A0A087YKT6_POEFO Loading...

Hyccin PI4KA lipid kinase complex subunit 2

AlphaFold DB (A0A3B3W0C2), UniProt , Accession A0A087YKT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 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
1M45.6Very low76.8Confident215 Ų21585.6 Ų85.6100%1.05947%0.474SS*.  0-53.30-79.4179.8167.300112.4G3 S4M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.38Å; M1-G3 VanDerWaalsContact O-N 3.07Å; M1-S4 WeakPolarHBondContact O-CB 3.46Å; M1-S4 PolarHBondContact O-N 3.43Å
2L46.2Very low78.4Confident137 Ų13778.8 Ų78.872%0.71744%0.435SS*.Hα-helixtrans-45.6-41-178-71.1163.8000116.2S4 E5 R6L2-S4 PolarHBondContact O-N 3.46Å; L2-S4 VanDerWaalsContact O-N 3.16Å; L2-E5 PolarHBondContact O-N 3.16Å; L2-R6 PolarHBondContact O-N 3.35Å; L2-R6 VanDerWaalsContact O-N 3.15Å
3G57.5Low79.7Confident63 Ų6373.5 Ų73.565%0.64941%0.406SS*.Hα-helixtrans-60.2-24.5178.600000115.2M1 G7M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.38Å; M1-G3 VanDerWaalsContact O-N 3.07Å; G3-G7 PolarHBondContact O-N 3.22Å
4S68.6Low80.6Confident90 Ų9073.2 Ų73.263%0.62941%0.412SS*.Hα-helixtrans-79.8-26.5175.7-171.90000113M1 L2 V8M1-S4 WeakPolarHBondContact O-CB 3.46Å; M1-S4 PolarHBondContact O-N 3.43Å; L2-S4 PolarHBondContact O-N 3.46Å; L2-S4 VanDerWaalsContact O-N 3.16Å; S4-V8 WeakPolarHBondContact O-CG2 3.5Å
5E74.7Confident81.4Confident61 Ų6172.3 Ų72.329%0.28540%0.403SS..Hα-helixtrans-79.1-41.7177.1-64.7177.6-170.900110.2L2 G7 V8 V9 A40 R43L2-E5 PolarHBondContact O-N 3.16Å; E5-G7 PolarHBondContact O-N 3.49Å; E5-V8 PolarHBondContact O-N 3.24Å; E5-V9 PolarHBondContact O-N 3.09Å; E5-A40 HydrophobicContact CB-CB 4.44Å; E5-R43 IonicContact OE1-CZ 2.7Å; E5-R43 IonicContact OE1-NH1 3.47Å; E5-R43 PolarHBondContact OE1-NH1 3.46Å; E5-R43 IonicContact OE2-CZ 2.84Å; E5-R43 IonicContact OE2-NH1 3.75Å; E5-R43 PolarHBondContact OE2-NH1 3.32Å
6R86.1Confident81.9Confident111 Ų11169.7 Ų69.742%0.41939%0.386SS..Hα-helixtrans-55.5-50.4173.9-175.2176.8178136.112.9111.5L2 V8 V9 E10 E51 L52L2-R6 PolarHBondContact O-N 3.35Å; L2-R6 VanDerWaalsContact O-N 3.15Å; R6-V8 VanDerWaalsContact C-N 3.34Å; R6-V8 PolarHBondContact O-N 3.35Å; R6-V9 PolarHBondContact O-N 3.45Å; R6-V9 VanDerWaalsContact O-N 3.15Å; R6-E10 HydrophobicContact CG-CG 4.41Å; R6-E10 WeakPolarHBondContact CG-OE1 3.38Å; R6-E10 IonicContact CZ-OE1 2.99Å; R6-E10 IonicContact NE-OE1 3.55Å; R6-E10 PolarHBondContact NE-OE1 3.47Å; R6-E10 IonicContact NE-OE2 3.86Å; R6-E10 IonicContact NH2-OE1 2.68Å; R6-E10 PolarHBondContact NH2-OE1 3.25Å; R6-E10 PolarHBondContact O-N 3.28Å; R6-E51 IonicContact CZ-OE2 2.69Å; R6-E51 VanDerWaalsContact CZ-OE2 3.27Å; R6-E51 IonicContact NH1-OE2 2.68Å; R6-E51 PolarHBondContact NH1-OE2 3.36Å; R6-E51 IonicContact NH2-OE2 2.57Å; R6-E51 PolarHBondContact NH2-OE2 3.12Å; R6-L52 HydrophobicContact CG-CD1 4.01Å
7G89.9Confident82.4Confident30 Ų3074.6 Ų74.631%0.30940%0.403SS..Hα-helixtrans-60.1-37.1-17900000114.2G3 E5 V9 E10 E11G3-G7 PolarHBondContact O-N 3.22Å; E5-G7 PolarHBondContact O-N 3.49Å; G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.08Å; G7-E10 PolarHBondContact O-N 3.17Å; G7-E11 VanDerWaalsContact O-CB 3.28Å; G7-E11 WeakPolarHBondContact O-CB 3.5Å; G7-E11 PolarHBondContact O-N 3.31Å
8V93.9Very high82.7Confident32 Ų3275.7 Ų75.719%0.19442%0.416CS..Hα-helixtrans-65.4-36.9177168.30000111.9S4 E5 R6 W12 L37S4-V8 WeakPolarHBondContact O-CG2 3.5Å; E5-V8 PolarHBondContact O-N 3.24Å; R6-V8 VanDerWaalsContact C-N 3.34Å; R6-V8 PolarHBondContact O-N 3.35Å; V8-W12 WeakPolarHBondContact O-CB 3.43Å; V8-W12 PolarHBondContact O-N 3.3Å; V8-W12 VanDerWaalsContact O-N 3.15Å; V8-L37 HydrophobicContact CG1-CB 4.29Å; V8-L37 HydrophobicContact CG1-CD1 4.29Å
9V94.8Very high83.1Confident1 Ų174.1 Ų74.11%0.00641%0.407CS..Hα-helixtrans-73.8-42176.6-179.50000110.5E5 R6 G7 W12 L13 A40 L41 V44 L52 V56E5-V9 PolarHBondContact O-N 3.09Å; R6-V9 PolarHBondContact O-N 3.45Å; R6-V9 VanDerWaalsContact O-N 3.15Å; G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.08Å; V9-W12 HydrophobicContact CG1-CE3 4.41Å; V9-W12 PolarHBondContact O-N 3.21Å; V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 HydrophobicContact CG1-CG 4.41Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.16Å; V9-A40 HydrophobicContact CG2-CB 3.72Å; V9-L41 HydrophobicContact CG1-CD2 4.18Å; V9-L41 HydrophobicContact CG2-CD2 4.35Å; V9-V44 HydrophobicContact CG2-CG2 4.39Å; V9-L52 HydrophobicContact CB-CD1 4.01Å; V9-L52 HydrophobicContact CG1-CD1 3.94Å; V9-V56 HydrophobicContact CG1-CG2 3.57Å
10E94.4Very high83.4Confident77 Ų7774 Ų7436%0.3641%0.41SS..Hα-helixtrans-63.5-40.8176.6-71.1172.7166.300112.3R6 G7 L13 S14 L52R6-E10 HydrophobicContact CG-CG 4.41Å; R6-E10 WeakPolarHBondContact CG-OE1 3.38Å; R6-E10 IonicContact CZ-OE1 2.99Å; R6-E10 IonicContact NE-OE1 3.55Å; R6-E10 PolarHBondContact NE-OE1 3.47Å; R6-E10 IonicContact NE-OE2 3.86Å; R6-E10 IonicContact NH2-OE1 2.68Å; R6-E10 PolarHBondContact NH2-OE1 3.25Å; R6-E10 PolarHBondContact O-N 3.28Å; G7-E10 PolarHBondContact O-N 3.17Å; E10-L13 PolarHBondContact O-N 3.34Å; E10-S14 PolarHBondContact O-N 3.32Å; E10-S14 PolarHBondContact O-OG 3.3Å; E10-L52 HydrophobicContact CG-CD1 4.14Å; E10-L52 HydrophobicContact CG-CD2 4.04Å
11E93.6Very high83.6Confident125 Ų12578.6 Ų78.658%0.58443%0.429SS*.Hα-helixtrans-58.8-52.5172.1-177-179.2-173.500110.6G7 L13 S14 E15G7-E11 VanDerWaalsContact O-CB 3.28Å; G7-E11 WeakPolarHBondContact O-CB 3.5Å; G7-E11 PolarHBondContact O-N 3.31Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.48Å; E11-S14 PolarHBondContact O-N 3.07Å; E11-S14 PolarHBondContact O-OG 3.5Å; E11-E15 WeakPolarHBondContact O-CB 3.34Å; E11-E15 PolarHBondContact O-N 3.39Å
12W95.3Very high85.6Confident3 Ų373.9 Ų73.91%0.01141%0.412CS..Hα-helixtrans-58.7-36.9177.3171.477.4000113.6V8 V9 F16 Y27 L37 L41 V56 Q59 L60 L63 F74V8-W12 WeakPolarHBondContact O-CB 3.43Å; V8-W12 PolarHBondContact O-N 3.3Å; V8-W12 VanDerWaalsContact O-N 3.15Å; V9-W12 HydrophobicContact CG1-CE3 4.41Å; V9-W12 PolarHBondContact O-N 3.21Å; W12-F16 PolarHBondContact O-N 3.12Å; W12-Y27 PolarHBondContact NE1-OH 3.39Å; W12-L37 HydrophobicContact CB-CD1 3.74Å; W12-L37 HydrophobicContact CB-CD2 4.45Å; W12-L37 HydrophobicContact CD2-CD1 3.93Å; W12-L37 HydrophobicContact CD2-CD2 4.3Å; W12-L37 HydrophobicContact CE3-CD1 4.43Å; W12-L37 HydrophobicContact CG-CD1 3.62Å; W12-L37 HydrophobicContact CG-CD2 3.8Å; W12-L37 HydrophobicContact CG-CG 4.36Å; W12-L41 HydrophobicContact CE3-CD2 4.13Å; W12-L41 HydrophobicContact CH2-CD1 4.44Å; W12-L41 HydrophobicContact CH2-CD2 4.24Å; W12-L41 HydrophobicContact CZ2-CD1 4.38Å; W12-L41 HydrophobicContact CZ3-CD2 3.86Å; W12-V56 HydrophobicContact CZ3-CG2 4.11Å; W12-Q59 VanDerWaalsContact CD2-NE2 3.26Å; W12-Q59 HydrophobicContact CH2-CB 3.85Å; W12-Q59 HydrophobicContact CH2-CG 3.62Å; W12-Q59 HydrophobicContact CZ2-CG 3.93Å; W12-Q59 HydrophobicContact CZ3-CB 4.1Å; W12-Q59 HydrophobicContact CZ3-CG 4.06Å; W12-Q59 PolarHBondContact O-NE2 3Å; W12-L60 HydrophobicContact CH2-CD2 4.33Å; W12-L60 HydrophobicContact CH2-CG 4.43Å; W12-L63 HydrophobicContact CZ2-CD1 3.66Å; W12-F74 HydrophobicContact CZ2-CE1 4.11Å
13L95.3Very high87.8Confident11 Ų1172.2 Ų72.26%0.05840%0.4CS..Hα-helixtrans-66.2-38.2173.7-72.8171.2000112V9 E10 E11 K17 L52 P55 Q59V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 HydrophobicContact CG1-CG 4.41Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.16Å; E10-L13 PolarHBondContact O-N 3.34Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.48Å; L13-K17 WeakPolarHBondContact O-CD 3.35Å; L13-K17 WeakPolarHBondContact O-CG 3.49Å; L13-L52 HydrophobicContact CD1-CD2 4.34Å; L13-P55 HydrophobicContact CD1-CB 4.06Å; L13-P55 HydrophobicContact CD1-CG 4.18Å; L13-P55 HydrophobicContact CD2-CB 4.22Å; L13-Q59 HydrophobicContact CD2-CB 3.92Å; L13-Q59 HydrophobicContact CD2-CG 4.45Å; L13-Q59 PolarHBondContact O-OE1 3.2Å
