L514 S515 N516A508-W512 PolarHBondContact O-N 3.25Å; N509-W512 PolarHBondContact O-N 3.5Å; C510-W512 VanDerWaalsContact C-N 3.32Å; C510-W512 PolarHBondContact O-N 3.42Å; W512-L514 VanDerWaalsContact C-N 3.32Å; W512-L514 PolarHBondContact O-N 2.91Å; W512-S515 WeakPolarHBondContact CA-OG 3.49Å; W512-S515 PolarHBondContact O-N 3.01Å; W512-S515 PolarHBondContact O-OG 3.33Å; W512-S515 VanDerWaalsContact O-OG 3.05Å; W512-N516 HydrophobicContact CH2-CB 4.41Å; W512-N516 HydrophobicContact CZ2-CB 4.23Å; W512-N516 PolarHBondContact NE1-ND2 2.85Å; W512-N516 WeakPolarHBondContact O-CB 3.41Å; W512-N516 PolarHBondContact O-N 2.87Å; W512-N516 VanDerWaalsContact O-N 3.08Å; W512-N516 PolarHBondContact O-ND2 3.06Å
513L65.3Low68.6Low71 Ų7161.6 Ų61.637%0.37234%0.339SS..Hα-helixtrans-62.6-38.3176.5-77.4167.1000112.2N509 C510 S517N509-L513 WeakPolarHBondContact O-CB 3.4Å; N509-L513 VanDerWaalsContact O-CG 3.24Å; N509-L513 WeakPolarHBondContact O-CG 3.21Å; N509-L513 PolarHBondContact O-N 3.42Å; C510-L513 PolarHBondContact O-N 3.38Å; L513-S517 WeakPolarHBondContact O-CB 3.4Å; L513-S517 PolarHBondContact O-N 3.29Å; L513-S517 VanDerWaalsContact O-N 3.08Å; L513-S517 PolarHBondContact O-OG 3.2Å
514L63.2Low69.6Low52 Ų5267 Ų6727%0.27236%0.357SS..Hα-helixtrans-73-35.8-179.2-69171.4000112.8C510 L511 W512 M582 T583 A586C510-L514 WeakPolarHBondContact O-CB 3.07Å; C510-L514 WeakPolarHBondContact O-CG 3.25Å; C510-L514 PolarHBondContact O-N 3.23Å; L511-L514 PolarHBondContact O-N 2.85Å; W512-L514 VanDerWaalsContact C-N 3.32Å; W512-L514 PolarHBondContact O-N 2.91Å; L514-M582 HydrophobicContact CD1-CG 3.94Å; L514-M582 HydrophobicContact CD2-CE 3.71Å; L514-M582 HydrophobicContact CD2-CG 3.67Å; L514-M582 HydrophobicContact CD2-SD 3.5Å; L514-M582 VanDerWaalsContact CD2-SD 3.5Å; L514-M582 HydrophobicContact CG-CG 4.44Å; L514-T583 HydrophobicContact CB-CG2 3.92Å; L514-A586 HydrophobicContact CD1-CB 3.56Å
515S62.9Low70.5Confident79 Ų7963.7 Ų63.755%0.55235%0.346SS*.Hα-helixtrans-75.8-29.7176.2480000113.5L511 W512L511-S515 PolarHBondContact O-N 3.41Å; L511-S515 VanDerWaalsContact O-N 3.08Å; L511-S515 PolarHBondContact O-OG 3.27Å; W512-S515 WeakPolarHBondContact CA-OG 3.49Å; W512-S515 PolarHBondContact O-N 3.01Å; W512-S515 PolarHBondContact O-OG 3.33Å; W512-S515 VanDerWaalsContact O-OG 3.05Å
516N67.4Low71.3Confident72 Ų7261.4 Ų61.439%0.38534%0.342SS..Hα-helixtrans-107.2-3.9-172.3-67.4-85.6000115.3W512W512-N516 HydrophobicContact CH2-CB 4.41Å; W512-N516 HydrophobicContact CZ2-CB 4.23Å; W512-N516 PolarHBondContact NE1-ND2 2.85Å; W512-N516 WeakPolarHBondContact O-CB 3.41Å; W512-N516 PolarHBondContact O-N 2.87Å; W512-N516 VanDerWaalsContact O-N 3.08Å; W512-N516 PolarHBondContact O-ND2 3.06Å
517S75.7Confident71.7Confident23 Ų2357 Ų5716%0.16132%0.319CS..  trans-140.4162.5-17783.60000113.2L513 P526 I527L513-S517 WeakPolarHBondContact O-CB 3.4Å; L513-S517 PolarHBondContact O-N 3.29Å; L513-S517 VanDerWaalsContact O-N 3.08Å; L513-S517 PolarHBondContact O-OG 3.2Å; S517-P526 WeakPolarHBondContact OG-CB 3.28Å; S517-I527 WeakPolarHBondContact CA-O 3.45Å; S517-I527 WeakPolarHBondContact CB-O 3.39Å
518K74.4Confident72.2Confident47 Ų4762.7 Ų62.720%0.20434%0.343CS..EExtended strand (participates in β ladder)trans-119.5141.2168.8-69.8-168177.2-169.60111.1I527 W547 I548 L550K518-I527 PolarHBondContact N-O 2.73Å; K518-I527 PolarHBondContact O-N 3.21Å; K518-W547 HydrophobicContact CB-CE3 4.36Å; K518-W547 HydrophobicContact CB-CH2 3.84Å; K518-W547 HydrophobicContact CB-CZ2 4.42Å; K518-W547 HydrophobicContact CB-CZ3 3.79Å; K518-W547 HydrophobicContact CD-CD2 4.21Å; K518-W547 HydrophobicContact CD-CE3 4.37Å; K518-W547 HydrophobicContact CD-CH2 4.31Å; K518-W547 HydrophobicContact CD-CZ2 4.09Å; K518-W547 HydrophobicContact CD-CZ3 4.43Å; K518-W547 WeakPolarHBondContact CD-O 3.47Å; K518-W547 HydrophobicContact CG-CH2 3.76Å; K518-W547 HydrophobicContact CG-CZ2 3.85Å; K518-W547 HydrophobicContact CG-CZ3 4.12Å; K518-W547 PolarHBondContact NZ-O 3.46Å; K518-I548 PolarHBondContact NZ-O 3.2Å; K518-L550 HydrophobicContact CB-CD2 4.27Å; K518-L550 HydrophobicContact CD-CD2 4.04Å
519P76.3Confident72.7Confident44 Ų4464.9 Ų64.929%0.28635%0.346SS..EExtended strand (participates in β ladder)trans-70.7135.2177.628.8-34.2000111.2K524P519-K524 HydrophobicContact CB-CD 4.46Å
520C79.5Confident72.3Confident0 Ų064.4 Ų64.40%034%0.344CS..  trans-57.1131.2170.6170.60000110.4T522 K524 S525 I527 C538 C541C520-T522 VanDerWaalsContact C-N 3.27Å; C520-T522 PolarHBondContact O-N 2.86Å; C520-K524 WeakPolarHBondContact O-CA 3.42Å; C520-K524 PolarHBondContact O-N 2.93Å; C520-S525 PolarHBondContact N-O 3.1Å; C520-I527 HydrophobicContact CB-CG1 4.32Å; C520-C538 HydrophobicContact CB-CB 4.09Å; C520-C538 VanDerWaalsContact SG-CB 3.56Å; C520-C538 VanDerWaalsContact SG-SG 3.66Å; C520-C541 VanDerWaalsContact SG-SG 3.67Å
521P77.9Confident71.9Confident40 Ų4070.2 Ų70.226%0.2636%0.364SS..THydrogen-bonded Turntrans-57.8-37.4-177.923.5-36.1000113.2Y543 F545 L550P521-Y543 HydrophobicContact CG-CD1 3.82Å; P521-Y543 HydrophobicContact CG-CE1 3.58Å; P521-F545 HydrophobicContact CG-CB 3.92Å; P521-F545 HydrophobicContact CG-CD1 4.43Å; P521-F545 HydrophobicContact CG-CD2 4.39Å; P521-F545 HydrophobicContact CG-CG 4.02Å; P521-L550 WeakPolarHBondContact CB-O 3.48Å; P521-L550 WeakPolarHBondContact CG-O 3.27Å
522T79.7Confident71.5Confident87 Ų8771.9 Ų71.953%0.53439%0.39SS..THydrogen-bonded Turntrans-85.6-38.7-174.2-39.50000114.4C520 Y543C520-T522 VanDerWaalsContact C-N 3.27Å; C520-T522 PolarHBondContact O-N 2.86Å; T522-Y543 VanDerWaalsContact OG1-CD1 3.25Å; T522-Y543 WeakPolarHBondContact OG1-CD1 3.24Å; T522-Y543 WeakPolarHBondContact OG1-CD2 3.44Å
523C81.5Confident71.4Confident40 Ų4066.9 Ų66.927%0.2738%0.377SS..THydrogen-bonded Turntrans-127.77.5-172.5780000115S525 C541C523-S525 PolarHBondContact O-N 3.28Å; C523-S525 PolarHBondContact SG-OG 3.48Å; C523-S525 VanDerWaalsContact SG-OG 3.41Å; C523-C541 HydrophobicContact CB-CB 4.15Å
524K81.3Confident71.5Confident149 Ų14965.2 Ų65.265%0.64837%0.369SS*.  trans56.81.5174.4-56-64.3-178.6174.80117.2P519 C520P519-K524 HydrophobicContact CB-CD 4.46Å; C520-K524 WeakPolarHBondContact O-CA 3.42Å; C520-K524 PolarHBondContact O-N 2.93Å
525S77.9Confident72Confident21 Ų2164.9 Ų64.915%0.14737%0.366CS..  trans-57.9136.1172.960.40000111.1C520 C523 I527 C538C520-S525 PolarHBondContact N-O 3.1Å; C523-S525 PolarHBondContact O-N 3.28Å; C523-S525 PolarHBondContact SG-OG 3.48Å; C523-S525 VanDerWaalsContact SG-OG 3.41Å; S525-I527 PolarHBondContact O-N 2.96Å; S525-C538 PolarHBondContact OG-SG 3.01Å; S525-C538 VanDerWaalsContact OG-SG 3.4Å
526P75.8Confident72.6Confident74 Ų7461.6 Ų61.648%0.48134%0.342SS..EExtended strand (participates in β ladder)trans-61.4136.1172.626.1-33.7000110.4S517S517-P526 WeakPolarHBondContact OG-CB 3.28Å
527I74.6Confident73.2Confident16 Ų1662.9 Ų62.98%0.08235%0.346CS..EExtended strand (participates in β ladder)trans-125.4124.8174.8-58.5-63.7000107.2S517 K518 C520 S525 M536 C538 F545 W547S517-I527 WeakPolarHBondContact CA-O 3.45Å; S517-I527 WeakPolarHBondContact CB-O 3.39Å; K518-I527 PolarHBondContact N-O 2.73Å; K518-I527 PolarHBondContact O-N 3.21Å; C520-I527 HydrophobicContact CB-CG1 4.32Å; S525-I527 PolarHBondContact O-N 2.96Å; I527-M536 HydrophobicContact CG2-CE 4.27Å; I527-M536 HydrophobicContact CG2-SD 3.92Å; I527-C538 HydrophobicContact CD1-CB 4.32Å; I527-F545 HydrophobicContact CB-CZ 4.3Å; I527-F545 HydrophobicContact CG1-CE1 4.43Å; I527-F545 HydrophobicContact CG1-CZ 4.19Å; I527-F545 HydrophobicContact CG2-CZ 4.35Å; I527-W547 HydrophobicContact CG2-CZ3 4.45Å; I527-W547 VanDerWaalsContact O-CH2 3.27Å; I527-W547 WeakPolarHBondContact O-CH2 3.26Å; I527-W547 WeakPolarHBondContact O-CZ3 3.3Å
528Q74.9Confident73.5Confident133 Ų13361.8 Ų61.862%0.62134%0.338SS*.PPolyproline II helixtrans-81.7148.3169.9-169.3177.61500109.5
529K69.3Low73.8Confident79 Ų7962.9 Ų62.934%0.34336%0.356SS..PPolyproline II helixtrans-68136.3177.7-153.6-170.8-178177.60110.7C533 N534 M536 W547K529-C533 WeakPolarHBondContact CE-O 3.31Å; K529-N534 PolarHBondContact NZ-OD1 3.4Å; K529-M536 HydrophobicContact CG-SD 4.35Å; K529-W547 HydrophobicContact CB-CD2 4.2Å; K529-W547 HydrophobicContact CB-CE3 4.45Å; K529-W547 HydrophobicContact CB-CH2 3.94Å; K529-W547 HydrophobicContact CB-CZ2 3.69Å; K529-W547 HydrophobicContact CB-CZ3 4.32Å; K529-W547 HydrophobicContact CD-CD2 4.3Å; K529-W547 HydrophobicContact CD-CG 4.21Å; K529-W547 HydrophobicContact CG-CD2 3.81Å; K529-W547 HydrophobicContact CG-CE3 4.31Å; K529-W547 HydrophobicContact CG-CG 4.08Å; K529-W547 HydrophobicContact CG-CZ2 4.15Å
530N61.6Low74.2Confident78 Ų7868.6 Ų68.642%0.41738%0.376SS..PPolyproline II helixtrans-81.5154.5163.960.7-3.8000111G532 C533 M536N530-G532 PolarHBondContact O-N 3.23Å; N530-C533 WeakPolarHBondContact OD1-CB 3.4Å; N530-M536 HydrophobicContact CB-CE 4.12Å; N530-M536 VanDerWaalsContact CG-CE 3.48Å; N530-M536 VanDerWaalsContact OD1-CE 3.32Å; N530-M536 WeakPolarHBondContact OD1-CE 3.38Å
531E57.7Low74.5Confident187 Ų18771 Ų7187%0.87439%0.392SS*.SBendtrans-64.497.5-166.3-63.8174.4156.400112.3
532G56.4Low74.8Confident71 Ų7175.1 Ų75.173%0.73241%0.406SS*.SBendtrans97.6-19172.300000116.9N530N530-G532 PolarHBondContact O-N 3.23Å
533C67.1Low75.1Confident42 Ų4274 Ų7428%0.28439%0.393SS..  trans-88.7142.9-174.6-158.90000113.5K529 N530 H535K529-C533 WeakPolarHBondContact CE-O 3.31Å; N530-C533 WeakPolarHBondContact OD1-CB 3.4Å; C533-H535 PolarHBondContact SG-N 3.02Å; C533-H535 VanDerWaalsContact SG-N 3.42Å
534N66.1Low75.1Confident35 Ų3574.5 Ų74.519%0.18739%0.393CS..SBendtrans-99.1-5172-66.4-35.1000113K529 C546 W547 I548K529-N534 PolarHBondContact NZ-OD1 3.4Å; N534-C546 CarbonylContact O-C 3.59Å; N534-C546 WeakPolarHBondContact O-CA 3.46Å; N534-W547 PolarHBondContact O-N 3.2Å; N534-I548 HydrophobicContact CB-CD1 4.49Å; N534-I548 HydrophobicContact CB-CG1 4.49Å
535H73.4Confident75.1Confident45 Ų4567.4 Ų67.421%0.20836%0.362CS..EExtended strand (participates in β ladder)trans-89.6121168.5177.1-128.3000109.7C533 D544 W553C533-H535 PolarHBondContact SG-N 3.02Å; C533-H535 VanDerWaalsContact SG-N 3.42Å; H535-D544 IonicContact CE1-OD1 3.95Å; H535-D544 WeakPolarHBondContact NE2-CB 3.32Å; H535-D544 IonicContact NE2-OD1 3.67Å; H535-W553 HydrophobicContact CB-CD2 4.01Å; H535-W553 HydrophobicContact CB-CE3 4.03Å; H535-W553 HydrophobicContact CB-CH2 3.79Å; H535-W553 HydrophobicContact CB-CZ2 3.76Å; H535-W553 HydrophobicContact CB-CZ3 3.93Å; H535-W553 AromaticContact CD2-CD1 3.55Å; H535-W553 AromaticContact CD2-CD2 3.26Å; H535-W553 AromaticContact CD2-CE2 3.68Å; H535-W553 AromaticContact CD2-CE3 3.73Å; H535-W553 AromaticContact CD2-CG 3.21Å; H535-W553 AromaticContact CD2-NE1 3.8Å; H535-W553 AromaticContact CG-CD2 3.84Å; H535-W553 AromaticContact CG-CE2 3.83Å; H535-W553 AromaticContact NE2-CD1 3.7Å; H535-W553 AromaticContact NE2-CG 3.65Å
536M76.3Confident75Confident11 Ų1166.6 Ų66.65%0.05436%0.356CS..EExtended strand (participates in β ladder)trans-124.4125.3-177.2-69.1-10361.600110.5I527 K529 N530 F545 W547I527-M536 HydrophobicContact CG2-CE 4.27Å; I527-M536 HydrophobicContact CG2-SD 3.92Å; K529-M536 HydrophobicContact CG-SD 4.35Å; N530-M536 HydrophobicContact CB-CE 4.12Å; N530-M536 VanDerWaalsContact CG-CE 3.48Å; N530-M536 VanDerWaalsContact OD1-CE 3.32Å; N530-M536 WeakPolarHBondContact OD1-CE 3.38Å; M536-F545 HydrophobicContact CB-CD1 4.23Å; M536-F545 HydrophobicContact CB-CD2 4.41Å; M536-F545 HydrophobicContact CB-CE1 3.82Å; M536-F545 HydrophobicContact CB-CE2 4.02Å; M536-F545 HydrophobicContact CB-CZ 3.71Å; M536-F545 PolarHBondContact N-O 3.22Å; M536-F545 WeakPolarHBondContact O-CD1 3.47Å; M536-F545 PolarHBondContact O-N 2.77Å; M536-W547 HydrophobicContact CG-CB 3.98Å; M536-W547 HydrophobicContact CG-CD2 4.4Å; M536-W547 HydrophobicContact CG-CE3 3.76Å; M536-W547 HydrophobicContact SD-CD2 4.32Å; M536-W547 HydrophobicContact SD-CE3 3.51Å; M536-W547 VanDerWaalsContact SD-CE3 3.51Å; M536-W547 HydrophobicContact SD-CZ3 3.91Å
537Q79.9Confident74.9Confident99 Ų9964.8 Ų64.846%0.46334%0.34SS..EExtended strand (participates in β ladder)trans-98124.9169.4-175.2170.3102.300109.4A539 Y543 D544Q537-A539 PolarHBondContact O-N 3.38Å; Q537-Y543 WeakPolarHBondContact CA-O 3.26Å; Q537-D544 WeakPolarHBondContact CB-OD1 3.32Å; Q537-D544 VanDerWaalsContact CG-OD1 3.26Å; Q537-D544 WeakPolarHBondContact CG-OD1 3.43Å; Q537-D544 PolarHBondContact NE2-OD1 3.23Å
538C81.2Confident74.6Confident0 Ų066.2 Ų66.20%035%0.347CS..  trans-65.5122.2176173.50000111.1C520 S525 I527 K540 K542 Y543 F545C520-C538 HydrophobicContact CB-CB 4.09Å; C520-C538 VanDerWaalsContact SG-CB 3.56Å; C520-C538 VanDerWaalsContact SG-SG 3.66Å; S525-C538 PolarHBondContact OG-SG 3.01Å; S525-C538 VanDerWaalsContact OG-SG 3.4Å; I527-C538 HydrophobicContact CD1-CB 4.32Å; C538-K540 VanDerWaalsContact C-N 3.25Å; C538-K540 PolarHBondContact O-N 3.47Å; C538-K540 PolarHBondContact SG-N 3.43Å; C538-K542 WeakPolarHBondContact O-CA 3.49Å; C538-K542 PolarHBondContact O-N 2.7Å; C538-Y543 PolarHBondContact N-O 3.22Å; C538-F545 HydrophobicContact CB-CE1 4.29Å
539A82.2Confident74.2Confident70 Ų7060 Ų6058%0.57932%0.318SS*.THydrogen-bonded Turntrans-55.5-38.9179.200000113.4Q537 K542Q537-A539 PolarHBondContact O-N 3.38Å; A539-K542 WeakPolarHBondContact O-CE 3.44Å; A539-K542 PolarHBondContact O-NZ 3.33Å
540K83.9Confident74.4Confident164 Ų16457.6 Ų57.671%0.71331%0.309SS*.THydrogen-bonded Turntrans-77-51.8-175.5-170.7176.3-177.6178.30114.8C538C538-K540 VanDerWaalsContact C-N 3.25Å; C538-K540 PolarHBondContact O-N 3.47Å; C538-K540 PolarHBondContact SG-N 3.43Å
541C86.4Confident74.9Confident51 Ų5156 Ų5635%0.34530%0.299SS..THydrogen-bonded Turntrans-107.51-176.968.80000115.4C520 C523 Y543C520-C541 VanDerWaalsContact SG-SG 3.67Å; C523-C541 HydrophobicContact CB-CB 4.15Å; C541-Y543 PolarHBondContact O-N 3.06Å; C541-Y543 VanDerWaalsContact O-N 3.11Å; C541-Y543 VanDerWaalsContact SG-CB 3.52Å
542K84.6Confident75.9Confident126 Ų12649.3 Ų49.355%0.54827%0.268SS..  trans55.221.9-176.4-51.3-52.1-172.6-163.80115.3C538 A539C538-K542 WeakPolarHBondContact O-CA 3.49Å; C538-K542 PolarHBondContact O-N 2.7Å; A539-K542 WeakPolarHBondContact O-CE 3.44Å; A539-K542 PolarHBondContact O-NZ 3.33Å
543Y84.3Confident76.7Confident63 Ų6347.7 Ų47.725%0.24724%0.239CC..  trans-76131.6174.2-172.8-99000111.4P521 T522 Q537 C538 C541 F545 E552P521-Y543 HydrophobicContact CG-CD1 3.82Å; P521-Y543 HydrophobicContact CG-CE1 3.58Å; T522-Y543 VanDerWaalsContact OG1-CD1 3.25Å; T522-Y543 WeakPolarHBondContact OG1-CD1 3.24Å; T522-Y543 WeakPolarHBondContact OG1-CD2 3.44Å; Q537-Y543 WeakPolarHBondContact CA-O 3.26Å; C538-Y543 PolarHBondContact N-O 3.22Å; C541-Y543 PolarHBondContact O-N 3.06Å; C541-Y543 VanDerWaalsContact O-N 3.11Å; C541-Y543 VanDerWaalsContact SG-CB 3.52Å; Y543-F545 HydrophobicContact CD1-CB 4Å; Y543-F545 HydrophobicContact CD1-CD1 4.33Å; Y543-F545 HydrophobicContact CE1-CB 3.92Å; Y543-E552 HydrophobicContact CE2-CG 4.27Å; Y543-E552 WeakPolarHBondContact OH-CB 3.4Å; Y543-E552 WeakPolarHBondContact OH-CG 3.45Å
544D82.4Confident76.9Confident51 Ų5153.5 Ų53.527%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-95117.2-179-65.2-38000110.9H535 Q537 W553H535-D544 IonicContact CE1-OD1 3.95Å; H535-D544 WeakPolarHBondContact NE2-CB 3.32Å; H535-D544 IonicContact NE2-OD1 3.67Å; Q537-D544 WeakPolarHBondContact CB-OD1 3.32Å; Q537-D544 VanDerWaalsContact CG-OD1 3.26Å; Q537-D544 WeakPolarHBondContact CG-OD1 3.43Å; Q537-D544 PolarHBondContact NE2-OD1 3.23Å; D544-W553 HydrophobicContact CB-CB 4Å; D544-W553 PolarHBondContact O-N 3.03Å
545F80.9Confident77Confident0 Ų056.8 Ų56.80%027%0.273CS..EExtended strand (participates in β ladder)trans-137.3164.1-175.369-80.6000113.1P521 I527 M536 C538 Y543 L550 E551P521-F545 HydrophobicContact CG-CB 3.92Å; P521-F545 HydrophobicContact CG-CD1 4.43Å; P521-F545 HydrophobicContact CG-CD2 4.39Å; P521-F545 HydrophobicContact CG-CG 4.02Å; I527-F545 HydrophobicContact CB-CZ 4.3Å; I527-F545 HydrophobicContact CG1-CE1 4.43Å; I527-F545 HydrophobicContact CG1-CZ 4.19Å; I527-F545 HydrophobicContact CG2-CZ 4.35Å; M536-F545 HydrophobicContact CB-CD1 4.23Å; M536-F545 HydrophobicContact CB-CD2 4.41Å; M536-F545 HydrophobicContact CB-CE1 3.82Å; M536-F545 HydrophobicContact CB-CE2 4.02Å; M536-F545 HydrophobicContact CB-CZ 3.71Å; M536-F545 PolarHBondContact N-O 3.22Å; M536-F545 WeakPolarHBondContact O-CD1 3.47Å; M536-F545 PolarHBondContact O-N 2.77Å; C538-F545 HydrophobicContact CB-CE1 4.29Å; Y543-F545 HydrophobicContact CD1-CB 4Å; Y543-F545 HydrophobicContact CD1-CD1 4.33Å; Y543-F545 HydrophobicContact CE1-CB 3.92Å; F545-L550 HydrophobicContact CD2-CD2 3.79Å; F545-L550 HydrophobicContact CE2-CD2 3.61Å; F545-E551 WeakPolarHBondContact CA-O 3.45Å
546C76.3Confident76.6Confident3 Ų355.7 Ų55.72%0.0227%0.267CS..EExtended strand (participates in β ladder)trans-87.3126.3174.5-1790000111.3N534 I548 L550 E551 W553 H556N534-C546 CarbonylContact O-C 3.59Å; N534-C546 WeakPolarHBondContact O-CA 3.46Å; C546-I548 PolarHBondContact O-N 3.36Å; C546-I548 VanDerWaalsContact O-N 3.16Å; C546-L550 VanDerWaalsContact O-CA 3.26Å; C546-L550 WeakPolarHBondContact O-CA 3.01Å; C546-L550 PolarHBondContact O-N 3.07Å; C546-E551 PolarHBondContact N-O 2.74Å; C546-W553 HydrophobicContact CB-CE3 3.96Å; C546-W553 HydrophobicContact CB-CZ3 3.99Å; C546-H556 VanDerWaalsContact CB-CE1 3.45Å; C546-H556 WeakPolarHBondContact CB-CE1 3.46Å
547W72.6Confident75.8Confident37 Ų3757.9 Ų57.914%0.1428%0.284CS..THydrogen-bonded Turntrans-57-30.4177.7-176.7-105.2000113.9K518 I527 K529 N534 M536K518-W547 HydrophobicContact CB-CE3 4.36Å; K518-W547 HydrophobicContact CB-CH2 3.84Å; K518-W547 HydrophobicContact CB-CZ2 4.42Å; K518-W547 HydrophobicContact CB-CZ3 3.79Å; K518-W547 HydrophobicContact CD-CD2 4.21Å; K518-W547 HydrophobicContact CD-CE3 4.37Å; K518-W547 HydrophobicContact CD-CH2 4.31Å; K518-W547 HydrophobicContact CD-CZ2 4.09Å; K518-W547 HydrophobicContact CD-CZ3 4.43Å; K518-W547 WeakPolarHBondContact CD-O 3.47Å; K518-W547 HydrophobicContact CG-CH2 3.76Å; K518-W547 HydrophobicContact CG-CZ2 3.85Å; K518-W547 HydrophobicContact CG-CZ3 4.12Å; K518-W547 PolarHBondContact NZ-O 3.46Å; I527-W547 HydrophobicContact CG2-CZ3 4.45Å; I527-W547 VanDerWaalsContact O-CH2 3.27Å; I527-W547 WeakPolarHBondContact O-CH2 3.26Å; I527-W547 WeakPolarHBondContact O-CZ3 3.3Å; K529-W547 HydrophobicContact CB-CD2 4.2Å; K529-W547 HydrophobicContact CB-CE3 4.45Å; K529-W547 HydrophobicContact CB-CH2 3.94Å; K529-W547 HydrophobicContact CB-CZ2 3.69Å; K529-W547 HydrophobicContact CB-CZ3 4.32Å; K529-W547 HydrophobicContact CD-CD2 4.3Å; K529-W547 HydrophobicContact CD-CG 4.21Å; K529-W547 HydrophobicContact CG-CD2 3.81Å; K529-W547 HydrophobicContact CG-CE3 4.31Å; K529-W547 HydrophobicContact CG-CG 4.08Å; K529-W547 HydrophobicContact CG-CZ2 4.15Å; N534-W547 PolarHBondContact O-N 3.2Å; M536-W547 HydrophobicContact CG-CB 3.98Å; M536-W547 HydrophobicContact CG-CD2 4.4Å; M536-W547 HydrophobicContact CG-CE3 3.76Å; M536-W547 HydrophobicContact SD-CD2 4.32Å; M536-W547 HydrophobicContact SD-CE3 3.51Å; M536-W547 VanDerWaalsContact SD-CE3 3.51Å; M536-W547 HydrophobicContact SD-CZ3 3.91Å
548I69.6Low74.6Confident46 Ų4658.9 Ų58.924%0.23630%0.302CS..THydrogen-bonded Turntrans-77.3-54.9-172.9-55.5-179.7000110.3K518 N534 C546 C566 I572K518-I548 PolarHBondContact NZ-O 3.2Å; N534-I548 HydrophobicContact CB-CD1 4.49Å; N534-I548 HydrophobicContact CB-CG1 4.49Å; C546-I548 PolarHBondContact O-N 3.36Å; C546-I548 VanDerWaalsContact O-N 3.16Å; I548-C566 HydrophobicContact CB-CB 4.33Å; I548-C566 HydrophobicContact CD1-CB 4.26Å; I548-C566 HydrophobicContact CG2-CB 4.49Å; I548-I572 HydrophobicContact CG2-CD1 3.68Å; I548-I572 HydrophobicContact CG2-CG1 3.95Å; I548-I572 HydrophobicContact CG2-CG2 4.5Å
549C65.9Low73.3Confident3 Ų363.9 Ų63.92%0.0234%0.337CS..THydrogen-bonded Turntrans-112.41.8-170.462.40000115.1E551 H556 C566 V571 I572C549-E551 PolarHBondContact O-N 3.07Å; C549-H556 VanDerWaalsContact SG-CE1 3.55Å; C549-H556 PolarHBondContact SG-NE2 3.33Å; C549-C566 PolarHBondContact SG-SG 3.13Å; C549-V571 HydrophobicContact CB-CG1 4.19Å; C549-I572 HydrophobicContact CB-CG1 3.98Å
550L73.3Confident71.8Confident28 Ų2862 Ų6215%0.14732%0.318CS..  trans58.49.3179.9-55.4-179.2000116.5K518 P521 F545 C546 V575K518-L550 HydrophobicContact CB-CD2 4.27Å; K518-L550 HydrophobicContact CD-CD2 4.04Å; P521-L550 WeakPolarHBondContact CB-O 3.48Å; P521-L550 WeakPolarHBondContact CG-O 3.27Å; F545-L550 HydrophobicContact CD2-CD2 3.79Å; F545-L550 HydrophobicContact CE2-CD2 3.61Å; C546-L550 VanDerWaalsContact O-CA 3.26Å; C546-L550 WeakPolarHBondContact O-CA 3.01Å; C546-L550 PolarHBondContact O-N 3.07Å; L550-V575 HydrophobicContact CD1-CG1 3.71Å; L550-V575 HydrophobicContact CD1-CG2 4.21Å; L550-V575 HydrophobicContact CG-CG1 4.07Å; L550-V575 HydrophobicContact CG-CG2 4.43Å
551E72.5Confident70.4Confident43 Ų4356.4 Ų56.420%0.20131%0.307CS..  trans-79.7159.8175.2-91.5-83.3-128.600113.4F545 C546 C549 W553 K555 R568F545-E551 WeakPolarHBondContact CA-O 3.45Å; C546-E551 PolarHBondContact N-O 2.74Å; C549-E551 PolarHBondContact O-N 3.07Å; E551-W553 PolarHBondContact O-N 3.03Å; E551-K555 IonicContact OE1-NZ 2.86Å; E551-K555 PolarHBondContact OE1-NZ 3.38Å; E551-K555 WeakPolarHBondContact OE2-CD 3.46Å; E551-K555 IonicContact OE2-NZ 3.24Å; E551-K555 PolarHBondContact OE2-NZ 2.88Å; E551-R568 IonicContact OE1-NH1 3.21Å; E551-R568 PolarHBondContact OE1-NH1 3.41Å
552E78.3Confident69Low48 Ų4855.1 Ų55.122%0.22430%0.302CS..BIsolated β-bridgetrans-54.5134.2179-165.1178.6177.300112Y543 K554 K555 H556Y543-E552 HydrophobicContact CE2-CG 4.27Å; Y543-E552 WeakPolarHBondContact OH-CB 3.4Å; Y543-E552 WeakPolarHBondContact OH-CG 3.45Å; E552-K554 VanDerWaalsContact C-N 3.25Å; E552-K554 HydrophobicContact CG-CB 4.23Å; E552-K554 HydrophobicContact CG-CG 4.3Å; E552-K554 PolarHBondContact O-N 3.46Å; E552-K554 WeakPolarHBondContact OE1-CD 3.39Å; E552-K554 WeakPolarHBondContact OE1-CG 3.32Å; E552-K554 IonicContact OE1-NZ 2.63Å; E552-K554 PolarHBondContact OE1-NZ 3.24Å; E552-K555 HydrophobicContact CB-CD 4.12Å; E552-K555 HydrophobicContact CB-CG 4.21Å; E552-K555 WeakPolarHBondContact O-CB 3.37Å; E552-K555 PolarHBondContact O-N 2.83Å; E552-K555 VanDerWaalsContact O-N 3.13Å; E552-H556 PolarHBondContact O-ND1 3.42Å; E552-H556 VanDerWaalsContact O-ND1 3.14Å
553W72.9Confident67.5Low37 Ų3754.8 Ų54.814%0.1430%0.298CS..G310 helixtrans-61.1-34.7-179.6-168.9-110000112.8H535 D544 C546 E551 K555 H556 Y563H535-W553 HydrophobicContact CB-CD2 4.01Å; H535-W553 HydrophobicContact CB-CE3 4.03Å; H535-W553 HydrophobicContact CB-CH2 3.79Å; H535-W553 HydrophobicContact CB-CZ2 3.76Å; H535-W553 HydrophobicContact CB-CZ3 3.93Å; H535-W553 AromaticContact CD2-CD1 3.55Å; H535-W553 AromaticContact CD2-CD2 3.26Å; H535-W553 AromaticContact CD2-CE2 3.68Å; H535-W553 AromaticContact CD2-CE3 3.73Å; H535-W553 AromaticContact CD2-CG 3.21Å; H535-W553 AromaticContact CD2-NE1 3.8Å; H535-W553 AromaticContact CG-CD2 3.84Å; H535-W553 AromaticContact CG-CE2 3.83Å; H535-W553 AromaticContact NE2-CD1 3.7Å; H535-W553 AromaticContact NE2-CG 3.65Å; D544-W553 HydrophobicContact CB-CB 4Å; D544-W553 PolarHBondContact O-N 3.03Å; C546-W553 HydrophobicContact CB-CE3 3.96Å; C546-W553 HydrophobicContact CB-CZ3 3.99Å; E551-W553 PolarHBondContact O-N 3.03Å; W553-K555 PolarHBondContact O-N 3.49Å; W553-K555 VanDerWaalsContact O-N 3.07Å; W553-H556 WeakPolarHBondContact O-CB 2.86Å; W553-H556 PolarHBondContact O-N 3.3Å; W553-Y563 WeakPolarHBondContact CH2-O 3.45Å; W553-Y563 AromaticContact CZ2-CD2 3.75Å; W553-Y563 HydrophobicContact CZ2-CD2 3.75Å; W553-Y563 AromaticContact CZ2-CE2 3.74Å; W553-Y563 HydrophobicContact CZ2-CE2 3.74Å; W553-Y563 HydrophobicContact CZ2-CG 4.16Å
554K72.4Confident66Low164 Ų16460.5 Ų60.571%0.71332%0.32SS*.G310 helixtrans-59.1-22.9178.4-56.2-167.4-165.671.40114.1E552 H556E552-K554 VanDerWaalsContact C-N 3.25Å; E552-K554 HydrophobicContact CG-CB 4.23Å; E552-K554 HydrophobicContact CG-CG 4.3Å; E552-K554 PolarHBondContact O-N 3.46Å; E552-K554 WeakPolarHBondContact OE1-CD 3.39Å; E552-K554 WeakPolarHBondContact OE1-CG 3.32Å; E552-K554 IonicContact OE1-NZ 2.63Å; E552-K554 PolarHBondContact OE1-NZ 3.24Å; K554-H556 VanDerWaalsContact C-N 3.29Å
555K67.8Low64.6Low104 Ų10467.3 Ų67.345%0.45234%0.342SS..G310 helixtrans-75.2-18.4175.7-64.1172.6178.8178.40112.7E551 E552 W553 S557 T560E551-K555 IonicContact OE1-NZ 2.86Å; E551-K555 PolarHBondContact OE1-NZ 3.38Å; E551-K555 WeakPolarHBondContact OE2-CD 3.46Å; E551-K555 IonicContact OE2-NZ 3.24Å; E551-K555 PolarHBondContact OE2-NZ 2.88Å; E552-K555 HydrophobicContact CB-CD 4.12Å; E552-K555 HydrophobicContact CB-CG 4.21Å; E552-K555 WeakPolarHBondContact O-CB 3.37Å; E552-K555 PolarHBondContact O-N 2.83Å; E552-K555 VanDerWaalsContact O-N 3.13Å; W553-K555 PolarHBondContact O-N 3.49Å; W553-K555 VanDerWaalsContact O-N 3.07Å; K555-S557 PolarHBondContact O-N 2.8Å; K555-T560 PolarHBondContact O-OG1 3.11Å