14S93.1Very high89.4Confident69 Ų6970.8 Ų70.848%0.48338%0.378SS..Hα-helixtrans-76.1-36.6-179.372.40000113.3E10 E11 S18E10-S14 PolarHBondContact O-N 3.32Å; E10-S14 PolarHBondContact O-OG 3.3Å; E11-S14 PolarHBondContact O-N 3.07Å; E11-S14 PolarHBondContact O-OG 3.5Å; S14-S18 PolarHBondContact O-N 3.48Å; S14-S18 PolarHBondContact O-OG 3.01Å
15E92.2Very high90.5Very high59 Ų5969.9 Ų69.928%0.27637%0.37SS..Hα-helixtrans-67.9-43.5-178.4-174.4-169.8163.600111.7E11 S18 L19 Y27 K34E11-E15 WeakPolarHBondContact O-CB 3.34Å; E11-E15 PolarHBondContact O-N 3.39Å; E15-S18 PolarHBondContact O-N 3.43Å; E15-S18 PolarHBondContact O-OG 3.42Å; E15-L19 PolarHBondContact O-N 3.33Å; E15-Y27 HydrophobicContact CG-CE2 4.09Å; E15-Y27 WeakPolarHBondContact OE1-CE2 3.43Å; E15-K34 IonicContact OE1-NZ 3.81Å; E15-K34 PolarHBondContact OE1-NZ 3.05Å; E15-K34 IonicContact OE2-NZ 2.77Å; E15-K34 PolarHBondContact OE2-NZ 2.94Å
16F89.8Confident91.4Very high31 Ų3171.2 Ų71.214%0.13639%0.385CS..Hα-helixtrans-71.4-39.8179.2-171.9-106.9000112.2W12 S18 L19 Y27 Q59 E62 L63W12-F16 PolarHBondContact O-N 3.12Å; F16-S18 PolarHBondContact O-N 3.28Å; F16-L19 HydrophobicContact CD2-CD2 4.19Å; F16-L19 HydrophobicContact CE2-CD2 4.37Å; F16-L19 VanDerWaalsContact O-CB 3.32Å; F16-L19 WeakPolarHBondContact O-CB 3.48Å; F16-L19 PolarHBondContact O-N 3.45Å; F16-L19 VanDerWaalsContact O-N 3.1Å; F16-Y27 HydrophobicContact CD2-CD1 4.09Å; F16-Y27 AromaticContact CD2-CE1 3.67Å; F16-Y27 HydrophobicContact CD2-CE1 3.67Å; F16-Y27 AromaticContact CD2-CZ 3.94Å; F16-Y27 HydrophobicContact CE2-CD1 4.45Å; F16-Y27 HydrophobicContact CE2-CE1 4.29Å; F16-Q59 HydrophobicContact CB-CG 4.47Å; F16-Q59 VanDerWaalsContact CB-NE2 3.33Å; F16-Q59 HydrophobicContact CD1-CG 3.81Å; F16-Q59 HydrophobicContact CG-CG 4.37Å; F16-E62 HydrophobicContact CE1-CB 4.02Å; F16-L63 HydrophobicContact CD1-CD2 4.41Å; F16-L63 HydrophobicContact CD2-CD2 3.74Å; F16-L63 HydrophobicContact CE1-CD2 4.07Å; F16-L63 HydrophobicContact CE2-CD2 3.35Å; F16-L63 HydrophobicContact CG-CD2 4.26Å; F16-L63 HydrophobicContact CZ-CD2 3.54Å; F16-L63 HydrophobicContact CZ-CG 4.39Å
17K89.6Confident91.7Very high154 Ų15466.2 Ų66.267%0.6737%0.366SS*.Hα-helixtrans-61.8-23.4177-75177-177.6-178.20114.2L13L13-K17 WeakPolarHBondContact O-CD 3.35Å; L13-K17 WeakPolarHBondContact O-CG 3.49Å
18S89.1Confident91.8Very high93 Ų9365.2 Ų65.265%0.6536%0.355SS*.THydrogen-bonded Turntrans-99.60.6178.352.40000113.6S14 E15 F16 P20S14-S18 PolarHBondContact O-N 3.48Å; S14-S18 PolarHBondContact O-OG 3.01Å; E15-S18 PolarHBondContact O-N 3.43Å; E15-S18 PolarHBondContact O-OG 3.42Å; F16-S18 PolarHBondContact O-N 3.28Å; S18-P20 WeakPolarHBondContact O-CD 3.45Å
19L89.2Confident91.6Very high46 Ų4664.7 Ų64.724%0.24136%0.357CS..  trans-83.5123.2-174.3-165.875000111.8E15 F16 H23 I24 Y27E15-L19 PolarHBondContact O-N 3.33Å; F16-L19 HydrophobicContact CD2-CD2 4.19Å; F16-L19 HydrophobicContact CE2-CD2 4.37Å; F16-L19 VanDerWaalsContact O-CB 3.32Å; F16-L19 WeakPolarHBondContact O-CB 3.48Å; F16-L19 PolarHBondContact O-N 3.45Å; F16-L19 VanDerWaalsContact O-N 3.1Å; L19-H23 HydrophobicContact CD1-CB 3.67Å; L19-H23 HydrophobicContact CG-CB 4.01Å; L19-I24 HydrophobicContact CD2-CG1 4.16Å; L19-Y27 VanDerWaalsContact CD2-CB 3.48Å; L19-Y27 HydrophobicContact CD2-CD1 4.22Å; L19-Y27 HydrophobicContact CD2-CD2 4.04Å; L19-Y27 HydrophobicContact CD2-CG 3.67Å
20P89.7Confident91.3Very high71 Ų7166.3 Ų66.346%0.46137%0.368SS..  trans-68.9150.1171.4-16.430.4000111.8S18 T22 H23S18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-T22 PolarHBondContact O-N 3.19Å; P20-T22 VanDerWaalsContact O-N 3.07Å; P20-H23 PolarHBondContact O-N 3.24Å
21E86.8Confident91.1Very high172 Ų17263.2 Ų63.280%0.80435%0.354SS*.G310 helixtrans-53.4-35.1-178-66.1-175.8171.100113.6H23 I24E21-H23 PolarHBondContact O-N 3.28Å; E21-I24 HydrophobicContact CB-CD1 4.27Å; E21-I24 HydrophobicContact CG-CD1 4.37Å; E21-I24 WeakPolarHBondContact O-CB 3.27Å; E21-I24 WeakPolarHBondContact O-CG1 3.28Å; E21-I24 PolarHBondContact O-N 3.41Å
22T89.2Confident90.7Very high116 Ų11663.9 Ų63.971%0.71236%0.357SS*.G310 helixtrans-60.7-24.1177.353.20000114.1P20P20-T22 PolarHBondContact O-N 3.19Å; P20-T22 VanDerWaalsContact O-N 3.07Å
23H91.2Very high90.3Very high101 Ų10169.4 Ų69.447%0.46839%0.386SS..G310 helixtrans-97.6-6-178.6-68.2-83000113.7L19 P20 E21 S26 Y27L19-H23 HydrophobicContact CD1-CB 3.67Å; L19-H23 HydrophobicContact CG-CB 4.01Å; P20-H23 PolarHBondContact O-N 3.24Å; E21-H23 PolarHBondContact O-N 3.28Å; H23-S26 WeakPolarHBondContact O-CB 3.38Å; H23-S26 PolarHBondContact O-N 2.96Å; H23-S26 VanDerWaalsContact O-N 3.07Å; H23-Y27 PolarHBondContact O-N 3.38Å
24I91.5Very high90Very high34 Ų3471.4 Ų71.417%0.17439%0.394CS..Hα-helixtrans-52.3-46.3179.5-67.5175.6000112.7L19 E21 S26 Y27 A28 L71L19-I24 HydrophobicContact CD2-CG1 4.16Å; E21-I24 HydrophobicContact CB-CD1 4.27Å; E21-I24 HydrophobicContact CG-CD1 4.37Å; E21-I24 WeakPolarHBondContact O-CB 3.27Å; E21-I24 WeakPolarHBondContact O-CG1 3.28Å; E21-I24 PolarHBondContact O-N 3.41Å; I24-S26 VanDerWaalsContact C-N 3.32Å; I24-S26 PolarHBondContact O-N 3.08Å; I24-Y27 PolarHBondContact O-N 3.34Å; I24-A28 WeakPolarHBondContact O-CB 3.37Å; I24-A28 PolarHBondContact O-N 3.47Å; I24-L71 HydrophobicContact CG2-CD1 3.56Å
25P92.1Very high89.8Confident71 Ų7176.7 Ų76.746%0.46141%0.409SS..Hα-helixtrans-65.9-33.5179.3-22.134.7000113.2G29P25-G29 PolarHBondContact O-N 3.06Å
26S92Very high89.8Confident88 Ų8877.2 Ų77.262%0.61542%0.418SS*.Hα-helixtrans-69.2-43176.8-171.40000111.2H23 I24 G29 S30H23-S26 WeakPolarHBondContact O-CB 3.38Å; H23-S26 PolarHBondContact O-N 2.96Å; H23-S26 VanDerWaalsContact O-N 3.07Å; I24-S26 VanDerWaalsContact C-N 3.32Å; I24-S26 PolarHBondContact O-N 3.08Å; S26-G29 CarbonylContact O-C 3.45Å; S26-G29 WeakPolarHBondContact O-CA 3.47Å; S26-G29 PolarHBondContact O-N 3.36Å; S26-G29 VanDerWaalsContact O-N 3.12Å; S26-S30 PolarHBondContact O-N 2.77Å
27Y92.9Very high90.1Very high6 Ų675.8 Ų75.82%0.02441%0.412CS..Hα-helixtrans-63.6-43.5174.4176.7-91.3000112.3W12 E15 F16 L19 H23 I24 G29 S30 L31 L63 L71W12-Y27 PolarHBondContact NE1-OH 3.39Å; E15-Y27 HydrophobicContact CG-CE2 4.09Å; E15-Y27 WeakPolarHBondContact OE1-CE2 3.43Å; F16-Y27 HydrophobicContact CD2-CD1 4.09Å; F16-Y27 AromaticContact CD2-CE1 3.67Å; F16-Y27 HydrophobicContact CD2-CE1 3.67Å; F16-Y27 AromaticContact CD2-CZ 3.94Å; F16-Y27 HydrophobicContact CE2-CD1 4.45Å; F16-Y27 HydrophobicContact CE2-CE1 4.29Å; L19-Y27 VanDerWaalsContact CD2-CB 3.48Å; L19-Y27 HydrophobicContact CD2-CD1 4.22Å; L19-Y27 HydrophobicContact CD2-CD2 4.04Å; L19-Y27 HydrophobicContact CD2-CG 3.67Å; H23-Y27 PolarHBondContact O-N 3.38Å; I24-Y27 PolarHBondContact O-N 3.34Å; Y27-G29 PolarHBondContact O-N 2.86Å; Y27-S30 PolarHBondContact O-N 3.05Å; Y27-S30 PolarHBondContact O-OG 3.16Å; Y27-S30 VanDerWaalsContact O-OG 3.09Å; Y27-L31 HydrophobicContact CD1-CD1 4.27Å; Y27-L31 HydrophobicContact CD1-CG 4.23Å; Y27-L31 HydrophobicContact CE1-CD1 3.87Å; Y27-L31 HydrophobicContact CE1-CD2 3.85Å; Y27-L31 HydrophobicContact CE1-CG 3.85Å; Y27-L31 PolarHBondContact O-N 2.95Å; Y27-L63 HydrophobicContact CE1-CD2 4.11Å; Y27-L71 HydrophobicContact CD1-CD2 4.44Å
28A91.9Very high90.4Very high9 Ų969.8 Ų69.87%0.07439%0.389CS..Hα-helixtrans-59.8-32.6172.100000112.3I24 E68 R70 L71I24-A28 WeakPolarHBondContact O-CB 3.37Å; I24-A28 PolarHBondContact O-N 3.47Å; A28-E68 HydrophobicContact CB-CG 3.55Å; A28-R70 HydrophobicContact CB-CB 4.1Å; A28-L71 HydrophobicContact CB-CD1 4.2Å; A28-L71 HydrophobicContact CB-CD2 3.47Å; A28-L71 VanDerWaalsContact CB-CD2 3.47Å; A28-L71 HydrophobicContact CB-CG 3.64Å
29G89.3Confident90.7Very high22 Ų2268.9 Ų68.923%0.22738%0.381CS..Hα-helixtrans-66.4-33169.300000114.4P25 S26 Y27 H32P25-G29 PolarHBondContact O-N 3.06Å; S26-G29 CarbonylContact O-C 3.45Å; S26-G29 WeakPolarHBondContact O-CA 3.47Å; S26-G29 PolarHBondContact O-N 3.36Å; S26-G29 VanDerWaalsContact O-N 3.12Å; Y27-G29 PolarHBondContact O-N 2.86Å; G29-H32 PolarHBondContact O-CE1 3.48Å; G29-H32 PolarHBondContact O-ND1 3.15Å