556H63.8Low63.6Low22 Ų2268.1 Ų68.110%0.10235%0.348CS..  trans-89.580.5-176.7-66.480.6000110.9C546 C549 E552 W553 K554 C566C546-H556 VanDerWaalsContact CB-CE1 3.45Å; C546-H556 WeakPolarHBondContact CB-CE1 3.46Å; C549-H556 VanDerWaalsContact SG-CE1 3.55Å; C549-H556 PolarHBondContact SG-NE2 3.33Å; E552-H556 PolarHBondContact O-ND1 3.42Å; E552-H556 VanDerWaalsContact O-ND1 3.14Å; W553-H556 WeakPolarHBondContact O-CB 2.86Å; W553-H556 PolarHBondContact O-N 3.3Å; K554-H556 VanDerWaalsContact C-N 3.29Å; H556-C566 PolarHBondContact NE2-SG 3.26Å
557S59.7Low62.6Low56 Ų5672.5 Ų72.539%0.39238%0.375SS..  trans-105.6-177.917772.50000111.8K555 S559 T560K555-S557 PolarHBondContact O-N 2.8Å; S557-S559 PolarHBondContact O-N 3.09Å; S557-S559 PolarHBondContact OG-OG 3.31Å; S557-S559 VanDerWaalsContact OG-OG 3.05Å; S557-T560 PolarHBondContact N-OG1 3.38Å; S557-T560 PolarHBondContact O-N 2.91Å; S557-T560 PolarHBondContact O-OG1 3.39Å
558S55.9Low62.1Low121 Ų12175.8 Ų75.885%0.84639%0.387SS*.THydrogen-bonded Turntrans-61.2-14.1-179.2390000114.5
559S52.8Low61.6Low105 Ų10582 Ų8273%0.73441%0.409SS*.THydrogen-bonded Turntrans-80.6-11.2173.360.50000114.6S557S557-S559 PolarHBondContact O-N 3.09Å; S557-S559 PolarHBondContact OG-OG 3.31Å; S557-S559 VanDerWaalsContact OG-OG 3.05Å
560T50.6Low61.6Low30 Ų3089.1 Ų89.118%0.18444%0.442CS..THydrogen-bonded Turntrans-114.116.5-166.3-20.30000114.5K555 S557 T567 R568K555-T560 PolarHBondContact O-OG1 3.11Å; S557-T560 PolarHBondContact N-OG1 3.38Å; S557-T560 PolarHBondContact O-N 2.91Å; S557-T560 PolarHBondContact O-OG1 3.39Å; T560-T567 PolarHBondContact O-OG1 3.34Å; T560-R568 HydrophobicContact CG2-CG 4.48Å
561G55.1Low61.1Low47 Ų4789.2 Ų89.249%0.48544%0.444SS..THydrogen-bonded Turntrans104.6-9-17300000114.5R565G561-R565 CarbonylContact C-O 3.54Å
562G57.6Low60.7Low23 Ų2389.1 Ų89.124%0.23744%0.444CS..  trans82.6171.917600000114.4Y564 R565G562-Y564 PolarHBondContact O-N 3.46Å; G562-R565 PolarHBondContact O-N 2.84Å; G562-R565 VanDerWaalsContact O-N 3.13Å
563Y53.2Low60.1Low119 Ų11991.8 Ų91.847%0.46746%0.456SS..THydrogen-bonded Turntrans-52.3-24.2-168.9-172.1-87.4000115.4W553W553-Y563 WeakPolarHBondContact CH2-O 3.45Å; W553-Y563 AromaticContact CZ2-CD2 3.75Å; W553-Y563 HydrophobicContact CZ2-CD2 3.75Å; W553-Y563 AromaticContact CZ2-CE2 3.74Å; W553-Y563 HydrophobicContact CZ2-CE2 3.74Å; W553-Y563 HydrophobicContact CZ2-CG 4.16Å
564Y51.8Low59.9Low183 Ų18396.1 Ų96.172%0.71848%0.478SS*.THydrogen-bonded Turntrans-106.3-10.1-174.4-61.9-78.4000114.9G562G562-Y564 PolarHBondContact O-N 3.46Å
565R54Low59.6Low194 Ų19489.5 Ų89.573%0.73245%0.451SS*.  trans-141116.9-173.5-70.2-177.4174168.8-2.9112.2G561 G562G561-R565 CarbonylContact C-O 3.54Å; G562-R565 PolarHBondContact O-N 2.84Å; G562-R565 VanDerWaalsContact O-N 3.13Å
566C59Low59.6Low17 Ų1788 Ų8812%0.11545%0.451CS..  trans-93.6132.1168.6-1710000110I548 C549 H556I548-C566 HydrophobicContact CB-CB 4.33Å; I548-C566 HydrophobicContact CD1-CB 4.26Å; I548-C566 HydrophobicContact CG2-CB 4.49Å; C549-C566 PolarHBondContact SG-SG 3.13Å; H556-C566 PolarHBondContact NE2-SG 3.26Å
567T55.4Low60.1Low96 Ų9690.5 Ų90.559%0.58946%0.463SS*.  trans-117.38.3-174.155.50000114.3T560 Y569T560-T567 PolarHBondContact O-OG1 3.34Å; T567-Y569 VanDerWaalsContact C-N 3.32Å; T567-Y569 PolarHBondContact O-N 2.7Å
568R62.4Low60.6Low106 Ų10694 Ų9440%0.447%0.473SS..  trans-78.974.4-175.3-60.5-172.476.6-161.21.9112.2E551 T560 E570 V571 I572E551-R568 IonicContact OE1-NH1 3.21Å; E551-R568 PolarHBondContact OE1-NH1 3.41Å; T560-R568 HydrophobicContact CG2-CG 4.48Å; R568-E570 PolarHBondContact O-N 3.47Å; R568-V571 PolarHBondContact O-N 3.47Å; R568-I572 WeakPolarHBondContact O-CG1 3.4Å; R568-I572 PolarHBondContact O-N 2.97Å
569Y59.1Low61.1Low176 Ų17690.7 Ų90.769%0.6945%0.45SS*.Hα-helixtrans-47.8-49-171.9-168.6-94.6000114.4T567 V571 I572 Q573T567-Y569 VanDerWaalsContact C-N 3.32Å; T567-Y569 PolarHBondContact O-N 2.7Å; Y569-V571 PolarHBondContact O-N 2.94Å; Y569-I572 WeakPolarHBondContact O-CB 3.16Å; Y569-I572 PolarHBondContact O-N 2.91Å; Y569-I572 VanDerWaalsContact O-N 3.14Å; Y569-Q573 WeakPolarHBondContact O-CB 3.15Å; Y569-Q573 PolarHBondContact O-N 3.12Å
570E65.2Low62.1Low152 Ų15289.8 Ų89.871%0.7143%0.433SS*.Hα-helixtrans-56.8-45.6-178.2-61.5166.2169.300113.3R568 Q573 Q574R568-E570 PolarHBondContact O-N 3.47Å; E570-Q573 PolarHBondContact O-N 3.5Å; E570-Q574 WeakPolarHBondContact O-CG 3.46Å; E570-Q574 PolarHBondContact O-N 2.95Å
571V64Low63.3Low31 Ų3193.9 Ų93.919%0.18845%0.45CS..Hα-helixtrans-71.5-35.1-180-177.50000110.6C549 R568 Y569 V575C549-V571 HydrophobicContact CB-CG1 4.19Å; R568-V571 PolarHBondContact O-N 3.47Å; Y569-V571 PolarHBondContact O-N 2.94Å; V571-V575 WeakPolarHBondContact O-CB 3.22Å; V571-V575 WeakPolarHBondContact O-CG2 3.33Å; V571-V575 PolarHBondContact O-N 2.63Å
572I63.1Low64.1Low40 Ų4095.3 Ų95.321%0.20544%0.444CS..Hα-helixtrans-65-44174.8-63.2170.3000109.7I548 C549 R568 Y569 V575 V576I548-I572 HydrophobicContact CG2-CD1 3.68Å; I548-I572 HydrophobicContact CG2-CG1 3.95Å; I548-I572 HydrophobicContact CG2-CG2 4.5Å; C549-I572 HydrophobicContact CB-CG1 3.98Å; R568-I572 WeakPolarHBondContact O-CG1 3.4Å; R568-I572 PolarHBondContact O-N 2.97Å; Y569-I572 WeakPolarHBondContact O-CB 3.16Å; Y569-I572 PolarHBondContact O-N 2.91Å; Y569-I572 VanDerWaalsContact O-N 3.14Å; I572-V575 PolarHBondContact O-N 3.46Å; I572-V576 HydrophobicContact CG2-CG2 4.37Å; I572-V576 WeakPolarHBondContact O-CB 3.11Å; I572-V576 VanDerWaalsContact O-CG2 3.26Å; I572-V576 WeakPolarHBondContact O-CG2 3.41Å; I572-V576 PolarHBondContact O-N 2.87Å
573Q66.4Low64.7Low104 Ų10495.8 Ų95.849%0.48644%0.443SS..Hα-helixtrans-62.9-44.9177.7-169.5173.62.100111.8Y569 E570 V575 V576 E577Y569-Q573 WeakPolarHBondContact O-CB 3.15Å; Y569-Q573 PolarHBondContact O-N 3.12Å; E570-Q573 PolarHBondContact O-N 3.5Å; Q573-V575 PolarHBondContact O-N 3.4Å; Q573-V576 PolarHBondContact O-N 3.13Å; Q573-E577 PolarHBondContact O-N 3.2Å
574Q69.4Low66Low129 Ų12994.9 Ų94.960%0.60344%0.443SS*.Hα-helixtrans-61.6-42175.2-73.7178.8-10.100113.1E570 Q578E570-Q574 WeakPolarHBondContact O-CG 3.46Å; E570-Q574 PolarHBondContact O-N 2.95Å; Q574-Q578 WeakPolarHBondContact O-CB 3.11Å; Q574-Q578 WeakPolarHBondContact O-CG 3.3Å; Q574-Q578 PolarHBondContact O-N 2.81Å
575V65Low67.3Low24 Ų2491.1 Ų91.115%0.14543%0.432CS..Hα-helixtrans-68.5-36.6177.1168.20000111.6L550 V571 I572 Q573 S579L550-V575 HydrophobicContact CD1-CG1 3.71Å; L550-V575 HydrophobicContact CD1-CG2 4.21Å; L550-V575 HydrophobicContact CG-CG1 4.07Å; L550-V575 HydrophobicContact CG-CG2 4.43Å; V571-V575 WeakPolarHBondContact O-CB 3.22Å; V571-V575 WeakPolarHBondContact O-CG2 3.33Å; V571-V575 PolarHBondContact O-N 2.63Å; I572-V575 PolarHBondContact O-N 3.46Å; Q573-V575 PolarHBondContact O-N 3.4Å; V575-S579 WeakPolarHBondContact O-CB 3.28Å; V575-S579 PolarHBondContact O-N 2.78Å; V575-S579 PolarHBondContact O-OG 3.47Å
576V67.2Low68.1Low72 Ų7282.4 Ų82.444%0.43640%0.401SS..Hα-helixtrans-65.3-50.3175.2166.30000110.5I572 Q573 Q578 S579 K580I572-V576 HydrophobicContact CG2-CG2 4.37Å; I572-V576 WeakPolarHBondContact O-CB 3.11Å; I572-V576 VanDerWaalsContact O-CG2 3.26Å; I572-V576 WeakPolarHBondContact O-CG2 3.41Å; I572-V576 PolarHBondContact O-N 2.87Å; Q573-V576 PolarHBondContact O-N 3.13Å; V576-Q578 PolarHBondContact O-N 3.5Å; V576-S579 WeakPolarHBondContact CA-OG 3.16Å; V576-S579 PolarHBondContact O-N 2.92Å; V576-S579 VanDerWaalsContact O-N 3.16Å; V576-S579 PolarHBondContact O-OG 2.65Å; V576-K580 WeakPolarHBondContact O-CB 3.29Å; V576-K580 PolarHBondContact O-N 3.46Å
577E74.8Confident68.8Low76 Ų7685.3 Ų85.336%0.35541%0.413SS..Hα-helixtrans-62.6-44.8-178.9-148.169.9-124.800111.5Q573 S579 K580 E581Q573-E577 PolarHBondContact O-N 3.2Å; E577-S579 VanDerWaalsContact C-N 3.31Å; E577-S579 PolarHBondContact O-N 3.3Å; E577-K580 WeakPolarHBondContact O-CB 3.41Å; E577-K580 PolarHBondContact O-N 2.93Å; E577-K580 VanDerWaalsContact O-N 3.07Å; E577-K580 WeakPolarHBondContact OE1-CD 3.18Å; E577-K580 IonicContact OE1-NZ 3Å; E577-K580 PolarHBondContact OE1-NZ 2.61Å; E577-E581 WeakPolarHBondContact O-CG 3.5Å; E577-E581 PolarHBondContact O-N 2.78Å
578Q70.1Confident69.9Low128 Ų12888.1 Ų88.160%0.59842%0.417SS*.Hα-helixtrans-63.1-33.9175.2-73.9-178.6-2.600113.3Q574 V576 M582Q574-Q578 WeakPolarHBondContact O-CB 3.11Å; Q574-Q578 WeakPolarHBondContact O-CG 3.3Å; Q574-Q578 PolarHBondContact O-N 2.81Å; V576-Q578 PolarHBondContact O-N 3.5Å; Q578-M582 VanDerWaalsContact O-CB 3.3Å; Q578-M582 WeakPolarHBondContact O-CB 3.47Å; Q578-M582 PolarHBondContact O-N 3.28Å
579S66.6Low70.3Confident52 Ų5288.1 Ų88.136%0.36442%0.42SS..Hα-helixtrans-69.8-36.4173.464.80000112V575 V576 E577 T583V575-S579 WeakPolarHBondContact O-CB 3.28Å; V575-S579 PolarHBondContact O-N 2.78Å; V575-S579 PolarHBondContact O-OG 3.47Å; V576-S579 WeakPolarHBondContact CA-OG 3.16Å; V576-S579 PolarHBondContact O-N 2.92Å; V576-S579 VanDerWaalsContact O-N 3.16Å; V576-S579 PolarHBondContact O-OG 2.65Å; E577-S579 VanDerWaalsContact C-N 3.31Å; E577-S579 PolarHBondContact O-N 3.3Å; S579-T583 PolarHBondContact O-N 3.03Å; S579-T583 PolarHBondContact O-OG1 2.97Å; S579-T583 VanDerWaalsContact O-OG1 3.09Å
580K74.1Confident70.9Confident87 Ų8781.1 Ų81.138%0.37839%0.394SS..Hα-helixtrans-69.9-49.7-179.9172.2174.4160.5-69.60112V576 E577 M582 T583 E584V576-K580 WeakPolarHBondContact O-CB 3.29Å; V576-K580 PolarHBondContact O-N 3.46Å; E577-K580 WeakPolarHBondContact O-CB 3.41Å; E577-K580 PolarHBondContact O-N 2.93Å; E577-K580 VanDerWaalsContact O-N 3.07Å; E577-K580 WeakPolarHBondContact OE1-CD 3.18Å; E577-K580 IonicContact OE1-NZ 3Å; E577-K580 PolarHBondContact OE1-NZ 2.61Å; K580-M582 VanDerWaalsContact C-N 3.25Å; K580-M582 PolarHBondContact O-N 3.2Å; K580-T583 WeakPolarHBondContact CA-OG1 3.44Å; K580-T583 PolarHBondContact O-N 3.29Å; K580-T583 PolarHBondContact O-OG1 3.46Å; K580-E584 WeakPolarHBondContact CE-OE1 3.49Å; K580-E584 HydrophobicContact CG-CG 4.48Å; K580-E584 WeakPolarHBondContact CG-OE1 3.33Å; K580-E584 IonicContact NZ-OE1 2.71Å; K580-E584 PolarHBondContact NZ-OE1 2.94Å; K580-E584 WeakPolarHBondContact O-CB 3.36Å; K580-E584 VanDerWaalsContact O-CG 3.32Å; K580-E584 WeakPolarHBondContact O-CG 3.24Å; K580-E584 PolarHBondContact O-N 2.83Å
581E76.9Confident71.4Confident116 Ų11679 Ų7954%0.54238%0.382SS..Hα-helixtrans-52-45.4172.6-71.5173160.800111.4E577 E584 E585E577-E581 WeakPolarHBondContact O-CG 3.5Å; E577-E581 PolarHBondContact O-N 2.78Å; E581-E584 PolarHBondContact O-N 3.36Å; E581-E585 PolarHBondContact O-N 3.44Å
582M69.9Low71.8Confident76 Ų7681.3 Ų81.337%0.37440%0.4SS..Hα-helixtrans-70.7-35.6-178.8-175.2172.244.800112.9L514 Q578 K580 A586L514-M582 HydrophobicContact CD1-CG 3.94Å; L514-M582 HydrophobicContact CD2-CE 3.71Å; L514-M582 HydrophobicContact CD2-CG 3.67Å; L514-M582 HydrophobicContact CD2-SD 3.5Å; L514-M582 VanDerWaalsContact CD2-SD 3.5Å; L514-M582 HydrophobicContact CG-CG 4.44Å; Q578-M582 VanDerWaalsContact O-CB 3.3Å; Q578-M582 WeakPolarHBondContact O-CB 3.47Å; Q578-M582 PolarHBondContact O-N 3.28Å; K580-M582 VanDerWaalsContact C-N 3.25Å; K580-M582 PolarHBondContact O-N 3.2Å; M582-A586 PolarHBondContact O-N 3.25Å
583T71Confident72.3Confident33 Ų3382 Ų8220%0.20240%0.402CS..Hα-helixtrans-70.2-39.5170.245.30000112.4L514 S579 K580 E585 A586 E587L514-T583 HydrophobicContact CB-CG2 3.92Å; S579-T583 PolarHBondContact O-N 3.03Å; S579-T583 PolarHBondContact O-OG1 2.97Å; S579-T583 VanDerWaalsContact O-OG1 3.09Å; K580-T583 WeakPolarHBondContact CA-OG1 3.44Å; K580-T583 PolarHBondContact O-N 3.29Å; K580-T583 PolarHBondContact O-OG1 3.46Å; T583-E585 VanDerWaalsContact C-N 3.33Å; T583-E585 PolarHBondContact O-N 3.01Å; T583-A586 PolarHBondContact O-N 3.29Å; T583-E587 WeakPolarHBondContact O-CB 3.33Å; T583-E587 WeakPolarHBondContact O-CG 3.39Å; T583-E587 PolarHBondContact O-N 2.84Å
584E79.7Confident72.6Confident100 Ų10081.5 Ų81.547%0.46740%0.399SS..Hα-helixtrans-62.3-39.4176.5-74.2173.1-161.200111K580 E581 K588K580-E584 WeakPolarHBondContact CE-OE1 3.49Å; K580-E584 HydrophobicContact CG-CG 4.48Å; K580-E584 WeakPolarHBondContact CG-OE1 3.33Å; K580-E584 IonicContact NZ-OE1 2.71Å; K580-E584 PolarHBondContact NZ-OE1 2.94Å; K580-E584 WeakPolarHBondContact O-CB 3.36Å; K580-E584 VanDerWaalsContact O-CG 3.32Å; K580-E584 WeakPolarHBondContact O-CG 3.24Å; K580-E584 PolarHBondContact O-N 2.83Å; E581-E584 PolarHBondContact O-N 3.36Å; E584-K588 VanDerWaalsContact O-CB 3.24Å; E584-K588 WeakPolarHBondContact O-CB 3.29Å; E584-K588 PolarHBondContact O-N 3.02Å
585E79.2Confident73Confident105 Ų10581.4 Ų81.449%0.49140%0.399SS..Hα-helixtrans-65.3-44.2174-162.2-162.8144.100112.4E581 T583 K588 K589E581-E585 PolarHBondContact O-N 3.44Å; T583-E585 VanDerWaalsContact C-N 3.33Å; T583-E585 PolarHBondContact O-N 3.01Å; E585-K588 PolarHBondContact O-N 2.78Å; E585-K589 WeakPolarHBondContact O-CG 3.24Å; E585-K589 PolarHBondContact O-N 2.87Å; E585-K589 VanDerWaalsContact OE1-CE 3.28Å; E585-K589 WeakPolarHBondContact OE1-CE 3.47Å; E585-K589 IonicContact OE1-NZ 2.67Å; E585-K589 PolarHBondContact OE1-NZ 3.5Å
586A72Confident73.5Confident11 Ų1181.2 Ų81.29%0.09140%0.397CS..Hα-helixtrans-66.8-42.1178.700000112.3L511 L514 M582 T583 K589 H590L511-A586 HydrophobicContact CB-CB 4.38Å; L511-A586 HydrophobicContact CD1-CB 4.14Å; L514-A586 HydrophobicContact CD1-CB 3.56Å; M582-A586 PolarHBondContact O-N 3.25Å; T583-A586 PolarHBondContact O-N 3.29Å; A586-K589 PolarHBondContact O-N 3.32Å; A586-H590 WeakPolarHBondContact O-CB 3.27Å; A586-H590 PolarHBondContact O-N 3.35Å
587E73.3Confident73.6Confident77 Ų7782.7 Ų82.736%0.3640%0.402SS..Hα-helixtrans-60.7-45.1171.7-80.4-166.5-152.400111.9L511 T583 K589 H590 K591L511-E587 HydrophobicContact CD1-CG 3.66Å; L511-E587 HydrophobicContact CD2-CG 4.09Å; T583-E587 WeakPolarHBondContact O-CB 3.33Å; T583-E587 WeakPolarHBondContact O-CG 3.39Å; T583-E587 PolarHBondContact O-N 2.84Å; E587-K589 VanDerWaalsContact C-N 3.32Å; E587-K589 PolarHBondContact O-N 3.37Å; E587-H590 PolarHBondContact O-N 2.83Å; E587-K591 WeakPolarHBondContact O-CB 3.37Å; E587-K591 WeakPolarHBondContact O-CD 3.37Å; E587-K591 VanDerWaalsContact O-CG 3.25Å; E587-K591 WeakPolarHBondContact O-CG 3.31Å; E587-K591 PolarHBondContact O-N 3.36Å; E587-K591 IonicContact OE2-NZ 2.73Å; E587-K591 PolarHBondContact OE2-NZ 3.39Å
588K78.6Confident73.9Confident156 Ų15683.1 Ų83.168%0.67840%0.4SS*.Hα-helixtrans-60.4-42.4178.7-176.6177.8179.3-179.50111.3E584 E585 S592E584-K588 VanDerWaalsContact O-CB 3.24Å; E584-K588 WeakPolarHBondContact O-CB 3.29Å; E584-K588 PolarHBondContact O-N 3.02Å; E585-K588 PolarHBondContact O-N 2.78Å; K588-S592 WeakPolarHBondContact O-CB 3.47Å; K588-S592 PolarHBondContact O-N 2.98Å
589K71Confident74.5Confident106 Ų10677.3 Ų77.346%0.46137%0.373SS..Hα-helixtrans-63-48173.5-76.7169.2168172.40111.8E585 A586 E587 K591 S592 F593E585-K589 WeakPolarHBondContact O-CG 3.24Å; E585-K589 PolarHBondContact O-N 2.87Å; E585-K589 VanDerWaalsContact OE1-CE 3.28Å; E585-K589 WeakPolarHBondContact OE1-CE 3.47Å; E585-K589 IonicContact OE1-NZ 2.67Å; E585-K589 PolarHBondContact OE1-NZ 3.5Å; A586-K589 PolarHBondContact O-N 3.32Å; E587-K589 VanDerWaalsContact C-N 3.32Å; E587-K589 PolarHBondContact O-N 3.37Å; K589-K591 PolarHBondContact O-N 3.25Å; K589-S592 WeakPolarHBondContact O-CB 3.26Å; K589-S592 PolarHBondContact O-N 3.19Å; K589-F593 WeakPolarHBondContact O-CD2 3.49Å; K589-F593 PolarHBondContact O-N 2.95Å
590H71.4Confident74.9Confident28 Ų2876.8 Ų76.813%0.1337%0.365CS..Hα-helixtrans-61.2-43.9178.9-173.766.9000112.3Y504 L511 A586 E587 F593 Q594Y504-H590 AromaticContact CE2-CE1 3.35Å; Y504-H590 WeakPolarHBondContact CE2-CE1 3.47Å; Y504-H590 AromaticContact CE2-ND1 3.7Å; Y504-H590 AromaticContact CZ-CE1 3.63Å; L511-H590 HydrophobicContact CD2-CB 4.34Å; A586-H590 WeakPolarHBondContact O-CB 3.27Å; A586-H590 PolarHBondContact O-N 3.35Å; E587-H590 PolarHBondContact O-N 2.83Å; H590-F593 PolarHBondContact O-N 3.3Å; H590-Q594 PolarHBondContact CD2-NE2 2.84Å; H590-Q594 VanDerWaalsContact CD2-NE2 3.34Å; H590-Q594 PolarHBondContact NE2-NE2 3.33Å; H590-Q594 WeakPolarHBondContact O-CG 3.36Å; H590-Q594 PolarHBondContact O-N 3.36Å
591K74.8Confident75Confident108 Ų10876.6 Ų76.647%0.4737%0.366SS..Hα-helixtrans-60.2-44.7173.5-72.1160.6178.1165.40111.4E587 K589 F593 Q594 E595E587-K591 WeakPolarHBondContact O-CB 3.37Å; E587-K591 WeakPolarHBondContact O-CD 3.37Å; E587-K591 VanDerWaalsContact O-CG 3.25Å; E587-K591 WeakPolarHBondContact O-CG 3.31Å; E587-K591 PolarHBondContact O-N 3.36Å; E587-K591 IonicContact OE2-NZ 2.73Å; E587-K591 PolarHBondContact OE2-NZ 3.39Å; K589-K591 PolarHBondContact O-N 3.25Å; K591-F593 VanDerWaalsContact C-N 3.34Å; K591-F593 PolarHBondContact O-N 2.92Å; K591-Q594 PolarHBondContact O-N 2.92Å; K591-E595 PolarHBondContact O-N 3.48Å
592S73.5Confident75.1Confident80 Ų8072.1 Ų72.156%0.55934%0.344SS*.Hα-helixtrans-60.5-38.9175.8-164.60000113.1K588 K589 L596K588-S592 WeakPolarHBondContact O-CB 3.47Å; K588-S592 PolarHBondContact O-N 2.98Å; K589-S592 WeakPolarHBondContact O-CB 3.26Å; K589-S592 PolarHBondContact O-N 3.19Å; S592-L596 PolarHBondContact O-N 3.37Å; S592-L596 VanDerWaalsContact O-N 3.1Å
593F73.4Confident75.5Confident55 Ų5571.2 Ų71.224%0.24134%0.337CS..Hα-helixtrans-71-37.3175.4-75.9-62.1000112.7V500 A503 Y504 A507 K589 H590 K591 E595 L596 D597V500-F593 HydrophobicContact CG1-CD1 4.31Å; A503-F593 HydrophobicContact CB-CE1 3.86Å; A503-F593 HydrophobicContact CB-CE2 4.22Å; A503-F593 HydrophobicContact CB-CZ 3.59Å; Y504-F593 HydrophobicContact CD2-CB 3.99Å; A507-F593 HydrophobicContact CB-CD2 3.99Å; A507-F593 HydrophobicContact CB-CE2 4.19Å; K589-F593 WeakPolarHBondContact O-CD2 3.49Å; K589-F593 PolarHBondContact O-N 2.95Å; H590-F593 PolarHBondContact O-N 3.3Å; K591-F593 VanDerWaalsContact C-N 3.34Å; K591-F593 PolarHBondContact O-N 2.92Å; F593-E595 VanDerWaalsContact C-N 3.33Å; F593-E595 PolarHBondContact O-N 2.87Å; F593-L596 PolarHBondContact O-N 3.03Å; F593-D597 PolarHBondContact O-N 2.61Å
594Q71.8Confident75.6Confident93 Ų9373.5 Ų73.544%0.43535%0.351SS..Hα-helixtrans-62.1-39.3172.9-70.3-178.28.600112.1Y504 H590 K591 R598Y504-Q594 HydrophobicContact CE2-CG 3.93Å; H590-Q594 PolarHBondContact CD2-NE2 2.84Å; H590-Q594 VanDerWaalsContact CD2-NE2 3.34Å; H590-Q594 PolarHBondContact NE2-NE2 3.33Å; H590-Q594 WeakPolarHBondContact O-CG 3.36Å; H590-Q594 PolarHBondContact O-N 3.36Å; K591-Q594 PolarHBondContact O-N 2.92Å; Q594-R598 VanDerWaalsContact O-CB 3.3Å; Q594-R598 WeakPolarHBondContact O-CB 3.23Å; Q594-R598 PolarHBondContact O-N 3.41Å
595E78.4Confident75.6Confident127 Ų12773.2 Ų73.259%0.59335%0.345SS*.Hα-helixtrans-67.7-35.8175.7-72.9-175.9-164.900112.5K591 F593 F599K591-E595 PolarHBondContact O-N 3.48Å; F593-E595 VanDerWaalsContact C-N 3.33Å; F593-E595 PolarHBondContact O-N 2.87Å; E595-F599 WeakPolarHBondContact O-CB 3.18Å; E595-F599 PolarHBondContact O-N 2.96Å
596L75.3Confident75.8Confident20 Ų2068.4 Ų68.411%0.10532%0.323CS..Hα-helixtrans-68.9-45.3175.3-178.359.4000112.4M492 V500 S592 F593 F599 M600M492-L596 HydrophobicContact CE-CD1 3.96Å; M492-L596 HydrophobicContact SD-CD1 3.73Å; V500-L596 HydrophobicContact CG1-CD2 4.15Å; V500-L596 HydrophobicContact CG1-CG 4.45Å; V500-L596 HydrophobicContact CG2-CD2 3.69Å; V500-L596 HydrophobicContact CG2-CG 4.42Å; S592-L596 PolarHBondContact O-N 3.37Å; S592-L596 VanDerWaalsContact O-N 3.1Å; F593-L596 PolarHBondContact O-N 3.03Å; L596-F599 PolarHBondContact O-N 2.81Å; L596-M600 HydrophobicContact CD1-CG 4.46Å; L596-M600 WeakPolarHBondContact O-CB 3.47Å; L596-M600 WeakPolarHBondContact O-CG 3.27Å; L596-M600 PolarHBondContact O-N 3.19Å
597D70.6Confident76.1Confident102 Ų10271.6 Ų71.655%0.54534%0.335SS..Hα-helixtrans-61.8-44.8174.8178.965000111.4F593 F599 M600 H601F593-D597 PolarHBondContact O-N 2.61Å; D597-F599 VanDerWaalsContact C-N 3.33Å; D597-F599 PolarHBondContact O-N 3.35Å; D597-M600 PolarHBondContact O-N 3.25Å; D597-H601 WeakPolarHBondContact O-CB 3.36Å; D597-H601 PolarHBondContact O-N 3.32Å
598R80.4Confident76.2Confident85 Ų8571.6 Ų71.632%0.32134%0.337SS..Hα-helixtrans-55.5-46.9171.5180-173.9171.5165.20.2111.2Q594 H601 Y602 F669Q594-R598 VanDerWaalsContact O-CB 3.3Å; Q594-R598 WeakPolarHBondContact O-CB 3.23Å; Q594-R598 PolarHBondContact O-N 3.41Å; R598-H601 PolarHBondContact O-N 3.13Å; R598-Y602 HydrophobicContact CG-CD2 4.39Å; R598-Y602 HydrophobicContact CG-CE2 4.29Å; R598-Y602 WeakPolarHBondContact O-CD2 3.17Å; R598-Y602 PolarHBondContact O-N 2.85Å; R598-F669 HydrophobicContact CG-CD2 4.09Å; R598-F669 HydrophobicContact CG-CE2 3.91Å; R598-F669 PolarHBondContact NH2-O 3.42Å
599F82.4Confident76.3Confident6 Ų664.1 Ų64.13%0.02631%0.305CS..Hα-helixtrans-60.6-48.5177174.3-99.5000111.4W485 K488 V489 M492 E595 L596 D597 H601 Y602 Y603 F669W485-F599 HydrophobicContact CE3-CE2 4.28Å; W485-F599 AromaticContact CH2-CD2 3.95Å; W485-F599 HydrophobicContact CH2-CD2 3.95Å; W485-F599 AromaticContact CH2-CE2 3.63Å; W485-F599 HydrophobicContact CH2-CE2 3.63Å; W485-F599 HydrophobicContact CH2-CZ 4.43Å; W485-F599 HydrophobicContact CZ2-CE2 4.27Å; W485-F599 AromaticContact CZ3-CD2 3.79Å; W485-F599 HydrophobicContact CZ3-CD2 3.79Å; W485-F599 AromaticContact CZ3-CE2 3.64Å; W485-F599 HydrophobicContact CZ3-CE2 3.64Å; K488-F599 HydrophobicContact CB-CE2 4.19Å; V489-F599 HydrophobicContact CG2-CE2 4.32Å; V489-F599 HydrophobicContact CG2-CZ 4.02Å; M492-F599 HydrophobicContact CB-CE1 4.14Å; M492-F599 HydrophobicContact CE-CD1 4.06Å; M492-F599 HydrophobicContact CE-CG 4.2Å; M492-F599 HydrophobicContact CG-CD1 4.11Å; M492-F599 HydrophobicContact CG-CE1 3.66Å; M492-F599 HydrophobicContact CG-CZ 4.02Å; M492-F599 HydrophobicContact SD-CD1 4.33Å; M492-F599 HydrophobicContact SD-CE1 4.42Å; E595-F599 WeakPolarHBondContact O-CB 3.18Å; E595-F599 PolarHBondContact O-N 2.96Å; L596-F599 PolarHBondContact O-N 2.81Å; D597-F599 VanDerWaalsContact C-N 3.33Å; D597-F599 PolarHBondContact O-N 3.35Å; F599-H601 VanDerWaalsContact C-N 3.3Å; F599-H601 PolarHBondContact O-N 3.44Å; F599-Y602 PolarHBondContact O-N 2.82Å; F599-Y603 HydrophobicContact CE1-CD1 4.45Å; F599-Y603 HydrophobicContact CE1-CD2 4.41Å; F599-Y603 HydrophobicContact CE1-CG 4.04Å; F599-Y603 HydrophobicContact CZ-CD2 4.02Å; F599-Y603 HydrophobicContact CZ-CG 4.07Å; F599-Y603 VanDerWaalsContact O-CB 3.24Å; F599-Y603 WeakPolarHBondContact O-CB 3.27Å; F599-Y603 PolarHBondContact O-N 3.07Å; F599-F669 HydrophobicContact CB-CE2 4.13Å; F599-F669 HydrophobicContact CD2-CE2 4.46Å; F599-F669 HydrophobicContact CD2-CZ 4.42Å
600M75.8Confident76.8Confident41 Ų4160.9 Ų60.920%0.20229%0.291CS..Hα-helixtrans-59.9-36.9178.9-75.8-57-6100113.2L497 L596 D597 Y603 T604L497-M600 HydrophobicContact CD1-SD 4.44Å; L497-M600 HydrophobicContact CD2-CE 3.59Å; L497-M600 HydrophobicContact CD2-SD 3.68Å; L497-M600 HydrophobicContact CG-CE 4.05Å; L497-M600 HydrophobicContact CG-SD 3.79Å; L596-M600 HydrophobicContact CD1-CG 4.46Å; L596-M600 WeakPolarHBondContact O-CB 3.47Å; L596-M600 WeakPolarHBondContact O-CG 3.27Å; L596-M600 PolarHBondContact O-N 3.19Å; D597-M600 PolarHBondContact O-N 3.25Å; M600-Y603 PolarHBondContact O-N 2.9Å; M600-Y603 HydrophobicContact SD-CD1 4.27Å; M600-T604 VanDerWaalsContact O-CB 3.29Å; M600-T604 WeakPolarHBondContact O-CB 3.29Å; M600-T604 PolarHBondContact O-N 3.03Å; M600-T604 PolarHBondContact O-OG1 3.21Å
601H74.7Confident77Confident84 Ų8463.7 Ų63.739%0.38930%0.304SS..Hα-helixtrans-59-46.7176.1-177.4110.8000112.6D597 R598 F599 R605D597-H601 WeakPolarHBondContact O-CB 3.36Å; D597-H601 PolarHBondContact O-N 3.32Å; R598-H601 PolarHBondContact O-N 3.13Å; F599-H601 VanDerWaalsContact C-N 3.3Å; F599-H601 PolarHBondContact O-N 3.44Å; H601-R605 PolarHBondContact CD2-NH1 3.17Å; H601-R605 PolarHBondContact CE1-NH1 3.29Å; H601-R605 PolarHBondContact ND1-NH1 3.37Å; H601-R605 VanDerWaalsContact NE2-CZ 3.32Å; H601-R605 PolarHBondContact NE2-NH1 3.41Å; H601-R605 PolarHBondContact O-NH1 3Å
602Y79.3Confident77.3Confident21 Ų2159.5 Ų59.58%0.08229%0.288CS..Hα-helixtrans-80.1-36.9178.7-71.1-85.8000111.5R598 F599 R605 F606 Y665 F669 K678 E682R598-Y602 HydrophobicContact CG-CD2 4.39Å; R598-Y602 HydrophobicContact CG-CE2 4.29Å; R598-Y602 WeakPolarHBondContact O-CD2 3.17Å; R598-Y602 PolarHBondContact O-N 2.85Å; F599-Y602 PolarHBondContact O-N 2.82Å; Y602-R605 PolarHBondContact O-N 3.02Å; Y602-F606 WeakPolarHBondContact O-CB 3.27Å; Y602-F606 PolarHBondContact O-N 3.12Å; Y602-Y665 HydrophobicContact CD1-CD1 4.06Å; Y602-Y665 HydrophobicContact CD1-CG 4.49Å; Y602-Y665 VanDerWaalsContact CD1-O 3.25Å; Y602-Y665 WeakPolarHBondContact CD1-O 3.46Å; Y602-F669 HydrophobicContact CD1-CB 4.28Å; Y602-F669 HydrophobicContact CD2-CB 4.03Å; Y602-F669 AromaticContact CD2-CD2 3.8Å; Y602-F669 HydrophobicContact CD2-CD2 3.8Å; Y602-F669 HydrophobicContact CD2-CG 4.42Å; Y602-F669 HydrophobicContact CE2-CD2 4.46Å; Y602-F669 HydrophobicContact CG-CB 3.9Å; Y602-F669 HydrophobicContact CG-CD2 4.32Å; Y602-K678 WeakPolarHBondContact OH-CE 3.46Å; Y602-K678 PolarHBondContact OH-NZ 2.96Å; Y602-E682 PolarHBondContact OH-OE1 3.42Å