30S90.4Very high91Very high35 Ų3567 Ų6725%0.24537%0.371CS..Hα-helixtrans-93.9-19.2-173.872.50000115.1S26 Y27 H32 L33S26-S30 PolarHBondContact O-N 2.77Å; Y27-S30 PolarHBondContact O-N 3.05Å; Y27-S30 PolarHBondContact O-OG 3.16Å; Y27-S30 VanDerWaalsContact O-OG 3.09Å; S30-H32 PolarHBondContact O-N 3.35Å; S30-H32 VanDerWaalsContact O-N 3.1Å; S30-L33 VanDerWaalsContact O-CB 3.27Å; S30-L33 WeakPolarHBondContact O-CB 3.39Å; S30-L33 WeakPolarHBondContact O-CG 3.44Å; S30-L33 PolarHBondContact O-N 3.07Å
31L88.8Confident91.3Very high11 Ų1163.6 Ų63.66%0.05835%0.349CS..G310 helixtrans-50.3-39.4-177.5-85172.9000114.4Y27 L33 K34 L37 L71 F74Y27-L31 HydrophobicContact CD1-CD1 4.27Å; Y27-L31 HydrophobicContact CD1-CG 4.23Å; Y27-L31 HydrophobicContact CE1-CD1 3.87Å; Y27-L31 HydrophobicContact CE1-CD2 3.85Å; Y27-L31 HydrophobicContact CE1-CG 3.85Å; Y27-L31 PolarHBondContact O-N 2.95Å; L31-L33 PolarHBondContact O-N 3.13Å; L31-L33 VanDerWaalsContact O-N 3.15Å; L31-K34 PolarHBondContact O-N 2.79Å; L31-L37 HydrophobicContact CD2-CD2 4.05Å; L31-L71 HydrophobicContact CD1-CD2 3.38Å; L31-F74 HydrophobicContact CB-CD2 4.49Å; L31-F74 HydrophobicContact CD1-CD1 4.36Å; L31-F74 HydrophobicContact CD1-CD2 4.1Å; L31-F74 HydrophobicContact CD1-CE2 4.42Å; L31-F74 HydrophobicContact CD1-CG 4.07Å; L31-F74 HydrophobicContact CD2-CE2 4.39Å; L31-F74 HydrophobicContact CD2-CZ 4.38Å
32H85.4Confident91.8Very high140 Ų14056.2 Ų56.265%0.64831%0.314SS*.G310 helixtrans-64-17.7-179.476.9-82.1000114.2G29 S30 K34G29-H32 PolarHBondContact O-CE1 3.48Å; G29-H32 PolarHBondContact O-ND1 3.15Å; S30-H32 PolarHBondContact O-N 3.35Å; S30-H32 VanDerWaalsContact O-N 3.1Å; H32-K34 VanDerWaalsContact C-N 3.32Å
33L87.1Confident92.1Very high119 Ų11957.1 Ų57.162%0.62330%0.304SS*.G310 helixtrans-74.7-23.7175.9-58172.8000111.9S30 L31 K35S30-L33 VanDerWaalsContact O-CB 3.27Å; S30-L33 WeakPolarHBondContact O-CB 3.39Å; S30-L33 WeakPolarHBondContact O-CG 3.44Å; S30-L33 PolarHBondContact O-N 3.07Å; L31-L33 PolarHBondContact O-N 3.13Å; L31-L33 VanDerWaalsContact O-N 3.15Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 3.03Å
34K89.2Confident92.3Very high53 Ų5352.7 Ų52.723%0.2328%0.284CS..  trans-8365.7-176.8-60.7178.1-174.4166.90111.2E15 L31 H32 S36 L37E15-K34 IonicContact OE1-NZ 3.81Å; E15-K34 PolarHBondContact OE1-NZ 3.05Å; E15-K34 IonicContact OE2-NZ 2.77Å; E15-K34 PolarHBondContact OE2-NZ 2.94Å; L31-K34 PolarHBondContact O-N 2.79Å; H32-K34 VanDerWaalsContact C-N 3.32Å; K34-S36 PolarHBondContact O-N 3.05Å; K34-S36 VanDerWaalsContact O-N 3.08Å; K34-L37 HydrophobicContact CB-CB 3.92Å; K34-L37 HydrophobicContact CB-CD2 4.34Å; K34-L37 HydrophobicContact CD-CD2 4.38Å; K34-L37 VanDerWaalsContact O-CB 3.27Å; K34-L37 WeakPolarHBondContact O-CB 3.27Å; K34-L37 PolarHBondContact O-N 3.09Å
35K88.4Confident92.5Very high180 Ų18051 Ų5178%0.78328%0.276SS*.THydrogen-bonded Turntrans-56.1-27.9-173.7-63.8-177-178.7-179.40114.7L33 P39L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 3.03Å; K35-P39 VanDerWaalsContact O-CD 3.3Å; K35-P39 WeakPolarHBondContact O-CD 3.3Å
36S93.2Very high92.5Very high69 Ų6950.8 Ų50.848%0.48327%0.269SS..THydrogen-bonded Turntrans-77.5-22.1176.546.50000114.2K34 A40K34-S36 PolarHBondContact O-N 3.05Å; K34-S36 VanDerWaalsContact O-N 3.08Å; S36-A40 WeakPolarHBondContact O-CB 3.46Å; S36-A40 PolarHBondContact O-N 3.12Å
37L94.9Very high92.4Very high1 Ų149.9 Ų49.91%0.00526%0.257CS..Hα-helixtrans-68.6-50.1-173177.364.5000112.2V8 W12 L31 K34 A40 L41 F74V8-L37 HydrophobicContact CG1-CB 4.29Å; V8-L37 HydrophobicContact CG1-CD1 4.29Å; W12-L37 HydrophobicContact CB-CD1 3.74Å; W12-L37 HydrophobicContact CB-CD2 4.45Å; W12-L37 HydrophobicContact CD2-CD1 3.93Å; W12-L37 HydrophobicContact CD2-CD2 4.3Å; W12-L37 HydrophobicContact CE3-CD1 4.43Å; W12-L37 HydrophobicContact CG-CD1 3.62Å; W12-L37 HydrophobicContact CG-CD2 3.8Å; W12-L37 HydrophobicContact CG-CG 4.36Å; L31-L37 HydrophobicContact CD2-CD2 4.05Å; K34-L37 HydrophobicContact CB-CB 3.92Å; K34-L37 HydrophobicContact CB-CD2 4.34Å; K34-L37 HydrophobicContact CD-CD2 4.38Å; K34-L37 VanDerWaalsContact O-CB 3.27Å; K34-L37 WeakPolarHBondContact O-CB 3.27Å; K34-L37 PolarHBondContact O-N 3.09Å; L37-A40 PolarHBondContact O-N 3.15Å; L37-A40 VanDerWaalsContact O-N 3.1Å; L37-L41 HydrophobicContact CD1-CD1 3.91Å; L37-L41 HydrophobicContact CD1-CD2 4.29Å; L37-L41 HydrophobicContact CD1-CG 3.88Å; L37-L41 HydrophobicContact CD2-CD1 4.38Å; L37-L41 HydrophobicContact CG-CD1 3.8Å; L37-L41 HydrophobicContact CG-CG 4.18Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 3.28Å; L37-F74 HydrophobicContact CD2-CZ 3.96Å
38V95.3Very high92Very high29 Ų2951 Ų5118%0.17627%0.265CS..Hα-helixtrans-59.8-46.5-176.2173.30000112.1A40 L41 Y42 F74 F78V38-A40 VanDerWaalsContact C-N 3.35Å; V38-A40 PolarHBondContact O-N 2.95Å; V38-L41 PolarHBondContact O-N 3.1Å; V38-Y42 HydrophobicContact CG1-CD2 3.89Å; V38-Y42 HydrophobicContact CG1-CE2 3.61Å; V38-Y42 VanDerWaalsContact O-CD2 3.26Å; V38-Y42 WeakPolarHBondContact O-CD2 3.32Å; V38-Y42 PolarHBondContact O-N 3.19Å; V38-F74 HydrophobicContact CG2-CE2 3.96Å; V38-F78 HydrophobicContact CB-CZ 4.48Å; V38-F78 HydrophobicContact CG1-CE1 4.02Å; V38-F78 HydrophobicContact CG1-CZ 4.15Å; V38-F78 HydrophobicContact CG2-CZ 4.31Å
39P95.4Very high91.8Very high74 Ų7456.8 Ų56.848%0.48130%0.295SS..Hα-helixtrans-59.7-39.1172.1-25.735.3000114.2K35 Y42 R43K35-P39 VanDerWaalsContact O-CD 3.3Å; K35-P39 WeakPolarHBondContact O-CD 3.3Å; P39-Y42 PolarHBondContact O-N 2.85Å; P39-R43 WeakPolarHBondContact O-CG 3.42Å; P39-R43 PolarHBondContact O-N 3.32Å
40A95.9Very high91.9Very high5 Ų558 Ų584%0.04130%0.296CS..Hα-helixtrans-68-38.3177.900000112.1E5 V9 S36 L37 V38 R43 V44E5-A40 HydrophobicContact CB-CB 4.44Å; V9-A40 HydrophobicContact CG2-CB 3.72Å; S36-A40 WeakPolarHBondContact O-CB 3.46Å; S36-A40 PolarHBondContact O-N 3.12Å; L37-A40 PolarHBondContact O-N 3.15Å; L37-A40 VanDerWaalsContact O-N 3.1Å; V38-A40 VanDerWaalsContact C-N 3.35Å; V38-A40 PolarHBondContact O-N 2.95Å; A40-R43 WeakPolarHBondContact O-CB 3.44Å; A40-R43 PolarHBondContact O-N 2.94Å; A40-V44 WeakPolarHBondContact O-CG2 3.4Å; A40-V44 PolarHBondContact O-N 3.35Å
41L96.8Very high91.9Very high0 Ų063 Ų630%032%0.316CS..Hα-helixtrans-65.7-41.3174.3-68.5176.2000112V9 W12 L37 V38 R43 V44 I45 V56 F74 F78V9-L41 HydrophobicContact CG1-CD2 4.18Å; V9-L41 HydrophobicContact CG2-CD2 4.35Å; W12-L41 HydrophobicContact CE3-CD2 4.13Å; W12-L41 HydrophobicContact CH2-CD1 4.44Å; W12-L41 HydrophobicContact CH2-CD2 4.24Å; W12-L41 HydrophobicContact CZ2-CD1 4.38Å; W12-L41 HydrophobicContact CZ3-CD2 3.86Å; L37-L41 HydrophobicContact CD1-CD1 3.91Å; L37-L41 HydrophobicContact CD1-CD2 4.29Å; L37-L41 HydrophobicContact CD1-CG 3.88Å; L37-L41 HydrophobicContact CD2-CD1 4.38Å; L37-L41 HydrophobicContact CG-CD1 3.8Å; L37-L41 HydrophobicContact CG-CG 4.18Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 3.28Å; V38-L41 PolarHBondContact O-N 3.1Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 2.57Å; L41-V44 PolarHBondContact O-N 2.69Å; L41-I45 VanDerWaalsContact O-CG1 3.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.25Å; L41-I45 PolarHBondContact O-N 3.38Å; L41-V56 HydrophobicContact CD2-CG1 3.79Å; L41-V56 HydrophobicContact CD2-CG2 3.89Å; L41-F74 HydrophobicContact CD1-CE1 4.05Å; L41-F74 HydrophobicContact CD1-CZ 3.78Å; L41-F78 HydrophobicContact CB-CE1 3.74Å; L41-F78 HydrophobicContact CB-CZ 3.73Å; L41-F78 HydrophobicContact CD1-CE1 4.48Å; L41-F78 HydrophobicContact CD1-CE2 3.92Å; L41-F78 HydrophobicContact CD1-CZ 3.61Å; L41-F78 HydrophobicContact CG-CZ 4.33Å