603Y79.3Confident77.9Confident58 Ų5857.8 Ų57.823%0.22727%0.27CS..Hα-helixtrans-64.3-41.3178.7179.2-109.2000113.1W485 V489 F599 M600 R605 F606 K607W485-Y603 HydrophobicContact CZ2-CD2 4.01Å; V489-Y603 HydrophobicContact CB-CE2 4.49Å; V489-Y603 HydrophobicContact CG1-CE2 3.84Å; V489-Y603 HydrophobicContact CG2-CD2 3.88Å; V489-Y603 HydrophobicContact CG2-CE2 3.86Å; F599-Y603 HydrophobicContact CE1-CD1 4.45Å; F599-Y603 HydrophobicContact CE1-CD2 4.41Å; F599-Y603 HydrophobicContact CE1-CG 4.04Å; F599-Y603 HydrophobicContact CZ-CD2 4.02Å; F599-Y603 HydrophobicContact CZ-CG 4.07Å; F599-Y603 VanDerWaalsContact O-CB 3.24Å; F599-Y603 WeakPolarHBondContact O-CB 3.27Å; F599-Y603 PolarHBondContact O-N 3.07Å; M600-Y603 PolarHBondContact O-N 2.9Å; M600-Y603 HydrophobicContact SD-CD1 4.27Å; Y603-R605 VanDerWaalsContact C-N 3.3Å; Y603-R605 PolarHBondContact O-N 3.31Å; Y603-F606 HydrophobicContact CD2-CD1 4.19Å; Y603-F606 HydrophobicContact CE2-CD1 4.33Å; Y603-F606 WeakPolarHBondContact O-CB 3.18Å; Y603-F606 PolarHBondContact O-N 3.29Å; Y603-K607 HydrophobicContact CD2-CG 4.36Å; Y603-K607 HydrophobicContact CE1-CG 4.09Å; Y603-K607 HydrophobicContact CE2-CD 4.33Å; Y603-K607 HydrophobicContact CE2-CG 3.85Å; Y603-K607 PolarHBondContact O-N 3.46Å; Y603-K607 WeakPolarHBondContact OH-CE 3.26Å
604T72.1Confident78.4Confident80 Ų8059 Ų5949%0.49128%0.277SS..Hα-helixtrans-63.2-37.3177.2-54.90000111.4M600 N608M600-T604 VanDerWaalsContact O-CB 3.29Å; M600-T604 WeakPolarHBondContact O-CB 3.29Å; M600-T604 PolarHBondContact O-N 3.03Å; M600-T604 PolarHBondContact O-OG1 3.21Å; T604-N608 WeakPolarHBondContact O-CB 3.41Å; T604-N608 PolarHBondContact O-N 3.39Å
605R81.1Confident78.7Confident94 Ų9458 Ų5836%0.35527%0.274SS..Hα-helixtrans-73.8-42.3177.1-70.3175.2175.671.5-2.1112.5H601 Y602 Y603 K607 N608 H609 Y665H601-R605 PolarHBondContact CD2-NH1 3.17Å; H601-R605 PolarHBondContact CE1-NH1 3.29Å; H601-R605 PolarHBondContact ND1-NH1 3.37Å; H601-R605 VanDerWaalsContact NE2-CZ 3.32Å; H601-R605 PolarHBondContact NE2-NH1 3.41Å; H601-R605 PolarHBondContact O-NH1 3Å; Y602-R605 PolarHBondContact O-N 3.02Å; Y603-R605 VanDerWaalsContact C-N 3.3Å; Y603-R605 PolarHBondContact O-N 3.31Å; R605-K607 VanDerWaalsContact C-N 3.31Å; R605-K607 PolarHBondContact O-N 3.46Å; R605-N608 PolarHBondContact O-N 2.95Å; R605-H609 PolarHBondContact O-CD2 3.4Å; R605-H609 PolarHBondContact O-N 3.34Å; R605-Y665 HydrophobicContact CB-CD1 3.77Å; R605-Y665 HydrophobicContact CB-CD2 3.9Å; R605-Y665 HydrophobicContact CB-CE1 3.84Å; R605-Y665 HydrophobicContact CB-CE2 3.97Å; R605-Y665 HydrophobicContact CB-CG 3.81Å; R605-Y665 VanDerWaalsContact CD-CE1 3.47Å; R605-Y665 HydrophobicContact CG-CD1 4.43Å; R605-Y665 HydrophobicContact CG-CE1 4.23Å
606F81.9Confident79Confident5 Ų552.4 Ų52.42%0.02225%0.248CC..Hα-helixtrans-52-48.5169.3168.7-93.7000111.4W482 W485 Y602 Y603 E610 K662 P666W482-F606 AromaticContact CH2-CE2 3.74Å; W482-F606 HydrophobicContact CH2-CE2 3.74Å; W482-F606 HydrophobicContact CH2-CZ 4.09Å; W482-F606 AromaticContact CZ3-CE2 3.78Å; W482-F606 HydrophobicContact CZ3-CE2 3.78Å; W482-F606 HydrophobicContact CZ3-CZ 4.47Å; W485-F606 HydrophobicContact CZ2-CB 4.16Å; W485-F606 HydrophobicContact CZ2-CD1 4.35Å; W485-F606 HydrophobicContact CZ2-CG 4.11Å; W485-F606 AromaticContact NE1-CD1 3.92Å; W485-F606 AromaticContact NE1-CD2 3.61Å; W485-F606 AromaticContact NE1-CE1 3.82Å; W485-F606 AromaticContact NE1-CE2 3.51Å; W485-F606 AromaticContact NE1-CG 3.83Å; W485-F606 AromaticContact NE1-CZ 3.63Å; Y602-F606 WeakPolarHBondContact O-CB 3.27Å; Y602-F606 PolarHBondContact O-N 3.12Å; Y603-F606 HydrophobicContact CD2-CD1 4.19Å; Y603-F606 HydrophobicContact CE2-CD1 4.33Å; Y603-F606 WeakPolarHBondContact O-CB 3.18Å; Y603-F606 PolarHBondContact O-N 3.29Å; F606-E610 WeakPolarHBondContact O-CB 3.25Å; F606-E610 PolarHBondContact O-N 3.11Å; F606-K662 HydrophobicContact CD2-CG 3.73Å; F606-K662 WeakPolarHBondContact CD2-O 3.3Å; F606-K662 HydrophobicContact CE2-CD 4.18Å; F606-K662 HydrophobicContact CE2-CG 3.69Å; F606-P666 HydrophobicContact CD2-CG 3.68Å; F606-P666 HydrophobicContact CE2-CG 4.13Å
607K78.9Confident79.6Confident77 Ų7756.4 Ų56.434%0.33527%0.266SS..Hα-helixtrans-70.5-32.1176.8-73-58.1-175.4-179.40114.1Y603 R605 E610 H611Y603-K607 HydrophobicContact CD2-CG 4.36Å; Y603-K607 HydrophobicContact CE1-CG 4.09Å; Y603-K607 HydrophobicContact CE2-CD 4.33Å; Y603-K607 HydrophobicContact CE2-CG 3.85Å; Y603-K607 PolarHBondContact O-N 3.46Å; Y603-K607 WeakPolarHBondContact OH-CE 3.26Å; R605-K607 VanDerWaalsContact C-N 3.31Å; R605-K607 PolarHBondContact O-N 3.46Å; K607-E610 VanDerWaalsContact CD-OE2 3.24Å; K607-E610 WeakPolarHBondContact CD-OE2 3.43Å; K607-E610 WeakPolarHBondContact CE-OE2 3.46Å; K607-E610 IonicContact NZ-OE2 3.59Å; K607-E610 PolarHBondContact NZ-OE2 3.4Å; K607-H611 WeakPolarHBondContact O-CB 3.39Å; K607-H611 PolarHBondContact O-N 2.91Å
608N75.8Confident80.3Confident77 Ų7759.1 Ų59.141%0.41227%0.268SS..Hα-helixtrans-64.2-51.9174.2-169.240.4000111.3T604 R605 E610 H611 S612T604-N608 WeakPolarHBondContact O-CB 3.41Å; T604-N608 PolarHBondContact O-N 3.39Å; R605-N608 PolarHBondContact O-N 2.95Å; N608-E610 VanDerWaalsContact C-N 3.32Å; N608-E610 PolarHBondContact O-N 3.2Å; N608-H611 PolarHBondContact O-N 3.01Å; N608-H611 VanDerWaalsContact O-N 3.1Å; N608-S612 PolarHBondContact O-N 3.15Å; N608-S612 PolarHBondContact O-OG 2.97Å
609H80Confident80.4Confident0 Ų056.8 Ų56.80%026%0.262CS..Hα-helixtrans-67.2-30.7178.5-76.4-80.2000112.8R605 Y613 R658 K662 Y665 E689 E693R605-H609 PolarHBondContact O-CD2 3.4Å; R605-H609 PolarHBondContact O-N 3.34Å; H609-Y613 VanDerWaalsContact O-CB 3.32Å; H609-Y613 WeakPolarHBondContact O-CB 3.22Å; H609-Y613 PolarHBondContact O-N 3.37Å; H609-R658 PolarHBondContact CE1-NH1 2.77Å; H609-R658 VanDerWaalsContact CE1-NH1 3.3Å; H609-R658 PolarHBondContact ND1-NH1 2.68Å; H609-R658 VanDerWaalsContact ND1-NH1 3.18Å; H609-K662 HydrophobicContact CB-CB 4.2Å; H609-Y665 AromaticContact CD2-CE2 3.4Å; H609-Y665 VanDerWaalsContact CD2-CE2 3.4Å; H609-Y665 WeakPolarHBondContact CD2-CE2 3.41Å; H609-Y665 AromaticContact NE2-CE2 3.81Å; H609-Y665 AromaticContact NE2-CZ 3.99Å; H609-Y665 PolarHBondContact NE2-OH 3.03Å; H609-E689 IonicContact CE1-OE1 2.91Å; H609-E689 PolarHBondContact CE1-OE1 3.16Å; H609-E689 IonicContact NE2-OE1 3.33Å; H609-E689 PolarHBondContact NE2-OE1 3.46Å; H609-E693 IonicContact CE1-OE1 3.63Å
610E81.3Confident80.4Confident37 Ų3758.6 Ų58.617%0.17327%0.272CS..Hα-helixtrans-62.9-40.9168.7179.6164.5-97.500112.7F606 K607 N608 Q614 K662F606-E610 WeakPolarHBondContact O-CB 3.25Å; F606-E610 PolarHBondContact O-N 3.11Å; K607-E610 VanDerWaalsContact CD-OE2 3.24Å; K607-E610 WeakPolarHBondContact CD-OE2 3.43Å; K607-E610 WeakPolarHBondContact CE-OE2 3.46Å; K607-E610 IonicContact NZ-OE2 3.59Å; K607-E610 PolarHBondContact NZ-OE2 3.4Å; N608-E610 VanDerWaalsContact C-N 3.32Å; N608-E610 PolarHBondContact O-N 3.2Å; E610-Q614 WeakPolarHBondContact O-CG 3.39Å; E610-Q614 PolarHBondContact O-N 3.41Å; E610-K662 HydrophobicContact CB-CD 4.09Å; E610-K662 VanDerWaalsContact OE1-CE 3.31Å; E610-K662 WeakPolarHBondContact OE1-CE 3.49Å; E610-K662 IonicContact OE1-NZ 2.79Å; E610-K662 PolarHBondContact OE1-NZ 3.47Å
611H75.8Confident80.9Confident87 Ų8763.1 Ų63.140%0.40329%0.29SS..Hα-helixtrans-70.3-43175.8-178.2-106.4000112.1K607 N608 Y613 Q614 L615K607-H611 WeakPolarHBondContact O-CB 3.39Å; K607-H611 PolarHBondContact O-N 2.91Å; N608-H611 PolarHBondContact O-N 3.01Å; N608-H611 VanDerWaalsContact O-N 3.1Å; H611-Y613 VanDerWaalsContact C-N 3.35Å; H611-Y613 PolarHBondContact O-N 3.31Å; H611-Q614 PolarHBondContact O-N 2.91Å; H611-Q614 VanDerWaalsContact O-N 3.12Å; H611-L615 PolarHBondContact O-N 3.2Å
612S81.9Confident81.4Confident20 Ų2062.7 Ų62.714%0.1429%0.294CS..Hα-helixtrans-58.6-45174.5-60.90000111.7N608 Q614 L615 E616N608-S612 PolarHBondContact O-N 3.15Å; N608-S612 PolarHBondContact O-OG 2.97Å; S612-Q614 VanDerWaalsContact C-N 3.32Å; S612-Q614 PolarHBondContact O-N 3.03Å; S612-L615 PolarHBondContact O-N 3.11Å; S612-L615 VanDerWaalsContact O-N 3.12Å; S612-E616 WeakPolarHBondContact O-CB 3.25Å; S612-E616 WeakPolarHBondContact O-CG 3.42Å; S612-E616 PolarHBondContact O-N 2.77Å
613Y86Confident81.6Confident44 Ų4462.5 Ų62.517%0.17330%0.296CS..Hα-helixtrans-55.8-43.9173.2178.2-83.8000112H609 H611 L615 E616 Q617 L655 R658 R659H609-Y613 VanDerWaalsContact O-CB 3.32Å; H609-Y613 WeakPolarHBondContact O-CB 3.22Å; H609-Y613 PolarHBondContact O-N 3.37Å; H611-Y613 VanDerWaalsContact C-N 3.35Å; H611-Y613 PolarHBondContact O-N 3.31Å; Y613-L615 VanDerWaalsContact C-N 3.32Å; Y613-L615 PolarHBondContact O-N 3.5Å; Y613-E616 PolarHBondContact O-N 3.05Å; Y613-Q617 VanDerWaalsContact O-CB 3.22Å; Y613-Q617 WeakPolarHBondContact O-CB 3.35Å; Y613-Q617 PolarHBondContact O-N 2.8Å; Y613-L655 HydrophobicContact CD2-CB 4.43Å; Y613-L655 HydrophobicContact CD2-CD2 3.62Å; Y613-L655 HydrophobicContact CE2-CB 4.01Å; Y613-L655 HydrophobicContact CE2-CD2 3.71Å; Y613-L655 HydrophobicContact CE2-CG 4.46Å; Y613-L655 WeakPolarHBondContact CE2-O 3.35Å; Y613-L655 HydrophobicContact CG-CD2 4.12Å; Y613-R658 HydrophobicContact CD2-CB 4.07Å; Y613-R659 HydrophobicContact CE2-CB 4.42Å
614Q83.1Confident81.9Confident81 Ų8164.6 Ų64.638%0.37931%0.307SS..Hα-helixtrans-67.5-27.9178.2-71.21763200114E610 H611 S612 R618E610-Q614 WeakPolarHBondContact O-CG 3.39Å; E610-Q614 PolarHBondContact O-N 3.41Å; H611-Q614 PolarHBondContact O-N 2.91Å; H611-Q614 VanDerWaalsContact O-N 3.12Å; S612-Q614 VanDerWaalsContact C-N 3.32Å; S612-Q614 PolarHBondContact O-N 3.03Å; Q614-R618 WeakPolarHBondContact O-CD 3.42Å; Q614-R618 WeakPolarHBondContact O-CG 3.44Å; Q614-R618 PolarHBondContact O-NE 2.98Å
615L79.4Confident82.5Confident73 Ų7364.9 Ų64.938%0.38230%0.303SS..Hα-helixtrans-74.9-50.6172-66.2177.3000110.5H611 S612 Y613 Q617 R618 L619H611-L615 PolarHBondContact O-N 3.2Å; S612-L615 PolarHBondContact O-N 3.11Å; S612-L615 VanDerWaalsContact O-N 3.12Å; Y613-L615 VanDerWaalsContact C-N 3.32Å; Y613-L615 PolarHBondContact O-N 3.5Å; L615-Q617 VanDerWaalsContact C-N 3.28Å; L615-Q617 PolarHBondContact O-N 3.01Å; L615-R618 WeakPolarHBondContact O-CB 3.42Å; L615-R618 PolarHBondContact O-N 3.36Å; L615-L619 PolarHBondContact O-N 3.21Å
616E84.8Confident82.6Confident8 Ų862.3 Ų62.34%0.03729%0.294CS..Hα-helixtrans-65.1-30.5-177.9-69.3166.4-175.500112.1S612 Y613 R618 L619 L620 L654 L655 R658S612-E616 WeakPolarHBondContact O-CB 3.25Å; S612-E616 WeakPolarHBondContact O-CG 3.42Å; S612-E616 PolarHBondContact O-N 2.77Å; Y613-E616 PolarHBondContact O-N 3.05Å; E616-R618 PolarHBondContact O-N 2.88Å; E616-L619 HydrophobicContact CB-CD1 4.49Å; E616-L619 HydrophobicContact CG-CD1 4.12Å; E616-L619 WeakPolarHBondContact O-CB 3.44Å; E616-L619 PolarHBondContact O-N 3.11Å; E616-L620 PolarHBondContact O-N 2.91Å; E616-L654 HydrophobicContact CG-CD2 4.14Å; E616-L654 WeakPolarHBondContact OE2-CG 3.41Å; E616-L655 HydrophobicContact CB-CD2 4.05Å; E616-R658 IonicContact OE1-CZ 3.64Å; E616-R658 IonicContact OE1-NE 3.52Å; E616-R658 PolarHBondContact OE1-NE 3.38Å; E616-R658 VanDerWaalsContact OE1-NE 3.1Å; E616-R658 IonicContact OE1-NH2 2.9Å; E616-R658 PolarHBondContact OE1-NH2 3.35Å; E616-R658 WeakPolarHBondContact OE2-CG 3.41Å; E616-R658 IonicContact OE2-CZ 2.75Å; E616-R658 IonicContact OE2-NE 3.75Å; E616-R658 PolarHBondContact OE2-NE 2.96Å; E616-R658 IonicContact OE2-NH2 3.23Å
617Q86.3Confident82.8Confident104 Ų10462.1 Ų62.149%0.48629%0.293SS..Hα-helixtrans-65.3-28.9173.3-168.8-179.725.700112.2Y613 L615 L655Y613-Q617 VanDerWaalsContact O-CB 3.22Å; Y613-Q617 WeakPolarHBondContact O-CB 3.35Å; Y613-Q617 PolarHBondContact O-N 2.8Å; L615-Q617 VanDerWaalsContact C-N 3.28Å; L615-Q617 PolarHBondContact O-N 3.01Å; Q617-L655 HydrophobicContact CB-CD2 4.05Å
618R85.6Confident83.1Confident159 Ų15963 Ų6360%0.630%0.298SS*.Hα-helixtrans-77.4-31.2172.8-60167.2-166.2164.38.2111.2Q614 L615 E616 L620 K621Q614-R618 WeakPolarHBondContact O-CD 3.42Å; Q614-R618 WeakPolarHBondContact O-CG 3.44Å; Q614-R618 PolarHBondContact O-NE 2.98Å; L615-R618 WeakPolarHBondContact O-CB 3.42Å; L615-R618 PolarHBondContact O-N 3.36Å; E616-R618 PolarHBondContact O-N 2.88Å; R618-L620 VanDerWaalsContact C-N 3.28Å; R618-L620 PolarHBondContact O-N 3.23Å; R618-K621 PolarHBondContact O-N 3.22Å
619L82.9Confident83.5Confident36 Ų3663.8 Ų63.819%0.18830%0.3CS..Hα-helixtrans-62.8-31.6176-61.2178.1000112.5L615 E616 K621 T622 A623 N700L615-L619 PolarHBondContact O-N 3.21Å; E616-L619 HydrophobicContact CB-CD1 4.49Å; E616-L619 HydrophobicContact CG-CD1 4.12Å; E616-L619 WeakPolarHBondContact O-CB 3.44Å; E616-L619 PolarHBondContact O-N 3.11Å; L619-K621 PolarHBondContact O-N 3.46Å; L619-T622 WeakPolarHBondContact CA-OG1 3.32Å; L619-T622 PolarHBondContact O-N 3.4Å; L619-T622 VanDerWaalsContact O-N 3.14Å; L619-T622 PolarHBondContact O-OG1 2.85Å; L619-A623 WeakPolarHBondContact O-CB 3.48Å; L619-A623 PolarHBondContact O-N 2.98Å; L619-N700 HydrophobicContact CD1-CB 3.79Å; L619-N700 VanDerWaalsContact CD1-CG 3.43Å; L619-N700 VanDerWaalsContact CD1-OD1 3.26Å; L619-N700 WeakPolarHBondContact CD1-OD1 3.16Å
620L83Confident83.7Confident45 Ų4563.8 Ų63.824%0.23630%0.3CS..Hα-helixtrans-51.6-44.3178.6-178.261.1000112.3E616 R618 K624 E648 V651 L652E616-L620 PolarHBondContact O-N 2.91Å; R618-L620 VanDerWaalsContact C-N 3.28Å; R618-L620 PolarHBondContact O-N 3.23Å; L620-K624 WeakPolarHBondContact O-CB 3.46Å; L620-K624 PolarHBondContact O-N 3.13Å; L620-E648 HydrophobicContact CD1-CB 4.05Å; L620-E648 HydrophobicContact CD1-CG 4.36Å; L620-V651 HydrophobicContact CB-CG1 3.75Å; L620-V651 HydrophobicContact CD1-CB 3.97Å; L620-V651 HydrophobicContact CD1-CG1 3.86Å; L620-V651 HydrophobicContact CG-CG1 4.35Å; L620-L652 HydrophobicContact CD1-CG 4.4Å; L620-L652 HydrophobicContact CD2-CD2 4.13Å
621K85Confident83.8Confident136 Ų13662.6 Ų62.659%0.59130%0.295SS*.Hα-helixtrans-69-47.8178.1-179.2177.7170.1-178.60111.9R618 L619 K624 E625R618-K621 PolarHBondContact O-N 3.22Å; L619-K621 PolarHBondContact O-N 3.46Å; K621-K624 PolarHBondContact O-N 2.94Å; K621-E625 VanDerWaalsContact CE-CD 3.45Å; K621-E625 WeakPolarHBondContact CE-OE1 3.22Å; K621-E625 IonicContact NZ-OE1 3.62Å; K621-E625 PolarHBondContact NZ-OE1 3.11Å; K621-E625 WeakPolarHBondContact O-CG 3.42Å; K621-E625 PolarHBondContact O-N 3.01Å
622T85.7Confident84.1Confident75 Ų7565.8 Ų65.846%0.4630%0.304SS..Hα-helixtrans-71.2-32.1-176.555.30000112.4L619 K626L619-T622 WeakPolarHBondContact CA-OG1 3.32Å; L619-T622 PolarHBondContact O-N 3.4Å; L619-T622 VanDerWaalsContact O-N 3.14Å; L619-T622 PolarHBondContact O-OG1 2.85Å; T622-K626 WeakPolarHBondContact O-CB 3.1Å; T622-K626 PolarHBondContact O-N 3.01Å
623A84.1Confident84Confident16 Ų1666.8 Ų66.813%0.13231%0.313CS..Hα-helixtrans-64.7-44.617300000111.4L619 K626 M627 I647 V651L619-A623 WeakPolarHBondContact O-CB 3.48Å; L619-A623 PolarHBondContact O-N 2.98Å; A623-K626 PolarHBondContact O-N 3.2Å; A623-M627 WeakPolarHBondContact O-CB 3.35Å; A623-M627 PolarHBondContact O-N 2.8Å; A623-I647 HydrophobicContact CB-CG1 4.25Å; A623-V651 HydrophobicContact CB-CG2 4.47Å
624K84.3Confident83.4Confident103 Ų10366.8 Ų66.845%0.44832%0.316SS..Hα-helixtrans-58.5-54.6172.6-177.5178-164.774.80111.9L620 K621 K626 M627 E628 E648L620-K624 WeakPolarHBondContact O-CB 3.46Å; L620-K624 PolarHBondContact O-N 3.13Å; K621-K624 PolarHBondContact O-N 2.94Å; K624-K626 PolarHBondContact O-N 3.23Å; K624-M627 PolarHBondContact O-N 3.28Å; K624-E628 PolarHBondContact O-N 3.4Å; K624-E648 HydrophobicContact CB-CG 4.12Å; K624-E648 WeakPolarHBondContact CD-OE2 3.4Å; K624-E648 HydrophobicContact CG-CG 4.41Å; K624-E648 WeakPolarHBondContact CG-OE1 3.27Å; K624-E648 IonicContact NZ-OE1 2.64Å; K624-E648 PolarHBondContact NZ-OE1 3.34Å; K624-E648 IonicContact NZ-OE2 2.82Å; K624-E648 PolarHBondContact NZ-OE2 3.16Å
625E85.7Confident82.4Confident86 Ų8666.6 Ų66.640%0.40232%0.323SS..Hα-helixtrans-60.2-34.6179.8-72.6176162.400112.4K621 Q629K621-E625 VanDerWaalsContact CE-CD 3.45Å; K621-E625 WeakPolarHBondContact CE-OE1 3.22Å; K621-E625 IonicContact NZ-OE1 3.62Å; K621-E625 PolarHBondContact NZ-OE1 3.11Å; K621-E625 WeakPolarHBondContact O-CG 3.42Å; K621-E625 PolarHBondContact O-N 3.01Å; E625-Q629 WeakPolarHBondContact O-CG 3.31Å; E625-Q629 PolarHBondContact O-N 3.02Å; E625-Q629 PolarHBondContact O-NE2 2.62Å
626K83.9Confident81.3Confident40 Ų4067 Ų6717%0.17435%0.345CS..Hα-helixtrans-74.7-43.5176.4-178.2177.8175.3-174.60112.6E199 T622 A623 K624 E628 Q629 L630 P702E199-K626 WeakPolarHBondContact OE1-CE 3.39Å; E199-K626 IonicContact OE1-NZ 2.78Å; E199-K626 PolarHBondContact OE1-NZ 3.14Å; E199-K626 WeakPolarHBondContact OE2-CE 3.38Å; E199-K626 IonicContact OE2-NZ 3.5Å; T622-K626 WeakPolarHBondContact O-CB 3.1Å; T622-K626 PolarHBondContact O-N 3.01Å; A623-K626 PolarHBondContact O-N 3.2Å; K624-K626 PolarHBondContact O-N 3.23Å; K626-E628 PolarHBondContact O-N 3.14Å; K626-Q629 WeakPolarHBondContact O-CA 3.28Å; K626-Q629 WeakPolarHBondContact O-CB 3.21Å; K626-Q629 PolarHBondContact O-N 2.78Å; K626-L630 HydrophobicContact CG-CD1 4.48Å; K626-L630 WeakPolarHBondContact O-CG 3.44Å; K626-L630 PolarHBondContact O-N 2.81Å; K626-P702 PolarHBondContact NZ-O 2.93Å
627M85.3Confident80Confident1 Ų173.7 Ų73.71%0.00537%0.37CS..Hα-helixtrans-64.8-33.7178.7-163.957.866.400111.4V203 F204 A623 K624 L630 S631 T644 F646 I647 L704V203-M627 HydrophobicContact CG1-CE 4.06Å; V203-M627 HydrophobicContact CG1-SD 4.04Å; F204-M627 HydrophobicContact CE1-SD 4.12Å; F204-M627 HydrophobicContact CE2-SD 4.26Å; F204-M627 HydrophobicContact CZ-CG 4.39Å; F204-M627 HydrophobicContact CZ-SD 3.5Å; F204-M627 VanDerWaalsContact CZ-SD 3.5Å; A623-M627 WeakPolarHBondContact O-CB 3.35Å; A623-M627 PolarHBondContact O-N 2.8Å; K624-M627 PolarHBondContact O-N 3.28Å; M627-L630 PolarHBondContact O-N 2.94Å; M627-L630 HydrophobicContact SD-CD1 4.29Å; M627-S631 VanDerWaalsContact O-CB 3.3Å; M627-S631 WeakPolarHBondContact O-CB 3.33Å; M627-S631 PolarHBondContact O-N 2.9Å; M627-T644 HydrophobicContact CG-CG2 3.79Å; M627-F646 HydrophobicContact CE-CE1 4.03Å; M627-F646 HydrophobicContact CE-CE2 4.28Å; M627-F646 HydrophobicContact CE-CZ 3.48Å; M627-F646 VanDerWaalsContact CE-CZ 3.48Å; M627-F646 HydrophobicContact CG-CE1 4.38Å; M627-F646 HydrophobicContact SD-CE1 3.98Å; M627-F646 HydrophobicContact SD-CZ 3.93Å; M627-I647 HydrophobicContact CB-CG2 3.87Å; M627-I647 HydrophobicContact CE-CB 3.84Å; M627-I647 HydrophobicContact CE-CG1 4.05Å; M627-I647 HydrophobicContact CE-CG2 3.77Å; M627-I647 HydrophobicContact CG-CG2 3.95Å; M627-L704 HydrophobicContact CE-CD1 3.62Å
628E84.7Confident78Confident95 Ų9578.7 Ų78.744%0.44439%0.393SS..Hα-helixtrans-64.9-37.4170.8-149.7-166.2171.100112.3K624 K626 R632K624-E628 PolarHBondContact O-N 3.4Å; K626-E628 PolarHBondContact O-N 3.14Å; E628-R632 WeakPolarHBondContact O-CB 3.34Å; E628-R632 WeakPolarHBondContact O-CD 3.29Å; E628-R632 WeakPolarHBondContact O-CG 3.28Å; E628-R632 PolarHBondContact O-N 3.13Å; E628-R632 IonicContact OE1-CZ 2.72Å; E628-R632 IonicContact OE1-NE 3.9Å; E628-R632 IonicContact OE1-NH2 3.96Å; E628-R632 PolarHBondContact OE1-NH2 3.45Å; E628-R632 IonicContact OE2-CZ 2.98Å; E628-R632 IonicContact OE2-NH2 2.65Å; E628-R632 PolarHBondContact OE2-NH2 3.26Å
629Q84.6Confident76.6Confident94 Ų9474.3 Ų74.344%0.43940%0.398SS..Hα-helixtrans-65.2-43.7172.6-70.8163.357.700112.2E625 K626 R632 A633E625-Q629 WeakPolarHBondContact O-CG 3.31Å; E625-Q629 PolarHBondContact O-N 3.02Å; E625-Q629 PolarHBondContact O-NE2 2.62Å; K626-Q629 WeakPolarHBondContact O-CA 3.28Å; K626-Q629 WeakPolarHBondContact O-CB 3.21Å; K626-Q629 PolarHBondContact O-N 2.78Å; Q629-R632 PolarHBondContact O-N 3.22Å; Q629-A633 PolarHBondContact O-N 2.84Å
630L83.6Confident75.6Confident0 Ų075.6 Ų75.60%042%0.42CS..Hα-helixtrans-64.9-43.4177-63.8177.2000111.5L196 E199 S200 V203 F204 K626 M627 R632 A633 L634 L704L196-L630 HydrophobicContact CD1-CD2 3.75Å; L196-L630 HydrophobicContact CG-CD2 4.28Å; E199-L630 HydrophobicContact CB-CD2 4.05Å; E199-L630 HydrophobicContact CG-CD1 4.04Å; E199-L630 HydrophobicContact CG-CD2 3.79Å; S200-L630 PolarHBondContact OG-O 3.34Å; V203-L630 HydrophobicContact CG2-CD1 4.14Å; F204-L630 HydrophobicContact CE2-CB 4Å; K626-L630 HydrophobicContact CG-CD1 4.48Å; K626-L630 WeakPolarHBondContact O-CG 3.44Å; K626-L630 PolarHBondContact O-N 2.81Å; M627-L630 PolarHBondContact O-N 2.94Å; M627-L630 HydrophobicContact SD-CD1 4.29Å; L630-R632 PolarHBondContact O-N 3.45Å; L630-A633 WeakPolarHBondContact O-CB 3.46Å; L630-A633 PolarHBondContact O-N 2.78Å; L630-A633 VanDerWaalsContact O-N 3.14Å; L630-L634 PolarHBondContact O-N 3.09Å; L630-L704 HydrophobicContact CD1-CD1 4.36Å
631S83.3Confident74.8Confident12 Ų1278.6 Ų78.68%0.08444%0.442CS..Hα-helixtrans-60.6-44.4176-178.20000111.8M627 A633 L634 S635 P642M627-S631 VanDerWaalsContact O-CB 3.3Å; M627-S631 WeakPolarHBondContact O-CB 3.33Å; M627-S631 PolarHBondContact O-N 2.9Å; S631-A633 VanDerWaalsContact C-N 3.32Å; S631-A633 PolarHBondContact O-N 3.26Å; S631-L634 PolarHBondContact O-N 3.02Å; S631-L634 VanDerWaalsContact O-N 3.15Å; S631-S635 PolarHBondContact O-N 3.16Å; S631-S635 VanDerWaalsContact O-N 3.1Å; S631-S635 PolarHBondContact O-OG 3.3Å; S631-P642 WeakPolarHBondContact OG-CD 3.35Å
632R82.2Confident74.1Confident154 Ų15473.5 Ų73.558%0.58142%0.423SS*.Hα-helixtrans-60.7-37.6172.3-70.8165.5-172.1167.82112.6E628 Q629 L630 L634 S635E628-R632 WeakPolarHBondContact O-CB 3.34Å; E628-R632 WeakPolarHBondContact O-CD 3.29Å; E628-R632 WeakPolarHBondContact O-CG 3.28Å; E628-R632 PolarHBondContact O-N 3.13Å; E628-R632 IonicContact OE1-CZ 2.72Å; E628-R632 IonicContact OE1-NE 3.9Å; E628-R632 IonicContact OE1-NH2 3.96Å; E628-R632 PolarHBondContact OE1-NH2 3.45Å; E628-R632 IonicContact OE2-CZ 2.98Å; E628-R632 IonicContact OE2-NH2 2.65Å; E628-R632 PolarHBondContact OE2-NH2 3.26Å; Q629-R632 PolarHBondContact O-N 3.22Å; L630-R632 PolarHBondContact O-N 3.45Å; R632-L634 VanDerWaalsContact C-N 3.33Å; R632-S635 PolarHBondContact O-N 3.39Å
633A80.1Confident73.7Confident40 Ų4072.7 Ų72.733%0.33142%0.416SS..Hα-helixtrans-68.1-29.317600000113.2L196 Q629 L630 S631L196-A633 HydrophobicContact CD2-CB 4.03Å; L196-A633 HydrophobicContact CG-CB 4.24Å; Q629-A633 PolarHBondContact O-N 2.84Å; L630-A633 WeakPolarHBondContact O-CB 3.46Å; L630-A633 PolarHBondContact O-N 2.78Å; L630-A633 VanDerWaalsContact O-N 3.14Å; S631-A633 VanDerWaalsContact C-N 3.32Å; S631-A633 PolarHBondContact O-N 3.26Å
634L74.3Confident73.5Confident45 Ų4573.8 Ų73.824%0.23642%0.421CS..Hα-helixtrans-81.6-22.8176.5-148.881000113.5S200 Q201 F204 L630 S631 R632 G636 R637 P642S200-L634 WeakPolarHBondContact OG-CD1 3.3Å; Q201-L634 HydrophobicContact CG-CD1 3.94Å; F204-L634 HydrophobicContact CB-CD2 3.77Å; F204-L634 HydrophobicContact CD2-CD1 4.43Å; F204-L634 HydrophobicContact CD2-CD2 3.91Å; F204-L634 HydrophobicContact CG-CD2 4.04Å; L630-L634 PolarHBondContact O-N 3.09Å; S631-L634 PolarHBondContact O-N 3.02Å; S631-L634 VanDerWaalsContact O-N 3.15Å; R632-L634 VanDerWaalsContact C-N 3.33Å; L634-G636 PolarHBondContact O-N 2.95Å; L634-R637 PolarHBondContact O-N 3.37Å; L634-P642 HydrophobicContact CD2-CG 3.99Å
635S61.2Low73.4Confident76 Ų7672.1 Ų72.153%0.53142%0.419SS..THydrogen-bonded Turntrans-65.49.8-169.8-64.20000116.2S631 R632S631-S635 PolarHBondContact O-N 3.16Å; S631-S635 VanDerWaalsContact O-N 3.1Å; S631-S635 PolarHBondContact O-OG 3.3Å; R632-S635 PolarHBondContact O-N 3.39Å
636G56.7Low73.3Confident82 Ų8268 Ų6885%0.84540%0.4SS*.THydrogen-bonded Turntrans-972.4171.800000114.8L634L634-G636 PolarHBondContact O-N 2.95Å
637R58.5Low73.3Confident148 Ų14866.1 Ų66.156%0.55839%0.392SS*.SBendtrans-109.7162179.1-121.6179.1-178164.53.6111.7L634 G639L634-R637 PolarHBondContact O-N 3.37Å; R637-G639 PolarHBondContact O-N 3.37Å
638E42.8Very low73.3Confident209 Ų20967.7 Ų67.798%0.97740%0.399SS*.SBendtrans-67.899.8-179.4-64.8-177.7140.400111.5
639G56.3Low73.3Confident68 Ų6865.8 Ų65.870%0.70139%0.392SS*.SBendtrans176.5166.7178.500000111.5R637R637-G639 PolarHBondContact O-N 3.37Å
640G61.7Low73.4Confident63 Ų6361.3 Ų61.365%0.64937%0.371SS*.PPolyproline II helixtrans-71.2165.4163.300000110.9
641P67.4Low73.7Confident107 Ų10761.3 Ų61.370%0.69537%0.372SS*.PPolyproline II helixtrans-57.5128.2170.426-33.4000109
642P70.7Confident73.8Confident29 Ų2963.5 Ų63.519%0.18838%0.382CS..PPolyproline II helixtrans-66.3149.7-177.628.5-36.8000110.9F204 S631 L634 T644F204-P642 HydrophobicContact CD1-CB 3.58Å; F204-P642 HydrophobicContact CD1-CG 3.96Å; F204-P642 HydrophobicContact CD2-CB 4.49Å; F204-P642 HydrophobicContact CD2-CG 4.02Å; F204-P642 HydrophobicContact CE1-CB 3.61Å; F204-P642 HydrophobicContact CE1-CG 3.78Å; F204-P642 HydrophobicContact CE2-CG 3.83Å; F204-P642 HydrophobicContact CG-CB 4.05Å; F204-P642 HydrophobicContact CG-CG 4.08Å; F204-P642 HydrophobicContact CZ-CB 4.09Å; F204-P642 HydrophobicContact CZ-CG 3.7Å; S631-P642 WeakPolarHBondContact OG-CD 3.35Å; L634-P642 HydrophobicContact CD2-CG 3.99Å; P642-T644 WeakPolarHBondContact O-CG2 3.46Å; P642-T644 PolarHBondContact O-N 2.9Å
643D76.3Confident74.1Confident58 Ų5856.7 Ų56.731%0.3136%0.357SS..PPolyproline II helixtrans-56.5131.4174.6164.547.5000111.4F204 T645 F646 R708F204-D643 WeakPolarHBondContact CE1-O 3.45Å; D643-T645 PolarHBondContact OD1-N 3.47Å; D643-T645 PolarHBondContact OD1-OG1 2.98Å; D643-F646 WeakPolarHBondContact O-CD1 3.32Å; D643-F646 WeakPolarHBondContact O-CE1 3.23Å; D643-R708 IonicContact OD2-CZ 3.56Å; D643-R708 IonicContact OD2-NE 3.1Å; D643-R708 PolarHBondContact OD2-NE 3.31Å; D643-R708 IonicContact OD2-NH2 2.71Å; D643-R708 PolarHBondContact OD2-NH2 2.6Å
644T80.3Confident74.5Confident39 Ų3954.9 Ų54.924%0.23934%0.341CS..  trans-114.2-6.3178.567.50000113.7M627 P642M627-T644 HydrophobicContact CG-CG2 3.79Å; P642-T644 WeakPolarHBondContact O-CG2 3.46Å; P642-T644 PolarHBondContact O-N 2.9Å
645T81.3Confident75.2Confident68 Ų6853.2 Ų53.242%0.41733%0.333SS..Hα-helixtrans-71.3-35.2-173.4790000111.4D643 I647 E648 D649D643-T645 PolarHBondContact OD1-N 3.47Å; D643-T645 PolarHBondContact OD1-OG1 2.98Å; T645-I647 PolarHBondContact O-N 2.99Å; T645-E648 WeakPolarHBondContact O-CA 3.48Å; T645-E648 WeakPolarHBondContact O-CB 3.37Å; T645-E648 PolarHBondContact O-N 2.9Å; T645-D649 WeakPolarHBondContact CB-OD2 3.47Å; T645-D649 PolarHBondContact O-N 3.46Å; T645-D649 VanDerWaalsContact O-OD2 3.05Å; T645-D649 PolarHBondContact OG1-OD2 3.49Å
646F83.8Confident76.5Confident0 Ų051.2 Ų51.20%032%0.315CS..Hα-helixtrans-48-28.2-175.778.8-84.1000115.7V203 F204 M627 D643 D649 A650 R708 I711 I712V203-F646 HydrophobicContact CG1-CZ 3.89Å; F204-F646 HydrophobicContact CE1-CE1 4.15Å; M627-F646 HydrophobicContact CE-CE1 4.03Å; M627-F646 HydrophobicContact CE-CE2 4.28Å; M627-F646 HydrophobicContact CE-CZ 3.48Å; M627-F646 VanDerWaalsContact CE-CZ 3.48Å; M627-F646 HydrophobicContact CG-CE1 4.38Å; M627-F646 HydrophobicContact SD-CE1 3.98Å; M627-F646 HydrophobicContact SD-CZ 3.93Å; D643-F646 WeakPolarHBondContact O-CD1 3.32Å; D643-F646 WeakPolarHBondContact O-CE1 3.23Å; F646-D649 PolarHBondContact N-OD2 2.91Å; F646-A650 WeakPolarHBondContact O-CB 3.43Å; F646-A650 PolarHBondContact O-N 3.19Å; F646-R708 HydrophobicContact CD1-CG 3.92Å; F646-R708 HydrophobicContact CD2-CB 4.44Å; F646-R708 HydrophobicContact CD2-CG 3.77Å; F646-R708 HydrophobicContact CE1-CB 4.49Å; F646-R708 HydrophobicContact CE1-CG 3.93Å; F646-R708 HydrophobicContact CE2-CB 4Å; F646-R708 HydrophobicContact CE2-CG 3.78Å; F646-R708 HydrophobicContact CG-CG 3.83Å; F646-R708 HydrophobicContact CZ-CB 4.01Å; F646-R708 HydrophobicContact CZ-CG 3.85Å; F646-I711 HydrophobicContact CD2-CG2 4.26Å; F646-I711 HydrophobicContact CE2-CB 4.39Å; F646-I711 HydrophobicContact CE2-CD1 4.03Å; F646-I711 HydrophobicContact CE2-CG2 4.35Å; F646-I712 HydrophobicContact CB-CD1 4.01Å; F646-I712 HydrophobicContact CB-CG1 3.93Å; F646-I712 HydrophobicContact CD2-CG1 4.2Å; F646-I712 HydrophobicContact CG-CD1 4.43Å; F646-I712 HydrophobicContact CG-CG1 4.39Å
647I85.4Confident78.1Confident1 Ų147.3 Ų47.31%0.00527%0.274CS..Hα-helixtrans-85.2-33.4177-161.566.1000112.7A623 M627 T645 V651 V699 I711A623-I647 HydrophobicContact CB-CG1 4.25Å; M627-I647 HydrophobicContact CB-CG2 3.87Å; M627-I647 HydrophobicContact CE-CB 3.84Å; M627-I647 HydrophobicContact CE-CG1 4.05Å; M627-I647 HydrophobicContact CE-CG2 3.77Å; M627-I647 HydrophobicContact CG-CG2 3.95Å; T645-I647 PolarHBondContact O-N 2.99Å; I647-V651 VanDerWaalsContact O-CG2 3.24Å; I647-V651 WeakPolarHBondContact O-CG2 3.4Å; I647-V651 PolarHBondContact O-N 3.07Å; I647-V699 HydrophobicContact CD1-CG1 4.1Å; I647-V699 HydrophobicContact CD1-CG2 4.05Å; I647-I711 HydrophobicContact CD1-CD1 4.22Å; I647-I711 HydrophobicContact CD1-CG2 4.02Å
648E84.6Confident79.6Confident33 Ų3340.4 Ų40.415%0.15425%0.248CC..Hα-helixtrans-66.6-45.6170.2-62.5-179.7-123.400109.3L620 K624 T645 A650 V651 L652L620-E648 HydrophobicContact CD1-CB 4.05Å; L620-E648 HydrophobicContact CD1-CG 4.36Å; K624-E648 HydrophobicContact CB-CG 4.12Å; K624-E648 WeakPolarHBondContact CD-OE2 3.4Å; K624-E648 HydrophobicContact CG-CG 4.41Å; K624-E648 WeakPolarHBondContact CG-OE1 3.27Å; K624-E648 IonicContact NZ-OE1 2.64Å; K624-E648 PolarHBondContact NZ-OE1 3.34Å; K624-E648 IonicContact NZ-OE2 2.82Å; K624-E648 PolarHBondContact NZ-OE2 3.16Å; T645-E648 WeakPolarHBondContact O-CA 3.48Å; T645-E648 WeakPolarHBondContact O-CB 3.37Å; T645-E648 PolarHBondContact O-N 2.9Å; E648-A650 PolarHBondContact O-N 2.73Å; E648-V651 PolarHBondContact O-N 3.05Å; E648-L652 WeakPolarHBondContact O-CB 3.34Å; E648-L652 VanDerWaalsContact O-CG 3.28Å; E648-L652 WeakPolarHBondContact O-CG 3.44Å; E648-L652 PolarHBondContact O-N 3.38Å
649D84.1Confident81.8Confident55 Ų5531.9 Ų31.929%0.29421%0.207SC..Hα-helixtrans-64.2-40.6178.7-55-34.4000111.3Y217 T645 F646 L652 E653Y217-D649 WeakPolarHBondContact OH-CB 3.47Å; T645-D649 WeakPolarHBondContact CB-OD2 3.47Å; T645-D649 PolarHBondContact O-N 3.46Å; T645-D649 VanDerWaalsContact O-OD2 3.05Å; T645-D649 PolarHBondContact OG1-OD2 3.49Å; F646-D649 PolarHBondContact N-OD2 2.91Å; D649-L652 PolarHBondContact O-N 2.94Å; D649-E653 WeakPolarHBondContact O-CB 3.44Å; D649-E653 PolarHBondContact O-N 3.07Å
650A87.6Confident83.5Confident0 Ų029.1 Ų29.10%018%0.176CC..Hα-helixtrans-65.8-36.317200000113.5F646 E648 L654 L695 I711 A715F646-A650 WeakPolarHBondContact O-CB 3.43Å; F646-A650 PolarHBondContact O-N 3.19Å; E648-A650 PolarHBondContact O-N 2.73Å; A650-L654 WeakPolarHBondContact O-CB 3.43Å; A650-L654 PolarHBondContact O-N 3.01Å; A650-L695 HydrophobicContact CB-CD1 4.5Å; A650-I711 HydrophobicContact CB-CG2 3.98Å; A650-A715 HydrophobicContact CB-CB 4.04Å
651V88.5Confident84.8Confident1 Ų126.1 Ų26.11%0.00615%0.145CC..Hα-helixtrans-69.1-38.8172.5172.20000111L620 A623 I647 E648 L654 L655 V699L620-V651 HydrophobicContact CB-CG1 3.75Å; L620-V651 HydrophobicContact CD1-CB 3.97Å; L620-V651 HydrophobicContact CD1-CG1 3.86Å; L620-V651 HydrophobicContact CG-CG1 4.35Å; A623-V651 HydrophobicContact CB-CG2 4.47Å; I647-V651 VanDerWaalsContact O-CG2 3.24Å; I647-V651 WeakPolarHBondContact O-CG2 3.4Å; I647-V651 PolarHBondContact O-N 3.07Å; E648-V651 PolarHBondContact O-N 3.05Å; V651-L654 PolarHBondContact O-N 3.47Å; V651-L655 HydrophobicContact CG1-CD1 3.89Å; V651-L655 HydrophobicContact CG1-CG 4.3Å; V651-L655 WeakPolarHBondContact O-CB 3.3Å; V651-L655 VanDerWaalsContact O-CG 3.24Å; V651-L655 WeakPolarHBondContact O-CG 3.34Å; V651-L655 PolarHBondContact O-N 3.3Å; V651-V699 HydrophobicContact CG2-CG1 3.54Å
652L86.6Confident85.7Confident57 Ų5721.5 Ų21.530%0.29811%0.114SC..Hα-helixtrans-64.6-39.5176-71.9169.1000111.6L620 E648 D649 L655 K656L620-L652 HydrophobicContact CD1-CG 4.4Å; L620-L652 HydrophobicContact CD2-CD2 4.13Å; E648-L652 WeakPolarHBondContact O-CB 3.34Å; E648-L652 VanDerWaalsContact O-CG 3.28Å; E648-L652 WeakPolarHBondContact O-CG 3.44Å; E648-L652 PolarHBondContact O-N 3.38Å; D649-L652 PolarHBondContact O-N 2.94Å; L652-L655 PolarHBondContact O-N 3.35Å; L652-K656 WeakPolarHBondContact O-CB 3.49Å; L652-K656 WeakPolarHBondContact O-CG 3.36Å; L652-K656 PolarHBondContact O-N 3.2Å
653E87.8Confident86.7Confident11 Ų1120.1 Ų20.15%0.05111%0.105CC..Hα-helixtrans-66.5-41.6174.5-175.250.6-12700112.4D649 K656 T657 V718 Q719 R722D649-E653 WeakPolarHBondContact O-CB 3.44Å; D649-E653 PolarHBondContact O-N 3.07Å; E653-K656 PolarHBondContact O-N 3.07Å; E653-T657 WeakPolarHBondContact O-CB 3.45Å; E653-T657 PolarHBondContact O-N 3.04Å; E653-T657 PolarHBondContact O-OG1 3.06Å; E653-T657 VanDerWaalsContact O-OG1 3.09Å; E653-T657 PolarHBondContact OE1-OG1 2.86Å; E653-V718 HydrophobicContact CG-CG1 4.17Å; E653-Q719 HydrophobicContact CG-CB 4.03Å; E653-Q719 WeakPolarHBondContact OE1-CA 3.45Å; E653-R722 WeakPolarHBondContact OE1-CD 3.34Å; E653-R722 IonicContact OE1-CZ 3.64Å; E653-R722 IonicContact OE1-NE 2.72Å; E653-R722 IonicContact OE1-NH1 2.75Å; E653-R722 PolarHBondContact OE1-NH1 3.17Å; E653-R722 IonicContact OE2-CZ 3.06Å; E653-R722 IonicContact OE2-NH1 3.63Å; E653-R722 PolarHBondContact OE2-NH1 3.28Å
654L89.6Confident87.3Confident2 Ų217.3 Ų17.31%0.019%0.09CC..Hα-helixtrans-58.7-46.2171.2175.457.6000111.2E616 A650 V651 T657 R658 T692 L695 A696E616-L654 HydrophobicContact CG-CD2 4.14Å; E616-L654 WeakPolarHBondContact OE2-CG 3.41Å; A650-L654 WeakPolarHBondContact O-CB 3.43Å; A650-L654 PolarHBondContact O-N 3.01Å; V651-L654 PolarHBondContact O-N 3.47Å; L654-T657 PolarHBondContact O-N 2.92Å; L654-R658 HydrophobicContact CD1-CG 4.2Å; L654-R658 WeakPolarHBondContact O-CB 3.01Å; L654-R658 WeakPolarHBondContact O-CG 3.37Å; L654-R658 PolarHBondContact O-N 3.05Å; L654-T692 HydrophobicContact CD1-CG2 3.5Å; L654-L695 HydrophobicContact CB-CD2 4.02Å; L654-A696 HydrophobicContact CD1-CB 4.07Å; L654-A696 HydrophobicContact CD2-CB 4.01Å
655L89.1Confident87.7Confident11 Ų1115.9 Ų15.96%0.0588%0.08CC..Hα-helixtrans-65.9-41.9177.8-72.2169000113Y613 E616 Q617 V651 L652 T657 R659Y613-L655 HydrophobicContact CD2-CB 4.43Å; Y613-L655 HydrophobicContact CD2-CD2 3.62Å; Y613-L655 HydrophobicContact CE2-CB 4.01Å; Y613-L655 HydrophobicContact CE2-CD2 3.71Å; Y613-L655 HydrophobicContact CE2-CG 4.46Å; Y613-L655 WeakPolarHBondContact CE2-O 3.35Å; Y613-L655 HydrophobicContact CG-CD2 4.12Å; E616-L655 HydrophobicContact CB-CD2 4.05Å; Q617-L655 HydrophobicContact CB-CD2 4.05Å; V651-L655 HydrophobicContact CG1-CD1 3.89Å; V651-L655 HydrophobicContact CG1-CG 4.3Å; V651-L655 WeakPolarHBondContact O-CB 3.3Å; V651-L655 VanDerWaalsContact O-CG 3.24Å; V651-L655 WeakPolarHBondContact O-CG 3.34Å; V651-L655 PolarHBondContact O-N 3.3Å; L652-L655 PolarHBondContact O-N 3.35Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 3.24Å; L655-R659 PolarHBondContact O-N 3Å
656K88.1Confident88Confident34 Ų3412.6 Ų12.615%0.1486%0.061CC..Hα-helixtrans-54.5-47171-79.4177.8178-176.10110E224 L464 L652 E653 I660 R722E224-K656 IonicContact OE1-NZ 2.74Å; E224-K656 PolarHBondContact OE1-NZ 2.71Å; E224-K656 IonicContact OE2-NZ 2.67Å; E224-K656 PolarHBondContact OE2-NZ 2.85Å; L464-K656 HydrophobicContact CD1-CG 3.63Å; L464-K656 HydrophobicContact CD2-CG 4.49Å; L652-K656 WeakPolarHBondContact O-CB 3.49Å; L652-K656 WeakPolarHBondContact O-CG 3.36Å; L652-K656 PolarHBondContact O-N 3.2Å; E653-K656 PolarHBondContact O-N 3.07Å; K656-I660 PolarHBondContact O-N 2.94Å; K656-R722 VanDerWaalsContact CD-NH1 3.28Å
657T90.8Very high88.3Confident0 Ų014.4 Ų14.40%07%0.068CC..Hα-helixtrans-75.9-39.7-176.1-58.50000113.9E653 L654 L655 R659 I660 L661 L688 T692 V718 R722E653-T657 WeakPolarHBondContact O-CB 3.45Å; E653-T657 PolarHBondContact O-N 3.04Å; E653-T657 PolarHBondContact O-OG1 3.06Å; E653-T657 VanDerWaalsContact O-OG1 3.09Å; E653-T657 PolarHBondContact OE1-OG1 2.86Å; L654-T657 PolarHBondContact O-N 2.92Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 3.24Å; T657-R659 PolarHBondContact O-N 3.3Å; T657-I660 PolarHBondContact O-N 3.39Å; T657-I660 VanDerWaalsContact O-N 3.14Å; T657-L661 HydrophobicContact CG2-CD1 4.43Å; T657-L661 PolarHBondContact O-N 3.13Å; T657-L688 HydrophobicContact CG2-CD1 3.66Å; T657-L688 HydrophobicContact CG2-CD2 4.19Å; T657-L688 HydrophobicContact CG2-CG 3.9Å; T657-T692 HydrophobicContact CG2-CG2 4.26Å; T657-T692 WeakPolarHBondContact CG2-OG1 3.43Å; T657-V718 HydrophobicContact CG2-CG1 3.97Å; T657-V718 VanDerWaalsContact OG1-CG1 3.32Å; T657-V718 WeakPolarHBondContact OG1-CG1 3.39Å; T657-R722 VanDerWaalsContact OG1-CD 3.3Å; T657-R722 WeakPolarHBondContact OG1-CD 3.33Å
658R89.1Confident88.3Confident3 Ų314.4 Ų14.41%0.0117%0.067CC..Hα-helixtrans-54.3-38.2172.1-80.2-60.2-171.9-163.3-6.7112.8H609 Y613 E616 L654 L661 K662 E693H609-R658 PolarHBondContact CE1-NH1 2.77Å; H609-R658 VanDerWaalsContact CE1-NH1 3.3Å; H609-R658 PolarHBondContact ND1-NH1 2.68Å; H609-R658 VanDerWaalsContact ND1-NH1 3.18Å; Y613-R658 HydrophobicContact CD2-CB 4.07Å; E616-R658 IonicContact OE1-CZ 3.64Å; E616-R658 IonicContact OE1-NE 3.52Å; E616-R658 PolarHBondContact OE1-NE 3.38Å; E616-R658 VanDerWaalsContact OE1-NE 3.1Å; E616-R658 IonicContact OE1-NH2 2.9Å; E616-R658 PolarHBondContact OE1-NH2 3.35Å; E616-R658 WeakPolarHBondContact OE2-CG 3.41Å; E616-R658 IonicContact OE2-CZ 2.75Å; E616-R658 IonicContact OE2-NE 3.75Å; E616-R658 PolarHBondContact OE2-NE 2.96Å; E616-R658 IonicContact OE2-NH2 3.23Å; L654-R658 HydrophobicContact CD1-CG 4.2Å; L654-R658 WeakPolarHBondContact O-CB 3.01Å; L654-R658 WeakPolarHBondContact O-CG 3.37Å; L654-R658 PolarHBondContact O-N 3.05Å; R658-L661 PolarHBondContact O-N 2.81Å; R658-K662 WeakPolarHBondContact O-CB 3.33Å; R658-K662 PolarHBondContact O-N 2.98Å; R658-E693 IonicContact CZ-OE1 3.66Å; R658-E693 IonicContact CZ-OE2 3.47Å; R658-E693 VanDerWaalsContact NH1-CD 3.35Å; R658-E693 IonicContact NH1-OE1 3.58Å; R658-E693 PolarHBondContact NH1-OE1 2.81Å; R658-E693 IonicContact NH1-OE2 3.45Å; R658-E693 IonicContact NH2-OE1 2.7Å; R658-E693 PolarHBondContact NH2-OE1 3.17Å; R658-E693 IonicContact NH2-OE2 2.67Å; R658-E693 PolarHBondContact NH2-OE2 3.21Å
659R89.5Confident88.4Confident29 Ų2913.5 Ų13.511%0.1096%0.063CC..Hα-helixtrans-69.2-39.5179.8-167.9172.2-171.4162.6-7.7112.3L464 A473 Y613 L655 T657 K662 C663L464-R659 PolarHBondContact O-NH1 3.02Å; L464-R659 PolarHBondContact O-NH2 3.35Å; A473-R659 PolarHBondContact O-NE 3.16Å; Y613-R659 HydrophobicContact CE2-CB 4.42Å; L655-R659 PolarHBondContact O-N 3Å; T657-R659 PolarHBondContact O-N 3.3Å; R659-K662 WeakPolarHBondContact O-CB 3.46Å; R659-K662 PolarHBondContact O-N 3.37Å; R659-C663 PolarHBondContact O-N 2.91Å; R659-C663 VanDerWaalsContact O-N 3.07Å; R659-C663 PolarHBondContact O-SG 3.16Å; R659-C663 VanDerWaalsContact O-SG 3.38Å
660I90.8Very high88.6Confident10 Ų1014 Ų145%0.0516%0.063CC..Hα-helixtrans-65.1-41.9172.3-69.4160.2000110.2E475 K656 T657 C663 S664 L688 R722 F725 L726E475-I660 HydrophobicContact CB-CG1 4.34Å; E475-I660 WeakPolarHBondContact O-CA 3.31Å; K656-I660 PolarHBondContact O-N 2.94Å; T657-I660 PolarHBondContact O-N 3.39Å; T657-I660 VanDerWaalsContact O-N 3.14Å; I660-C663 PolarHBondContact O-N 3.42Å; I660-S664 VanDerWaalsContact O-CB 3.24Å; I660-S664 WeakPolarHBondContact O-CB 3.16Å; I660-S664 PolarHBondContact O-N 3.38Å; I660-L688 HydrophobicContact CG2-CD2 4.29Å; I660-R722 HydrophobicContact CD1-CG 3.44Å; I660-R722 VanDerWaalsContact CD1-CG 3.44Å; I660-F725 HydrophobicContact CG2-CD1 3.84Å; I660-F725 HydrophobicContact CG2-CE1 3.71Å; I660-L726 HydrophobicContact CD1-CD1 3.9Å; I660-L726 HydrophobicContact CD1-CD2 4.33Å; I660-L726 HydrophobicContact CD1-CG 4.4Å; I660-L726 HydrophobicContact CG1-CD2 4.45Å; I660-L726 HydrophobicContact CG2-CD2 4.07Å
661L89Confident88.5Confident0 Ų015.4 Ų15.40%07%0.07CC..Hα-helixtrans-63.4-45.9173.3-72.7173.2000112.2T657 R658 C663 S664 Y665 Q685 L688 E689 T692T657-L661 HydrophobicContact CG2-CD1 4.43Å; T657-L661 PolarHBondContact O-N 3.13Å; R658-L661 PolarHBondContact O-N 2.81Å; L661-C663 VanDerWaalsContact C-N 3.29Å; L661-C663 PolarHBondContact O-N 3.46Å; L661-S664 WeakPolarHBondContact CA-OG 3.39Å; L661-S664 PolarHBondContact O-N 3.26Å; L661-S664 VanDerWaalsContact O-N 3.14Å; L661-S664 PolarHBondContact O-OG 3.31Å; L661-Y665 WeakPolarHBondContact O-CD2 3.28Å; L661-Y665 WeakPolarHBondContact O-CE2 3.47Å; L661-Q685 HydrophobicContact CD2-CG 4.45Å; L661-L688 HydrophobicContact CD2-CB 4.31Å; L661-L688 HydrophobicContact CD2-CD2 4.04Å; L661-L688 HydrophobicContact CD2-CG 4.08Å; L661-L688 HydrophobicContact CG-CD2 4.36Å; L661-L688 HydrophobicContact CG-CG 4.41Å; L661-E689 HydrophobicContact CD1-CB 4.39Å; L661-E689 HydrophobicContact CD2-CB 4.22Å; L661-T692 HydrophobicContact CD1-CG2 3.9Å
662K87.8Confident88Confident10 Ų1022 Ų224%0.04310%0.101CC..Hα-helixtrans-47.9-52.1171.3168.3-174.91631770110.6E472 F606 H609 E610 R658 R659 P666E472-K662 IonicContact OE1-NZ 2.63Å; E472-K662 PolarHBondContact OE1-NZ 2.94Å; E472-K662 IonicContact OE2-NZ 2.97Å; E472-K662 PolarHBondContact OE2-NZ 3.34Å; F606-K662 HydrophobicContact CD2-CG 3.73Å; F606-K662 WeakPolarHBondContact CD2-O 3.3Å; F606-K662 HydrophobicContact CE2-CD 4.18Å; F606-K662 HydrophobicContact CE2-CG 3.69Å; H609-K662 HydrophobicContact CB-CB 4.2Å; E610-K662 HydrophobicContact CB-CD 4.09Å; E610-K662 VanDerWaalsContact OE1-CE 3.31Å; E610-K662 WeakPolarHBondContact OE1-CE 3.49Å; E610-K662 IonicContact OE1-NZ 2.79Å; E610-K662 PolarHBondContact OE1-NZ 3.47Å; R658-K662 WeakPolarHBondContact O-CB 3.33Å; R658-K662 PolarHBondContact O-N 2.98Å; R659-K662 WeakPolarHBondContact O-CB 3.46Å; R659-K662 PolarHBondContact O-N 3.37Å; K662-P666 WeakPolarHBondContact O-CD 3.48Å
663C90.5Very high87.4Confident0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-81.9-15.3-175.4-570000114H474 E475 C477 W482 R659 I660 L661 Y665 P666 Y667H474-C663 WeakPolarHBondContact O-CB 3.41Å; E475-C663 WeakPolarHBondContact O-CB 3.37Å; C477-C663 PolarHBondContact SG-O 2.89Å; C477-C663 VanDerWaalsContact SG-O 3.33Å; W482-C663 HydrophobicContact CZ3-CB 4.49Å; R659-C663 PolarHBondContact O-N 2.91Å; R659-C663 VanDerWaalsContact O-N 3.07Å; R659-C663 PolarHBondContact O-SG 3.16Å; R659-C663 VanDerWaalsContact O-SG 3.38Å; I660-C663 PolarHBondContact O-N 3.42Å; L661-C663 VanDerWaalsContact C-N 3.29Å; L661-C663 PolarHBondContact O-N 3.46Å; C663-Y665 VanDerWaalsContact C-N 3.31Å; C663-Y665 PolarHBondContact O-N 3.29Å; C663-P666 VanDerWaalsContact O-CD 3.28Å; C663-P666 WeakPolarHBondContact O-CD 3.5Å; C663-Y667 PolarHBondContact O-N 3.48Å
664S89.9Confident86.6Confident0 Ų032.5 Ų32.50%015%0.152CC..Hα-helixtrans-66.7-27.8176.372.10000113.6I660 L661 G668 Y681 Q685I660-S664 VanDerWaalsContact O-CB 3.24Å; I660-S664 WeakPolarHBondContact O-CB 3.16Å; I660-S664 PolarHBondContact O-N 3.38Å; L661-S664 WeakPolarHBondContact CA-OG 3.39Å; L661-S664 PolarHBondContact O-N 3.26Å; L661-S664 VanDerWaalsContact O-N 3.14Å; L661-S664 PolarHBondContact O-OG 3.31Å; S664-G668 PolarHBondContact O-N 2.86Å; S664-Y681 WeakPolarHBondContact CA-OH 3.46Å; S664-Y681 VanDerWaalsContact CB-OH 3.26Å; S664-Y681 WeakPolarHBondContact CB-OH 3.32Å; S664-Y681 PolarHBondContact O-OH 2.98Å; S664-Q685 PolarHBondContact OG-NE2 3.03Å
665Y87.1Confident86.2Confident8 Ų833.7 Ų33.73%0.03116%0.161CC..Hα-helixtrans-72.3-46.9175.2-60.1-75.6000112.8Y602 R605 H609 L661 C663 Y667 G668 F669 Q685 E689Y602-Y665 HydrophobicContact CD1-CD1 4.06Å; Y602-Y665 HydrophobicContact CD1-CG 4.49Å; Y602-Y665 VanDerWaalsContact CD1-O 3.25Å; Y602-Y665 WeakPolarHBondContact CD1-O 3.46Å; R605-Y665 HydrophobicContact CB-CD1 3.77Å; R605-Y665 HydrophobicContact CB-CD2 3.9Å; R605-Y665 HydrophobicContact CB-CE1 3.84Å; R605-Y665 HydrophobicContact CB-CE2 3.97Å; R605-Y665 HydrophobicContact CB-CG 3.81Å; R605-Y665 VanDerWaalsContact CD-CE1 3.47Å; R605-Y665 HydrophobicContact CG-CD1 4.43Å; R605-Y665 HydrophobicContact CG-CE1 4.23Å; H609-Y665 AromaticContact CD2-CE2 3.4Å; H609-Y665 VanDerWaalsContact CD2-CE2 3.4Å; H609-Y665 WeakPolarHBondContact CD2-CE2 3.41Å; H609-Y665 AromaticContact NE2-CE2 3.81Å; H609-Y665 AromaticContact NE2-CZ 3.99Å; H609-Y665 PolarHBondContact NE2-OH 3.03Å; L661-Y665 WeakPolarHBondContact O-CD2 3.28Å; L661-Y665 WeakPolarHBondContact O-CE2 3.47Å; C663-Y665 VanDerWaalsContact C-N 3.31Å; C663-Y665 PolarHBondContact O-N 3.29Å; Y665-Y667 VanDerWaalsContact C-N 3.33Å; Y665-Y667 PolarHBondContact O-N 3.25Å; Y665-G668 PolarHBondContact O-N 2.92Å; Y665-F669 WeakPolarHBondContact O-CB 3.26Å; Y665-F669 PolarHBondContact O-N 3.45Å; Y665-Q685 VanDerWaalsContact CD1-NE2 3.28Å; Y665-E689 PolarHBondContact OH-OE1 3.04Å; Y665-E689 PolarHBondContact OH-OE2 3.23Å
666P89.4Confident85.9Confident0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-50.6-46.1166.8-3033.3000114W482 W485 F606 K662 C663 F669 F670W482-P666 HydrophobicContact CZ3-CG 4.31Å; W485-P666 HydrophobicContact CB-CB 4.14Å; W485-P666 HydrophobicContact CD2-CB 3.81Å; W485-P666 HydrophobicContact CD2-CG 3.81Å; W485-P666 HydrophobicContact CE3-CB 4.21Å; W485-P666 HydrophobicContact CE3-CG 4.5Å; W485-P666 HydrophobicContact CG-CB 3.74Å; W485-P666 HydrophobicContact CG-CG 3.85Å; W485-P666 HydrophobicContact CZ2-CG 4.29Å; F606-P666 HydrophobicContact CD2-CG 3.68Å; F606-P666 HydrophobicContact CE2-CG 4.13Å; K662-P666 WeakPolarHBondContact O-CD 3.48Å; C663-P666 VanDerWaalsContact O-CD 3.28Å; C663-P666 WeakPolarHBondContact O-CD 3.5Å; P666-F669 WeakPolarHBondContact O-CB 3.29Å; P666-F669 PolarHBondContact O-N 2.97Å; P666-F670 WeakPolarHBondContact O-CD2 3.41Å; P666-F670 PolarHBondContact O-N 3.24Å
667Y88.9Confident85.5Confident38 Ų3840.9 Ų40.915%0.14920%0.2CC..Hα-helixtrans-62.2-50.8176.3-173.2-93.2000111.5P476 C663 Y665 F669 F670 L671 Y681 V729P476-Y667 HydrophobicContact CG-CG 4.24Å; C663-Y667 PolarHBondContact O-N 3.48Å; Y665-Y667 VanDerWaalsContact C-N 3.33Å; Y665-Y667 PolarHBondContact O-N 3.25Å; Y667-F669 PolarHBondContact O-N 2.75Å; Y667-F670 PolarHBondContact O-N 3.11Å; Y667-L671 HydrophobicContact CD1-CD1 4.08Å; Y667-L671 HydrophobicContact CD1-CD2 4.33Å; Y667-L671 HydrophobicContact CD1-CG 4.07Å; Y667-L671 HydrophobicContact CE1-CD1 3.93Å; Y667-L671 HydrophobicContact CE1-CD2 3.73Å; Y667-L671 HydrophobicContact CE1-CG 3.94Å; Y667-L671 PolarHBondContact O-N 2.94Å; Y667-L671 VanDerWaalsContact O-N 3.11Å; Y667-Y681 HydrophobicContact CD1-CD2 4.18Å; Y667-Y681 HydrophobicContact CD1-CE1 4.21Å; Y667-Y681 AromaticContact CD1-CE2 3.47Å; Y667-Y681 HydrophobicContact CD1-CE2 3.47Å; Y667-Y681 VanDerWaalsContact CD1-CE2 3.47Å; Y667-Y681 AromaticContact CD1-CZ 3.49Å; Y667-Y681 VanDerWaalsContact CD1-CZ 3.49Å; Y667-Y681 WeakPolarHBondContact CD1-OH 3.5Å; Y667-Y681 HydrophobicContact CE1-CD2 4.05Å; Y667-Y681 AromaticContact CE1-CE2 3.72Å; Y667-Y681 HydrophobicContact CE1-CE2 3.72Å; Y667-V729 HydrophobicContact CE1-CG1 4.3Å; Y667-V729 HydrophobicContact CE2-CG1 4.19Å
668G86.4Confident85.2Confident0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-61.6-26.3177.500000114.4S664 Y665 K678S664-G668 PolarHBondContact O-N 2.86Å; Y665-G668 PolarHBondContact O-N 2.92Å; G668-K678 PolarHBondContact O-NZ 3.45Å
669F86.8Confident85Confident15 Ų1547.8 Ų47.87%0.06623%0.232CC..Hα-helixtrans-68.6-39.1172.5174.4-94.3000112.1W485 K488 R598 F599 Y602 Y665 P666 Y667W485-F669 HydrophobicContact CE3-CD1 4.22Å; W485-F669 HydrophobicContact CZ3-CB 4.21Å; W485-F669 AromaticContact CZ3-CD1 3.99Å; W485-F669 HydrophobicContact CZ3-CD1 3.99Å; W485-F669 HydrophobicContact CZ3-CD2 4.39Å; W485-F669 HydrophobicContact CZ3-CE1 4.49Å; W485-F669 AromaticContact CZ3-CG 3.94Å; W485-F669 HydrophobicContact CZ3-CG 3.94Å; K488-F669 HydrophobicContact CD-CE1 4.27Å; R598-F669 HydrophobicContact CG-CD2 4.09Å; R598-F669 HydrophobicContact CG-CE2 3.91Å; R598-F669 PolarHBondContact NH2-O 3.42Å; F599-F669 HydrophobicContact CB-CE2 4.13Å; F599-F669 HydrophobicContact CD2-CE2 4.46Å; F599-F669 HydrophobicContact CD2-CZ 4.42Å; Y602-F669 HydrophobicContact CD1-CB 4.28Å; Y602-F669 HydrophobicContact CD2-CB 4.03Å; Y602-F669 AromaticContact CD2-CD2 3.8Å; Y602-F669 HydrophobicContact CD2-CD2 3.8Å; Y602-F669 HydrophobicContact CD2-CG 4.42Å; Y602-F669 HydrophobicContact CE2-CD2 4.46Å; Y602-F669 HydrophobicContact CG-CB 3.9Å; Y602-F669 HydrophobicContact CG-CD2 4.32Å; Y665-F669 WeakPolarHBondContact O-CB 3.26Å; Y665-F669 PolarHBondContact O-N 3.45Å; P666-F669 WeakPolarHBondContact O-CB 3.29Å; P666-F669 PolarHBondContact O-N 2.97Å; Y667-F669 PolarHBondContact O-N 2.75Å
670F87.7Confident84.8Confident64 Ų6449.2 Ų49.228%0.28124%0.241SC..Hα-helixtrans-85.2-12.5178.9-68.6-64.8000114.6L484 W485 P666 Y667L484-F670 HydrophobicContact CB-CZ 4.1Å; L484-F670 HydrophobicContact CD2-CD1 4.25Å; L484-F670 HydrophobicContact CD2-CE1 3.53Å; L484-F670 HydrophobicContact CD2-CZ 3.74Å; L484-F670 HydrophobicContact CG-CE1 3.95Å; L484-F670 HydrophobicContact CG-CZ 3.68Å; W485-F670 HydrophobicContact CB-CE2 4.15Å; W485-F670 HydrophobicContact CE3-CE2 4.37Å; P666-F670 WeakPolarHBondContact O-CD2 3.41Å; P666-F670 PolarHBondContact O-N 3.24Å; Y667-F670 PolarHBondContact O-N 3.11Å
671L84.8Confident84.7Confident30 Ų3048.9 Ų48.916%0.15724%0.24CC..SBendtrans-61.2145.3171-72.4-178.1000113Y667 K678 Y681Y667-L671 HydrophobicContact CD1-CD1 4.08Å; Y667-L671 HydrophobicContact CD1-CD2 4.33Å; Y667-L671 HydrophobicContact CD1-CG 4.07Å; Y667-L671 HydrophobicContact CE1-CD1 3.93Å; Y667-L671 HydrophobicContact CE1-CD2 3.73Å; Y667-L671 HydrophobicContact CE1-CG 3.94Å; Y667-L671 PolarHBondContact O-N 2.94Å; Y667-L671 VanDerWaalsContact O-N 3.11Å; L671-K678 HydrophobicContact CB-CB 4.46Å; L671-K678 HydrophobicContact CB-CD 4.03Å; L671-K678 HydrophobicContact CB-CG 4.36Å; L671-K678 HydrophobicContact CD1-CB 4.34Å; L671-K678 HydrophobicContact CD1-CG 4.31Å; L671-Y681 HydrophobicContact CD1-CD1 3.73Å; L671-Y681 HydrophobicContact CD1-CD2 4.37Å; L671-Y681 HydrophobicContact CD1-CE1 4.26Å; L671-Y681 HydrophobicContact CD1-CG 3.79Å
672E77.4Confident84.5Confident141 Ų14152 Ų5266%0.65925%0.254SS*.PPolyproline II helixtrans-58.9129.3178.8-66.3-179.5153.900112.2
673P74.1Confident84.4Confident84 Ų8456.6 Ų56.655%0.54528%0.279SS..THydrogen-bonded Turntrans-61.1140.2174.3-22.334000112.2S675P673-S675 PolarHBondContact O-N 3.2Å
674K70.8Confident84.2Confident203 Ų20358.8 Ų58.888%0.88329%0.289SS*.THydrogen-bonded Turntrans62.516.5177.5-48.5178.8-178.3177.80115.6