42Y96.8Very high92.2Very high18 Ų1863.2 Ų63.27%0.07132%0.317CS..Hα-helixtrans-60.3-40.9171.6-81.5-68.5000112.1V38 P39 I45 Q46 Q77 F78 E81 S199 A202V38-Y42 HydrophobicContact CG1-CD2 3.89Å; V38-Y42 HydrophobicContact CG1-CE2 3.61Å; V38-Y42 VanDerWaalsContact O-CD2 3.26Å; V38-Y42 WeakPolarHBondContact O-CD2 3.32Å; V38-Y42 PolarHBondContact O-N 3.19Å; P39-Y42 PolarHBondContact O-N 2.85Å; Y42-I45 PolarHBondContact O-N 3.48Å; Y42-Q46 WeakPolarHBondContact O-CB 3.41Å; Y42-Q46 WeakPolarHBondContact O-CG 3.49Å; Y42-Q46 PolarHBondContact O-N 3.32Å; Y42-Q77 PolarHBondContact OH-O 3.19Å; Y42-F78 AromaticContact CD1-CD1 3.98Å; Y42-F78 HydrophobicContact CD1-CD1 3.98Å; Y42-F78 HydrophobicContact CD1-CE1 4.45Å; Y42-F78 HydrophobicContact CD2-CD1 4.15Å; Y42-F78 AromaticContact CD2-CE1 3.82Å; Y42-F78 HydrophobicContact CD2-CE1 3.82Å; Y42-F78 AromaticContact CE1-CD1 3.74Å; Y42-F78 HydrophobicContact CE1-CD1 3.74Å; Y42-F78 HydrophobicContact CE1-CE1 4.38Å; Y42-F78 AromaticContact CE2-CD1 3.93Å; Y42-F78 HydrophobicContact CE2-CD1 3.93Å; Y42-F78 AromaticContact CE2-CE1 3.74Å; Y42-F78 HydrophobicContact CE2-CE1 3.74Å; Y42-F78 HydrophobicContact CG-CD1 4.16Å; Y42-F78 HydrophobicContact CG-CE1 4.18Å; Y42-F78 AromaticContact CZ-CD1 3.71Å; Y42-E81 HydrophobicContact CD1-CB 4.07Å; Y42-E81 HydrophobicContact CD1-CG 4.2Å; Y42-E81 HydrophobicContact CE1-CB 4.06Å; Y42-S199 WeakPolarHBondContact OH-CA 3.37Å; Y42-A202 HydrophobicContact CE1-CB 3.97Å
43R95.3Very high92.6Very high134 Ų13456.8 Ų56.851%0.50629%0.287SS..Hα-helixtrans-59.9-44.5175-76.1-85.3-175.4783.5112.2E5 P39 A40 L41 D47E5-R43 IonicContact OE1-CZ 2.7Å; E5-R43 IonicContact OE1-NH1 3.47Å; E5-R43 PolarHBondContact OE1-NH1 3.46Å; E5-R43 IonicContact OE2-CZ 2.84Å; E5-R43 IonicContact OE2-NH1 3.75Å; E5-R43 PolarHBondContact OE2-NH1 3.32Å; P39-R43 WeakPolarHBondContact O-CG 3.42Å; P39-R43 PolarHBondContact O-N 3.32Å; A40-R43 WeakPolarHBondContact O-CB 3.44Å; A40-R43 PolarHBondContact O-N 2.94Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 2.57Å; R43-D47 PolarHBondContact O-N 3.31Å
44V95.4Very high93Very high8 Ų856.8 Ų56.85%0.04828%0.284CS..Hα-helixtrans-64.6-44.1177.1172.60000111.2V9 A40 L41 Q46 D47 N50 L52 L53 V56V9-V44 HydrophobicContact CG2-CG2 4.39Å; A40-V44 WeakPolarHBondContact O-CG2 3.4Å; A40-V44 PolarHBondContact O-N 3.35Å; L41-V44 PolarHBondContact O-N 2.69Å; V44-Q46 PolarHBondContact O-N 3.34Å; V44-D47 PolarHBondContact O-N 2.89Å; V44-N50 HydrophobicContact CG1-CB 4.43Å; V44-L52 HydrophobicContact CG1-CB 4.1Å; V44-L52 HydrophobicContact CG2-CB 4.33Å; V44-L53 HydrophobicContact CG1-CB 4.23Å; V44-L53 HydrophobicContact CG1-CD1 4.4Å; V44-V56 HydrophobicContact CG1-CB 4.35Å; V44-V56 HydrophobicContact CG1-CG2 4.11Å
45I95.5Very high93.3Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-66.3-37-179.7-68.5167.6000112.1L41 Y42 D47 L53 L60 F78 E81 L82 V85L41-I45 VanDerWaalsContact O-CG1 3.32Å; L41-I45 WeakPolarHBondContact O-CG1 3.25Å; L41-I45 PolarHBondContact O-N 3.38Å; Y42-I45 PolarHBondContact O-N 3.48Å; I45-D47 VanDerWaalsContact C-N 3.31Å; I45-D47 PolarHBondContact O-N 2.93Å; I45-L53 HydrophobicContact CG1-CD1 4.44Å; I45-L60 HydrophobicContact CD1-CD1 4.23Å; I45-F78 HydrophobicContact CD1-CB 3.81Å; I45-F78 HydrophobicContact CD1-CD1 3.97Å; I45-F78 HydrophobicContact CD1-CG 3.94Å; I45-E81 HydrophobicContact CG2-CB 4.25Å; I45-E81 HydrophobicContact CG2-CG 4.02Å; I45-L82 HydrophobicContact CD1-CD2 4.2Å; I45-L82 HydrophobicContact CD1-CG 4.38Å; I45-L82 HydrophobicContact CG1-CD2 4.23Å; I45-L82 HydrophobicContact CG2-CD2 3.82Å; I45-L82 HydrophobicContact CG2-CG 4.19Å; I45-V85 HydrophobicContact CG2-CG2 4.46Å; I45-V85 WeakPolarHBondContact O-CG2 3.4Å
46Q92.7Very high93.7Very high65 Ų6547.5 Ų47.530%0.30425%0.247SC..Hα-helixtrans-69.3-26-177.6-76.8169-300113.9Y42 V44 P48 E81 R88Y42-Q46 WeakPolarHBondContact O-CB 3.41Å; Y42-Q46 WeakPolarHBondContact O-CG 3.49Å; Y42-Q46 PolarHBondContact O-N 3.32Å; V44-Q46 PolarHBondContact O-N 3.34Å; Q46-P48 WeakPolarHBondContact O-CD 3.32Å; Q46-E81 HydrophobicContact CG-CG 3.76Å; Q46-E81 VanDerWaalsContact NE2-CD 3.29Å; Q46-E81 PolarHBondContact NE2-OE2 3.01Å; Q46-R88 PolarHBondContact O-NH2 3.15Å
47D90.6Very high93.9Very high69 Ų6944.3 Ų44.337%0.36923%0.225SC..  trans-102.3102.4179.1-179.812.7000111.6R43 V44 I45 N49 N50R43-D47 PolarHBondContact O-N 3.31Å; V44-D47 PolarHBondContact O-N 2.89Å; I45-D47 VanDerWaalsContact C-N 3.31Å; I45-D47 PolarHBondContact O-N 2.93Å; D47-N49 PolarHBondContact O-N 2.91Å; D47-N49 VanDerWaalsContact O-N 3.16Å; D47-N49 PolarHBondContact OD1-N 2.73Å; D47-N49 VanDerWaalsContact OD1-N 3.14Å; D47-N50 HydrophobicContact CB-CB 4.2Å; D47-N50 VanDerWaalsContact O-CB 3.24Å; D47-N50 WeakPolarHBondContact O-CB 3.2Å; D47-N50 PolarHBondContact O-N 3.02Å
48P84.6Confident93.9Very high30 Ų3049.3 Ų49.320%0.19525%0.248CC..THydrogen-bonded Turntrans-69.9-11-176.631.2-36.1000113.9Q46 I89Q46-P48 WeakPolarHBondContact O-CD 3.32Å; P48-I89 HydrophobicContact CB-CD1 3.84Å
49N86.8Confident94Very high130 Ų13048.4 Ų48.470%0.69524%0.242SC*.THydrogen-bonded Turntrans-94.85.6177.6-54.9-66.9000112.5D47 E51D47-N49 PolarHBondContact O-N 2.91Å; D47-N49 VanDerWaalsContact O-N 3.16Å; D47-N49 PolarHBondContact OD1-N 2.73Å; D47-N49 VanDerWaalsContact OD1-N 3.14Å; N49-E51 PolarHBondContact O-N 3.49Å
50N90.7Very high94.1Very high48 Ų4844.9 Ų44.926%0.25722%0.219SC..  trans-76.1123.9-174.7-164.9-52.9000111.7V44 D47 L52 L53V44-N50 HydrophobicContact CG1-CB 4.43Å; D47-N50 HydrophobicContact CB-CB 4.2Å; D47-N50 VanDerWaalsContact O-CB 3.24Å; D47-N50 WeakPolarHBondContact O-CB 3.2Å; D47-N50 PolarHBondContact O-N 3.02Å; N50-L52 PolarHBondContact O-N 3.01Å; N50-L52 WeakPolarHBondContact OD1-CB 3.2Å; N50-L52 PolarHBondContact OD1-N 3.1Å; N50-L53 HydrophobicContact CB-CB 4.47Å; N50-L53 VanDerWaalsContact O-CB 3.26Å; N50-L53 WeakPolarHBondContact O-CB 3.37Å; N50-L53 PolarHBondContact O-N 3.43Å
51E91.7Very high94.2Very high140 Ų14046.9 Ų46.965%0.65423%0.227SC*.THydrogen-bonded Turntrans-52.1-29.4177.4-62174170.500113.6R6 N49R6-E51 IonicContact CZ-OE2 2.69Å; R6-E51 VanDerWaalsContact CZ-OE2 3.27Å; R6-E51 IonicContact NH1-OE2 2.68Å; R6-E51 PolarHBondContact NH1-OE2 3.36Å; R6-E51 IonicContact NH2-OE2 2.57Å; R6-E51 PolarHBondContact NH2-OE2 3.12Å; N49-E51 PolarHBondContact O-N 3.49Å
52L93.9Very high94.1Very high16 Ų1651.1 Ų51.18%0.08425%0.247CC..THydrogen-bonded Turntrans-86.9-6.2-179.1-61.5-176.9000113.9R6 V9 E10 L13 V44 N50 E54 P55 V56R6-L52 HydrophobicContact CG-CD1 4.01Å; V9-L52 HydrophobicContact CB-CD1 4.01Å; V9-L52 HydrophobicContact CG1-CD1 3.94Å; E10-L52 HydrophobicContact CG-CD1 4.14Å; E10-L52 HydrophobicContact CG-CD2 4.04Å; L13-L52 HydrophobicContact CD1-CD2 4.34Å; V44-L52 HydrophobicContact CG1-CB 4.1Å; V44-L52 HydrophobicContact CG2-CB 4.33Å; N50-L52 PolarHBondContact O-N 3.01Å; N50-L52 WeakPolarHBondContact OD1-CB 3.2Å; N50-L52 PolarHBondContact OD1-N 3.1Å; L52-E54 PolarHBondContact O-N 3.31Å; L52-P55 VanDerWaalsContact O-CD 3.32Å; L52-P55 WeakPolarHBondContact O-CD 3.48Å; L52-P55 WeakPolarHBondContact O-CG 3.21Å; L52-V56 VanDerWaalsContact O-CB 3.25Å; L52-V56 WeakPolarHBondContact O-CB 3.04Å; L52-V56 WeakPolarHBondContact O-CG2 3.08Å; L52-V56 PolarHBondContact O-N 3.39Å
53L94.3Very high94Very high4 Ų450.3 Ų50.32%0.02124%0.244CC..Hα-helixtrans-61.9-47.7-175.9-179.859.5000112.1V44 I45 N50 V56 C57 I101V44-L53 HydrophobicContact CG1-CB 4.23Å; V44-L53 HydrophobicContact CG1-CD1 4.4Å; I45-L53 HydrophobicContact CG1-CD1 4.44Å; N50-L53 HydrophobicContact CB-CB 4.47Å; N50-L53 VanDerWaalsContact O-CB 3.26Å; N50-L53 WeakPolarHBondContact O-CB 3.37Å; N50-L53 PolarHBondContact O-N 3.43Å; L53-V56 PolarHBondContact O-N 3.15Å; L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.06Å; L53-C57 PolarHBondContact O-SG 2.75Å; L53-C57 VanDerWaalsContact O-SG 3.39Å; L53-I101 HydrophobicContact CD1-CD1 4.4Å; L53-I101 HydrophobicContact CD1-CG1 4.44Å; L53-I101 HydrophobicContact CD2-CD1 4.19Å