675S82.1Confident84.1Confident27 Ų2759.3 Ų59.319%0.18929%0.292CS..  trans-80136.5171.3-173.70000111P673 K677 K678 E679P673-S675 PolarHBondContact O-N 3.2Å; S675-K677 PolarHBondContact O-N 2.8Å; S675-K678 WeakPolarHBondContact O-CA 3.37Å; S675-K678 VanDerWaalsContact O-CB 3.32Å; S675-K678 WeakPolarHBondContact O-CB 3.44Å; S675-K678 PolarHBondContact O-N 3.17Å; S675-E679 PolarHBondContact O-N 3.1Å
676T82.1Confident84Confident96 Ų9661.4 Ų61.459%0.58931%0.306SS*.Hα-helixtrans-58.3-30.8175.751.60000112.4K678 E679 I680T676-K678 VanDerWaalsContact C-N 3.26Å; T676-K678 PolarHBondContact O-N 3.09Å; T676-E679 PolarHBondContact O-N 3.33Å; T676-I680 WeakPolarHBondContact O-CG1 3.31Å; T676-I680 PolarHBondContact O-N 3.35Å
677K80.9Confident83.8Confident100 Ų10064 Ų6444%0.43532%0.319SS..Hα-helixtrans-58.4-37.5171.4-64.6-171.1171.4-153.20112.3S675 Y681 G732 V733S675-K677 PolarHBondContact O-N 2.8Å; K677-Y681 WeakPolarHBondContact O-CB 3.4Å; K677-Y681 PolarHBondContact O-N 3.33Å; K677-G732 WeakPolarHBondContact CD-O 3.41Å; K677-G732 VanDerWaalsContact CE-O 3.31Å; K677-G732 WeakPolarHBondContact CE-O 3.46Å; K677-G732 PolarHBondContact NZ-O 3.21Å; K677-V733 HydrophobicContact CB-CB 4.22Å; K677-V733 WeakPolarHBondContact O-CG1 3.19Å
678K84.2Confident83.7Confident20 Ų2062.2 Ų62.29%0.08731%0.312CS..Hα-helixtrans-71.8-39.8178.3-177.8165.3178.1151.90111.5Y602 G668 L671 S675 T676 Y681 E682Y602-K678 WeakPolarHBondContact OH-CE 3.46Å; Y602-K678 PolarHBondContact OH-NZ 2.96Å; G668-K678 PolarHBondContact O-NZ 3.45Å; L671-K678 HydrophobicContact CB-CB 4.46Å; L671-K678 HydrophobicContact CB-CD 4.03Å; L671-K678 HydrophobicContact CB-CG 4.36Å; L671-K678 HydrophobicContact CD1-CB 4.34Å; L671-K678 HydrophobicContact CD1-CG 4.31Å; S675-K678 WeakPolarHBondContact O-CA 3.37Å; S675-K678 VanDerWaalsContact O-CB 3.32Å; S675-K678 WeakPolarHBondContact O-CB 3.44Å; S675-K678 PolarHBondContact O-N 3.17Å; T676-K678 VanDerWaalsContact C-N 3.26Å; T676-K678 PolarHBondContact O-N 3.09Å; K678-Y681 PolarHBondContact O-N 2.85Å; K678-E682 WeakPolarHBondContact CE-OE1 3.31Å; K678-E682 HydrophobicContact CG-CG 4.26Å; K678-E682 IonicContact NZ-OE1 2.61Å; K678-E682 WeakPolarHBondContact O-CB 3.14Å; K678-E682 WeakPolarHBondContact O-CG 3.31Å; K678-E682 PolarHBondContact O-N 3.23Å
679E83.9Confident83.6Confident129 Ų12964.8 Ų64.860%0.60332%0.324SS*.Hα-helixtrans-64-43.5176.4-61.2-178.5164.800112.1S675 T676 L683S675-E679 PolarHBondContact O-N 3.1Å; T676-E679 PolarHBondContact O-N 3.33Å; E679-L683 WeakPolarHBondContact O-CB 3.45Å; E679-L683 PolarHBondContact O-N 3Å
680I86Confident83.4Confident59 Ų5968.2 Ų68.230%0.30334%0.342SS..Hα-helixtrans-63.7-43174.3-64.4166.1000110.5T676 L683 M684 V733 P735T676-I680 WeakPolarHBondContact O-CG1 3.31Å; T676-I680 PolarHBondContact O-N 3.35Å; I680-L683 PolarHBondContact O-N 3.49Å; I680-M684 HydrophobicContact CG2-SD 4.38Å; I680-M684 WeakPolarHBondContact O-CG 3.38Å; I680-M684 PolarHBondContact O-N 3.08Å; I680-V733 HydrophobicContact CB-CG1 3.87Å; I680-V733 HydrophobicContact CG2-CG1 3.61Å; I680-P735 HydrophobicContact CD1-CG 4.24Å
681Y88.3Confident83.4Confident3 Ų366.3 Ų66.31%0.01234%0.335CS..Hα-helixtrans-62-48177.5176.9-91.8000112.5S664 Y667 L671 K677 K678 L683 M684 Q685 F725 V729 V733S664-Y681 WeakPolarHBondContact CA-OH 3.46Å; S664-Y681 VanDerWaalsContact CB-OH 3.26Å; S664-Y681 WeakPolarHBondContact CB-OH 3.32Å; S664-Y681 PolarHBondContact O-OH 2.98Å; Y667-Y681 HydrophobicContact CD1-CD2 4.18Å; Y667-Y681 HydrophobicContact CD1-CE1 4.21Å; Y667-Y681 AromaticContact CD1-CE2 3.47Å; Y667-Y681 HydrophobicContact CD1-CE2 3.47Å; Y667-Y681 VanDerWaalsContact CD1-CE2 3.47Å; Y667-Y681 AromaticContact CD1-CZ 3.49Å; Y667-Y681 VanDerWaalsContact CD1-CZ 3.49Å; Y667-Y681 WeakPolarHBondContact CD1-OH 3.5Å; Y667-Y681 HydrophobicContact CE1-CD2 4.05Å; Y667-Y681 AromaticContact CE1-CE2 3.72Å; Y667-Y681 HydrophobicContact CE1-CE2 3.72Å; L671-Y681 HydrophobicContact CD1-CD1 3.73Å; L671-Y681 HydrophobicContact CD1-CD2 4.37Å; L671-Y681 HydrophobicContact CD1-CE1 4.26Å; L671-Y681 HydrophobicContact CD1-CG 3.79Å; K677-Y681 WeakPolarHBondContact O-CB 3.4Å; K677-Y681 PolarHBondContact O-N 3.33Å; K678-Y681 PolarHBondContact O-N 2.85Å; Y681-L683 VanDerWaalsContact C-N 3.3Å; Y681-L683 PolarHBondContact O-N 3.37Å; Y681-M684 PolarHBondContact O-N 3.03Å; Y681-Q685 VanDerWaalsContact O-CB 3.26Å; Y681-Q685 WeakPolarHBondContact O-CB 3.48Å; Y681-Q685 PolarHBondContact O-N 3.42Å; Y681-F725 HydrophobicContact CD2-CE2 4.05Å; Y681-F725 HydrophobicContact CD2-CZ 4.33Å; Y681-F725 AromaticContact CE2-CE2 3.63Å; Y681-F725 HydrophobicContact CE2-CE2 3.63Å; Y681-F725 AromaticContact CE2-CZ 3.47Å; Y681-F725 HydrophobicContact CE2-CZ 3.47Å; Y681-F725 VanDerWaalsContact CE2-CZ 3.47Å; Y681-F725 AromaticContact CZ-CZ 3.75Å; Y681-V729 HydrophobicContact CD2-CG2 4.09Å; Y681-V729 HydrophobicContact CE2-CG2 3.83Å; Y681-V733 HydrophobicContact CD2-CG2 4.44Å
682E85.1Confident83.4Confident65 Ų6564.9 Ų64.930%0.30433%0.328SS..Hα-helixtrans-67.2-30.6-179.8-72.2-179.3157.500111.9Y602 K678 T686Y602-E682 PolarHBondContact OH-OE1 3.42Å; K678-E682 WeakPolarHBondContact CE-OE1 3.31Å; K678-E682 HydrophobicContact CG-CG 4.26Å; K678-E682 IonicContact NZ-OE1 2.61Å; K678-E682 WeakPolarHBondContact O-CB 3.14Å; K678-E682 WeakPolarHBondContact O-CG 3.31Å; K678-E682 PolarHBondContact O-N 3.23Å; E682-T686 WeakPolarHBondContact O-CB 3.36Å; E682-T686 PolarHBondContact O-N 2.84Å; E682-T686 PolarHBondContact O-OG1 3.41Å
683L86.4Confident83.8Confident107 Ų10761.7 Ų61.756%0.5631%0.313SS*.Hα-helixtrans-64.4-53.6168.817962.1000111.5E679 I680 Y681 Q685 T686 D687E679-L683 WeakPolarHBondContact O-CB 3.45Å; E679-L683 PolarHBondContact O-N 3Å; I680-L683 PolarHBondContact O-N 3.49Å; Y681-L683 VanDerWaalsContact C-N 3.3Å; Y681-L683 PolarHBondContact O-N 3.37Å; L683-Q685 VanDerWaalsContact C-N 3.28Å; L683-Q685 PolarHBondContact O-N 3Å; L683-T686 WeakPolarHBondContact O-CB 3.32Å; L683-T686 PolarHBondContact O-N 3.37Å; L683-T686 VanDerWaalsContact O-N 3.08Å; L683-D687 PolarHBondContact O-N 3.04Å
684M86.6Confident84.2Confident46 Ų4660.5 Ų60.523%0.22730%0.302CS..Hα-helixtrans-64-33.3179.8-66.6-172.175.600112.7I680 Y681 L688 E724 F725 S728I680-M684 HydrophobicContact CG2-SD 4.38Å; I680-M684 WeakPolarHBondContact O-CG 3.38Å; I680-M684 PolarHBondContact O-N 3.08Å; Y681-M684 PolarHBondContact O-N 3.03Å; M684-L688 WeakPolarHBondContact O-CB 3.3Å; M684-L688 PolarHBondContact O-N 3.43Å; M684-E724 HydrophobicContact CE-CB 4.39Å; M684-F725 HydrophobicContact CB-CD2 4Å; M684-S728 VanDerWaalsContact SD-CB 3.57Å; M684-S728 PolarHBondContact SD-OG 3.49Å
685Q86.8Confident85Confident11 Ų1150.8 Ų50.85%0.05126%0.26CS..Hα-helixtrans-64.5-42.6172.3-172.7-175.316.800111.1L661 S664 Y665 Y681 L683 L688 E689 F725L661-Q685 HydrophobicContact CD2-CG 4.45Å; S664-Q685 PolarHBondContact OG-NE2 3.03Å; Y665-Q685 VanDerWaalsContact CD1-NE2 3.28Å; Y681-Q685 VanDerWaalsContact O-CB 3.26Å; Y681-Q685 WeakPolarHBondContact O-CB 3.48Å; Y681-Q685 PolarHBondContact O-N 3.42Å; L683-Q685 VanDerWaalsContact C-N 3.28Å; L683-Q685 PolarHBondContact O-N 3Å; Q685-L688 PolarHBondContact O-N 3.49Å; Q685-E689 WeakPolarHBondContact O-CB 3.38Å; Q685-E689 PolarHBondContact O-N 2.99Å; Q685-F725 HydrophobicContact CB-CE2 4.12Å
686T84.7Confident85.1Confident52 Ų5249.8 Ų49.832%0.31925%0.253SS..Hα-helixtrans-65-42.7176.4-570000111.4E682 L683 L688 E689 M690E682-T686 WeakPolarHBondContact O-CB 3.36Å; E682-T686 PolarHBondContact O-N 2.84Å; E682-T686 PolarHBondContact O-OG1 3.41Å; L683-T686 WeakPolarHBondContact O-CB 3.32Å; L683-T686 PolarHBondContact O-N 3.37Å; L683-T686 VanDerWaalsContact O-N 3.08Å; T686-L688 VanDerWaalsContact C-N 3.35Å; T686-L688 PolarHBondContact O-N 3.36Å; T686-E689 PolarHBondContact O-N 2.94Å; T686-M690 HydrophobicContact CG2-CE 4.27Å; T686-M690 HydrophobicContact CG2-SD 4.46Å; T686-M690 WeakPolarHBondContact O-CG 3.38Å; T686-M690 PolarHBondContact O-N 3.1Å
687D85.8Confident85.1Confident54 Ų5450.9 Ų50.929%0.28925%0.252SS..Hα-helixtrans-61.4-43176-73.3-10.7000111.5L683 M690 V691L683-D687 PolarHBondContact O-N 3.04Å; D687-M690 PolarHBondContact O-N 2.88Å; D687-M690 WeakPolarHBondContact OD1-CE 3.43Å; D687-V691 PolarHBondContact O-N 3.1Å
688L86.4Confident85.2Confident1 Ų148 Ų481%0.00524%0.239CC..Hα-helixtrans-65.4-43175.8-173.361.8000112T657 I660 L661 M684 Q685 T686 V691 T692 K721 R722 F725T657-L688 HydrophobicContact CG2-CD1 3.66Å; T657-L688 HydrophobicContact CG2-CD2 4.19Å; T657-L688 HydrophobicContact CG2-CG 3.9Å; I660-L688 HydrophobicContact CG2-CD2 4.29Å; L661-L688 HydrophobicContact CD2-CB 4.31Å; L661-L688 HydrophobicContact CD2-CD2 4.04Å; L661-L688 HydrophobicContact CD2-CG 4.08Å; L661-L688 HydrophobicContact CG-CD2 4.36Å; L661-L688 HydrophobicContact CG-CG 4.41Å; M684-L688 WeakPolarHBondContact O-CB 3.3Å; M684-L688 PolarHBondContact O-N 3.43Å; Q685-L688 PolarHBondContact O-N 3.49Å; T686-L688 VanDerWaalsContact C-N 3.35Å; T686-L688 PolarHBondContact O-N 3.36Å; L688-V691 HydrophobicContact CD1-CG2 4.34Å; L688-V691 WeakPolarHBondContact O-CG2 3.22Å; L688-T692 WeakPolarHBondContact O-CB 3.37Å; L688-T692 PolarHBondContact O-N 3.4Å; L688-T692 PolarHBondContact O-OG1 3.37Å; L688-K721 HydrophobicContact CD1-CB 3.87Å; L688-R722 HydrophobicContact CD1-CB 4.27Å; L688-F725 HydrophobicContact CD2-CB 4.13Å; L688-F725 HydrophobicContact CD2-CD1 3.88Å; L688-F725 HydrophobicContact CD2-CD2 4.49Å; L688-F725 HydrophobicContact CD2-CE1 4.41Å; L688-F725 HydrophobicContact CD2-CG 3.93Å
689E84.8Confident85.2Confident54 Ų5447.7 Ų47.725%0.25224%0.239SC..Hα-helixtrans-60.7-44.6176-171.5165.3-153.100110.7H609 L661 Y665 Q685 T686 T692 E693H609-E689 IonicContact CE1-OE1 2.91Å; H609-E689 PolarHBondContact CE1-OE1 3.16Å; H609-E689 IonicContact NE2-OE1 3.33Å; H609-E689 PolarHBondContact NE2-OE1 3.46Å; L661-E689 HydrophobicContact CD1-CB 4.39Å; L661-E689 HydrophobicContact CD2-CB 4.22Å; Y665-E689 PolarHBondContact OH-OE1 3.04Å; Y665-E689 PolarHBondContact OH-OE2 3.23Å; Q685-E689 WeakPolarHBondContact O-CB 3.38Å; Q685-E689 PolarHBondContact O-N 2.99Å; T686-E689 PolarHBondContact O-N 2.94Å; E689-T692 PolarHBondContact O-N 3.42Å; E689-E693 WeakPolarHBondContact O-CG 3.24Å; E689-E693 PolarHBondContact O-N 3.12Å
690M81.9Confident84.8Confident86 Ų8645.8 Ų45.842%0.42423%0.232SC..Hα-helixtrans-61.1-47178.1-72.7-173.3-58.100113.5T686 D687 T692 D694T686-M690 HydrophobicContact CG2-CE 4.27Å; T686-M690 HydrophobicContact CG2-SD 4.46Å; T686-M690 WeakPolarHBondContact O-CG 3.38Å; T686-M690 PolarHBondContact O-N 3.1Å; D687-M690 PolarHBondContact O-N 2.88Å; D687-M690 WeakPolarHBondContact OD1-CE 3.43Å; M690-T692 VanDerWaalsContact C-N 3.3Å; M690-T692 PolarHBondContact O-N 2.92Å; M690-D694 PolarHBondContact O-N 3.49Å; M690-D694 VanDerWaalsContact O-N 3.1Å
691V87.7Confident84.2Confident24 Ų2446.6 Ų46.615%0.14523%0.232CC..Hα-helixtrans-70.3-28.6178.1-61.90000112.4D687 L688 L695 L717 V718 K721D687-V691 PolarHBondContact O-N 3.1Å; L688-V691 HydrophobicContact CD1-CG2 4.34Å; L688-V691 WeakPolarHBondContact O-CG2 3.22Å; V691-L695 PolarHBondContact O-N 3.05Å; V691-L717 HydrophobicContact CG1-CD2 3.9Å; V691-L717 HydrophobicContact CG1-CG 4.09Å; V691-V718 HydrophobicContact CB-CG2 4.02Å; V691-V718 HydrophobicContact CG2-CG2 3.95Å; V691-V718 VanDerWaalsContact O-CG2 3.28Å; V691-V718 WeakPolarHBondContact O-CG2 3.33Å; V691-K721 HydrophobicContact CG2-CB 4.04Å; V691-K721 HydrophobicContact CG2-CG 4.17Å
692T84.8Confident83Confident0 Ų051.3 Ų51.30%026%0.263CS..Hα-helixtrans-69.2-44.4176.4-55.50000111.3L654 T657 L661 L688 E689 M690 L695 A696L654-T692 HydrophobicContact CD1-CG2 3.5Å; T657-T692 HydrophobicContact CG2-CG2 4.26Å; T657-T692 WeakPolarHBondContact CG2-OG1 3.43Å; L661-T692 HydrophobicContact CD1-CG2 3.9Å; L688-T692 WeakPolarHBondContact O-CB 3.37Å; L688-T692 PolarHBondContact O-N 3.4Å; L688-T692 PolarHBondContact O-OG1 3.37Å; E689-T692 PolarHBondContact O-N 3.42Å; M690-T692 VanDerWaalsContact C-N 3.3Å; M690-T692 PolarHBondContact O-N 2.92Å; T692-L695 PolarHBondContact O-N 2.85Å; T692-A696 WeakPolarHBondContact O-CB 3.33Å; T692-A696 PolarHBondContact O-N 2.85Å
693E86.3Confident82.3Confident75 Ų7550.9 Ų50.935%0.3526%0.259SS..Hα-helixtrans-67.9-33.8175.6-61.7-57.9170.500112.4H609 R658 E689 A696 Q697H609-E693 IonicContact CE1-OE1 3.63Å; R658-E693 IonicContact CZ-OE1 3.66Å; R658-E693 IonicContact CZ-OE2 3.47Å; R658-E693 VanDerWaalsContact NH1-CD 3.35Å; R658-E693 IonicContact NH1-OE1 3.58Å; R658-E693 PolarHBondContact NH1-OE1 2.81Å; R658-E693 IonicContact NH1-OE2 3.45Å; R658-E693 IonicContact NH2-OE1 2.7Å; R658-E693 PolarHBondContact NH2-OE1 3.17Å; R658-E693 IonicContact NH2-OE2 2.67Å; R658-E693 PolarHBondContact NH2-OE2 3.21Å; E689-E693 WeakPolarHBondContact O-CG 3.24Å; E689-E693 PolarHBondContact O-N 3.12Å; E693-A696 PolarHBondContact O-N 3.37Å; E693-Q697 WeakPolarHBondContact O-CB 3.44Å; E693-Q697 PolarHBondContact O-N 2.96Å
694D83.4Confident81.5Confident58 Ų5846.2 Ų46.231%0.3123%0.234SC..Hα-helixtrans-61.9-46.2172.216970.7000112M690 Q697 K698M690-D694 PolarHBondContact O-N 3.49Å; M690-D694 VanDerWaalsContact O-N 3.1Å; D694-Q697 PolarHBondContact O-N 3.1Å; D694-K698 WeakPolarHBondContact O-CD 3.28Å; D694-K698 VanDerWaalsContact O-CG 3.27Å; D694-K698 WeakPolarHBondContact O-CG 3.46Å; D694-K698 PolarHBondContact O-N 3.34Å; D694-K698 VanDerWaalsContact O-N 3.1Å; D694-K698 WeakPolarHBondContact OD1-CE 3.46Å; D694-K698 IonicContact OD1-NZ 3.35Å; D694-K698 PolarHBondContact OD1-NZ 2.91Å; D694-K698 WeakPolarHBondContact OD2-CE 3.43Å; D694-K698 IonicContact OD2-NZ 2.75Å; D694-K698 PolarHBondContact OD2-NZ 3.38Å
695L86.1Confident80.8Confident0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-63.4-46.4174.3-179.862000111.6A650 L654 V691 T692 Q697 K698 V699 A714 A715 V718A650-L695 HydrophobicContact CB-CD1 4.5Å; L654-L695 HydrophobicContact CB-CD2 4.02Å; V691-L695 PolarHBondContact O-N 3.05Å; T692-L695 PolarHBondContact O-N 2.85Å; L695-Q697 VanDerWaalsContact C-N 3.31Å; L695-Q697 PolarHBondContact O-N 3.49Å; L695-K698 PolarHBondContact O-N 3.06Å; L695-K698 VanDerWaalsContact O-N 3.1Å; L695-V699 HydrophobicContact CD1-CG2 3.97Å; L695-V699 HydrophobicContact CG-CG2 4.44Å; L695-V699 WeakPolarHBondContact O-CG2 3.22Å; L695-V699 PolarHBondContact O-N 2.81Å; L695-A714 HydrophobicContact CD1-CB 3.95Å; L695-A715 HydrophobicContact CD1-CB 4.45Å; L695-A715 HydrophobicContact CD2-CB 4.48Å; L695-V718 HydrophobicContact CB-CG2 3.88Å; L695-V718 HydrophobicContact CD2-CB 4.1Å; L695-V718 HydrophobicContact CD2-CG1 4.26Å; L695-V718 HydrophobicContact CD2-CG2 3.81Å; L695-V718 HydrophobicContact CG-CG2 4.48Å
696A85.4Confident80.4Confident6 Ų647.6 Ų47.65%0.0524%0.238CC..Hα-helixtrans-58.6-42.7176.500000111.7L654 T692 E693 K698 V699 N700L654-A696 HydrophobicContact CD1-CB 4.07Å; L654-A696 HydrophobicContact CD2-CB 4.01Å; T692-A696 WeakPolarHBondContact O-CB 3.33Å; T692-A696 PolarHBondContact O-N 2.85Å; E693-A696 PolarHBondContact O-N 3.37Å; A696-K698 VanDerWaalsContact C-N 3.26Å; A696-K698 PolarHBondContact O-N 3.19Å; A696-V699 PolarHBondContact O-N 3.45Å; A696-N700 WeakPolarHBondContact O-CB 3.44Å; A696-N700 PolarHBondContact O-N 3.08Å
697Q82.6Confident80.2Confident119 Ų11945.4 Ų45.456%0.55623%0.225SC*.Hα-helixtrans-71.7-16.6178.6-155.5-139.755.600113.3E693 D694 L695 R701E693-Q697 WeakPolarHBondContact O-CB 3.44Å; E693-Q697 PolarHBondContact O-N 2.96Å; D694-Q697 PolarHBondContact O-N 3.1Å; L695-Q697 VanDerWaalsContact C-N 3.31Å; L695-Q697 PolarHBondContact O-N 3.49Å; Q697-R701 WeakPolarHBondContact O-CD 3.32Å; Q697-R701 WeakPolarHBondContact O-CG 3.48Å; Q697-R701 PolarHBondContact O-NE 2.91Å
698K82.5Confident80.1Confident40 Ų4044.7 Ų44.717%0.17422%0.218CC..Hα-helixtrans-84-43.6171.2-70.6166179.1164.30111.5D694 L695 A696 T706 A714D694-K698 WeakPolarHBondContact O-CD 3.28Å; D694-K698 VanDerWaalsContact O-CG 3.27Å; D694-K698 WeakPolarHBondContact O-CG 3.46Å; D694-K698 PolarHBondContact O-N 3.34Å; D694-K698 VanDerWaalsContact O-N 3.1Å; D694-K698 WeakPolarHBondContact OD1-CE 3.46Å; D694-K698 IonicContact OD1-NZ 3.35Å; D694-K698 PolarHBondContact OD1-NZ 2.91Å; D694-K698 WeakPolarHBondContact OD2-CE 3.43Å; D694-K698 IonicContact OD2-NZ 2.75Å; D694-K698 PolarHBondContact OD2-NZ 3.38Å; L695-K698 PolarHBondContact O-N 3.06Å; L695-K698 VanDerWaalsContact O-N 3.1Å; A696-K698 VanDerWaalsContact C-N 3.26Å; A696-K698 PolarHBondContact O-N 3.19Å; K698-T706 HydrophobicContact CB-CG2 4.5Å; K698-T706 HydrophobicContact CG-CG2 4.21Å; K698-A714 HydrophobicContact CD-CB 4.09Å
699V83Confident79.8Confident13 Ų1345.4 Ų45.48%0.07922%0.221CC..Hα-helixtrans-80.8-38.3-174.4175.50000113I647 V651 L695 A696 R701 I711I647-V699 HydrophobicContact CD1-CG1 4.1Å; I647-V699 HydrophobicContact CD1-CG2 4.05Å; V651-V699 HydrophobicContact CG2-CG1 3.54Å; L695-V699 HydrophobicContact CD1-CG2 3.97Å; L695-V699 HydrophobicContact CG-CG2 4.44Å; L695-V699 WeakPolarHBondContact O-CG2 3.22Å; L695-V699 PolarHBondContact O-N 2.81Å; A696-V699 PolarHBondContact O-N 3.45Å; V699-R701 PolarHBondContact O-N 3.43Å; V699-I711 HydrophobicContact CG2-CG2 4.35Å
700N76.8Confident79.8Confident88 Ų8847.4 Ų47.447%0.47123%0.229SC..THydrogen-bonded Turntrans-83.520.3-176.7-165.615.7000113.8L619 A696L619-N700 HydrophobicContact CD1-CB 3.79Å; L619-N700 VanDerWaalsContact CD1-CG 3.43Å; L619-N700 VanDerWaalsContact CD1-OD1 3.26Å; L619-N700 WeakPolarHBondContact CD1-OD1 3.16Å; A696-N700 WeakPolarHBondContact O-CB 3.44Å; A696-N700 PolarHBondContact O-N 3.08Å
701R72.3Confident79.9Confident76 Ų7643.3 Ų43.329%0.28721%0.209SC..  trans-82.2134.8176.4-65.2-177.7178.7-159.9-2.2110Q697 V699 Y703Q697-R701 WeakPolarHBondContact O-CD 3.32Å; Q697-R701 WeakPolarHBondContact O-CG 3.48Å; Q697-R701 PolarHBondContact O-NE 2.91Å; V699-R701 PolarHBondContact O-N 3.43Å; R701-Y703 WeakPolarHBondContact CB-O 3.2Å; R701-Y703 PolarHBondContact O-N 3.45Å
702P64.2Low79.7Confident103 Ų10342.3 Ų42.367%0.66920%0.203SC*.SBendtrans-52.4-29.5171.9-29.136.3000113.3K626K626-P702 PolarHBondContact NZ-O 2.93Å
703Y69.8Low79.8Confident56 Ų5646.2 Ų46.222%0.2222%0.218CC..SBendtrans-129.3129170-52.7-80.9000110.6E187 E199 R701 R705E187-Y703 VanDerWaalsContact CD-CZ 3.4Å; E187-Y703 HydrophobicContact CG-CE2 4Å; E187-Y703 WeakPolarHBondContact CG-OH 3.37Å; E187-Y703 WeakPolarHBondContact OE1-CE2 3.45Å; E187-Y703 VanDerWaalsContact OE1-CZ 3.25Å; E187-Y703 PolarHBondContact OE1-OH 3.44Å; E187-Y703 WeakPolarHBondContact OE2-CE2 3.24Å; E199-Y703 VanDerWaalsContact OE1-CA 3.28Å; E199-Y703 WeakPolarHBondContact OE1-CA 3.49Å; R701-Y703 WeakPolarHBondContact CB-O 3.2Å; R701-Y703 PolarHBondContact O-N 3.45Å; Y703-R705 VanDerWaalsContact C-N 3.26Å; Y703-R705 PolarHBondContact O-N 2.88Å
704L70.6Confident79.8Confident8 Ų843 Ų434%0.04220%0.203CC..  trans-79.871-178.4-67.2173.8000109.7E199 V203 M627 L630 T706E199-L704 PolarHBondContact OE1-N 3.01Å; V203-L704 HydrophobicContact CG2-CB 3.54Å; V203-L704 HydrophobicContact CG2-CD1 4.31Å; V203-L704 VanDerWaalsContact CG2-O 3.32Å; V203-L704 WeakPolarHBondContact CG2-O 3.48Å; M627-L704 HydrophobicContact CE-CD1 3.62Å; L630-L704 HydrophobicContact CD1-CD1 4.36Å; L704-T706 PolarHBondContact O-N 3.17Å
705R70.8Confident80Confident71 Ų7140.2 Ų40.227%0.26819%0.189SC..  trans-63.2-2.5174-55.4-178.2-168.9918.9113.6F173 D184 M202 Y703F173-R705 WeakPolarHBondContact CE1-O 3.23Å; D184-R705 VanDerWaalsContact CG-NE 3.29Å; D184-R705 IonicContact OD1-CZ 2.65Å; D184-R705 IonicContact OD1-NE 3.76Å; D184-R705 PolarHBondContact OD1-NE 2.84Å; D184-R705 IonicContact OD1-NH2 2.78Å; D184-R705 PolarHBondContact OD1-NH2 2.66Å; D184-R705 IonicContact OD2-CZ 3.18Å; D184-R705 IonicContact OD2-NE 2.67Å; D184-R705 PolarHBondContact OD2-NE 3.36Å; M202-R705 HydrophobicContact CE-CB 4.07Å; Y703-R705 VanDerWaalsContact C-N 3.26Å; Y703-R705 PolarHBondContact O-N 2.88Å
706T78.4Confident80Confident16 Ų1641 Ų4110%0.09819%0.194CC..SBendtrans-104.2126.2-176.148.20000111K698 L704 I711K698-T706 HydrophobicContact CB-CG2 4.5Å; K698-T706 HydrophobicContact CG-CG2 4.21Å; L704-T706 PolarHBondContact O-N 3.17Å; T706-I711 WeakPolarHBondContact O-CD1 3.47Å
707P80.9Confident80.1Confident6 Ų644 Ų444%0.03921%0.209CC..  trans-68.4151.6179.930.3-36.8000112.2F173 S205 H709 K710 I711F173-P707 HydrophobicContact CE1-CG 4.48Å; F173-P707 HydrophobicContact CZ-CB 4.13Å; F173-P707 HydrophobicContact CZ-CG 4.26Å; S205-P707 WeakPolarHBondContact OG-CB 3.4Å; P707-H709 VanDerWaalsContact C-N 3.26Å; P707-H709 WeakPolarHBondContact CG-CE1 3.41Å; P707-H709 PolarHBondContact O-N 2.84Å; P707-H709 VanDerWaalsContact O-N 3.12Å; P707-K710 HydrophobicContact CG-CB 4.29Å; P707-K710 HydrophobicContact CG-CD 3.98Å; P707-K710 HydrophobicContact CG-CG 3.98Å; P707-K710 PolarHBondContact O-N 2.89Å; P707-I711 PolarHBondContact O-N 3.14Å
708R82.8Confident80.5Confident39 Ų3938.3 Ų38.315%0.14718%0.183CC..Hα-helixtrans-45.3-46.1-177174.8164171.7-92.1-6.7112.9V203 E214 D643 F646 K710 I711 I712V203-R708 WeakPolarHBondContact O-CB 3.4Å; V203-R708 PolarHBondContact O-N 2.82Å; E214-R708 IonicContact OE1-CZ 2.62Å; E214-R708 IonicContact OE1-NH1 2.66Å; E214-R708 PolarHBondContact OE1-NH1 2.91Å; E214-R708 IonicContact OE1-NH2 3.27Å; E214-R708 IonicContact OE2-CZ 2.75Å; E214-R708 IonicContact OE2-NH1 3.91Å; E214-R708 PolarHBondContact OE2-NH1 3.49Å; E214-R708 IonicContact OE2-NH2 3.41Å; E214-R708 PolarHBondContact OE2-NH2 3.22Å; D643-R708 IonicContact OD2-CZ 3.56Å; D643-R708 IonicContact OD2-NE 3.1Å; D643-R708 PolarHBondContact OD2-NE 3.31Å; D643-R708 IonicContact OD2-NH2 2.71Å; D643-R708 PolarHBondContact OD2-NH2 2.6Å; F646-R708 HydrophobicContact CD1-CG 3.92Å; F646-R708 HydrophobicContact CD2-CB 4.44Å; F646-R708 HydrophobicContact CD2-CG 3.77Å; F646-R708 HydrophobicContact CE1-CB 4.49Å; F646-R708 HydrophobicContact CE1-CG 3.93Å; F646-R708 HydrophobicContact CE2-CB 4Å; F646-R708 HydrophobicContact CE2-CG 3.78Å; F646-R708 HydrophobicContact CG-CG 3.83Å; F646-R708 HydrophobicContact CZ-CB 4.01Å; F646-R708 HydrophobicContact CZ-CG 3.85Å; R708-K710 VanDerWaalsContact C-N 3.34Å; R708-K710 PolarHBondContact O-N 3.19Å; R708-I711 PolarHBondContact O-N 3.25Å; R708-I711 VanDerWaalsContact O-N 3.15Å; R708-I712 HydrophobicContact CG-CD1 3.68Å; R708-I712 HydrophobicContact CG-CG1 4.41Å; R708-I712 WeakPolarHBondContact O-CG1 3.26Å; R708-I712 PolarHBondContact O-N 3.36Å
709H80.5Confident80.7Confident15 Ų1536.9 Ų36.97%0.06918%0.177CC..Hα-helixtrans-62.1-32.618068.9-97.5000114.3A210 I213 P707 R713A210-H709 HydrophobicContact CB-CB 4.09Å; I213-H709 HydrophobicContact CD1-CB 4.03Å; P707-H709 VanDerWaalsContact C-N 3.26Å; P707-H709 WeakPolarHBondContact CG-CE1 3.41Å; P707-H709 PolarHBondContact O-N 2.84Å; P707-H709 VanDerWaalsContact O-N 3.12Å; H709-R713 VanDerWaalsContact O-CB 3.28Å; H709-R713 WeakPolarHBondContact O-CB 3.32Å; H709-R713 PolarHBondContact O-N 2.9Å
710K84.1Confident80.9Confident97 Ų9740.9 Ų40.942%0.42219%0.194SC..Hα-helixtrans-77.4-28.7176.4-68.3-174-175.7-179.80112.5P707 R708 A714P707-K710 HydrophobicContact CG-CB 4.29Å; P707-K710 HydrophobicContact CG-CD 3.98Å; P707-K710 HydrophobicContact CG-CG 3.98Å; P707-K710 PolarHBondContact O-N 2.89Å; R708-K710 VanDerWaalsContact C-N 3.34Å; R708-K710 PolarHBondContact O-N 3.19Å; K710-A714 WeakPolarHBondContact O-CB 3.38Å; K710-A714 PolarHBondContact O-N 3.38Å; K710-A714 VanDerWaalsContact O-N 3.17Å
711I85.7Confident81.4Confident0 Ų039.6 Ų39.60%019%0.185CC..Hα-helixtrans-70.7-48.6172.8-61.6168.4000109.3F646 I647 A650 V699 T706 P707 R708 A714 A715F646-I711 HydrophobicContact CD2-CG2 4.26Å; F646-I711 HydrophobicContact CE2-CB 4.39Å; F646-I711 HydrophobicContact CE2-CD1 4.03Å; F646-I711 HydrophobicContact CE2-CG2 4.35Å; I647-I711 HydrophobicContact CD1-CD1 4.22Å; I647-I711 HydrophobicContact CD1-CG2 4.02Å; A650-I711 HydrophobicContact CB-CG2 3.98Å; V699-I711 HydrophobicContact CG2-CG2 4.35Å; T706-I711 WeakPolarHBondContact O-CD1 3.47Å; P707-I711 PolarHBondContact O-N 3.14Å; R708-I711 PolarHBondContact O-N 3.25Å; R708-I711 VanDerWaalsContact O-N 3.15Å; I711-A714 PolarHBondContact O-N 2.86Å; I711-A715 PolarHBondContact O-N 3.07Å
712I83.8Confident82.2Confident2 Ų236.9 Ų36.91%0.0117%0.174CC..Hα-helixtrans-59.7-49.3176.7-64.4168.8000110.8I213 E214 Y217 F646 R708 A714 A715 C716I213-I712 HydrophobicContact CG2-CB 4.28Å; I213-I712 HydrophobicContact CG2-CG2 3.76Å; E214-I712 HydrophobicContact CG-CD1 4.48Å; Y217-I712 HydrophobicContact CD1-CG2 3.87Å; Y217-I712 HydrophobicContact CD2-CG2 3.89Å; Y217-I712 HydrophobicContact CE1-CG2 4.37Å; Y217-I712 HydrophobicContact CE2-CG2 4.38Å; Y217-I712 HydrophobicContact CG-CG2 3.58Å; F646-I712 HydrophobicContact CB-CD1 4.01Å; F646-I712 HydrophobicContact CB-CG1 3.93Å; F646-I712 HydrophobicContact CD2-CG1 4.2Å; F646-I712 HydrophobicContact CG-CD1 4.43Å; F646-I712 HydrophobicContact CG-CG1 4.39Å; R708-I712 HydrophobicContact CG-CD1 3.68Å; R708-I712 HydrophobicContact CG-CG1 4.41Å; R708-I712 WeakPolarHBondContact O-CG1 3.26Å; R708-I712 PolarHBondContact O-N 3.36Å; I712-A714 VanDerWaalsContact C-N 3.26Å; I712-A714 PolarHBondContact O-N 3.23Å; I712-A715 PolarHBondContact O-N 3.39Å; I712-A715 VanDerWaalsContact O-N 3.12Å; I712-C716 PolarHBondContact O-N 3.18Å; I712-C716 PolarHBondContact O-SG 2.84Å