54E94.8Very high94Very high119 Ų11944 Ų4456%0.55622%0.22SC*.Hα-helixtrans-60.8-52.7178.8-178.2176.7-174.900113.5L52 V56 C57 H58 C100L52-E54 PolarHBondContact O-N 3.31Å; E54-V56 VanDerWaalsContact C-N 3.3Å; E54-V56 PolarHBondContact O-N 2.99Å; E54-C57 PolarHBondContact O-N 2.68Å; E54-H58 PolarHBondContact O-N 3.28Å; E54-H58 PolarHBondContact O-ND1 2.85Å; E54-H58 IonicContact OE1-CE1 3.28Å; E54-C100 HydrophobicContact CB-CB 4.25Å; E54-C100 HydrophobicContact CG-CB 4.22Å
55P96Very high94Very high38 Ų3850.9 Ų50.925%0.24725%0.245CC..Hα-helixtrans-66.5-30.1177.724.5-33.8000113L13 L52 Q59L13-P55 HydrophobicContact CD1-CB 4.06Å; L13-P55 HydrophobicContact CD1-CG 4.18Å; L13-P55 HydrophobicContact CD2-CB 4.22Å; L52-P55 VanDerWaalsContact O-CD 3.32Å; L52-P55 WeakPolarHBondContact O-CD 3.48Å; L52-P55 WeakPolarHBondContact O-CG 3.21Å; P55-Q59 WeakPolarHBondContact O-CB 3.32Å; P55-Q59 PolarHBondContact O-N 3.37Å
56V96.9Very high93.7Very high0 Ų051.8 Ų51.80%025%0.251CS..Hα-helixtrans-64.7-47.2171.4165.50000110.9V9 W12 L41 V44 L52 L53 E54 H58 Q59 L60V9-V56 HydrophobicContact CG1-CG2 3.57Å; W12-V56 HydrophobicContact CZ3-CG2 4.11Å; L41-V56 HydrophobicContact CD2-CG1 3.79Å; L41-V56 HydrophobicContact CD2-CG2 3.89Å; V44-V56 HydrophobicContact CG1-CB 4.35Å; V44-V56 HydrophobicContact CG1-CG2 4.11Å; L52-V56 VanDerWaalsContact O-CB 3.25Å; L52-V56 WeakPolarHBondContact O-CB 3.04Å; L52-V56 WeakPolarHBondContact O-CG2 3.08Å; L52-V56 PolarHBondContact O-N 3.39Å; L53-V56 PolarHBondContact O-N 3.15Å; E54-V56 VanDerWaalsContact C-N 3.3Å; E54-V56 PolarHBondContact O-N 2.99Å; V56-H58 PolarHBondContact O-N 2.84Å; V56-Q59 PolarHBondContact O-N 3.07Å; V56-L60 HydrophobicContact CG1-CD1 3.81Å; V56-L60 HydrophobicContact CG1-CG 4.21Å; V56-L60 WeakPolarHBondContact O-CB 3.17Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 2.97Å
57C96.8Very high93.3Very high3 Ų354.4 Ų54.42%0.0228%0.277CS..Hα-helixtrans-59.7-44.6177.2-76.80000112.1L53 E54 L60 F61 C100 L104L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.06Å; L53-C57 PolarHBondContact O-SG 2.75Å; L53-C57 VanDerWaalsContact O-SG 3.39Å; E54-C57 PolarHBondContact O-N 2.68Å; C57-L60 PolarHBondContact O-N 3.19Å; C57-F61 PolarHBondContact O-N 3.07Å; C57-C100 HydrophobicContact CB-CB 4.16Å; C57-L104 HydrophobicContact CB-CB 4.32Å; C57-L104 HydrophobicContact CB-CD2 4.15Å
58H96.3Very high93.4Very high106 Ų10653.2 Ų53.249%0.49127%0.269SS..Hα-helixtrans-60.7-46.1174.9-75.394.2000112.3E54 V56 L60 F61 E62E54-H58 PolarHBondContact O-N 3.28Å; E54-H58 PolarHBondContact O-ND1 2.85Å; E54-H58 IonicContact OE1-CE1 3.28Å; V56-H58 PolarHBondContact O-N 2.84Å; H58-L60 PolarHBondContact O-N 2.9Å; H58-F61 WeakPolarHBondContact O-CB 3.26Å; H58-F61 PolarHBondContact O-N 2.81Å; H58-E62 PolarHBondContact O-N 2.68Å
59Q96.8Very high93.8Very high9 Ų955.7 Ų55.74%0.04228%0.281CS..Hα-helixtrans-68.1-36.5179.4-174.2155.2-52.600112.6W12 L13 F16 P55 V56 F61 E62 L63W12-Q59 VanDerWaalsContact CD2-NE2 3.26Å; W12-Q59 HydrophobicContact CH2-CB 3.85Å; W12-Q59 HydrophobicContact CH2-CG 3.62Å; W12-Q59 HydrophobicContact CZ2-CG 3.93Å; W12-Q59 HydrophobicContact CZ3-CB 4.1Å; W12-Q59 HydrophobicContact CZ3-CG 4.06Å; W12-Q59 PolarHBondContact O-NE2 3Å; L13-Q59 HydrophobicContact CD2-CB 3.92Å; L13-Q59 HydrophobicContact CD2-CG 4.45Å; L13-Q59 PolarHBondContact O-OE1 3.2Å; F16-Q59 HydrophobicContact CB-CG 4.47Å; F16-Q59 VanDerWaalsContact CB-NE2 3.33Å; F16-Q59 HydrophobicContact CD1-CG 3.81Å; F16-Q59 HydrophobicContact CG-CG 4.37Å; P55-Q59 WeakPolarHBondContact O-CB 3.32Å; P55-Q59 PolarHBondContact O-N 3.37Å; V56-Q59 PolarHBondContact O-N 3.07Å; Q59-F61 VanDerWaalsContact C-N 3.28Å; Q59-F61 PolarHBondContact O-N 3.02Å; Q59-E62 PolarHBondContact O-N 2.88Å; Q59-L63 VanDerWaalsContact O-CG 3.31Å; Q59-L63 WeakPolarHBondContact O-CG 3.4Å; Q59-L63 PolarHBondContact O-N 3.1Å
60L97.4Very high94.1Very high0 Ų056.6 Ų56.60%027%0.274CS..Hα-helixtrans-61.8-35.9172.6-74.2175.8000112.1W12 I45 V56 C57 H58 Y64 F74 T75 F78 L104W12-L60 HydrophobicContact CH2-CD2 4.33Å; W12-L60 HydrophobicContact CH2-CG 4.43Å; I45-L60 HydrophobicContact CD1-CD1 4.23Å; V56-L60 HydrophobicContact CG1-CD1 3.81Å; V56-L60 HydrophobicContact CG1-CG 4.21Å; V56-L60 WeakPolarHBondContact O-CB 3.17Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 2.97Å; C57-L60 PolarHBondContact O-N 3.19Å; H58-L60 PolarHBondContact O-N 2.9Å; L60-Y64 WeakPolarHBondContact O-CB 3.18Å; L60-Y64 PolarHBondContact O-N 3.28Å; L60-Y64 VanDerWaalsContact O-N 3.09Å; L60-F74 HydrophobicContact CD2-CD1 4.41Å; L60-F74 HydrophobicContact CD2-CE1 4.19Å; L60-T75 HydrophobicContact CB-CG2 4.02Å; L60-T75 HydrophobicContact CD2-CG2 4.42Å; L60-T75 WeakPolarHBondContact O-CG2 3.45Å; L60-T75 PolarHBondContact O-OG1 3.07Å; L60-F78 HydrophobicContact CD1-CD2 4.41Å; L60-F78 HydrophobicContact CD2-CD2 3.97Å; L60-F78 HydrophobicContact CD2-CE2 4.1Å; L60-L104 HydrophobicContact CB-CD1 4.21Å; L60-L104 HydrophobicContact CB-CD2 4.17Å; L60-L104 HydrophobicContact CD1-CD2 4.26Å
61F97.4Very high94.4Very high48 Ų4854.3 Ų54.321%0.21126%0.262CS..Hα-helixtrans-66.6-47.1173.2179.3-110.1000111.8C57 H58 Q59 L63 Y64 R65 L104 L111C57-F61 PolarHBondContact O-N 3.07Å; H58-F61 WeakPolarHBondContact O-CB 3.26Å; H58-F61 PolarHBondContact O-N 2.81Å; Q59-F61 VanDerWaalsContact C-N 3.28Å; Q59-F61 PolarHBondContact O-N 3.02Å; F61-L63 PolarHBondContact O-N 3.38Å; F61-Y64 CarbonylContact O-C 3.52Å; F61-Y64 WeakPolarHBondContact O-CA 3.35Å; F61-Y64 WeakPolarHBondContact O-CB 3.45Å; F61-Y64 PolarHBondContact O-N 2.95Å; F61-R65 WeakPolarHBondContact O-CB 3.32Å; F61-R65 PolarHBondContact O-N 3.25Å; F61-L104 HydrophobicContact CB-CD1 3.72Å; F61-L111 HydrophobicContact CD2-CD1 4.43Å; F61-L111 HydrophobicContact CE2-CD1 3.56Å; F61-L111 HydrophobicContact CE2-CG 4.4Å; F61-L111 HydrophobicContact CZ-CD1 4Å
62E95.6Very high94.5Very high89 Ų8950.5 Ų50.542%0.41624%0.242SC..Hα-helixtrans-63.4-39.1177.8-69.1-55.4141.700112.7F16 H58 Q59 Y64 R65 S66F16-E62 HydrophobicContact CE1-CB 4.02Å; H58-E62 PolarHBondContact O-N 2.68Å; Q59-E62 PolarHBondContact O-N 2.88Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.19Å; E62-R65 PolarHBondContact O-N 3.13Å; E62-S66 PolarHBondContact O-N 2.82Å
63L95.4Very high94.6Very high0 Ų053.1 Ų53.10%025%0.251CS..Hα-helixtrans-59.7-39.2170.6-70.6-178.6000111.9W12 F16 Y27 Q59 F61 S66 L71 F74W12-L63 HydrophobicContact CZ2-CD1 3.66Å; F16-L63 HydrophobicContact CD1-CD2 4.41Å; F16-L63 HydrophobicContact CD2-CD2 3.74Å; F16-L63 HydrophobicContact CE1-CD2 4.07Å; F16-L63 HydrophobicContact CE2-CD2 3.35Å; F16-L63 HydrophobicContact CG-CD2 4.26Å; F16-L63 HydrophobicContact CZ-CD2 3.54Å; F16-L63 HydrophobicContact CZ-CG 4.39Å; Y27-L63 HydrophobicContact CE1-CD2 4.11Å; Q59-L63 VanDerWaalsContact O-CG 3.31Å; Q59-L63 WeakPolarHBondContact O-CG 3.4Å; Q59-L63 PolarHBondContact O-N 3.1Å; F61-L63 PolarHBondContact O-N 3.38Å; L63-S66 WeakPolarHBondContact O-CB 3.46Å; L63-S66 PolarHBondContact O-OG 2.76Å; L63-L71 HydrophobicContact CB-CB 4.26Å; L63-L71 HydrophobicContact CD2-CD1 3.86Å; L63-L71 HydrophobicContact CD2-CD2 4.05Å; L63-L71 HydrophobicContact CD2-CG 4.35Å; L63-L71 VanDerWaalsContact O-CB 3.25Å; L63-L71 WeakPolarHBondContact O-CB 3.44Å; L63-F74 HydrophobicContact CD1-CD1 3.9Å; L63-F74 HydrophobicContact CD1-CE1 4.07Å