713R84.9Confident83.2Confident83 Ų8333.8 Ų33.831%0.31315%0.151SC..Hα-helixtrans-59.4-35.6178.2-166.3-173-73.5170.80.5112.2E209 I213 H709 L717E209-R713 IonicContact OE2-CZ 2.61Å; E209-R713 IonicContact OE2-NH1 3.02Å; E209-R713 IonicContact OE2-NH2 2.78Å; E209-R713 PolarHBondContact OE2-NH2 3.02Å; I213-R713 HydrophobicContact CG2-CB 4.43Å; H709-R713 VanDerWaalsContact O-CB 3.28Å; H709-R713 WeakPolarHBondContact O-CB 3.32Å; H709-R713 PolarHBondContact O-N 2.9Å; R713-L717 WeakPolarHBondContact O-CB 3.47Å; R713-L717 PolarHBondContact O-N 3.29Å; R713-L717 VanDerWaalsContact O-N 3.12Å
714A87.3Confident84Confident6 Ų634.3 Ų34.35%0.0516%0.155CC..Hα-helixtrans-70.1-42174.400000112.4L695 K698 K710 I711 I712 L717 V718L695-A714 HydrophobicContact CD1-CB 3.95Å; K698-A714 HydrophobicContact CD-CB 4.09Å; K710-A714 WeakPolarHBondContact O-CB 3.38Å; K710-A714 PolarHBondContact O-N 3.38Å; K710-A714 VanDerWaalsContact O-N 3.17Å; I711-A714 PolarHBondContact O-N 2.86Å; I712-A714 VanDerWaalsContact C-N 3.26Å; I712-A714 PolarHBondContact O-N 3.23Å; A714-L717 PolarHBondContact O-N 3.36Å; A714-V718 WeakPolarHBondContact O-CG2 3.18Å; A714-V718 PolarHBondContact O-N 2.82Å
715A88.5Confident84.9Confident1 Ų134 Ų341%0.00815%0.154CC..Hα-helixtrans-62.3-42.8174.400000112A650 L695 I711 I712 L717 V718 Q719A650-A715 HydrophobicContact CB-CB 4.04Å; L695-A715 HydrophobicContact CD1-CB 4.45Å; L695-A715 HydrophobicContact CD2-CB 4.48Å; I711-A715 PolarHBondContact O-N 3.07Å; I712-A715 PolarHBondContact O-N 3.39Å; I712-A715 VanDerWaalsContact O-N 3.12Å; A715-L717 VanDerWaalsContact C-N 3.33Å; A715-L717 PolarHBondContact O-N 3.24Å; A715-V718 PolarHBondContact O-N 3.3Å; A715-Q719 WeakPolarHBondContact O-CB 3.48Å; A715-Q719 PolarHBondContact O-N 3.46Å
716C86Confident85.6Confident16 Ų1631.8 Ų31.811%0.10815%0.147CC..Hα-helixtrans-57.3-45.1173.2-62.30000111.8Y217 L220 I712 Q719 Q720Y217-C716 VanDerWaalsContact CD2-SG 3.52Å; L220-C716 HydrophobicContact CD1-CB 3.85Å; I712-C716 PolarHBondContact O-N 3.18Å; I712-C716 PolarHBondContact O-SG 2.84Å; C716-Q719 PolarHBondContact O-N 2.96Å; C716-Q720 WeakPolarHBondContact O-CB 3.2Å; C716-Q720 PolarHBondContact O-N 3.43Å
717L87.8Confident85.8Confident69 Ų6931.7 Ų31.736%0.36115%0.148SC..Hα-helixtrans-65.7-41.9179.5179.161.4000112.1V691 R713 A714 A715 Q720 K721V691-L717 HydrophobicContact CG1-CD2 3.9Å; V691-L717 HydrophobicContact CG1-CG 4.09Å; R713-L717 WeakPolarHBondContact O-CB 3.47Å; R713-L717 PolarHBondContact O-N 3.29Å; R713-L717 VanDerWaalsContact O-N 3.12Å; A714-L717 PolarHBondContact O-N 3.36Å; A715-L717 VanDerWaalsContact C-N 3.33Å; A715-L717 PolarHBondContact O-N 3.24Å; L717-Q720 PolarHBondContact O-N 3.3Å; L717-K721 HydrophobicContact CD1-CG 4.15Å; L717-K721 WeakPolarHBondContact O-CB 2.96Å; L717-K721 VanDerWaalsContact O-CG 3.29Å; L717-K721 WeakPolarHBondContact O-CG 3.45Å; L717-K721 PolarHBondContact O-N 3.25Å
718V89.6Confident86Confident0 Ų031.8 Ų31.80%015%0.148CC..Hα-helixtrans-61.1-49.5173.7169.30000110.5E653 T657 V691 L695 A714 A715 Q720 K721 R722E653-V718 HydrophobicContact CG-CG1 4.17Å; T657-V718 HydrophobicContact CG2-CG1 3.97Å; T657-V718 VanDerWaalsContact OG1-CG1 3.32Å; T657-V718 WeakPolarHBondContact OG1-CG1 3.39Å; V691-V718 HydrophobicContact CB-CG2 4.02Å; V691-V718 HydrophobicContact CG2-CG2 3.95Å; V691-V718 VanDerWaalsContact O-CG2 3.28Å; V691-V718 WeakPolarHBondContact O-CG2 3.33Å; L695-V718 HydrophobicContact CB-CG2 3.88Å; L695-V718 HydrophobicContact CD2-CB 4.1Å; L695-V718 HydrophobicContact CD2-CG1 4.26Å; L695-V718 HydrophobicContact CD2-CG2 3.81Å; L695-V718 HydrophobicContact CG-CG2 4.48Å; A714-V718 WeakPolarHBondContact O-CG2 3.18Å; A714-V718 PolarHBondContact O-N 2.82Å; A715-V718 PolarHBondContact O-N 3.3Å; V718-Q720 PolarHBondContact O-N 2.79Å; V718-K721 PolarHBondContact O-N 3.48Å; V718-R722 VanDerWaalsContact O-CB 3.26Å; V718-R722 WeakPolarHBondContact O-CB 3.43Å; V718-R722 PolarHBondContact O-N 3.11Å
719Q87.6Confident86.1Confident10 Ų1030.3 Ų30.35%0.04714%0.144CC..Hα-helixtrans-59.7-42.8178.3-168.1-17525.900112.2E653 A715 C716 R722 Q723E653-Q719 HydrophobicContact CG-CB 4.03Å; E653-Q719 WeakPolarHBondContact OE1-CA 3.45Å; A715-Q719 WeakPolarHBondContact O-CB 3.48Å; A715-Q719 PolarHBondContact O-N 3.46Å; C716-Q719 PolarHBondContact O-N 2.96Å; Q719-R722 WeakPolarHBondContact O-CB 3.3Å; Q719-Q723 WeakPolarHBondContact O-CG 3.45Å; Q719-Q723 PolarHBondContact O-N 3.21Å
720Q86.4Confident86.1Confident96 Ų9631.1 Ų31.145%0.44915%0.153SC..Hα-helixtrans-62.6-50.1174.6179.3-178.2-16.700111.1C716 L717 V718 R722 Q723 E724C716-Q720 WeakPolarHBondContact O-CB 3.2Å; C716-Q720 PolarHBondContact O-N 3.43Å; L717-Q720 PolarHBondContact O-N 3.3Å; V718-Q720 PolarHBondContact O-N 2.79Å; Q720-R722 VanDerWaalsContact C-N 3.29Å; Q720-R722 PolarHBondContact O-N 3.19Å; Q720-Q723 PolarHBondContact O-N 3.48Å; Q720-Q723 VanDerWaalsContact O-N 3.16Å; Q720-E724 HydrophobicContact CG-CG 4.38Å; Q720-E724 WeakPolarHBondContact CG-OE1 3.45Å; Q720-E724 PolarHBondContact NE2-OE1 2.95Å; Q720-E724 WeakPolarHBondContact O-CG 3.48Å; Q720-E724 PolarHBondContact O-N 3.45Å
721K88Confident86Confident62 Ų6231.9 Ų31.927%0.2715%0.153SC..Hα-helixtrans-64-35.4-179.4-72.2-73.1158.2-158.60112.1L688 V691 L717 V718 E724 F725L688-K721 HydrophobicContact CD1-CB 3.87Å; V691-K721 HydrophobicContact CG2-CB 4.04Å; V691-K721 HydrophobicContact CG2-CG 4.17Å; L717-K721 HydrophobicContact CD1-CG 4.15Å; L717-K721 WeakPolarHBondContact O-CB 2.96Å; L717-K721 VanDerWaalsContact O-CG 3.29Å; L717-K721 WeakPolarHBondContact O-CG 3.45Å; L717-K721 PolarHBondContact O-N 3.25Å; V718-K721 PolarHBondContact O-N 3.48Å; K721-E724 WeakPolarHBondContact CE-OE2 3.49Å; K721-E724 IonicContact NZ-OE2 2.71Å; K721-E724 PolarHBondContact NZ-OE2 3.43Å; K721-E724 PolarHBondContact O-N 3.32Å; K721-F725 VanDerWaalsContact O-CB 3.24Å; K721-F725 WeakPolarHBondContact O-CB 3.46Å; K721-F725 PolarHBondContact O-N 3.09Å
722R89.4Confident85.5Confident19 Ų1933.3 Ų33.37%0.07217%0.168CC..Hα-helixtrans-60.6-48.7171.4-169.6-165.791-164.25.1111.3E224 E653 K656 T657 I660 L688 V718 Q719 Q720 F725 L726E224-R722 IonicContact OE1-NH2 2.84Å; E224-R722 PolarHBondContact OE1-NH2 3.44Å; E653-R722 WeakPolarHBondContact OE1-CD 3.34Å; E653-R722 IonicContact OE1-CZ 3.64Å; E653-R722 IonicContact OE1-NE 2.72Å; E653-R722 IonicContact OE1-NH1 2.75Å; E653-R722 PolarHBondContact OE1-NH1 3.17Å; E653-R722 IonicContact OE2-CZ 3.06Å; E653-R722 IonicContact OE2-NH1 3.63Å; E653-R722 PolarHBondContact OE2-NH1 3.28Å; K656-R722 VanDerWaalsContact CD-NH1 3.28Å; T657-R722 VanDerWaalsContact OG1-CD 3.3Å; T657-R722 WeakPolarHBondContact OG1-CD 3.33Å; I660-R722 HydrophobicContact CD1-CG 3.44Å; I660-R722 VanDerWaalsContact CD1-CG 3.44Å; L688-R722 HydrophobicContact CD1-CB 4.27Å; V718-R722 VanDerWaalsContact O-CB 3.26Å; V718-R722 WeakPolarHBondContact O-CB 3.43Å; V718-R722 PolarHBondContact O-N 3.11Å; Q719-R722 WeakPolarHBondContact O-CB 3.3Å; Q720-R722 VanDerWaalsContact C-N 3.29Å; Q720-R722 PolarHBondContact O-N 3.19Å; R722-F725 PolarHBondContact O-N 3.11Å; R722-L726 WeakPolarHBondContact O-CG 3.37Å; R722-L726 PolarHBondContact O-N 3.4Å
723Q85.1Confident84.7Confident37 Ų3733.3 Ų33.317%0.17317%0.168CC..Hα-helixtrans-64.1-44.1176.8-72.4175.913.900112Q719 Q720 F725 L726 A727Q719-Q723 WeakPolarHBondContact O-CG 3.45Å; Q719-Q723 PolarHBondContact O-N 3.21Å; Q720-Q723 PolarHBondContact O-N 3.48Å; Q720-Q723 VanDerWaalsContact O-N 3.16Å; Q723-F725 PolarHBondContact O-N 3.08Å; Q723-L726 PolarHBondContact O-N 2.88Å; Q723-A727 WeakPolarHBondContact O-CB 3.46Å; Q723-A727 PolarHBondContact O-N 2.89Å
724E86.1Confident82.8Confident67 Ų6731.5 Ų31.531%0.31317%0.171SC..Hα-helixtrans-60.3-42.5175.6-73.9175.1-173.800112.2M684 Q720 K721 S728M684-E724 HydrophobicContact CE-CB 4.39Å; Q720-E724 HydrophobicContact CG-CG 4.38Å; Q720-E724 WeakPolarHBondContact CG-OE1 3.45Å; Q720-E724 PolarHBondContact NE2-OE1 2.95Å; Q720-E724 WeakPolarHBondContact O-CG 3.48Å; Q720-E724 PolarHBondContact O-N 3.45Å; K721-E724 WeakPolarHBondContact CE-OE2 3.49Å; K721-E724 IonicContact NZ-OE2 2.71Å; K721-E724 PolarHBondContact NZ-OE2 3.43Å; K721-E724 PolarHBondContact O-N 3.32Å; E724-S728 WeakPolarHBondContact O-CB 3.45Å; E724-S728 PolarHBondContact O-N 3.49Å
725F88.5Confident80.7Confident3 Ų336 Ų361%0.01320%0.2CC..Hα-helixtrans-62.8-53.9176.8176.7-101.4000111.8P476 I660 Y681 M684 Q685 L688 K721 R722 Q723 A727 S728 V729P476-F725 HydrophobicContact CB-CE1 4.17Å; P476-F725 HydrophobicContact CG-CE1 3.94Å; P476-F725 HydrophobicContact CG-CZ 4.2Å; I660-F725 HydrophobicContact CG2-CD1 3.84Å; I660-F725 HydrophobicContact CG2-CE1 3.71Å; Y681-F725 HydrophobicContact CD2-CE2 4.05Å; Y681-F725 HydrophobicContact CD2-CZ 4.33Å; Y681-F725 AromaticContact CE2-CE2 3.63Å; Y681-F725 HydrophobicContact CE2-CE2 3.63Å; Y681-F725 AromaticContact CE2-CZ 3.47Å; Y681-F725 HydrophobicContact CE2-CZ 3.47Å; Y681-F725 VanDerWaalsContact CE2-CZ 3.47Å; Y681-F725 AromaticContact CZ-CZ 3.75Å; M684-F725 HydrophobicContact CB-CD2 4Å; Q685-F725 HydrophobicContact CB-CE2 4.12Å; L688-F725 HydrophobicContact CD2-CB 4.13Å; L688-F725 HydrophobicContact CD2-CD1 3.88Å; L688-F725 HydrophobicContact CD2-CD2 4.49Å; L688-F725 HydrophobicContact CD2-CE1 4.41Å; L688-F725 HydrophobicContact CD2-CG 3.93Å; K721-F725 VanDerWaalsContact O-CB 3.24Å; K721-F725 WeakPolarHBondContact O-CB 3.46Å; K721-F725 PolarHBondContact O-N 3.09Å; R722-F725 PolarHBondContact O-N 3.11Å; Q723-F725 PolarHBondContact O-N 3.08Å; F725-A727 VanDerWaalsContact C-N 3.34Å; F725-A727 PolarHBondContact O-N 3.04Å; F725-S728 WeakPolarHBondContact O-CB 3.43Å; F725-S728 PolarHBondContact O-N 3.19Å; F725-S728 VanDerWaalsContact O-N 3.09Å; F725-V729 HydrophobicContact CZ-CG2 4.45Å; F725-V729 PolarHBondContact O-N 2.85Å
726L86.8Confident78.3Confident24 Ų2440.9 Ų40.913%0.12623%0.226CC..Hα-helixtrans-61.3-41.2178.5-64.4176.8000111.8L452 E475 P476 I660 R722 Q723 S728 V729 A730L452-L726 HydrophobicContact CD1-CB 4.31Å; L452-L726 HydrophobicContact CD1-CD2 3.84Å; E475-L726 HydrophobicContact CB-CD2 4.04Å; P476-L726 HydrophobicContact CB-CD2 4.44Å; I660-L726 HydrophobicContact CD1-CD1 3.9Å; I660-L726 HydrophobicContact CD1-CD2 4.33Å; I660-L726 HydrophobicContact CD1-CG 4.4Å; I660-L726 HydrophobicContact CG1-CD2 4.45Å; I660-L726 HydrophobicContact CG2-CD2 4.07Å; R722-L726 WeakPolarHBondContact O-CG 3.37Å; R722-L726 PolarHBondContact O-N 3.4Å; Q723-L726 PolarHBondContact O-N 2.88Å; L726-S728 VanDerWaalsContact C-N 3.27Å; L726-S728 PolarHBondContact O-N 3.07Å; L726-V729 PolarHBondContact O-N 2.96Å; L726-A730 WeakPolarHBondContact O-CB 3.14Å; L726-A730 PolarHBondContact O-N 3.09Å
727A82.9Confident76Confident14 Ų1448 Ų4812%0.11626%0.263CS..Hα-helixtrans-70-20.1176.600000113.7F449 Q723 F725 R731F449-A727 HydrophobicContact CD1-CB 4.04Å; F449-A727 HydrophobicContact CE1-CB 4.48Å; Q723-A727 WeakPolarHBondContact O-CB 3.46Å; Q723-A727 PolarHBondContact O-N 2.89Å; F725-A727 VanDerWaalsContact C-N 3.34Å; F725-A727 PolarHBondContact O-N 3.04Å; A727-R731 WeakPolarHBondContact O-CG 3.2Å; A727-R731 PolarHBondContact O-NE 2.94Å
728S84.4Confident73.4Confident7 Ų749.6 Ų49.65%0.04928%0.28CS..Hα-helixtrans-76.9-44.7169.7-169.10000111.2M684 E724 F725 L726 R731 G732 V733M684-S728 VanDerWaalsContact SD-CB 3.57Å; M684-S728 PolarHBondContact SD-OG 3.49Å; E724-S728 WeakPolarHBondContact O-CB 3.45Å; E724-S728 PolarHBondContact O-N 3.49Å; F725-S728 WeakPolarHBondContact O-CB 3.43Å; F725-S728 PolarHBondContact O-N 3.19Å; F725-S728 VanDerWaalsContact O-N 3.09Å; L726-S728 VanDerWaalsContact C-N 3.27Å; L726-S728 PolarHBondContact O-N 3.07Å; S728-R731 PolarHBondContact O-N 2.74Å; S728-G732 PolarHBondContact O-N 2.76Å; S728-V733 WeakPolarHBondContact O-CA 3.16Å; S728-V733 PolarHBondContact O-N 2.61Å
729V84.9Confident70.9Confident9 Ų954.6 Ų54.66%0.05531%0.312CS..Hα-helixtrans-60.5-46.5174.2176.10000111.3L452 P476 Y667 Y681 F725 L726 R731 G732L452-V729 HydrophobicContact CD2-CB 4.28Å; L452-V729 HydrophobicContact CD2-CG1 3.84Å; P476-V729 HydrophobicContact CB-CB 4.45Å; P476-V729 HydrophobicContact CB-CG1 4.04Å; P476-V729 HydrophobicContact CB-CG2 4.07Å; Y667-V729 HydrophobicContact CE1-CG1 4.3Å; Y667-V729 HydrophobicContact CE2-CG1 4.19Å; Y681-V729 HydrophobicContact CD2-CG2 4.09Å; Y681-V729 HydrophobicContact CE2-CG2 3.83Å; F725-V729 HydrophobicContact CZ-CG2 4.45Å; F725-V729 PolarHBondContact O-N 2.85Å; L726-V729 PolarHBondContact O-N 2.96Å; V729-R731 PolarHBondContact O-N 3.28Å; V729-R731 VanDerWaalsContact O-N 3.16Å; V729-G732 WeakPolarHBondContact O-CA 3.28Å; V729-G732 PolarHBondContact O-N 2.76Å
730A81.3Confident68.2Low32 Ų3262.7 Ų62.726%0.26435%0.35SS..Hα-helixtrans-60.4-26.117900000113.5P450 L452 L726 G732P450-A730 HydrophobicContact CG-CB 4.27Å; P450-A730 WeakPolarHBondContact O-CB 3.27Å; L452-A730 HydrophobicContact CD2-CB 3.76Å; L452-A730 HydrophobicContact CG-CB 4.17Å; L726-A730 WeakPolarHBondContact O-CB 3.14Å; L726-A730 PolarHBondContact O-N 3.09Å; A730-G732 VanDerWaalsContact C-N 3.31Å
731R80.1Confident65.6Low112 Ų11261.9 Ų61.942%0.42336%0.36SS..THydrogen-bonded Turntrans-91.613.5173.7-65.2-179.9-62.5138.33113.2P450 A727 S728 V729 V733 N736P450-R731 HydrophobicContact CG-CG 3.92Å; A727-R731 WeakPolarHBondContact O-CG 3.2Å; A727-R731 PolarHBondContact O-NE 2.94Å; S728-R731 PolarHBondContact O-N 2.74Å; V729-R731 PolarHBondContact O-N 3.28Å; V729-R731 VanDerWaalsContact O-N 3.16Å; R731-V733 VanDerWaalsContact C-N 3.29Å; R731-V733 PolarHBondContact O-N 2.91Å; R731-N736 PolarHBondContact NH1-OD1 3.37Å
732G75.6Confident62.8Low30 Ų3064.9 Ų64.931%0.30939%0.385SS..THydrogen-bonded Turntrans6628.3178.600000114K677 S728 V729 A730 A734K677-G732 WeakPolarHBondContact CD-O 3.41Å; K677-G732 VanDerWaalsContact CE-O 3.31Å; K677-G732 WeakPolarHBondContact CE-O 3.46Å; K677-G732 PolarHBondContact NZ-O 3.21Å; S728-G732 PolarHBondContact O-N 2.76Å; V729-G732 WeakPolarHBondContact O-CA 3.28Å; V729-G732 PolarHBondContact O-N 2.76Å; A730-G732 VanDerWaalsContact C-N 3.31Å; G732-A734 VanDerWaalsContact C-N 3.29Å; G732-A734 PolarHBondContact O-N 2.92Å
733V66.9Low59.9Low3 Ų375 Ų752%0.01842%0.424CS..THydrogen-bonded Turntrans52.342.6-178.1-155.90000113K677 I680 Y681 S728 R731K677-V733 HydrophobicContact CB-CB 4.22Å; K677-V733 WeakPolarHBondContact O-CG1 3.19Å; I680-V733 HydrophobicContact CB-CG1 3.87Å; I680-V733 HydrophobicContact CG2-CG1 3.61Å; Y681-V733 HydrophobicContact CD2-CG2 4.44Å; S728-V733 WeakPolarHBondContact O-CA 3.16Å; S728-V733 PolarHBondContact O-N 2.61Å; R731-V733 VanDerWaalsContact C-N 3.29Å; R731-V733 PolarHBondContact O-N 2.91Å
734A46.7Very low57.4Low45 Ų4584.9 Ų84.937%0.37246%0.459SS..  trans-81.7141.2170.400000111.1G732G732-A734 VanDerWaalsContact C-N 3.29Å; G732-A734 PolarHBondContact O-N 2.92Å
735P42.8Very low54.5Low100 Ų10087.1 Ų87.165%0.64948%0.482SS*.  trans-57.8156.9163.4-21.133.1000111.4I680 D737I680-P735 HydrophobicContact CD1-CG 4.24Å; P735-D737 PolarHBondContact O-N 3.45Å
736N38.3Very low51.5Low104 Ų10496.6 Ų96.656%0.55652%0.524SS*.  trans-7198.1169.8-71-2.9000110.1R731 S738R731-N736 PolarHBondContact NH1-OD1 3.37Å; N736-S738 PolarHBondContact O-N 2.97Å; N736-S738 PolarHBondContact O-OG 3Å; N736-S738 VanDerWaalsContact O-OG 3.13Å
737D36.8Very low48.8Very low165 Ų165100 Ų10088%0.88256%0.556SS**  trans-53.6114.1145.3-87.9-33000106.4P735 P739P735-D737 PolarHBondContact O-N 3.45Å; D737-P739 WeakPolarHBondContact O-CD 3.49Å
738S34.1Very low46.5Very low103 Ų103103.1 Ų103.172%0.7259%0.589SS**  trans-81.5116-152.4-66.30000112.3N736N736-S738 PolarHBondContact O-N 2.97Å; N736-S738 PolarHBondContact O-OG 3Å; N736-S738 VanDerWaalsContact O-OG 3.13Å
739P36.5Very low43.8Very low105 Ų105106.4 Ų106.468%0.68262%0.624SS**  trans-65.7132.4150.230.7-31.9000107.4D737 A741D737-P739 WeakPolarHBondContact O-CD 3.49Å; P739-A741 PolarHBondContact O-N 3.23Å
740E31.5Very low41.3Very low180 Ų180112.3 Ų112.384%0.84166%0.661SS**  trans-64105.1173.4-72.1-166.8108.300109.4
741A30.2Very low39.1Very low79 Ų79120.6 Ų120.665%0.65369%0.685SS**  trans-58.3126.4173.100000108.9P739 R743P739-A741 PolarHBondContact O-N 3.23Å; A741-R743 PolarHBondContact O-N 3.5Å
742P30.6Very low37.1Very low124 Ų124120.8 Ų120.881%0.80570%0.695SS**  trans-62.9110.9-179.224.8-33.1000108.7R744P742-R744 PolarHBondContact O-N 3.41Å
743R29.2Very low35.4Very low232 Ų232123.6 Ų123.688%0.87570%0.696SS**  trans-64.789.1-172.5-62.5-172.7-170.2-149.43.9111.3A741 S745A741-R743 PolarHBondContact O-N 3.5Å; R743-S745 PolarHBondContact O-N 2.91Å
744R30.7Very low34Very low244 Ų244131.3 Ų131.392%0.92173%0.732SS**  trans-64.7105.1155.4-81.3-167.6172-163.5-1107.5P742 F746P742-R744 PolarHBondContact O-N 3.41Å; R744-F746 VanDerWaalsContact C-N 3.33Å; R744-F746 PolarHBondContact O-N 3.08Å
745S25.4Very low33.6Very low114 Ų114136.2 Ų136.280%0.79774%0.742SS**  trans-71.98418054.20000111R743R743-S745 PolarHBondContact O-N 2.91Å
746F26.1Very low33.5Very low202 Ų202137 Ų13789%0.88674%0.74SS**  trans-78.1113.9158.5-124.1-91000107.6R744R744-F746 VanDerWaalsContact C-N 3.33Å; R744-F746 PolarHBondContact O-N 3.08Å
747A29Very low33.5Very low97 Ų97135.2 Ų135.280%0.80275%0.746SS**  trans-102.4120.1-174.600000110.2
748G35.7Very low33.7Very low78 Ų78130 Ų13080%0.80472%0.716SS**  trans84.6111.2-179.800000112.5
749G28.3Very low34Very low77 Ų77129 Ų12979%0.79471%0.714SS**  trans171.780.5-178.600000110.5
750T31.6Very low34.3Very low133 Ų133125.5 Ų125.582%0.81669%0.692SS**  trans-65.4144.5166.232.50000109.8D752T750-D752 PolarHBondContact O-N 3.08Å
751W34.4Very low34.5Very low205 Ų205119.9 Ų119.978%0.77767%0.671SS**  trans-61128.1168.8-67.589.4000109.2W753W751-W753 HydrophobicContact CB-CD2 4.49Å; W751-W753 HydrophobicContact CB-CZ2 3.8Å; W751-W753 HydrophobicContact CG-CZ2 4.31Å; W751-W753 PolarHBondContact O-N 3.16Å; W751-W753 PolarHBondContact O-NE1 2.64Å
752D37.8Very low35.2Very low117 Ų117122.4 Ų122.463%0.62667%0.669SS**  trans-91.781.6-170.3-15013.9000109.9T750 E754 Y755T750-D752 PolarHBondContact O-N 3.08Å; D752-E754 PolarHBondContact O-N 3.34Å; D752-E754 VanDerWaalsContact O-N 3.17Å; D752-Y755 VanDerWaalsContact O-CB 3.29Å; D752-Y755 WeakPolarHBondContact O-CB 3.33Å; D752-Y755 PolarHBondContact O-N 3.49Å
753W41.6Very low35.9Very low88 Ų88121 Ų12133%0.33365%0.652SS.*G310 helixtrans-62.2-24.6-168.9-59.199000113.7W751 Y755 L756 G757 F758 P761W751-W753 HydrophobicContact CB-CD2 4.49Å; W751-W753 HydrophobicContact CB-CZ2 3.8Å; W751-W753 HydrophobicContact CG-CZ2 4.31Å; W751-W753 PolarHBondContact O-N 3.16Å; W751-W753 PolarHBondContact O-NE1 2.64Å; W753-Y755 PolarHBondContact O-N 2.87Å; W753-L756 HydrophobicContact CE3-CD1 4.48Å; W753-L756 PolarHBondContact O-N 2.91Å; W753-G757 PolarHBondContact O-N 2.87Å; W753-F758 CarbonylContact C-O 3.55Å; W753-F758 VanDerWaalsContact C-O 3.29Å; W753-F758 WeakPolarHBondContact CB-O 3.38Å; W753-F758 PolarHBondContact O-N 3.45Å; W753-P761 HydrophobicContact CD2-CG 4.47Å; W753-P761 HydrophobicContact CZ2-CG 4.26Å
754E36.1Very low36.7Very low166 Ų166114 Ų11478%0.77663%0.626SS**G310 helixtrans-59.7-32.5173-60.6-165.9153.800112.2D752 L756 G757D752-E754 PolarHBondContact O-N 3.34Å; D752-E754 VanDerWaalsContact O-N 3.17Å; E754-L756 PolarHBondContact O-N 3.45Å; E754-G757 PolarHBondContact O-N 3.44Å
755Y39.9Very low37.4Very low147 Ų147105.1 Ų105.158%0.57661%0.605SS**G310 helixtrans-65.4-19.3175.8-170.5-91.9000113.2D752 W753D752-Y755 VanDerWaalsContact O-CB 3.29Å; D752-Y755 WeakPolarHBondContact O-CB 3.33Å; D752-Y755 PolarHBondContact O-N 3.49Å; W753-Y755 PolarHBondContact O-N 2.87Å
756L39.5Very low38.4Very low116 Ų116104 Ų10461%0.60759%0.587SS**G310 helixtrans-102.4-1.1174.4-64.2175.5000113.2W753 E754 F758W753-L756 HydrophobicContact CE3-CD1 4.48Å; W753-L756 PolarHBondContact O-N 2.91Å; E754-L756 PolarHBondContact O-N 3.45Å; L756-F758 HydrophobicContact CB-CD2 4.05Å; L756-F758 WeakPolarHBondContact O-CD2 3.39Å; L756-F758 WeakPolarHBondContact O-CE2 3.38Å
757G38.1Very low39.5Very low68 Ų6899.2 Ų99.270%0.70157%0.566SS**THydrogen-bonded Turntrans77.123.2178.300000115.5W753 E754W753-G757 PolarHBondContact O-N 2.87Å; E754-G757 PolarHBondContact O-N 3.44Å
758F41.1Very low40.2Very low56 Ų5696.7 Ų96.725%0.24654%0.538CS..  trans-118.7137.1174-60.6-83.6000109.9W753 L756 Y764 F767W753-F758 CarbonylContact C-O 3.55Å; W753-F758 VanDerWaalsContact C-O 3.29Å; W753-F758 WeakPolarHBondContact CB-O 3.38Å; W753-F758 PolarHBondContact O-N 3.45Å; L756-F758 HydrophobicContact CB-CD2 4.05Å; L756-F758 WeakPolarHBondContact O-CD2 3.39Å; L756-F758 WeakPolarHBondContact O-CE2 3.38Å; F758-Y764 HydrophobicContact CE2-CD2 4.27Å; F758-Y764 HydrophobicContact CZ-CD2 4.29Å; F758-F767 HydrophobicContact CE1-CG 4.39Å
759A39.7Very low40.6Very low82 Ų82100 Ų10068%0.67853%0.527SS*.SBendtrans-82.8-19.9-176.100000113.1E763A759-E763 WeakPolarHBondContact CA-OE2 3.44Å; A759-E763 WeakPolarHBondContact CB-OE2 3.16Å; A759-E763 PolarHBondContact N-OE2 2.88Å
760S44Very low41.6Very low30 Ų30103.4 Ų103.421%0.2152%0.516CS..  trans-154.1162.9172.995.20000114.8E762 E763 Y764S760-E762 VanDerWaalsContact C-N 3.26Å; S760-E762 WeakPolarHBondContact CB-OE2 3.32Å; S760-E762 PolarHBondContact O-N 3.33Å; S760-E762 PolarHBondContact OG-N 2.87Å; S760-E762 VanDerWaalsContact OG-N 3.13Å; S760-E762 PolarHBondContact OG-OE2 3.24Å; S760-E763 PolarHBondContact O-N 2.98Å; S760-E763 PolarHBondContact OG-N 2.86Å; S760-Y764 PolarHBondContact O-N 3.4Å
761P36.4Very low41.9Very low62 Ų62104.5 Ų104.540%0.40351%0.505SS..Hα-helixtrans-59.6-32.5170.3-23.534.9000113.7W753 Y764 A765W753-P761 HydrophobicContact CD2-CG 4.47Å; W753-P761 HydrophobicContact CZ2-CG 4.26Å; P761-Y764 PolarHBondContact O-N 3.41Å; P761-A765 WeakPolarHBondContact O-CB 3.46Å; P761-A765 PolarHBondContact O-N 2.88Å
762E44.8Very low41.9Very low133 Ų133103.9 Ų103.962%0.62150%0.503SS*.Hα-helixtrans-64.5-41175-61.277.9-170.500111.5S760 Y764 A765 E766S760-E762 VanDerWaalsContact C-N 3.26Å; S760-E762 WeakPolarHBondContact CB-OE2 3.32Å; S760-E762 PolarHBondContact O-N 3.33Å; S760-E762 PolarHBondContact OG-N 2.87Å; S760-E762 VanDerWaalsContact OG-N 3.13Å; S760-E762 PolarHBondContact OG-OE2 3.24Å; E762-Y764 VanDerWaalsContact C-N 3.33Å; E762-Y764 PolarHBondContact O-N 2.85Å; E762-A765 PolarHBondContact O-N 3.21Å; E762-E766 WeakPolarHBondContact O-CB 3.26Å; E762-E766 PolarHBondContact O-N 2.62Å
763E44.6Very low42Very low95 Ų95104.2 Ų104.244%0.44450%0.5SS..Hα-helixtrans-62.7-40.1175.3-66.8-167.414200112A759 S760 E766 F767A759-E763 WeakPolarHBondContact CA-OE2 3.44Å; A759-E763 WeakPolarHBondContact CB-OE2 3.16Å; A759-E763 PolarHBondContact N-OE2 2.88Å; S760-E763 PolarHBondContact O-N 2.98Å; S760-E763 PolarHBondContact OG-N 2.86Å; E763-E766 PolarHBondContact O-N 3.42Å; E763-F767 VanDerWaalsContact O-CB 3.31Å; E763-F767 WeakPolarHBondContact O-CB 3.36Å; E763-F767 PolarHBondContact O-N 3.38Å
764Y46.2Very low41.7Very low84 Ų84109.5 Ų109.533%0.32952%0.52SS..Hα-helixtrans-65.3-42.3175.8179.2-108.2000111.9F758 S760 P761 E762 F767 Q768F758-Y764 HydrophobicContact CE2-CD2 4.27Å; F758-Y764 HydrophobicContact CZ-CD2 4.29Å; S760-Y764 PolarHBondContact O-N 3.4Å; P761-Y764 PolarHBondContact O-N 3.41Å; E762-Y764 VanDerWaalsContact C-N 3.33Å; E762-Y764 PolarHBondContact O-N 2.85Å; Y764-F767 PolarHBondContact O-N 2.81Å; Y764-Q768 HydrophobicContact CE1-CG 4.28Å; Y764-Q768 HydrophobicContact CE2-CG 4.33Å; Y764-Q768 WeakPolarHBondContact O-CG 3.21Å; Y764-Q768 PolarHBondContact O-N 3.12Å; Y764-Q768 PolarHBondContact OH-NE2 3.1Å
765A45.7Very low41.6Very low58 Ų58110.3 Ų110.348%0.47952%0.524SS..Hα-helixtrans-63.2-41.6173.800000111.9P761 E762 Q768 Y769P761-A765 WeakPolarHBondContact O-CB 3.46Å; P761-A765 PolarHBondContact O-N 2.88Å; E762-A765 PolarHBondContact O-N 3.21Å; A765-Q768 PolarHBondContact O-N 3.03Å; A765-Y769 WeakPolarHBondContact O-CB 3.4Å; A765-Y769 PolarHBondContact O-N 3.05Å
766E46.8Very low41.3Very low89 Ų89114.9 Ų114.942%0.41654%0.54SS..Hα-helixtrans-69.9-34.8177.3-146.2-154.4151.100112E762 E763 Y769 R770E762-E766 WeakPolarHBondContact O-CB 3.26Å; E762-E766 PolarHBondContact O-N 2.62Å; E763-E766 PolarHBondContact O-N 3.42Å; E766-Y769 PolarHBondContact O-N 3.39Å; E766-R770 VanDerWaalsContact CD-CZ 3.41Å; E766-R770 VanDerWaalsContact O-CB 3.27Å; E766-R770 WeakPolarHBondContact O-CB 3.44Å; E766-R770 WeakPolarHBondContact O-CG 3.48Å; E766-R770 PolarHBondContact O-N 3.04Å; E766-R770 IonicContact OE1-CZ 2.69Å; E766-R770 IonicContact OE1-NE 2.75Å; E766-R770 PolarHBondContact OE1-NE 3.39Å; E766-R770 IonicContact OE1-NH2 3.97Å; E766-R770 PolarHBondContact OE1-NH2 3.03Å; E766-R770 IonicContact OE2-CZ 2.74Å; E766-R770 IonicContact OE2-NE 3.78Å; E766-R770 IonicContact OE2-NH2 2.76Å; E766-R770 PolarHBondContact OE2-NH2 3.25Å
767F48.9Very low40.9Very low102 Ų102121.2 Ų121.245%0.44756%0.556SS.*Hα-helixtrans-61.6-47.3172.4179.9-97000111.4F758 E763 Y764 Y769 R770 R771F758-F767 HydrophobicContact CE1-CG 4.39Å; E763-F767 VanDerWaalsContact O-CB 3.31Å; E763-F767 WeakPolarHBondContact O-CB 3.36Å; E763-F767 PolarHBondContact O-N 3.38Å; Y764-F767 PolarHBondContact O-N 2.81Å; F767-Y769 VanDerWaalsContact C-N 3.35Å; F767-Y769 PolarHBondContact O-N 3.3Å; F767-R770 PolarHBondContact O-N 3.45Å; F767-R771 WeakPolarHBondContact O-CB 3.25Å; F767-R771 PolarHBondContact O-N 3.34Å
768Q43.2Very low40.3Very low45 Ų45130.5 Ų130.521%0.2157%0.57CS.*Hα-helixtrans-60.4-42.5174.2-72.6-740.500111.8Y764 A765 R771 R772Y764-Q768 HydrophobicContact CE1-CG 4.28Å; Y764-Q768 HydrophobicContact CE2-CG 4.33Å; Y764-Q768 WeakPolarHBondContact O-CG 3.21Å; Y764-Q768 PolarHBondContact O-N 3.12Å; Y764-Q768 PolarHBondContact OH-NE2 3.1Å; A765-Q768 PolarHBondContact O-N 3.03Å; Q768-R771 PolarHBondContact O-N 3.13Å; Q768-R772 WeakPolarHBondContact O-CG 3.44Å; Q768-R772 PolarHBondContact O-N 3.16Å; Q768-R772 VanDerWaalsContact O-N 3.09Å
769Y43Very low39.7Very low148 Ų148130.9 Ų130.958%0.5859%0.59SS**Hα-helixtrans-64-48.3176.5-174.8-103.6000112.5A765 E766 F767 R771 R772 H773A765-Y769 WeakPolarHBondContact O-CB 3.4Å; A765-Y769 PolarHBondContact O-N 3.05Å; E766-Y769 PolarHBondContact O-N 3.39Å; F767-Y769 VanDerWaalsContact C-N 3.35Å; F767-Y769 PolarHBondContact O-N 3.3Å; Y769-R771 VanDerWaalsContact C-N 3.26Å; Y769-R771 PolarHBondContact O-N 3.09Å; Y769-R772 PolarHBondContact O-N 2.79Å; Y769-H773 AromaticContact CD2-CD2 3.86Å; Y769-H773 AromaticContact CE2-CD2 3.63Å; Y769-H773 AromaticContact CE2-NE2 3.79Å; Y769-H773 AromaticContact CZ-CD2 3.96Å; Y769-H773 PolarHBondContact O-N 3.11Å; Y769-H773 VanDerWaalsContact O-N 3.17Å
770R49.5Very low39.1Very low148 Ų148134 Ų13456%0.55860%0.595SS**Hα-helixtrans-60.6-32.3174.9-72168.5-179.8-177.84.9112.3E766 F767E766-R770 VanDerWaalsContact CD-CZ 3.41Å; E766-R770 VanDerWaalsContact O-CB 3.27Å; E766-R770 WeakPolarHBondContact O-CB 3.44Å; E766-R770 WeakPolarHBondContact O-CG 3.48Å; E766-R770 PolarHBondContact O-N 3.04Å; E766-R770 IonicContact OE1-CZ 2.69Å; E766-R770 IonicContact OE1-NE 2.75Å; E766-R770 PolarHBondContact OE1-NE 3.39Å; E766-R770 IonicContact OE1-NH2 3.97Å; E766-R770 PolarHBondContact OE1-NH2 3.03Å; E766-R770 IonicContact OE2-CZ 2.74Å; E766-R770 IonicContact OE2-NE 3.78Å; E766-R770 IonicContact OE2-NH2 2.76Å; E766-R770 PolarHBondContact OE2-NH2 3.25Å; F767-R770 PolarHBondContact O-N 3.45Å
771R38.2Very low38.2Very low156 Ų156139.9 Ų139.959%0.58962%0.621SS**Hα-helixtrans-70.5-41.9175.3-165.3178.1-173.8-1672.5111.8F767 Q768 Y769F767-R771 WeakPolarHBondContact O-CB 3.25Å; F767-R771 PolarHBondContact O-N 3.34Å; Q768-R771 PolarHBondContact O-N 3.13Å; Y769-R771 VanDerWaalsContact C-N 3.26Å; Y769-R771 PolarHBondContact O-N 3.09Å
772R35.8Very low37.8Very low192 Ų192142 Ų14273%0.72564%0.637SS**Hα-helixtrans-69.2-31.3179.8-69.5175-168.8-160.21.4114Q768 Y769Q768-R772 WeakPolarHBondContact O-CG 3.44Å; Q768-R772 PolarHBondContact O-N 3.16Å; Q768-R772 VanDerWaalsContact O-N 3.09Å; Y769-R772 PolarHBondContact O-N 2.79Å
773H38.6Very low36.9Very low123 Ų123140.6 Ų140.657%0.56964%0.642SS**THydrogen-bonded Turntrans-106.318.5-173-71.5-72000115.6Y769 Q775Y769-H773 AromaticContact CD2-CD2 3.86Å; Y769-H773 AromaticContact CE2-CD2 3.63Å; Y769-H773 AromaticContact CE2-NE2 3.79Å; Y769-H773 AromaticContact CZ-CD2 3.96Å; Y769-H773 PolarHBondContact O-N 3.11Å; Y769-H773 VanDerWaalsContact O-N 3.17Å; H773-Q775 VanDerWaalsContact C-N 3.29Å; H773-Q775 PolarHBondContact O-N 3.24Å
774R36.1Very low36.2Very low200 Ų200142.7 Ų142.776%0.75566%0.661SS**  trans-77.60.6-170.2-133.3179.1-170.9-170.73.4116.7
775Q34Very low35.2Very low183 Ų183149.2 Ų149.286%0.85569%0.685SS**SBendtrans-104.2130.9169-74.5-176.3-17.700110.6H773H773-Q775 VanDerWaalsContact C-N 3.29Å; H773-Q775 PolarHBondContact O-N 3.24Å
776R34.1Very low34.3Very low242 Ų242150.8 Ų150.891%0.91369%0.692SS**SBendtrans84.268.1-176.7-51.8179.6-178.8-155.5-1.1117.5
777R30.1Very low33.3Very low250 Ų250153.9 Ų153.994%0.94371%0.712SS**  trans-178.5123.1130.6-99.9165.1-161.5-101.25111.4
778R26.8Very low32.4Very low262 Ų262154.7 Ų154.799%0.98973%0.726SS**  trans-151.8122.8157.1-124.4-174.7-170.4-131.23.1108.4
779G26.9Very low32Very low65 Ų65158.3 Ų158.367%0.6775%0.753SS**  trans156.6114.1-175.400000109.4
780D27.6Very low31.2Very low147 Ų147158.1 Ų158.179%0.78676%0.762SS**  trans60.5144.1169-57.1-23.2000119
781M25.3Very low30.8Very low154 Ų154156.4 Ų156.476%0.75977%0.77SS**  cis-159.6166.8-18.2-121.3-57.9142.500111.3
782S27Very low30.2Very low105 Ų105156.2 Ų156.273%0.73478%0.78SS**  trans61.5138.4149.557.90000123.1
783S27Very low29.8Very low104 Ų104154.2 Ų154.273%0.72778%0.784SS**  trans-64.8165.3159.7-158.80000111
784V28.8Very low29.2Very low139 Ų139156.4 Ų156.484%0.84280%0.799SS**  -164.9166.6711660000111.9
785R26.4Very low28.7Very low221 Ų221150.8 Ų150.883%0.83479%0.791SS**  trans-73.8157.8-172.9-53.7168166.6172.3-7.4117.4
786S26.8Very low28.2Very low91 Ų91149.1 Ų149.164%0.63679%0.787SS**  trans60122.4132.765.40000122.8
787N25.8Very low27.8Very low154 Ų154142.3 Ų142.382%0.82478%0.777SS**  -178.7161.895.5-91.3-37.5000115.1
788T29.2Very low27.5Very low120 Ų120135.5 Ų135.574%0.73676%0.764SS**  trans-68.2169.8174.439.80000114
789P34.6Very low27.5Very low120 Ų120130 Ų13078%0.77975%0.753SS**  cis-147.317735.443.9-23.5000120.1
790D27.3Very low27.3Very low145 Ų145134.6 Ų134.678%0.77576%0.757SS**  trans-71.9175.4169.4-50.2-80000113.7
791P40.9Very low27.3Very low112 Ų112131.1 Ų131.173%0.72775%0.748SS**  -145.8153.996.739.1-24.3000117.9
792D25.6Very low27.4Very low151 Ų151132.1 Ų132.181%0.80775%0.751SS**  trans57.3113.8141.4-53.6-14.4000123.3
793D26.7Very low27.3Very low151 Ų151133.1 Ų133.181%0.80775%0.749SS**  trans16.4134.3134.3-74.6-25.8000121.2
794L25.4Very low27.3Very low168 Ų168134.3 Ų134.388%0.8875%0.751SS**  -167.8165.596.2-103173.9000114.1
795S26.1Very low27.1Very low83 Ų83131 Ų13158%0.5874%0.744SS**  trans-105.3167-166.161.70000115.6
796N24.7Very low26.9Very low147 Ų147124.7 Ų124.779%0.78675%0.749SS**  trans84.7135.3148.7-73.9-34.1000122.1
797S24.3Very low26.8Very low99 Ų99123.8 Ų123.869%0.69275%0.753SS**  101.1107.7128.7-91.10000122
798T24.8Very low26.8Very low108 Ų108127.2 Ų127.266%0.66376%0.755SS**  85.8101.8110.7-58.50000119.2
799L25.5Very low26.7Very low146 Ų146130.5 Ų130.576%0.76475%0.754SS**  trans66.3159.4142.8-57.8175000117.3
800E24.5Very low26.3Very low162 Ų162132.7 Ų132.776%0.75775%0.754SS**  cis-147.9176.18.8-146.7158.3-135.400112
801A26Very low26.2Very low73 Ų73128.9 Ų128.960%0.60375%0.748SS**  trans24.1141.1142.700000120.2
802Q27.2Very low25.5Very low175 Ų175132.2 Ų132.282%0.81875%0.754SS**  cis178.8171.634.4-121.5162.72.300106.9
803D24.8Very low25.6Very low127 Ų127131.4 Ų131.468%0.67975%0.749SS**  cis-160.6180-7.1-149.5-22.3000108.7
804V27.1Very low25.6Very low129 Ų129133.3 Ų133.378%0.78276%0.755SS**  trans38131.5156.1-178.80000119.9
805G25.3Very low25.5Very low68 Ų68129.2 Ų129.270%0.70175%0.754SS**  cis136.51132.400000113.3
806G23.3Very low25.7Very low90 Ų90133.5 Ų133.593%0.92877%0.769SS**  trans76152.7172.300000116.2
807G23.9Very low25.6Very low71 Ų71134.4 Ų134.473%0.73277%0.774SS**  cis151.4145.6-6.800000112.6
808R26.6Very low25.7Very low226 Ų226135 Ų13585%0.85378%0.778SS**  trans70154.9-178.7-65176.8172.3-178.9-3113.6
809R26.7Very low25.9Very low189 Ų189137 Ų13771%0.71378%0.784SS**  cis-158.1169.111.8-136170.5-174.5166.60.6111.9
810Q26.5Very low25.9Very low167 Ų167136.7 Ų136.778%0.7878%0.783SS**  trans0.9144.4155.5-61.7159.5-86.800119.5
811G24.6Very low26.2Very low64 Ų64137.2 Ų137.266%0.6679%0.785SS**  cis122.7124.10.400000114.2
812H25.4Very low26.5Very low183 Ų183140.8 Ų140.885%0.84780%0.795SS**  trans175.9173.2166.2-91.9-56.5000108.3
813L27.3Very low26.6Very low134 Ų134140.4 Ų140.470%0.70280%0.798SS**  -177.2133.4-61.1-121.5168.7000108.4
814M27.4Very low27.1Very low191 Ų191139.1 Ų139.194%0.94180%0.797SS**  trans65.5149.1164.2-79.2175.3168.800120.7
815G23.9Very low27.5Very low82 Ų82139.4 Ų139.485%0.84579%0.794SS**  trans152.598.7174.700000111.1
816L29.1Very low28Very low172 Ų172143.7 Ų143.790%0.90180%0.799SS**  trans-109.2134.2172.3-81.8168.2000109.1
817D23.4Very low28.5Very low167 Ų167146.8 Ų146.889%0.89379%0.794SS**  trans167.6156.2164.4-96-21.5000107.1
818S26Very low29.2Very low112 Ų112149 Ų14978%0.78379%0.788SS**  cis-155.3-170.4-15.9-1680000108.1
819L28.7Very low29.7Very low149 Ų149142 Ų14278%0.7878%0.779SS**  trans-87170.7-168.7-70.1167.2000116.3
820D26.8Very low30.1Very low139 Ų139140.1 Ų140.174%0.74378%0.781SS**  trans78.197.2153-55.1-30.6000121.7
821E30.8Very low30.5Very low173 Ų173139.4 Ų139.481%0.80878%0.778SS**  53.9159.4116.8-66.5-61.3161.100125.3
822D31.1Very low31Very low149 Ų149143.1 Ų143.180%0.79778%0.782SS**  trans64.7100.8163.1-77.3-38.7000121.2
823D28.9Very low31.6Very low167 Ų167139.3 Ų139.389%0.89378%0.776SS**  -159.3151.6124.2-132.815.8000111
824P35.4Very low31.9Very low100 Ų100140.9 Ų140.965%0.64978%0.784SS**  trans-118.6134.2-148.139.5-31.4000116.2
825N35.5Very low32.1Very low135 Ų135141 Ų14172%0.72278%0.782SS**  trans-150.322.6172.9-114.8-49.3000117.8L827N825-L827 VanDerWaalsContact C-N 3.28Å; N825-L827 PolarHBondContact O-N 2.99Å
826I36.1Very low32.2Very low157 Ų157144.5 Ų144.581%0.80578%0.781SS**THydrogen-bonded Turntrans-93.434.9178.4-39.6-174.2000112.2
827L33.9Very low32.2Very low156 Ų156141.5 Ų141.582%0.81778%0.775SS**THydrogen-bonded Turntrans-123.52.1173-76.6175.8000114.2N825N825-L827 VanDerWaalsContact C-N 3.28Å; N825-L827 PolarHBondContact O-N 2.99Å
828L39.3Very low32.4Very low117 Ų117143.6 Ų143.661%0.61377%0.77SS**SBendtrans-98.5-17178.4-159.562.9000113.8
829A36.1Very low32.4Very low80 Ų80145 Ų14566%0.66177%0.766SS**SBendtrans-80.5-18.4-174.700000115
830I35.9Very low32.2Very low148 Ų148143 Ų14376%0.75976%0.761SS**SBendtrans-94.9-19.7-174-63.3176.9000112L832I830-L832 PolarHBondContact O-N 2.83Å
831Q35.6Very low32.1Very low153 Ų153144.6 Ų144.672%0.71576%0.764SS**THydrogen-bonded Turntrans-91.17.9-175-158.8149.9-21.700114.2
832L35.5Very low31.9Very low141 Ų141144.4 Ų144.474%0.73877%0.766SS**THydrogen-bonded Turntrans-119.631.4-177.3-73.1172000113.3I830I830-L832 PolarHBondContact O-N 2.83Å
833S37.8Very low31.5Very low103 Ų103140.5 Ų140.572%0.7276%0.761SS**SBendtrans-139.18.9178.6-63.60000115.6
834L32.3Very low31.4Very low168 Ų168137.7 Ų137.788%0.8876%0.755SS**SBendtrans-139.6112.3170.7-72.7175.7000110.8
835Q32.4Very low31.1Very low192 Ų192139.5 Ų139.590%0.89776%0.759SS**  trans100.273174.7-56.9-175.515.700117.9
836D26.2Very low30.7Very low156 Ų156140.4 Ų140.483%0.83476%0.758SS**  -160.3145127-116.4-36.6000108.1
837S29.6Very low30.2Very low110 Ų110139.7 Ų139.777%0.76976%0.756SS**  cis-135.2-1798-65.20000113.5
838R26.7Very low29.9Very low210 Ų210136 Ų13679%0.79275%0.748SS**  trans-142.1146.4-167.9-167.9-160.2-176.9-168.6-1.4108.8
839M25.3Very low29.2Very low142 Ų142138.6 Ų138.670%0.776%0.762SS**  trans71.2159.1171.1-56-41.6-17400116
840T25Very low28.8Very low108 Ų108138.2 Ų138.266%0.66376%0.759SS**  cis-161.6153.2-4.810.60000112
841E25.2Very low28.5Very low172 Ų172137.5 Ų137.580%0.80476%0.757SS**  trans40.5139143.3-64.8171.7173.500124.5
842I25.9Very low28Very low168 Ų168138 Ų13886%0.86276%0.759SS**  158.8143.6120.9-81.3170.2000111.1
843G23.8Very low27.5Very low67 Ų67135.5 Ų135.569%0.69176%0.759SS**  trans-121.1-170.4171.900000112.3
844S25.9Very low27Very low108 Ų108135.5 Ų135.576%0.75576%0.758SS**  cis-143.2-137.95.438.10000109.6
845D28.8Very low26.7Very low139 Ų139135.9 Ų135.974%0.74376%0.761SS**  cis-167.4-166.55.6-141.7-62000111.2
846H27.6Very low26.6Very low153 Ų153130.1 Ų130.171%0.70875%0.753SS**  trans87112.2165.1-85.6-58.7000122.3
847D26.4Very low26.9Very low143 Ų143127.5 Ų127.577%0.76575%0.753SS**  trans66.1139.6135-67.523000122.4
848A26.9Very low27.1Very low78 Ų78130.3 Ų130.365%0.64576%0.757SS**  cis-167.8170.1-12.800000112.3
849L25.3Very low27.1Very low172 Ų172123.2 Ų123.290%0.90175%0.75SS**  trans74144.6166.1-52.3177.7000118.2
850A27.6Very low27.4Very low72 Ų72123.2 Ų123.260%0.59576%0.758SS**  cis-168.8153.5-19.400000112.1
851N28Very low27.6Very low133 Ų133123.2 Ų123.271%0.71176%0.762SS**  trans64.2144.8150-75.244.3000120.9
852E26.4Very low28Very low163 Ų163122.7 Ų122.776%0.76276%0.764SS**  cis-166.4163.2-15.1-132.9173.7178.200112.2
853A24.9Very low28.7Very low89 Ų89119.7 Ų119.774%0.73676%0.756SS**  trans63.9162.5152.600000120.8
854S26.7Very low29Very low102 Ų102121.1 Ų121.171%0.71376%0.755SS**  cis179.4144.1-46.6-109.40000111.7
855L27.3Very low29.4Very low177 Ų177126.5 Ų126.593%0.92776%0.759SS**  trans72.8148.6152-61.4163.7000121.9
856G28.4Very low29.3Very low71 Ų71126.5 Ų126.573%0.73276%0.758SS**  trans108.2105.5173.400000113.1
857A34.1Very low29.2Very low101 Ų101126.1 Ų126.184%0.83576%0.757SS**  cis67.2136.945.500000112.8
858I32.1Very low29.3Very low168 Ų168127.4 Ų127.486%0.86276%0.758SS**  cis-145.413930.6-62.8161.5000112.8
859G28.4Very low29.1Very low62 Ų62128.2 Ų128.264%0.63976%0.764SS**  trans82155138.200000119.3
860T31.7Very low30.7Very low142 Ų142125.7 Ų125.787%0.87176%0.758SS**  cis-171.7158.4-2.970000107.8
861S28.7Very low31.6Very low108 Ų108128.1 Ų128.176%0.75577%0.768SS**  cis-155.3-161.9-0.361.20000111.1
862L33.5Very low31.5Very low160 Ų160124.9 Ų124.984%0.83877%0.766SS**  trans-138.1-177.5177.6-92.4167.4000107.9
863P41Very low31.4Very low106 Ų106123.2 Ų123.269%0.68877%0.767SS**  cis-153.1-172.224.545.9-24.1000119.7
864S29.8Very low31.4Very low97 Ų97126 Ų12668%0.67877%0.77SS**  trans85.6114.7136.7-75.20000124.3
865R33.2Very low31.4Very low221 Ų221127 Ų12783%0.83477%0.771SS**  79.5118.1121.9-85-173.8150.3-172.2-6.5123.5
866L27.5Very low31.3Very low138 Ų138126.2 Ų126.272%0.72377%0.767SS**  82.4149123.5-90.8163.2000123.2
867E26.1Very low32.3Very low146 Ų146127.2 Ų127.268%0.68276%0.76SS**  trans89.7128.6151.7-68.1-130.885.600122.9
868Q28.6Very low31.8Very low170 Ų170133 Ų13379%0.79476%0.761SS**  trans71169.3145.4-66.7176.835.200120.2
869A22.4Very low31.5Very low94 Ų94129.1 Ų129.178%0.77775%0.754SS**  trans-141.3-135.2-159.200000113.6
870P59Low31.3Very low119 Ų119130.2 Ų130.277%0.77375%0.752SS**  trans-95.7-160.3-144.646.7-36000111.8
871P46.7Very low30.9Very low123 Ų123131.3 Ų131.380%0.79975%0.751SS**  cis-131.5-177.61.740.3-20.7000114.7
872G24.4Very low30.7Very low65 Ų65130.4 Ų130.467%0.6775%0.745SS**  cis154.5-147.1-3.500000110.9
873V25.8Very low30.5Very low129 Ų129127 Ų12778%0.78274%0.735SS**  trans86118.6165.2-172.60000118.2
874D24.9Very low30Very low148 Ų148126.8 Ų126.879%0.79174%0.736SS**  trans86.1135.9146.4-77.5-1.7000127.5
875V25.4Very low30Very low123 Ų123130 Ų13075%0.74574%0.74SS**  trans86.490.1142.4169.90000121.5
876L25.8Very low29.8Very low159 Ų159125.8 Ų125.883%0.83273%0.733SS**  -75.7166.5115.1-82.9167.8000109.6
877P48.4Very low29.9Very low92 Ų92125.6 Ų125.660%0.59773%0.732SS**  cis-134.5-165.6-29.240.8-24.9000110.6
878R25.1Very low30.2Very low223 Ų223124.6 Ų124.684%0.84273%0.727SS**  trans-178.7138.1130.9-99163.2177121.6-1.4107.3
879A24.7Very low30.2Very low87 Ų87126.8 Ų126.872%0.71973%0.728SS**  cis59.9150.749.900000111.3
880S23.7Very low30.5Very low85 Ų85125.6 Ų125.659%0.59472%0.719SS**  cis-164.4167.223.7-28.70000108.4
881L24.6Very low29.1Very low165 Ų165126.5 Ų126.586%0.86472%0.717SS**  trans66.3165.4155-61164.9000115.4
882S24Very low28.3Very low89 Ų89126.8 Ų126.862%0.62271%0.712SS**  cis-166.3158.6-32.1177.40000108.3
883S28.4Very low28.5Very low89 Ų89131.2 Ų131.262%0.62272%0.719SS**  trans40.3114.3147.3580000120.2
884S30.4Very low28.8Very low101 Ų101129 Ų12971%0.70672%0.715SS**  84.4142.5125.3-59.20000121.3
885E30.3Very low29Very low163 Ų163132.4 Ų132.476%0.76272%0.716SS**  trans78.6111.9139.5-76.7167.5-144.900121.9
886L28.4Very low29Very low134 Ų134134.3 Ų134.370%0.70272%0.722SS**  82.1118.8123-66.3169.9000121.5
887L30.5Very low29Very low133 Ų133129.8 Ų129.870%0.69671%0.714SS**  83132.5129.1-70.7169.6000121.2
888E32.1Very low28Very low125 Ų125133 Ų13358%0.58473%0.726SS**  trans74.3120137.6-72.2-168.7135.200118.6
889R29.4Very low28.2Very low216 Ų216128.8 Ų128.882%0.81572%0.719SS**  83.8148.797.9-78.5-177.4153.7151.1-12.8112.6
890A27.7Very low28.3Very low69 Ų69130 Ų13057%0.5772%0.722SS**  cis-161.8-169.6-11.700000107.8
891D30Very low28.4Very low139 Ų139130.2 Ų130.274%0.74372%0.724SS**  trans72.5154.8151.6-65.4-39.3000117.8
892N29.3Very low28.5Very low129 Ų129129.5 Ų129.569%0.6972%0.716SS**  cis163.7173.5-30.4-108.2-50.8000105
893L30.3Very low28.6Very low157 Ų157135.3 Ų135.382%0.82273%0.725SS**  trans75.8152.9179.4-64.292.4000116.7
894A30.8Very low28.6Very low84 Ų84136.1 Ų136.169%0.69473%0.731SS**  cis167.9174.6-44.300000110.3
895R29.1Very low29Very low218 Ų218137.6 Ų137.682%0.82374%0.738SS**  trans87.4129.6150-79.9-178.4174.6-144.9-2.5121.2
896L26.5Very low28.7Very low163 Ų163133 Ų13385%0.85374%0.735SS**  trans71.6152148.3-58.9161.1000118.1
897G25.8Very low29.7Very low65 Ų65132.8 Ų132.867%0.6774%0.742SS**  cis155.4106.2-1700000118.4
898N27.9Very low29.5Very low158 Ų158130.8 Ų130.885%0.84574%0.739SS**  trans81.1155.9139.1-152.212.1000122
899I27.7Very low29.2Very low136 Ų136133.9 Ų133.970%0.69775%0.75SS**  trans85.397.7158.3-43.7-179000122.6
900S28.2Very low30.5Very low112 Ų112129.1 Ų129.178%0.78375%0.748SS**  51166.5116.2-148.90000126.3
901S26.1Very low30.5Very low90 Ų90133.8 Ų133.863%0.62975%0.752SS**  trans82.2153.3169.5-67.30000118.8
902Q26.7Very low30.4Very low150 Ų150133.3 Ų133.370%0.70175%0.754SS**  cis-167.2164.8-6.6-117.3167.655.600114.6
903Y25.7Very low30.2Very low210 Ų210133.5 Ų133.582%0.82475%0.75SS**  trans67.6159.8151.6-85.3-68.8000124.9
904S27.6Very low30.1Very low106 Ų106134 Ų13474%0.74175%0.748SS**  trans-133.6168.6174.6-44.20000110.4
905P38.4Very low29.7Very low132 Ų132134.9 Ų134.986%0.85775%0.748SS**  -151.2171.8113.938-20.7000116.7
906G24Very low29.5Very low68 Ų68131.6 Ų131.670%0.70175%0.747SS**  trans-110.2-142166.600000111.8
907P49.8Very low29.4Very low129 Ų129131.2 Ų131.284%0.83874%0.744SS**  cis-128.1-136.3-2.736.8-12.7000110.7
908S27.1Very low29.3Very low90 Ų90138.8 Ų138.863%0.62975%0.753SS**  cis-170.6130.2-3.139.60000112.9
909F25.2Very low29.2Very low190 Ų190138 Ų13883%0.83375%0.747SS**  50.1175.1126.9-75.3-64.9000123.8
910P56.1Low29.3Very low116 Ų116142.4 Ų142.475%0.75376%0.755SS**  cis-115.8-173.24.745.3-32.9000114.4
911Y28.1Very low29.4Very low167 Ų167140.8 Ų140.866%0.65575%0.749SS**  cis-130.8-121.72.3-155.7147.1000110E913Y911-E913 HydrophobicContact CE2-CG 3.92Å; Y911-E913 PolarHBondContact OH-OE1 3.3Å
912V27.8Very low29.5Very low130 Ų130144.7 Ų144.779%0.78876%0.757SS**  cis-142.6-157.12.4-146.70000110.2
913E26.3Very low29.6Very low133 Ų133146.4 Ų146.462%0.62176%0.762SS**  trans-129170.1-171.9-50.8175.6153.100110.4Y911Y911-E913 HydrophobicContact CE2-CG 3.92Å; Y911-E913 PolarHBondContact OH-OE1 3.3Å
914H26.5Very low29.6Very low166 Ų166140.1 Ų140.177%0.76975%0.753SS**  cis-157.7-17921.1-142.8-76.3000111.1
915C23.7Very low29.5Very low104 Ų104139.8 Ų139.870%0.70376%0.757SS**  trans-94.7166.2-166.7-48.80000118.9
916D24.9Very low29Very low149 Ų149137.6 Ų137.680%0.79775%0.75SS**  117.4152.6119.3-119.6-36.5000123.6
917I24Very low29.1Very low154 Ų154141.4 Ų141.479%0.7975%0.754SS**  trans82.4155.3156.3-69.1166.4000121.1
918R24.8Very low27.9Very low225 Ų225142.9 Ų142.985%0.84975%0.754SS**  trans-122.3-173.1-161.1-60165.3162.9172.9-6113.1
919L24.8Very low27.8Very low140 Ų140142 Ų14273%0.73376%0.759SS**  trans99.5123.9163.1-8474.6000115.3
920R29.3Very low27.8Very low229 Ų229137.4 Ų137.486%0.86475%0.75SS**  84.8147.659.2-85-167.1-179.2168.9-2.2112.6
921A29.9Very low26.3Very low79 Ų79139.5 Ų139.565%0.65376%0.755SS**  cis-158.2-173.6-800000107.5
922H29.8Very low26.2Very low171 Ų171136.3 Ų136.379%0.79276%0.758SS**  cis-151.6-168.113.4-124.9-41.5000107.5
923K27.3Very low26Very low186 Ų186134.8 Ų134.881%0.80975%0.752SS**  cis-157.2170.49.2-132.9174.4-177.4178.30105.3
924A25.8Very low25.9Very low78 Ų78135.7 Ų135.765%0.64577%0.768SS**  cis-143-163.81.900000106.6
925A26.6Very low25.8Very low100 Ų100131.3 Ų131.383%0.82677%0.767SS**  cis70124.313.900000117.2
926A27Very low25.8Very low86 Ų86133.9 Ų133.971%0.71177%0.773SS**  cis-153.6177.4-5.900000108.4
927L25.8Very low25.8Very low147 Ų147136.5 Ų136.577%0.7778%0.777SS**  cis-144.3142.429-71.4160.7000108.7
928L25.1Very low25.7Very low160 Ų160133.8 Ų133.884%0.83877%0.772SS**  47.2126.887.6-60.3173.9000114.4
929G25.7Very low25.6Very low72 Ų72127.7 Ų127.774%0.74276%0.764SS**  cis173-167.62.300000110
930S25.2Very low25.5Very low93 Ų93125.9 Ų125.965%0.6576%0.763SS**  cis174.1141.1-20.547.20000111.1
931N24.1Very low25.4Very low160 Ų160120.5 Ų120.586%0.85676%0.756SS**  trans67.2169.3164.9-46.2-23.9000115.4
932S25.1Very low25.1Very low101 Ų101123.1 Ų123.171%0.70676%0.759SS**  cis-148.6138.96.541.10000108.1
933S23.5Very low25Very low97 Ų97119.6 Ų119.668%0.67875%0.754SS**  71.9136.754.282.60000115.5
934T26.3Very low24.8Very low153 Ų153116.7 Ų116.794%0.93975%0.752SS**  trans79.4148.9-174.682.70000115.5
935G24.3Very low24.8Very low73 Ų73118.6 Ų118.675%0.75376%0.756SS**  cis-164.4153.90.100000115.7
936L23.4Very low24.8Very low158 Ų158119.7 Ų119.783%0.82776%0.755SS**  trans-53.7143178.5-62.3150.4000116
937F24Very low24.7Very low204 Ų204119 Ų11990%0.89576%0.756SS**  trans-179.7129.3136.6-87.6-63.4000105.6
938S22.5Very low24.6Very low98 Ų98116.7 Ų116.769%0.68575%0.753SS**  cis68.1126.533.4-49.80000113.9
939S22.3Very low24.6Very low97 Ų97115.7 Ų115.768%0.67875%0.748SS**  cis-173.1168.4-8.952.40000109.3
940S23.6Very low24.5Very low102 Ų102119.2 Ų119.271%0.71375%0.75SS**  trans59.9142.2153.756.10000117.5
941T26.4Very low24.7Very low116 Ų116120.4 Ų120.471%0.71276%0.756SS**  -166.7169.855.639.10000109.3
942D24.2Very low24.7Very low133 Ų133117.7 Ų117.771%0.71175%0.749SS**  cis-161.1152.5-6.2-116.3-27.7000112.4
943S25.8Very low24.9Very low98 Ų98118 Ų11869%0.68575%0.752SS**  trans56.4149.6138.781.60000121.8
944T24Very low24.9Very low125 Ų125119.1 Ų119.177%0.76776%0.759SS**  cis-163.6157.2-16.916.50000106.6
945T26.3Very low24.9Very low118 Ų118117.7 Ų117.772%0.72476%0.756SS**  175.7154.891.8-59.80000108.7
946C26.4Very low25.2Very low122 Ų122120.3 Ų120.382%0.82476%0.762SS**  trans53.1133.8174.862.20000118.1
947G23.6Very low25.4Very low71 Ų71116.8 Ų116.873%0.73276%0.756SS**  cis93.4120-3.100000113.9
948S25Very low25.7Very low99 Ų99113.8 Ų113.869%0.69275%0.749SS**  cis-1631751.3620000112.1
949N24.7Very low26.1Very low139 Ų139116.2 Ų116.274%0.74376%0.759SS**  trans81.9149.4171.6-42.9-14.1000114.1
950D23.7Very low26.5Very low147 Ų147116 Ų11679%0.78675%0.754SS**  cis-128.1169.312.9-102.8-47.1000114.3
951P28.7Very low27.1Very low118 Ų118117.4 Ų117.477%0.76675%0.754SS**  trans-99.7-174.5-164.840.6-39.1000116
952S25.8Very low27.5Very low103 Ų103115.8 Ų115.872%0.7275%0.752SS**  trans-88.3155.9-167.9590000117.1
953S28.6Very low28.1Very low108 Ų108114.7 Ų114.776%0.75575%0.746SS**  trans62.992.6145.663.70000119.9
954S23.5Very low28.6Very low120 Ų120116.1 Ų116.184%0.83975%0.746SS**  -178.9129.3120.551.30000112.4
955S25.4Very low29.2Very low123 Ų123115.9 Ų115.986%0.8674%0.739SS**  trans-168.596.7163.244.30000113.4
956S30.6Very low29.6Very low128 Ų128112.1 Ų112.190%0.89572%0.723SS**  trans-92.585.4163.1560000110.4
957A29.1Very low29.9Very low84 Ų84111.4 Ų111.469%0.69471%0.712SS**  trans-178.8114.8161.200000111.7
958L29.8Very low30.5Very low141 Ų141113.2 Ų113.274%0.73870%0.703SS**  trans-172.731.5152.9-109.2160.3000114T960L958-T960 PolarHBondContact O-N 3.26Å
959T30.6Very low31Very low148 Ų148113.1 Ų113.191%0.90869%0.693SS**THydrogen-bonded Turntrans-81.161.9177.5500000112.2
960T31.4Very low31.5Very low93 Ų93109 Ų10957%0.57168%0.678SS**THydrogen-bonded Turntrans-131.9-23.1-178.344.90000115L958L958-T960 PolarHBondContact O-N 3.26Å
961N35.6Very low31.9Very low131 Ų131112.1 Ų112.170%0.70168%0.679SS**THydrogen-bonded Turntrans-89.4-0.6-172.1-70.52.3000115.2N963N961-N963 VanDerWaalsContact C-N 3.3Å; N961-N963 PolarHBondContact O-N 3.16Å
962A33.5Very low32.1Very low83 Ų83114.4 Ų114.469%0.68668%0.678SS**THydrogen-bonded Turntrans-69.2-27.1173.800000113
963N38.7Very low32.3Very low110 Ų110116.8 Ų116.859%0.58868%0.677SS**Hα-helixtrans-78.9-20.6-170.2-691.3000113.9N961 G966 N967N961-N963 VanDerWaalsContact C-N 3.3Å; N961-N963 PolarHBondContact O-N 3.16Å; N963-G966 PolarHBondContact O-N 2.99Å; N963-N967 WeakPolarHBondContact O-CB 3.34Å; N963-N967 PolarHBondContact O-N 3.15Å; N963-N967 PolarHBondContact O-ND2 3.39Å; N963-N967 PolarHBondContact O-OD1 2.3Å
964L36.2Very low32.4Very low127 Ų127118.7 Ų118.767%0.66568%0.679SS**Hα-helixtrans-71.8-43.9-173-162.867.3000112.3I968L964-I968 WeakPolarHBondContact O-CG1 3.36Å; L964-I968 PolarHBondContact O-N 2.9Å
965L35.7Very low32.6Very low121 Ų121120.6 Ų120.663%0.63468%0.676SS**Hα-helixtrans-67.8-37.8170.7-111.773.1000111.8N967 I968 M969L965-N967 VanDerWaalsContact C-N 3.33Å; L965-N967 PolarHBondContact O-N 2.93Å; L965-I968 PolarHBondContact O-N 3.24Å; L965-M969 PolarHBondContact O-N 3.14Å