64Y95.6Very high94.7Very high2 Ų254 Ų541%0.00825%0.254CS..Hα-helixtrans-72.8-35.7178.3-162.4-99.8000113.3L60 F61 E62 S66 R72 T75 L76 I108 L111 E112L60-Y64 WeakPolarHBondContact O-CB 3.18Å; L60-Y64 PolarHBondContact O-N 3.28Å; L60-Y64 VanDerWaalsContact O-N 3.09Å; F61-Y64 CarbonylContact O-C 3.52Å; F61-Y64 WeakPolarHBondContact O-CA 3.35Å; F61-Y64 WeakPolarHBondContact O-CB 3.45Å; F61-Y64 PolarHBondContact O-N 2.95Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.19Å; Y64-S66 PolarHBondContact O-N 3.33Å; Y64-R72 HydrophobicContact CD2-CB 3.94Å; Y64-R72 HydrophobicContact CD2-CG 3.98Å; Y64-R72 HydrophobicContact CE2-CB 3.78Å; Y64-R72 HydrophobicContact CE2-CG 4.02Å; Y64-R72 HydrophobicContact CG-CG 4.44Å; Y64-R72 WeakPolarHBondContact O-CG 3.18Å; Y64-R72 PolarHBondContact O-NE 2.97Å; Y64-T75 HydrophobicContact CD2-CG2 4.16Å; Y64-T75 HydrophobicContact CG-CG2 4.5Å; Y64-L76 HydrophobicContact CE2-CD1 4Å; Y64-L76 HydrophobicContact CE2-CD2 4.23Å; Y64-L76 HydrophobicContact CE2-CG 3.77Å; Y64-I108 HydrophobicContact CD1-CB 4.25Å; Y64-I108 HydrophobicContact CD1-CG1 3.81Å; Y64-I108 HydrophobicContact CD1-CG2 4.17Å; Y64-I108 HydrophobicContact CE1-CB 4.14Å; Y64-I108 HydrophobicContact CE1-CG1 4.16Å; Y64-I108 HydrophobicContact CE1-CG2 3.62Å; Y64-I108 HydrophobicContact CE2-CG2 4.41Å; Y64-I108 HydrophobicContact CG-CG1 4.02Å; Y64-L111 HydrophobicContact CD1-CD1 4.01Å; Y64-L111 HydrophobicContact CE1-CB 4.41Å; Y64-E112 HydrophobicContact CE1-CG 3.98Å; Y64-E112 VanDerWaalsContact OH-CD 3.29Å; Y64-E112 WeakPolarHBondContact OH-CG 3.47Å; Y64-E112 PolarHBondContact OH-OE1 2.97Å; Y64-E112 VanDerWaalsContact OH-OE1 3.09Å
65R93.9Very high94.8Very high152 Ų15248.4 Ų48.457%0.57423%0.228SC*.Hα-helixtrans-62.8-28.7176.3-174.7179.4-178.2146.15.9112.3F61 E62 L111F61-R65 WeakPolarHBondContact O-CB 3.32Å; F61-R65 PolarHBondContact O-N 3.25Å; E62-R65 PolarHBondContact O-N 3.13Å; R65-L111 HydrophobicContact CB-CD1 4.29Å
66S90.4Very high94.9Very high19 Ų1947 Ų4713%0.13322%0.219CC..SBendtrans-55.8156.9176.880.20000113.2E62 L63 Y64 E68 R72E62-S66 PolarHBondContact O-N 2.82Å; L63-S66 WeakPolarHBondContact O-CB 3.46Å; L63-S66 PolarHBondContact O-OG 2.76Å; Y64-S66 PolarHBondContact O-N 3.33Å; S66-E68 PolarHBondContact O-N 2.91Å; S66-E68 PolarHBondContact OG-N 3.05Å; S66-R72 PolarHBondContact O-NE 3.38Å; S66-R72 VanDerWaalsContact O-NE 3.1Å; S66-R72 PolarHBondContact O-NH2 3.33Å
67S83.8Confident94.9Very high120 Ų12047.5 Ų47.584%0.83922%0.221SC*.SBendtrans-77.8-0.5174.651.10000113.7
68E92.9Very high95Very high44 Ų4447.3 Ų47.321%0.20622%0.22CC..  trans-95110.4-173.2177.755.5-134.100111.4A28 S66 R70 L71 R72A28-E68 HydrophobicContact CB-CG 3.55Å; S66-E68 PolarHBondContact O-N 2.91Å; S66-E68 PolarHBondContact OG-N 3.05Å; E68-R70 HydrophobicContact CG-CB 4.14Å; E68-R70 PolarHBondContact O-N 3.34Å; E68-R70 VanDerWaalsContact O-N 3.07Å; E68-R70 WeakPolarHBondContact OE1-CB 3.24Å; E68-R70 WeakPolarHBondContact OE1-CD 3.5Å; E68-R70 WeakPolarHBondContact OE1-CG 3.21Å; E68-R70 PolarHBondContact OE1-N 2.95Å; E68-R70 IonicContact OE1-NE 3.85Å; E68-L71 HydrophobicContact CB-CB 4.5Å; E68-L71 HydrophobicContact CB-CD1 4.23Å; E68-L71 HydrophobicContact CB-CG 4.15Å; E68-L71 HydrophobicContact CG-CD1 4.41Å; E68-L71 HydrophobicContact CG-CG 3.98Å; E68-L71 PolarHBondContact O-N 3.5Å; E68-R72 PolarHBondContact O-N 3.46Å
69D92.5Very high95.1Very high83 Ų8342.4 Ų42.444%0.44420%0.197SC..Hα-helixtrans-49.6-35.8179.1-9516000113.8L71 R72 R73D69-L71 VanDerWaalsContact C-N 3.34Å; D69-R72 PolarHBondContact O-N 3.29Å; D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 WeakPolarHBondContact O-CD 3.46Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 3.44Å; D69-R73 IonicContact OD2-CZ 2.94Å; D69-R73 IonicContact OD2-NH2 3.44Å; D69-R73 PolarHBondContact OD2-NH2 3.4Å
70R94.1Very high95.1Very high148 Ų14842 Ų4256%0.55820%0.195SC*.Hα-helixtrans-64.9-37.7178.9-67.5173.7-177.7-1700.8112.3A28 E68 F74A28-R70 HydrophobicContact CB-CB 4.1Å; E68-R70 HydrophobicContact CG-CB 4.14Å; E68-R70 PolarHBondContact O-N 3.34Å; E68-R70 VanDerWaalsContact O-N 3.07Å; E68-R70 WeakPolarHBondContact OE1-CB 3.24Å; E68-R70 WeakPolarHBondContact OE1-CD 3.5Å; E68-R70 WeakPolarHBondContact OE1-CG 3.21Å; E68-R70 PolarHBondContact OE1-N 2.95Å; E68-R70 IonicContact OE1-NE 3.85Å; R70-F74 WeakPolarHBondContact O-CB 3.46Å; R70-F74 PolarHBondContact O-N 2.99Å
71L95.2Very high95.2Very high0 Ų042 Ų420%020%0.195CC..Hα-helixtrans-74.2-39.3178.5-61-173.9000111.1I24 Y27 A28 L31 L63 E68 D69 R73 F74 T75I24-L71 HydrophobicContact CG2-CD1 3.56Å; Y27-L71 HydrophobicContact CD1-CD2 4.44Å; A28-L71 HydrophobicContact CB-CD1 4.2Å; A28-L71 HydrophobicContact CB-CD2 3.47Å; A28-L71 VanDerWaalsContact CB-CD2 3.47Å; A28-L71 HydrophobicContact CB-CG 3.64Å; L31-L71 HydrophobicContact CD1-CD2 3.38Å; L63-L71 HydrophobicContact CB-CB 4.26Å; L63-L71 HydrophobicContact CD2-CD1 3.86Å; L63-L71 HydrophobicContact CD2-CD2 4.05Å; L63-L71 HydrophobicContact CD2-CG 4.35Å; L63-L71 VanDerWaalsContact O-CB 3.25Å; L63-L71 WeakPolarHBondContact O-CB 3.44Å; E68-L71 HydrophobicContact CB-CB 4.5Å; E68-L71 HydrophobicContact CB-CD1 4.23Å; E68-L71 HydrophobicContact CB-CG 4.15Å; E68-L71 HydrophobicContact CG-CD1 4.41Å; E68-L71 HydrophobicContact CG-CG 3.98Å; E68-L71 PolarHBondContact O-N 3.5Å; D69-L71 VanDerWaalsContact C-N 3.34Å; L71-R73 PolarHBondContact O-N 3.49Å; L71-F74 WeakPolarHBondContact O-CB 3.25Å; L71-F74 PolarHBondContact O-N 2.85Å; L71-T75 PolarHBondContact O-N 2.95Å
72R95.3Very high95.2Very high61 Ų6139.8 Ų39.823%0.2319%0.186CC..Hα-helixtrans-56.5-47.5170.7-70.5-176176.5-134.6-0.9112.3Y64 S66 E68 D69 T75 L76 E112Y64-R72 HydrophobicContact CD2-CB 3.94Å; Y64-R72 HydrophobicContact CD2-CG 3.98Å; Y64-R72 HydrophobicContact CE2-CB 3.78Å; Y64-R72 HydrophobicContact CE2-CG 4.02Å; Y64-R72 HydrophobicContact CG-CG 4.44Å; Y64-R72 WeakPolarHBondContact O-CG 3.18Å; Y64-R72 PolarHBondContact O-NE 2.97Å; S66-R72 PolarHBondContact O-NE 3.38Å; S66-R72 VanDerWaalsContact O-NE 3.1Å; S66-R72 PolarHBondContact O-NH2 3.33Å; E68-R72 PolarHBondContact O-N 3.46Å; D69-R72 PolarHBondContact O-N 3.29Å; R72-T75 PolarHBondContact O-N 2.93Å; R72-L76 WeakPolarHBondContact O-CG 3.48Å; R72-L76 PolarHBondContact O-N 3.26Å; R72-E112 IonicContact NH1-OE1 3.96Å; R72-E112 PolarHBondContact NH1-OE1 2.89Å
73R95.6Very high95.3Very high71 Ų7135.6 Ų35.627%0.26817%0.166SC..Hα-helixtrans-65.1-38.5176.2-66.8166.2-155.1-161.99112.1D69 L71 T75 L76 Q77 Y194D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 WeakPolarHBondContact O-CD 3.46Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 3.44Å; D69-R73 IonicContact OD2-CZ 2.94Å; D69-R73 IonicContact OD2-NH2 3.44Å; D69-R73 PolarHBondContact OD2-NH2 3.4Å; L71-R73 PolarHBondContact O-N 3.49Å; R73-T75 VanDerWaalsContact C-N 3.35Å; R73-T75 PolarHBondContact O-N 2.98Å; R73-L76 PolarHBondContact O-N 3.04Å; R73-Q77 PolarHBondContact O-N 3.48Å; R73-Q77 VanDerWaalsContact O-N 3.12Å; R73-Y194 VanDerWaalsContact NH1-CE1 3.27Å; R73-Y194 VanDerWaalsContact NH1-CG 3.25Å
74F96.5Very high95.3Very high22 Ų2235.6 Ų35.610%0.09617%0.166CC..Hα-helixtrans-60.6-40.5175.1-179.5-89.9000112.4W12 L31 L37 V38 L41 L60 L63 R70 L71 Q77 F78W12-F74 HydrophobicContact CZ2-CE1 4.11Å; L31-F74 HydrophobicContact CB-CD2 4.49Å; L31-F74 HydrophobicContact CD1-CD1 4.36Å; L31-F74 HydrophobicContact CD1-CD2 4.1Å; L31-F74 HydrophobicContact CD1-CE2 4.42Å; L31-F74 HydrophobicContact CD1-CG 4.07Å; L31-F74 HydrophobicContact CD2-CE2 4.39Å; L31-F74 HydrophobicContact CD2-CZ 4.38Å; L37-F74 HydrophobicContact CD2-CZ 3.96Å; V38-F74 HydrophobicContact CG2-CE2 3.96Å; L41-F74 HydrophobicContact CD1-CE1 4.05Å; L41-F74 HydrophobicContact CD1-CZ 3.78Å; L60-F74 HydrophobicContact CD2-CD1 4.41Å; L60-F74 HydrophobicContact CD2-CE1 4.19Å; L63-F74 HydrophobicContact CD1-CD1 3.9Å; L63-F74 HydrophobicContact CD1-CE1 4.07Å; R70-F74 WeakPolarHBondContact O-CB 3.46Å; R70-F74 PolarHBondContact O-N 2.99Å; L71-F74 WeakPolarHBondContact O-CB 3.25Å; L71-F74 PolarHBondContact O-N 2.85Å; F74-Q77 VanDerWaalsContact CD2-NE2 3.25Å; F74-Q77 VanDerWaalsContact O-CG 3.29Å; F74-Q77 WeakPolarHBondContact O-CG 3.38Å; F74-Q77 PolarHBondContact O-NE2 2.71Å; F74-F78 HydrophobicContact CD1-CE2 4.28Å; F74-F78 AromaticContact CE1-CE2 3.88Å; F74-F78 HydrophobicContact CE1-CE2 3.88Å; F74-F78 HydrophobicContact CZ-CE2 4.08Å; F74-F78 HydrophobicContact CZ-CZ 4.33Å; F74-F78 WeakPolarHBondContact O-CD2 3.46Å; F74-F78 VanDerWaalsContact O-CE2 3.3Å; F74-F78 WeakPolarHBondContact O-CE2 3.31Å
75T97.2Very high95.2Very high1 Ų135.5 Ų35.51%0.00617%0.166CC..Hα-helixtrans-71.2-44173.6-65.90000111.8L60 Y64 L71 R72 R73 Q77 F78 I108L60-T75 HydrophobicContact CB-CG2 4.02Å; L60-T75 HydrophobicContact CD2-CG2 4.42Å; L60-T75 WeakPolarHBondContact O-CG2 3.45Å; L60-T75 PolarHBondContact O-OG1 3.07Å; Y64-T75 HydrophobicContact CD2-CG2 4.16Å; Y64-T75 HydrophobicContact CG-CG2 4.5Å; L71-T75 PolarHBondContact O-N 2.95Å; R72-T75 PolarHBondContact O-N 2.93Å; R73-T75 VanDerWaalsContact C-N 3.35Å; R73-T75 PolarHBondContact O-N 2.98Å; T75-Q77 PolarHBondContact O-N 3.46Å; T75-Q77 VanDerWaalsContact O-N 3.16Å; T75-F78 PolarHBondContact O-N 2.81Å; T75-F78 VanDerWaalsContact O-N 3.13Å; T75-I108 HydrophobicContact CG2-CD1 3.89Å
76L97.3Very high95.2Very high9 Ų928.6 Ų28.65%0.04714%0.139CC..Hα-helixtrans-60.1-26.4-179.2-77.7168.2000114.2Y64 R72 R73 F78 L79 A191 M195Y64-L76 HydrophobicContact CE2-CD1 4Å; Y64-L76 HydrophobicContact CE2-CD2 4.23Å; Y64-L76 HydrophobicContact CE2-CG 3.77Å; R72-L76 WeakPolarHBondContact O-CG 3.48Å; R72-L76 PolarHBondContact O-N 3.26Å; R73-L76 PolarHBondContact O-N 3.04Å; L76-F78 PolarHBondContact O-N 3.38Å; L76-F78 VanDerWaalsContact O-N 3.13Å; L76-L79 HydrophobicContact CD2-CD2 3.69Å; L76-L79 VanDerWaalsContact O-CB 3.24Å; L76-L79 WeakPolarHBondContact O-CB 3.44Å; L76-L79 PolarHBondContact O-N 2.98Å; L76-A191 HydrophobicContact CD1-CB 4.37Å; L76-M195 HydrophobicContact CB-CE 3.62Å; L76-M195 HydrophobicContact CB-SD 4.36Å; L76-M195 HydrophobicContact CD1-CE 4.34Å
77Q97.1Very high95.3Very high10 Ų1027.9 Ų27.95%0.04713%0.134CC..THydrogen-bonded Turntrans-58.6-28.5177.589.9-169.3-63.600112.8Y42 R73 F74 T75 M195 P196 S199Y42-Q77 PolarHBondContact OH-O 3.19Å; R73-Q77 PolarHBondContact O-N 3.48Å; R73-Q77 VanDerWaalsContact O-N 3.12Å; F74-Q77 VanDerWaalsContact CD2-NE2 3.25Å; F74-Q77 VanDerWaalsContact O-CG 3.29Å; F74-Q77 WeakPolarHBondContact O-CG 3.38Å; F74-Q77 PolarHBondContact O-NE2 2.71Å; T75-Q77 PolarHBondContact O-N 3.46Å; T75-Q77 VanDerWaalsContact O-N 3.16Å; Q77-M195 HydrophobicContact CB-SD 4.08Å; Q77-P196 HydrophobicContact CB-CG 4.28Å; Q77-P196 VanDerWaalsContact OE1-CG 3.27Å; Q77-S199 WeakPolarHBondContact CA-OG 3.33Å; Q77-S199 WeakPolarHBondContact O-CB 3.28Å; Q77-S199 PolarHBondContact O-OG 2.93Å
78F98.2Very high95.7Very high0 Ų024.7 Ų24.70%010%0.104CC..THydrogen-bonded Turntrans-89.3-12.3-179.5-57.6-69.1000113.4V38 L41 Y42 I45 L60 F74 T75 L76 P80 E81 L82V38-F78 HydrophobicContact CB-CZ 4.48Å; V38-F78 HydrophobicContact CG1-CE1 4.02Å; V38-F78 HydrophobicContact CG1-CZ 4.15Å; V38-F78 HydrophobicContact CG2-CZ 4.31Å; L41-F78 HydrophobicContact CB-CE1 3.74Å; L41-F78 HydrophobicContact CB-CZ 3.73Å; L41-F78 HydrophobicContact CD1-CE1 4.48Å; L41-F78 HydrophobicContact CD1-CE2 3.92Å; L41-F78 HydrophobicContact CD1-CZ 3.61Å; L41-F78 HydrophobicContact CG-CZ 4.33Å; Y42-F78 AromaticContact CD1-CD1 3.98Å; Y42-F78 HydrophobicContact CD1-CD1 3.98Å; Y42-F78 HydrophobicContact CD1-CE1 4.45Å; Y42-F78 HydrophobicContact CD2-CD1 4.15Å; Y42-F78 AromaticContact CD2-CE1 3.82Å; Y42-F78 HydrophobicContact CD2-CE1 3.82Å; Y42-F78 AromaticContact CE1-CD1 3.74Å; Y42-F78 HydrophobicContact CE1-CD1 3.74Å; Y42-F78 HydrophobicContact CE1-CE1 4.38Å; Y42-F78 AromaticContact CE2-CD1 3.93Å; Y42-F78 HydrophobicContact CE2-CD1 3.93Å; Y42-F78 AromaticContact CE2-CE1 3.74Å; Y42-F78 HydrophobicContact CE2-CE1 3.74Å; Y42-F78 HydrophobicContact CG-CD1 4.16Å; Y42-F78 HydrophobicContact CG-CE1 4.18Å; Y42-F78 AromaticContact CZ-CD1 3.71Å; I45-F78 HydrophobicContact CD1-CB 3.81Å; I45-F78 HydrophobicContact CD1-CD1 3.97Å; I45-F78 HydrophobicContact CD1-CG 3.94Å; L60-F78 HydrophobicContact CD1-CD2 4.41Å; L60-F78 HydrophobicContact CD2-CD2 3.97Å; L60-F78 HydrophobicContact CD2-CE2 4.1Å; F74-F78 HydrophobicContact CD1-CE2 4.28Å; F74-F78 AromaticContact CE1-CE2 3.88Å; F74-F78 HydrophobicContact CE1-CE2 3.88Å; F74-F78 HydrophobicContact CZ-CE2 4.08Å; F74-F78 HydrophobicContact CZ-CZ 4.33Å; F74-F78 WeakPolarHBondContact O-CD2 3.46Å; F74-F78 VanDerWaalsContact O-CE2 3.3Å; F74-F78 WeakPolarHBondContact O-CE2 3.31Å; T75-F78 PolarHBondContact O-N 2.81Å; T75-F78 VanDerWaalsContact O-N 3.13Å; L76-F78 PolarHBondContact O-N 3.38Å; L76-F78 VanDerWaalsContact O-N 3.13Å; F78-P80 VanDerWaalsContact C-CD 3.48Å; F78-E81 PolarHBondContact O-N 3.29Å; F78-L82 HydrophobicContact CB-CD1 4.27Å; F78-L82 PolarHBondContact O-N 3.12Å
79L98.4Very high95.5Very high2 Ų223 Ų231%0.0110%0.096CC..Hα-helixtrans-52.4-42.9-175179.960.3000113.5L76 E81 L82 V83 L105 L184L76-L79 HydrophobicContact CD2-CD2 3.69Å; L76-L79 VanDerWaalsContact O-CB 3.24Å; L76-L79 WeakPolarHBondContact O-CB 3.44Å; L76-L79 PolarHBondContact O-N 2.98Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 2.94Å; L79-L82 PolarHBondContact O-N 3.19Å; L79-V83 HydrophobicContact CD1-CG2 3.82Å; L79-V83 HydrophobicContact CG-CG2 4.3Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.36Å; L79-V83 PolarHBondContact O-N 3.44Å; L79-L105 HydrophobicContact CD1-CD2 3.36Å; L79-L184 HydrophobicContact CD1-CB 4.37Å; L79-L184 HydrophobicContact CD1-CD1 4.46Å; L79-L184 HydrophobicContact CD2-CB 4.1Å; L79-L184 WeakPolarHBondContact CD2-O 3.28Å
80P98.4Very high95.3Very high0 Ų021.3 Ų21.30%09%0.089CC..Hα-helixtrans-63.2-34.1178-2233.4000114.3F78 W84 Y188 A202 V203 M206F78-P80 VanDerWaalsContact C-CD 3.48Å; P80-W84 WeakPolarHBondContact O-CB 3.4Å; P80-W84 PolarHBondContact O-N 3.46Å; P80-Y188 HydrophobicContact CG-CD2 4.2Å; P80-Y188 HydrophobicContact CG-CE2 3.76Å; P80-A202 HydrophobicContact CB-CB 4.26Å; P80-V203 HydrophobicContact CB-CB 3.88Å; P80-V203 HydrophobicContact CB-CG2 4.09Å; P80-V203 HydrophobicContact CG-CB 3.79Å; P80-V203 HydrophobicContact CG-CG2 4.04Å; P80-M206 HydrophobicContact CB-CB 4.36Å; P80-M206 HydrophobicContact CB-CE 4.45Å; P80-M206 HydrophobicContact CB-SD 3.96Å; P80-M206 WeakPolarHBondContact O-CG 3.34Å
81E97.9Very high95Very high2 Ų215.2 Ų15.21%0.0097%0.07CC..Hα-helixtrans-77.1-36.9177.2-16281.6-125.100110.8Y42 I45 Q46 F78 L79 V83 W84 V85 R205 R209Y42-E81 HydrophobicContact CD1-CB 4.07Å; Y42-E81 HydrophobicContact CD1-CG 4.2Å; Y42-E81 HydrophobicContact CE1-CB 4.06Å; I45-E81 HydrophobicContact CG2-CB 4.25Å; I45-E81 HydrophobicContact CG2-CG 4.02Å; Q46-E81 HydrophobicContact CG-CG 3.76Å; Q46-E81 VanDerWaalsContact NE2-CD 3.29Å; Q46-E81 PolarHBondContact NE2-OE2 3.01Å; F78-E81 PolarHBondContact O-N 3.29Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 2.94Å; E81-V83 PolarHBondContact O-N 3.12Å; E81-W84 WeakPolarHBondContact O-CB 3.46Å; E81-W84 PolarHBondContact O-N 3.01Å; E81-V85 VanDerWaalsContact O-CG2 3.27Å; E81-V85 WeakPolarHBondContact O-CG2 3.29Å; E81-V85 PolarHBondContact O-N 3.44Å; E81-R205 IonicContact OE2-NH1 3.99Å; E81-R209 IonicContact OE1-NH1 2.66Å; E81-R209 PolarHBondContact OE1-NH1 3.12Å
82L97.6Very high94.4Very high1 Ų118 Ų181%0.0059%0.09CC..Hα-helixtrans-59.7-44.7172-69.8165.4000111.6I45 F78 L79 V85 Y86 I101 L104 L105I45-L82 HydrophobicContact CD1-CD2 4.2Å; I45-L82 HydrophobicContact CD1-CG 4.38Å; I45-L82 HydrophobicContact CG1-CD2 4.23Å; I45-L82 HydrophobicContact CG2-CD2 3.82Å; I45-L82 HydrophobicContact CG2-CG 4.19Å; F78-L82 HydrophobicContact CB-CD1 4.27Å; F78-L82 PolarHBondContact O-N 3.12Å; L79-L82 PolarHBondContact O-N 3.19Å; L82-V85 PolarHBondContact O-N 3.44Å; L82-Y86 WeakPolarHBondContact O-CB 3.43Å; L82-Y86 PolarHBondContact O-N 2.94Å; L82-I101 HydrophobicContact CB-CG2 4.39Å; L82-I101 HydrophobicContact CD2-CG1 4.18Å; L82-I101 HydrophobicContact CD2-CG2 4.17Å; L82-L104 HydrophobicContact CD1-CD2 3.6Å; L82-L104 HydrophobicContact CD1-CG 4.48Å; L82-L104 HydrophobicContact CD2-CD2 4.01Å; L82-L104 HydrophobicContact CG-CD2 4.48Å; L82-L105 HydrophobicContact CB-CD2 4.08Å