966G34.2Very low32.9Very low38 Ų38121.8 Ų121.839%0.39267%0.673SS.*Hα-helixtrans-59.2-41.8176.200000112.8N963 I968 M969 A970N963-G966 PolarHBondContact O-N 2.99Å; G966-I968 PolarHBondContact O-N 2.95Å; G966-M969 PolarHBondContact O-N 3.45Å; G966-A970 WeakPolarHBondContact O-CB 3.26Å; G966-A970 PolarHBondContact O-N 3.14Å
967N34.2Very low32.9Very low108 Ų108120.7 Ų120.758%0.57866%0.663SS**Hα-helixtrans-67.3-34.2177.2-70.6-8.1000112.7N963 L965 W971N963-N967 WeakPolarHBondContact O-CB 3.34Å; N963-N967 PolarHBondContact O-N 3.15Å; N963-N967 PolarHBondContact O-ND2 3.39Å; N963-N967 PolarHBondContact O-OD1 2.3Å; L965-N967 VanDerWaalsContact C-N 3.33Å; L965-N967 PolarHBondContact O-N 2.93Å; N967-W971 PolarHBondContact O-N 3.45Å
968I36Very low32.9Very low109 Ų109126.2 Ų126.256%0.55967%0.674SS**Hα-helixtrans-69.2-39.2175-66167000110.6L964 L965 G966L964-I968 WeakPolarHBondContact O-CG1 3.36Å; L964-I968 PolarHBondContact O-N 2.9Å; L965-I968 PolarHBondContact O-N 3.24Å; G966-I968 PolarHBondContact O-N 2.95Å
969M35.6Very low32.8Very low96 Ų96123.1 Ų123.147%0.47368%0.677SS.*Hα-helixtrans-69.4-37.4174.2-70.2-178.2173.400112.5L965 G966 W971 F972 H973L965-M969 PolarHBondContact O-N 3.14Å; G966-M969 PolarHBondContact O-N 3.45Å; M969-W971 PolarHBondContact O-N 2.86Å; M969-F972 PolarHBondContact O-N 2.9Å; M969-H973 PolarHBondContact O-CD2 3.31Å; M969-H973 VanDerWaalsContact O-CD2 3.28Å; M969-H973 PolarHBondContact O-N 2.95Å
970A34.4Very low32.6Very low53 Ų53124.1 Ų124.144%0.43868%0.675SS.*Hα-helixtrans-56-40.1175.800000112G966 F972 H973 D974G966-A970 WeakPolarHBondContact O-CB 3.26Å; G966-A970 PolarHBondContact O-N 3.14Å; A970-F972 PolarHBondContact O-N 3.39Å; A970-H973 PolarHBondContact O-N 3.46Å; A970-H973 VanDerWaalsContact O-N 3.13Å; A970-D974 PolarHBondContact O-N 3.02Å
971W32.9Very low32.3Very low212 Ų212125.9 Ų125.980%0.80369%0.686SS**Hα-helixtrans-63.2-23.7177.7-16082.4000114.1N967 M969N967-W971 PolarHBondContact O-N 3.45Å; M969-W971 PolarHBondContact O-N 2.86Å
972F31.4Very low31.8Very low167 Ų167127.7 Ų127.773%0.73269%0.694SS**Hα-helixtrans-89.7-22.5174.6-103.4-87.6000114M969 A970M969-F972 PolarHBondContact O-N 2.9Å; A970-F972 PolarHBondContact O-N 3.39Å
973H31.9Very low31.6Very low152 Ų152130.2 Ų130.270%0.70470%0.701SS**Hα-helixtrans-87.9-18.6-179.4-77.6-64.8000114.3M969 A970 M975M969-H973 PolarHBondContact O-CD2 3.31Å; M969-H973 VanDerWaalsContact O-CD2 3.28Å; M969-H973 PolarHBondContact O-N 2.95Å; A970-H973 PolarHBondContact O-N 3.46Å; A970-H973 VanDerWaalsContact O-N 3.13Å; H973-M975 PolarHBondContact O-N 3.05Å
974D28.7Very low31.1Very low149 Ų149130.5 Ų130.580%0.79771%0.709SS**  trans-78.532.2-171.9-127.917.9000115A970A970-D974 PolarHBondContact O-N 3.02Å
975M29.5Very low31.4Very low160 Ų160129.8 Ų129.879%0.78871%0.712SS**  trans-117.149.3176.8-90-77.8170.600112.4H973H973-M975 PolarHBondContact O-N 3.05Å
976N30.3Very low30.9Very low147 Ų147131.1 Ų131.179%0.78673%0.725SS**SBendtrans-135.5125.5161.3-163.432000109.5
977P32Very low30.6Very low106 Ų106136.6 Ų136.669%0.68875%0.745SS**  trans-86.7126.7-162.331.3-34.5000115.4
978Q28.5Very low31.1Very low199 Ų199136.1 Ų136.193%0.9375%0.748SS**  trans71.7138.7156.1-53.317715.200117.7
979G28.6Very low30.7Very low77 Ų77137.8 Ų137.879%0.79476%0.758SS**  trans174.6-30.416700000120.5
980I24.4Very low30.2Very low169 Ų169140.1 Ų140.187%0.86778%0.777SS**  trans-105.7121-172.1-60.3-179.7000112.3
981T25.6Very low29.7Very low130 Ų130141.7 Ų141.780%0.79879%0.79SS**PPolyproline II helixtrans-87.8137.6170.843.70000112
982L25.9Very low30Very low169 Ų169137.4 Ų137.489%0.88579%0.79SS**PPolyproline II helixtrans-79.8146.2177.8-72.9164.2000112.8
983V29.1Very low29.5Very low136 Ų136136.8 Ų136.882%0.82479%0.794SS**PPolyproline II helixtrans-97.1135.6172.2176.10000110.4
984P28.6Very low29.8Very low115 Ų115134.9 Ų134.975%0.74780%0.795SS**  trans-116.2165.3151.87.814.4000112.5
985P42.8Very low29.6Very low113 Ų113134.6 Ų134.673%0.73479%0.789SS**  trans-124.2171-145.942.3-31.7000116.4
986T24.6Very low29.3Very low149 Ų149136.6 Ų136.691%0.91479%0.787SS**  trans-166.1141.2141.115.10000114.2
987D27.1Very low29Very low152 Ų152132.8 Ų132.881%0.81378%0.783SS**  trans-82.4178163.8-102.2-56.9000111.1
988P46.5Very low28.6Very low98 Ų98136.5 Ų136.564%0.63679%0.791SS**  cis-145.5178.519.145-26.4000119.1
989N25.6Very low28.3Very low144 Ų144131.1 Ų131.177%0.7779%0.789SS**  trans66.3123.3146.5-69.4-35.8000122.2
990V26.2Very low27.9Very low145 Ų145133.4 Ų133.488%0.87979%0.791SS**  170.1148.7111.8156.10000110.3
991A24.3Very low28.6Very low86 Ų86129.6 Ų129.671%0.71178%0.777SS**  trans-127.2-177.7177.600000110.1
992P38.3Very low28.6Very low123 Ų123132.7 Ų132.780%0.79978%0.783SS**  cis-138.9-162.91.642.7-21.9000115.6
993L22Very low28.5Very low154 Ų154128.4 Ų128.481%0.80678%0.78SS**  trans-36164.3158.7-73.2169.7000116.1
994P37.6Very low28.2Very low112 Ų112129.6 Ų129.673%0.72778%0.782SS**  cis-161.7174.749.246-23.3000123.3
995E23.7Very low28Very low142 Ų142131.6 Ų131.666%0.66478%0.781SS**  trans67.8131.7138.6-84.2-159.9140.800127.6
996R23.7Very low27.2Very low202 Ų202134.7 Ų134.776%0.76278%0.783SS**  trans79.3149.2131.1-77.7-179-172.6-94.6-8.1125.2
997G23.9Very low27.1Very low67 Ų67131.6 Ų131.669%0.69178%0.781SS**  trans113.882.3156.100000114.4
998E23Very low26.9Very low185 Ų185128 Ų12886%0.86478%0.779SS**  60.2123.477.1-64.8-165.9115.600115.8
999G23.4Very low25.7Very low85 Ų85132.3 Ų132.388%0.87679%0.789SS**  trans175.48817900000115.3
1000C20Very low25.5Very low125 Ų125132 Ų13285%0.84579%0.785SS**  trans-114.6-175.7166.5-135.20000107.8
1001P39.9Very low25.3Very low89 Ų89128.1 Ų128.158%0.57878%0.775SS**  cis-138.9-171-1141.6-22.7000114.6
1002Q24.1Very low25.2Very low195 Ų195133.1 Ų133.191%0.91178%0.781SS**  trans61.8132.7144.3-77162.84.300123
1003G23.8Very low24.5Very low80 Ų80134.2 Ų134.283%0.82578%0.779SS**  trans-174.7127158.100000109.4
1004N24Very low24.5Very low161 Ų161133.3 Ų133.386%0.86178%0.775SS**  trans-150.2122.5-165.8-178.725.3000112.2
1005E24.4Very low23.9Very low157 Ų157134.1 Ų134.173%0.73477%0.774SS**  trans173.7160.2162.8-101.6-179.1170.300109.7
1006K24.9Very low23.9Very low177 Ų177139.1 Ų139.177%0.7779%0.786SS**  cis-172140.1-37.3-115.5-175.8-155.2141.40108.5
1007G23.8Very low24Very low85 Ų85138.1 Ų138.188%0.87679%0.787SS**  trans79.7164.6170.500000115.7
1008G22.3Very low24.5Very low76 Ų76139.9 Ų139.978%0.78479%0.787SS**  cis159.4135.6-11.800000115.1
1009F20.6Very low24.5Very low189 Ų189137.9 Ų137.983%0.82978%0.777SS**  trans80.5115.2158.7-125.6-112.7000121.4
1010I22.7Very low24.4Very low136 Ų136141.2 Ų141.270%0.69777%0.77SS**  trans28.3128.5135.2-46-176.5000120.7
1011G21.6Very low24.6Very low64 Ų64140.2 Ų140.266%0.6677%0.771SS**  138.9122.9125.800000121.5
1012F21.8Very low23.8Very low191 Ų191145 Ų14584%0.83879%0.788SS**  trans43.8118.4133.8-78.8-92.8000124.1
1013L23.1Very low23.8Very low146 Ų146140.5 Ų140.576%0.76478%0.784SS**  67.4168.1125-116139.1000123
1014D23.4Very low23.7Very low136 Ų136144.2 Ų144.273%0.72779%0.785SS**  trans68.698.6171.2-73.3-25.1000121.8
1015D23.6Very low23.7Very low129 Ų129141.1 Ų141.169%0.6978%0.782SS**  37.9130.8106.8-156.6-15000119.8K1017D1015-K1017 PolarHBondContact OD1-N 3.28Å
1016R24.8Very low23.6Very low247 Ų247136.8 Ų136.893%0.93278%0.779SS**  trans-15992.3144.9-110.2159.6-159.2-143.82.4114.2
1017K26Very low23.4Very low180 Ų180137.9 Ų137.978%0.78378%0.784SS**  trans-59.2163.4132-96177.3179.4175.60109.8D1015D1015-K1017 PolarHBondContact OD1-N 3.28Å
1018P34Very low23.3Very low104 Ų104138.8 Ų138.868%0.67578%0.776SS**  cis-142-156.34140-15.5000112.4
1019Q22.3Very low23.2Very low143 Ų143139.8 Ų139.867%0.66877%0.767SS**  cis-154.7155.86.9-154.9137.60.400114
1020E22Very low23.4Very low155 Ų155138.3 Ų138.372%0.72476%0.762SS**  trans1.3142.5160.2-65.5137.3-140.800123.3
1021A24.3Very low23.4Very low105 Ų105141.7 Ų141.787%0.86877%0.767SS**  -143.6144120.400000110.3
1022M22.4Very low23.5Very low189 Ų189143.5 Ų143.593%0.93177%0.769SS**  trans-120.1138179.6-79.3-178.615800112.1
1023A24.5Very low23.5Very low100 Ų100138.8 Ų138.883%0.82676%0.76SS**  trans174.4132.3145.500000107.4
1024D22Very low23.7Very low159 Ų159138.1 Ų138.185%0.8576%0.757SS**  cis108.1134.717.8-166.630.1000113.8
1025A23.2Very low23.8Very low96 Ų96137.6 Ų137.679%0.79376%0.759SS**  trans56.9154.8-172.800000117.5
1026G22.3Very low23.9Very low65 Ų65137.6 Ų137.667%0.6776%0.755SS**  cis156.5144.1-9.400000112.8
1027F20.5Very low24Very low201 Ų201133.1 Ų133.188%0.88275%0.745SS**  trans59131.5178-89.1-116.1000116.5
1028C21.2Very low24.1Very low104 Ų104131 Ų13170%0.70374%0.735SS**  cis88.414036.9-158.70000115
1029T21.8Very low23.8Very low97 Ų97133.9 Ų133.960%0.59574%0.74SS**  trans74.7120.4167.642.10000122.7
1030Q23.9Very low23.9Very low157 Ų157132 Ų13273%0.73474%0.742SS**  trans78157.8137-64.517635.600118
1031R23.2Very low24.4Very low208 Ų208129 Ų12979%0.78574%0.744SS**  cis-160.6155.115.7-150.2174.1-175.8172.30.9114.1
1032S23Very low24.6Very low101 Ų101130.3 Ų130.371%0.70674%0.741SS**  trans62.6150.1147.139.80000120.6
1033S23Very low24.9Very low93 Ų93125.1 Ų125.165%0.6573%0.728SS**  cis-172.5141.4-642.90000112.9
1034N26.1Very low24.9Very low131 Ų131128.5 Ų128.570%0.70173%0.727SS**  trans61.3157.7142.9-55.833.9000118E1036N1034-E1036 VanDerWaalsContact CB-OE1 3.31Å; N1034-E1036 WeakPolarHBondContact CB-OE1 3.46Å; N1034-E1036 VanDerWaalsContact CG-OE1 3.31Å; N1034-E1036 PolarHBondContact ND2-OE1 3.47Å
1035T25.2Very low25.3Very low126 Ų126131.6 Ų131.677%0.77373%0.727SS**  cis-148163.121.351.40000110.1
1036E25.6Very low26.1Very low129 Ų129132.9 Ų132.960%0.60373%0.727SS**  cis-177.4162.9-31-107153.9-11600108.7N1034N1034-E1036 VanDerWaalsContact CB-OE1 3.31Å; N1034-E1036 WeakPolarHBondContact CB-OE1 3.46Å; N1034-E1036 VanDerWaalsContact CG-OE1 3.31Å; N1034-E1036 PolarHBondContact ND2-OE1 3.47Å
1037E27.2Very low26.4Very low153 Ų153135.1 Ų135.172%0.71573%0.728SS**  trans70144167.4-49.5-117.7119.400118.4
1038K27.5Very low26.7Very low135 Ų135133.6 Ų133.659%0.58772%0.723SS**  cis-159.4147.7-6.6-125.4-172.717778.10112.5
1039E28.3Very low26.9Very low164 Ų164135.1 Ų135.177%0.76672%0.724SS**  trans33.3145.2142.5-68.7166.9149.400122.4
1040S25.7Very low27Very low104 Ų104137 Ų13773%0.72773%0.73SS**  cis-160.5133.5-0.550.40000108.7
1041A31.3Very low27.1Very low93 Ų93136.3 Ų136.377%0.76973%0.731SS**  64.1145.177.100000113.4
1042V28.8Very low27.2Very low131 Ų131133.6 Ų133.679%0.79474%0.737SS**  cis-150.6152.320.2170.40000106.9
1043A28.1Very low27.2Very low80 Ų80132.4 Ų132.466%0.66174%0.741SS**  cis-167.7-143.3-23.500000105.5
1044E25.4Very low27.3Very low172 Ų172135.5 Ų135.580%0.80475%0.749SS**  cis-162.1-170.4-0.4-149.5136.5-100.700111.1
1045R31.1Very low27.3Very low223 Ų223135.9 Ų135.984%0.84275%0.751SS**  trans-161.2163177.1-110.2179.1-175.2-179.81.7107.6
1046P40Very low27.2Very low124 Ų124136.7 Ų136.781%0.80576%0.756SS**  -156.7-134.28142.9-19.3000115.3
1047T27.1Very low27.2Very low112 Ų112138.1 Ų138.169%0.68777%0.765SS**  trans-152.3161.4-14049.10000115.7
1048Q26.6Very low27.1Very low168 Ų168138.2 Ų138.279%0.78577%0.765SS**  trans82.7140.3143.7-107.5-178.5-27.200121.8
1049L25.4Very low27.3Very low136 Ų136139.2 Ų139.271%0.71278%0.776SS**  trans69.6151.7159.3-60.1163.7000116.1
1050D23.7Very low28.2Very low136 Ų136136.7 Ų136.773%0.72777%0.774SS**  cis-145.3-17215.1-140.6-34.3000113.5
1051L26.4Very low28.3Very low144 Ų144142.4 Ų142.475%0.75478%0.781SS**  trans-77.8172.6-176.8-80.179.2000116.1
1052V25Very low28.2Very low151 Ų151144.3 Ų144.392%0.91578%0.784SS**  trans91.6132.5156.1-169.80000117.7
1053G24.2Very low28.1Very low76 Ų76142.6 Ų142.678%0.78478%0.783SS**  trans146.9113.8155.300000115.4
1054L25.8Very low28.1Very low158 Ų158143.1 Ų143.183%0.82779%0.787SS**  trans-92160.4175.5-99.3156.8000112.8
1055D24.5Very low28.9Very low138 Ų138140.3 Ų140.374%0.73878%0.784SS**  trans83151.8143-75.6-35000124.9
1056T23.1Very low28.7Very low144 Ų144137.3 Ų137.388%0.88379%0.785SS**  trans101.6155.3152.8-8.80000119.6
1057M26.4Very low28.2Very low158 Ų158134.3 Ų134.378%0.77878%0.776SS**  trans-126.8169.1-148.1-133.9-168-172.400113.2
1058Q25.2Very low28.2Very low156 Ų156135.3 Ų135.373%0.72979%0.788SS**  trans74.7110.6150-73.2172.4-6.200122.5
1059L31.9Very low28.2Very low156 Ų156130.8 Ų130.882%0.81779%0.786SS**  34.6146.1112.9-64.9172.8000121.7
1060P47.5Very low28.2Very low111 Ų111132.7 Ų132.772%0.72179%0.791SS**  -146.8133.3115.427.3-6.9000118.1
1061Y27Very low28.4Very low223 Ų223134.5 Ų134.588%0.87580%0.795SS**  trans55.3178.5161.3-65.7-75.6000118
1062T28.4Very low28.3Very low133 Ų133130.7 Ų130.782%0.81679%0.79SS**  cis-152.5177.83.8-17.50000107.2
1063A26.4Very low28.4Very low95 Ų95131.1 Ų131.179%0.78578%0.783SS**  cis-159-165.64.800000110.3
1064A28.1Very low28.5Very low91 Ų91136.1 Ų136.175%0.75278%0.778SS**  trans-143.3172.1174.600000111.9
1065P42.8Very low28.4Very low113 Ų113131.2 Ų131.273%0.73476%0.756SS**  -145.7157.969.840.4-22.3000118.6
1066D28.1Very low28.9Very low161 Ų161129.4 Ų129.486%0.86174%0.742SS**  trans32143.2143.3-48.3-23.4000123.8
1067G27.7Very low29Very low60 Ų60123.2 Ų123.262%0.61971%0.707SS**  cis167.3174.7-4.400000115.9
1068S27.7Very low28.9Very low134 Ų134116.3 Ų116.394%0.93767%0.674SS**  trans62137.6177.166.90000117.7
1069G26.5Very low28.8Very low72 Ų72111.5 Ų111.574%0.74265%0.652SS**  cis168.6164.3-2.200000110
1070E26.8Very low28.5Very low176 Ų176107.1 Ų107.182%0.82263%0.631SS**  cis-149.5167.2-2.7-79.2-167.5101.300111.5
1071H26.8Very low27.4Very low174 Ų174102.4 Ų102.481%0.80660%0.6SS**  trans-16.6159.3169-53.7-75.7000122.4
1072G24.6Very low27.4Very low64 Ų6491.8 Ų91.866%0.6656%0.558SS**  cis137.6135.2-11.300000117
1073E26.5Very low27.8Very low160 Ų16087 Ų8775%0.74853%0.529SS*.  trans64.5175.8159.9-41.8-163.2153.400118.5
1074R26.4Very low27.7Very low182 Ų18283.7 Ų83.769%0.68750%0.496SS*.  cis-159.7173.13.2-146.6-178166100.7-7.8113.7
1075S24.9Very low27.5Very low54 Ų5481.7 Ų81.738%0.37848%0.477SS..  trans1.5158.6152.957.90000123.1Q250Q250-S1075 PolarHBondContact NE2-O 2.77Å
1076K33.3Very low26.5Very low101 Ų10179 Ų7944%0.43946%0.457SS..  cis89.488.329-57.8-145.1129.1-145.10118.1D247D247-K1076 HydrophobicContact CB-CB 3.72Å; D247-K1076 HydrophobicContact CB-CD 3.78Å; D247-K1076 VanDerWaalsContact CB-CE 3.46Å; D247-K1076 HydrophobicContact CB-CG 3.68Å; D247-K1076 CarbonylContact O-C 3.59Å; D247-K1076 VanDerWaalsContact O-C 3.31Å; D247-K1076 WeakPolarHBondContact O-CA 3.29Å; D247-K1076 PolarHBondContact O-N 2.89Å; D247-K1076 VanDerWaalsContact O-N 3.11Å; D247-K1076 WeakPolarHBondContact OD1-CB 3.22Å; D247-K1076 VanDerWaalsContact OD2-CD 3.3Å; D247-K1076 WeakPolarHBondContact OD2-CD 3.23Å; D247-K1076 VanDerWaalsContact OD2-CE 3.22Å; D247-K1076 WeakPolarHBondContact OD2-CE 3.13Å; D247-K1076 IonicContact OD2-NZ 3.34Å; D247-K1076 PolarHBondContact OD2-NZ 3.26Å
1077G25.3Very low26.4Very low14 Ų1479.1 Ų79.114%0.14445%0.446CS..  trans-171159.2155.700000113.7A246 D247 Q250 A251A246-G1077 CarbonylContact C-O 3.6Å; A246-G1077 VanDerWaalsContact C-O 3.29Å; A246-G1077 CarbonylContact O-C 3.53Å; D247-G1077 CarbonylContact C-O 3.56Å; D247-G1077 VanDerWaalsContact CA-N 3.26Å; D247-G1077 VanDerWaalsContact CA-O 3.29Å; D247-G1077 WeakPolarHBondContact CA-O 3.39Å; D247-G1077 PolarHBondContact O-N 2.88Å; D247-G1077 VanDerWaalsContact O-O 3.08Å; D247-G1077 WeakPolarHBondContact OD1-CA 3.38Å; D247-G1077 PolarHBondContact OD1-N 2.92Å; D247-G1077 VanDerWaalsContact OD1-N 3.12Å; Q250-G1077 CarbonylContact C-O 3.43Å; Q250-G1077 WeakPolarHBondContact CA-O 3.33Å; Q250-G1077 PolarHBondContact N-O 3.25Å; A251-G1077 PolarHBondContact N-O 3.45Å; A251-G1077 CarbonylContact O-C 3.34Å; A251-G1077 WeakPolarHBondContact O-CA 3.44Å
1078C24.1Very low26.2Very low13 Ų1379.3 Ų79.39%0.08844%0.442CS..  trans-96.8-116.1-158.2-47.40000122.4A246 D247 A251 P252 L253A246-C1078 HydrophobicContact CB-CB 3.25Å; A246-C1078 WeakPolarHBondContact CB-SG 3.46Å; D247-C1078 PolarHBondContact N-SG 2.67Å; D247-C1078 VanDerWaalsContact N-SG 3.44Å; A251-C1078 CarbonylContact C-O 3.56Å; A251-C1078 VanDerWaalsContact CA-C 3.47Å; A251-C1078 WeakPolarHBondContact CA-O 3.32Å; A251-C1078 WeakPolarHBondContact CB-O 3.37Å; A251-C1078 PolarHBondContact N-O 3.07Å; A251-C1078 PolarHBondContact O-N 3.13Å; P252-C1078 VanDerWaalsContact N-C 3.27Å; P252-C1078 WeakPolarHBondContact O-CB 3.24Å; L253-C1078 VanDerWaalsContact N-CB 3.31Å; L253-C1078 CarbonylContact O-C 3.58Å; L253-C1078 VanDerWaalsContact O-CB 3.26Å; L253-C1078 WeakPolarHBondContact O-CB 3.42Å
1079H23.9Very low26Very low55 Ų5577.4 Ų77.426%0.25543%0.429SS..  trans57.8161.415269.141.5000121.1A251 P252 L253 F254 T255 D1081A251-H1079 VanDerWaalsContact CB-C 3.47Å; A251-H1079 WeakPolarHBondContact CB-O 3Å; P252-H1079 VanDerWaalsContact CB-ND1 3.31Å; P252-H1079 WeakPolarHBondContact CB-ND1 3.27Å; P252-H1079 VanDerWaalsContact CD-ND1 3.31Å; P252-H1079 WeakPolarHBondContact CD-ND1 3.27Å; P252-H1079 WeakPolarHBondContact CG-ND1 3.22Å; L253-H1079 VanDerWaalsContact C-CG 3.48Å; L253-H1079 VanDerWaalsContact CA-N 3.29Å; L253-H1079 VanDerWaalsContact CB-CD2 3.46Å; L253-H1079 WeakPolarHBondContact CB-CD2 3.17Å; L253-H1079 VanDerWaalsContact N-CA 3.29Å; L253-H1079 PolarHBondContact N-ND1 3.11Å; L253-H1079 PolarHBondContact O-N 2.91Å; F254-H1079 AromaticContact CD2-CD2 3.71Å; F254-H1079 PolarHBondContact N-CD2 3.19Å; T255-H1079 WeakPolarHBondContact CB-O 3.4Å; T255-H1079 VanDerWaalsContact OG1-C 3.3Å; T255-H1079 PolarHBondContact OG1-O 3.07Å; H1079-D1081 IonicContact CD2-OD2 3.83Å
1080V25.3Very low25.8Very low63 Ų6380.3 Ų80.338%0.38243%0.427SS..  cis-137.891.1-13-162.60000116T255 P290T255-V1080 VanDerWaalsContact CB-N 3.28Å; T255-V1080 WeakPolarHBondContact OG1-CA 2.91Å; T255-V1080 PolarHBondContact OG1-N 2.86Å; T255-V1080 PolarHBondContact OG1-O 2.63Å; P290-V1080 HydrophobicContact CB-CG2 4.49Å
1081D24.2Very low25.7Very low12 Ų1279.7 Ų79.76%0.06442%0.424CS..  trans44.6160.1144.1-76.5-108.8000122.9F254 T255 V287 Q288 H1079F254-D1081 WeakPolarHBondContact CB-OD1 3.12Å; F254-D1081 HydrophobicContact CD1-CB 3.35Å; F254-D1081 WeakPolarHBondContact CD1-OD1 3.45Å; F254-D1081 WeakPolarHBondContact CD1-OD2 3.46Å; F254-D1081 HydrophobicContact CD2-CB 3.81Å; F254-D1081 WeakPolarHBondContact CD2-OD1 3.42Å; F254-D1081 WeakPolarHBondContact CD2-OD2 3.35Å; F254-D1081 HydrophobicContact CE1-CB 2.66Å; F254-D1081 WeakPolarHBondContact CE1-OD1 3.38Å; F254-D1081 WeakPolarHBondContact CE1-OD2 3.49Å; F254-D1081 HydrophobicContact CE2-CB 3.18Å; F254-D1081 WeakPolarHBondContact CE2-OD1 3.12Å; F254-D1081 WeakPolarHBondContact CE2-OD2 3.35Å; F254-D1081 HydrophobicContact CG-CB 3.9Å; F254-D1081 WeakPolarHBondContact CG-OD1 3.43Å; F254-D1081 WeakPolarHBondContact CG-OD2 3.49Å; F254-D1081 HydrophobicContact CZ-CB 2.59Å; F254-D1081 WeakPolarHBondContact CZ-OD1 3.37Å; T255-D1081 PolarHBondContact OG1-N 3.2Å; V287-D1081 WeakPolarHBondContact CG1-O 3.42Å; Q288-D1081 PolarHBondContact N-O 3.14Å; H1079-D1081 IonicContact CD2-OD2 3.83Å
1082S27.8Very low25.6Very low1 Ų179.3 Ų79.31%0.00743%0.427CS..  trans-68.2152-164.30.10000117G286 S351 Q386 L387G286-S1082 CarbonylContact O-C 3.53Å; G286-S1082 VanDerWaalsContact O-C 3.3Å; G286-S1082 WeakPolarHBondContact O-CA 3.49Å; G286-S1082 WeakPolarHBondContact O-CB 3.32Å; S351-S1082 PolarHBondContact OG-O 3.02Å; Q386-S1082 PolarHBondContact NE2-O 3.38Å; Q386-S1082 PolarHBondContact NE2-OG 3.31Å; Q386-S1082 VanDerWaalsContact OE1-C 3.31Å; Q386-S1082 PolarHBondContact OE1-O 3.24Å; L387-S1082 WeakPolarHBondContact CB-OG 3.38Å; L387-S1082 WeakPolarHBondContact O-CB 3.46Å; L387-S1082 PolarHBondContact O-OG 3.14Å
1083P36.1Very low25.9Very low31 Ų3182.1 Ų82.120%0.20143%0.434CS..  -160.8139.5126.236.6-13.4000122.6G286 Q288 C352 Q386G286-P1083 WeakPolarHBondContact O-CD 3.26Å; Q288-P1083 HydrophobicContact CG-CG 3.57Å; C352-P1083 HydrophobicContact CB-CB 3.74Å; Q386-P1083 VanDerWaalsContact OE1-CB 3.27Å
1084R24.6Very low25.7Very low26 Ų2679.4 Ų79.410%0.09843%0.433CS..  59.5-173.5128.4-71-131.2-177.5125.32.6122.3C352 G353 H354 C379 C384 Q386C352-R1084 HydrophobicContact CB-CB 4.22Å; C352-R1084 HydrophobicContact CB-CG 3.55Å; C352-R1084 PolarHBondContact O-NH1 3.01Å; C352-R1084 PolarHBondContact SG-NE 3.1Å; C352-R1084 PolarHBondContact SG-NH1 2.99Å; C352-R1084 VanDerWaalsContact SG-NH1 3.39Å; C352-R1084 PolarHBondContact SG-NH2 3.13Å; C352-R1084 VanDerWaalsContact SG-NH2 3.39Å; G353-R1084 VanDerWaalsContact C-NH1 3.32Å; H354-R1084 VanDerWaalsContact CB-NH1 3.35Å; H354-R1084 PolarHBondContact CD2-NH1 3.25Å; H354-R1084 PolarHBondContact CE1-NH1 2.89Å; H354-R1084 PolarHBondContact ND1-NE 3.05Å; H354-R1084 PolarHBondContact ND1-NH1 3.34Å; H354-R1084 VanDerWaalsContact ND1-NH1 3.13Å; H354-R1084 PolarHBondContact NE2-NH1 3.42Å; H354-R1084 PolarHBondContact O-NH2 2.91Å; C379-R1084 PolarHBondContact SG-NE 3.03Å; C379-R1084 PolarHBondContact SG-NH2 3.06Å; C384-R1084 VanDerWaalsContact SG-CD 3.53Å; C384-R1084 VanDerWaalsContact SG-CG 3.56Å; Q386-R1084 HydrophobicContact CB-CB 4.48Å; Q386-R1084 HydrophobicContact CB-CG 3.62Å; Q386-R1084 HydrophobicContact CG-CG 4.49Å
1085S23.4Very low25.7Very low50 Ų5077 Ų7735%0.3544%0.438SS..  -159.1165.6-55.263.40000116.9H354 Y382 D383H354-S1085 PolarHBondContact CE1-OG 3.22Å; Y382-S1085 WeakPolarHBondContact O-CB 3.45Å; D383-S1085 VanDerWaalsContact O-CA 3.28Å; D383-S1085 WeakPolarHBondContact O-CA 3.33Å
1086D23Very low25.6Very low57 Ų5779.7 Ų79.731%0.30546%0.457SS..  trans94.1111.9147.4-69.8-55.4000125.6H354 Y382H354-D1086 IonicContact CE1-OD2 3.13Å; H354-D1086 PolarHBondContact CE1-OD2 2.78Å; H354-D1086 IonicContact NE2-OD2 3.78Å; Y382-D1086 PolarHBondContact N-OD1 2.85Å; Y382-D1086 WeakPolarHBondContact O-CA 3.44Å; Y382-D1086 PolarHBondContact O-N 2.78Å
1087Y24.7Very low25.4Very low163 Ų16380.1 Ų80.164%0.63947%0.473SS*.  trans67.7149.1147.3-73.2-113.8000118.9Y382Y382-Y1087 VanDerWaalsContact CB-CD2 3.43Å; Y382-Y1087 AromaticContact CD1-CD1 3.58Å; Y382-Y1087 HydrophobicContact CD1-CD1 3.58Å; Y382-Y1087 AromaticContact CD1-CD2 3.63Å; Y382-Y1087 HydrophobicContact CD1-CD2 3.63Å; Y382-Y1087 AromaticContact CD1-CE1 3.87Å; Y382-Y1087 HydrophobicContact CD1-CE1 3.87Å; Y382-Y1087 AromaticContact CD1-CE2 3.94Å; Y382-Y1087 HydrophobicContact CD1-CE2 3.94Å; Y382-Y1087 AromaticContact CD1-CG 3.43Å; Y382-Y1087 HydrophobicContact CD1-CG 3.43Å; Y382-Y1087 VanDerWaalsContact CD1-CG 3.43Å; Y382-Y1087 HydrophobicContact CE1-CD1 4.05Å; Y382-Y1087 HydrophobicContact CE1-CG 4.1Å; Y382-Y1087 AromaticContact CG-CD2 3.94Å; Y382-Y1087 HydrophobicContact CG-CD2 3.94Å; Y382-Y1087 HydrophobicContact CG-CE2 4.25Å; Y382-Y1087 HydrophobicContact CG-CG 4.14Å
1088A24Very low25.4Very low64 Ų6483 Ų8353%0.52949%0.491SS..  cis-163.7166.7-5.700000113.7Y382Y382-A1088 HydrophobicContact CE1-CB 3.82Å; Y382-A1088 WeakPolarHBondContact OH-CA 3.2Å
1089S24.4Very low25.8Very low94 Ų9489.6 Ų89.666%0.65752%0.52SS*.  trans-2.1137.8161.3-50.90000120.5Y382Y382-S1089 PolarHBondContact OH-N 3.47Å; Y382-S1089 VanDerWaalsContact OH-N 3.16Å
1090D22.3Very low26Very low132 Ų13296.7 Ų96.771%0.70655%0.545SS*.  -176.1162.794.8-129.2-7.8000117.5
1091Q23.7Very low26.3Very low163 Ų16399.5 Ų99.576%0.76255%0.554SS**  trans55.8125.9149.5-71.8169.263.100123.7
1092L24.7Very low26.6Very low167 Ų167104.4 Ų104.487%0.87458%0.58SS**  trans-70.6149.9157.8-72.7162.9000111.3
1093P30.6Very low26.7Very low122 Ų122111.2 Ų111.279%0.79261%0.612SS**  -141.9162.396.238.5-25.4000116.2
1094S23.9Very low26.3Very low104 Ų104115.9 Ų115.973%0.72763%0.632SS**  trans-59.2152.2176.254.60000116.6
1095T24.6Very low26.4Very low131 Ų131121.7 Ų121.780%0.80466%0.66SS**  -161.2124120.229.20000113.1
1096S24.6Very low26.7Very low111 Ų111126.3 Ų126.378%0.77668%0.68SS**  trans14.4113.3146.558.40000121.8
1097S28.9Very low27.3Very low109 Ų109133.7 Ų133.776%0.76273%0.727SS**  -172.4116.6108.5-151.50000105.8
1098S25.5Very low27.4Very low75 Ų75132.2 Ų132.252%0.52473%0.731SS.*  55.8127.352.392.70000112
1099E31.1Very low27.6Very low152 Ų152135.8 Ų135.871%0.7174%0.742SS**  cis-144132.86.9-116130.4-142.500107.2
1100W29.2Very low27.8Very low203 Ų203138.1 Ų138.177%0.76975%0.746SS**  75.1142.491.5-72.225.3000113
1101E30.4Very low28.1Very low122 Ų122138.5 Ų138.557%0.5775%0.749SS**  cis-165.8149.5-3.7-121.2-179.5-176.100109.9
1102D31.7Very low28.4Very low115 Ų115136.9 Ų136.962%0.61575%0.748SS**  57160.4128.4-70.3-18.5000124.3
1103H29.3Very low28.6Very low145 Ų145134.9 Ų134.967%0.67174%0.739SS**  cis-150.3159.5-0.6-132.319.8000114.5
1104M27.8Very low28.5Very low129 Ų129135.9 Ų135.964%0.63574%0.736SS**  trans36.5121142.5-68.5-160.288.700124.2
1105H27.1Very low28.8Very low148 Ų148138.3 Ų138.369%0.68574%0.736SS**  50.8125.9119.1-70.9-94.6000123.4
1106L30Very low29.2Very low146 Ų146138.9 Ų138.976%0.76473%0.731SS**  trans29.1122.5135.3-7099.5000120.4
1107V34.7Very low29.6Very low212 Ų212141.5 Ų141.5100%1.28573%0.727SS**  -124.30100.5177.50000108.4

Retrieved 1,107 of 1,107 residues in 321 ms (Link to these results)

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