83V97.3Very high93.1Very high0 Ų025.6 Ų25.60%012%0.118CC..Hα-helixtrans-66.2-41.2176.7172.70000111.7L79 E81 L87 L105 L181 M206 F236L79-V83 HydrophobicContact CD1-CG2 3.82Å; L79-V83 HydrophobicContact CG-CG2 4.3Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.36Å; L79-V83 PolarHBondContact O-N 3.44Å; E81-V83 PolarHBondContact O-N 3.12Å; V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 HydrophobicContact CG1-CG 4.4Å; V83-L87 WeakPolarHBondContact O-CB 3.28Å; V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 3.31Å; V83-L105 HydrophobicContact CG2-CD2 4.13Å; V83-L181 HydrophobicContact CB-CD2 4.38Å; V83-L181 HydrophobicContact CG1-CD1 4.47Å; V83-L181 HydrophobicContact CG1-CD2 3.95Å; V83-L181 HydrophobicContact CG2-CD2 3.73Å; V83-M206 HydrophobicContact CB-SD 3.96Å; V83-M206 HydrophobicContact CG1-SD 3.88Å; V83-F236 HydrophobicContact CG1-CE2 4.16Å; V83-F236 HydrophobicContact CG1-CZ 3.77Å
84W95.4Very high91.9Very high1 Ų126 Ų260%0.00413%0.126CC..Hα-helixtrans-56.7-50.7172.2164-118.5000111.9P80 E81 L87 R88 M206 R209 V210 C213P80-W84 WeakPolarHBondContact O-CB 3.4Å; P80-W84 PolarHBondContact O-N 3.46Å; E81-W84 WeakPolarHBondContact O-CB 3.46Å; E81-W84 PolarHBondContact O-N 3.01Å; W84-L87 PolarHBondContact O-N 3.36Å; W84-R88 HydrophobicContact CH2-CB 4.19Å; W84-R88 HydrophobicContact CH2-CG 4.27Å; W84-R88 HydrophobicContact CZ2-CB 4.19Å; W84-R88 HydrophobicContact CZ2-CG 4.14Å; W84-R88 HydrophobicContact CZ3-CB 4.37Å; W84-R88 VanDerWaalsContact O-CB 3.29Å; W84-R88 WeakPolarHBondContact O-CB 3.38Å; W84-R88 PolarHBondContact O-N 3.2Å; W84-M206 HydrophobicContact CB-CB 4.25Å; W84-M206 HydrophobicContact CB-CG 4.01Å; W84-R209 HydrophobicContact CD2-CB 4.28Å; W84-R209 HydrophobicContact CE3-CB 3.85Å; W84-R209 HydrophobicContact CH2-CB 3.79Å; W84-R209 HydrophobicContact CH2-CG 4.36Å; W84-R209 HydrophobicContact CZ2-CB 4.19Å; W84-R209 HydrophobicContact CZ2-CG 4.34Å; W84-R209 HydrophobicContact CZ3-CB 3.6Å; W84-V210 HydrophobicContact CE3-CG1 3.6Å; W84-V210 HydrophobicContact CZ3-CG1 3.96Å; W84-C213 WeakPolarHBondContact CH2-SG 3.49Å
85V93.8Very high90.2Very high0 Ų035.8 Ų35.80%016%0.162CC..Hα-helixtrans-65.5-45.2-176.9174.30000110.8I45 E81 L82 L87 R88 I89 I101I45-V85 HydrophobicContact CG2-CG2 4.46Å; I45-V85 WeakPolarHBondContact O-CG2 3.4Å; E81-V85 VanDerWaalsContact O-CG2 3.27Å; E81-V85 WeakPolarHBondContact O-CG2 3.29Å; E81-V85 PolarHBondContact O-N 3.44Å; L82-V85 PolarHBondContact O-N 3.44Å; V85-L87 PolarHBondContact O-N 3.03Å; V85-R88 PolarHBondContact O-N 3.05Å; V85-I89 HydrophobicContact CG1-CD1 3.61Å; V85-I89 HydrophobicContact CG1-CG1 4.39Å; V85-I89 VanDerWaalsContact O-CG1 3.28Å; V85-I89 WeakPolarHBondContact O-CG1 3.42Å; V85-I89 PolarHBondContact O-N 3.3Å; V85-I101 HydrophobicContact CB-CD1 4.13Å; V85-I101 HydrophobicContact CG1-CD1 3.48Å; V85-I101 VanDerWaalsContact CG1-CD1 3.48Å
86Y94.3Very high88.4Confident6 Ų644.9 Ų44.92%0.02421%0.205CC..Hα-helixtrans-53.7-50.4173.3169.1-95.4000112.3L82 T90 N98 E102 L105 F172 L181L82-Y86 WeakPolarHBondContact O-CB 3.43Å; L82-Y86 PolarHBondContact O-N 2.94Å; Y86-T90 VanDerWaalsContact O-CB 3.28Å; Y86-T90 WeakPolarHBondContact O-CB 3.3Å; Y86-T90 PolarHBondContact O-N 3.04Å; Y86-T90 PolarHBondContact O-OG1 2.93Å; Y86-N98 WeakPolarHBondContact CD2-ND2 3.34Å; Y86-N98 WeakPolarHBondContact CE2-ND2 3.28Å; Y86-E102 HydrophobicContact CD2-CG 3.7Å; Y86-E102 HydrophobicContact CE2-CG 3.56Å; Y86-L105 HydrophobicContact CD2-CD1 4.31Å; Y86-L105 HydrophobicContact CG-CD1 3.99Å; Y86-F172 HydrophobicContact CE2-CD1 4.4Å; Y86-F172 HydrophobicContact CE2-CD2 4.19Å; Y86-F172 HydrophobicContact CE2-CE2 4.45Å; Y86-F172 HydrophobicContact CE2-CG 4.16Å; Y86-F172 AromaticContact CZ-CD1 3.98Å; Y86-F172 WeakPolarHBondContact OH-CD1 3.39Å; Y86-L181 HydrophobicContact CD1-CD1 3.98Å; Y86-L181 HydrophobicContact CD1-CD2 4.29Å; Y86-L181 HydrophobicContact CE1-CD1 3.82Å
87L93.4Very high86.8Confident5 Ų545.7 Ų45.73%0.02621%0.211CC..Hα-helixtrans-68.3-38.5-178.7-73.3175.7000112.3V83 W84 V85 A91 F178 L181 V210 V230 L232 F236V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 HydrophobicContact CG1-CG 4.4Å; V83-L87 WeakPolarHBondContact O-CB 3.28Å; V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 3.31Å; W84-L87 PolarHBondContact O-N 3.36Å; V85-L87 PolarHBondContact O-N 3.03Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.44Å; L87-F178 HydrophobicContact CD2-CE1 4.32Å; L87-F178 HydrophobicContact CD2-CZ 3.85Å; L87-L181 HydrophobicContact CD1-CD1 4.39Å; L87-L181 HydrophobicContact CD2-CD1 3.76Å; L87-L181 HydrophobicContact CG-CD1 4.16Å; L87-V210 HydrophobicContact CD1-CG1 4.02Å; L87-V230 HydrophobicContact CB-CG1 3.95Å; L87-V230 HydrophobicContact CD1-CG1 4.2Å; L87-V230 HydrophobicContact CD2-CG1 4.07Å; L87-V230 HydrophobicContact CG-CG1 4.3Å; L87-L232 HydrophobicContact CD1-CD2 4.43Å; L87-F236 HydrophobicContact CD1-CE1 4.42Å; L87-F236 HydrophobicContact CD1-CZ 4.42Å
88R90.8Very high85.6Confident52 Ų5245.3 Ų45.320%0.19621%0.209CC..Hα-helixtrans-60.4-48.7176-178.9-17866.9179.4-4.5111.5Q46 W84 V85 A91 S92 E225Q46-R88 PolarHBondContact O-NH2 3.15Å; W84-R88 HydrophobicContact CH2-CB 4.19Å; W84-R88 HydrophobicContact CH2-CG 4.27Å; W84-R88 HydrophobicContact CZ2-CB 4.19Å; W84-R88 HydrophobicContact CZ2-CG 4.14Å; W84-R88 HydrophobicContact CZ3-CB 4.37Å; W84-R88 VanDerWaalsContact O-CB 3.29Å; W84-R88 WeakPolarHBondContact O-CB 3.38Å; W84-R88 PolarHBondContact O-N 3.2Å; V85-R88 PolarHBondContact O-N 3.05Å; R88-A91 PolarHBondContact O-N 3.25Å; R88-S92 PolarHBondContact O-N 2.76Å; R88-E225 IonicContact NH1-OE2 2.75Å
89I88.9Confident85.1Confident8 Ų847.7 Ų47.74%0.04123%0.234CC..Hα-helixtrans-68.4-43.1180-63.1167.2000110.5P48 V85 A91 S92 R93 D94 N98P48-I89 HydrophobicContact CB-CD1 3.84Å; V85-I89 HydrophobicContact CG1-CD1 3.61Å; V85-I89 HydrophobicContact CG1-CG1 4.39Å; V85-I89 VanDerWaalsContact O-CG1 3.28Å; V85-I89 WeakPolarHBondContact O-CG1 3.42Å; V85-I89 PolarHBondContact O-N 3.3Å; I89-A91 PolarHBondContact O-N 3.32Å; I89-A91 VanDerWaalsContact O-N 3.16Å; I89-S92 PolarHBondContact O-N 2.84Å; I89-S92 PolarHBondContact O-OG 3.14Å; I89-R93 PolarHBondContact O-N 3.34Å; I89-D94 WeakPolarHBondContact CG2-O 3.47Å; I89-N98 HydrophobicContact CG2-CB 3.94Å
90T88.6Confident84.8Confident48 Ų4848.8 Ų48.829%0.29424%0.241SC..Hα-helixtrans-56-35.2174.4-61.90000112.2Y86Y86-T90 VanDerWaalsContact O-CB 3.28Å; Y86-T90 WeakPolarHBondContact O-CB 3.3Å; Y86-T90 PolarHBondContact O-N 3.04Å; Y86-T90 PolarHBondContact O-OG1 2.93Å
91A87.4Confident84.7Confident21 Ų2148.8 Ų48.817%0.17424%0.241CC..Hα-helixtrans-80.8-27.6177.200000114L87 R88 I89 R93 N228 V230L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.44Å; R88-A91 PolarHBondContact O-N 3.25Å; I89-A91 PolarHBondContact O-N 3.32Å; I89-A91 VanDerWaalsContact O-N 3.16Å; A91-R93 VanDerWaalsContact C-N 3.27Å; A91-R93 PolarHBondContact O-N 3.13Å; A91-N228 HydrophobicContact CB-CB 4.02Å; A91-N228 WeakPolarHBondContact O-CB 3.26Å; A91-N228 PolarHBondContact O-ND2 2.88Å; A91-V230 HydrophobicContact CB-CG2 4.02Å
92S82.3Confident84.5Confident58 Ų5851.6 Ų51.641%0.40625%0.254SS..Hα-helixtrans-74.7-13.9179.971.60000114R88 I89 D94R88-S92 PolarHBondContact O-N 2.76Å; I89-S92 PolarHBondContact O-N 2.84Å; I89-S92 PolarHBondContact O-OG 3.14Å; S92-D94 PolarHBondContact O-N 2.84Å; S92-D94 PolarHBondContact OG-N 3.13Å
93R68.9Low84.4Confident220 Ų22054.5 Ų54.583%0.8328%0.278SS*.  trans67.52.9-171.5-55.5-176.7174.2-169.1-1.6115.1I89 A91 R95I89-R93 PolarHBondContact O-N 3.34Å; A91-R93 VanDerWaalsContact C-N 3.27Å; A91-R93 PolarHBondContact O-N 3.13Å; R93-R95 PolarHBondContact O-N 3.16Å; R93-R95 VanDerWaalsContact O-N 3.1Å
94D69.1Low84.4Confident79 Ų7954.7 Ų54.742%0.42228%0.279SS..  trans-76.194.6169.4177.124.4000109.6I89 S92 S97I89-D94 WeakPolarHBondContact CG2-O 3.47Å; S92-D94 PolarHBondContact O-N 2.84Å; S92-D94 PolarHBondContact OG-N 3.13Å; D94-S97 PolarHBondContact OD2-OG 2.84Å
95R61.1Low84.5Confident229 Ų22954.6 Ų54.686%0.86428%0.279SS*.  trans-85.6-8.6-172.8-78.9-177.8160.2-172.4-8.1114.7R93R93-R95 PolarHBondContact O-N 3.16Å; R93-R95 VanDerWaalsContact O-N 3.1Å
96Q61Low84.7Confident192 Ų19255.3 Ų55.390%0.89728%0.283SS*.SBendtrans-88.1-12.8-170.9-65.5-165-17.100113.9
97S62.1Low84.8Confident25 Ų2555.7 Ų55.718%0.17529%0.289CS..SBendtrans-100.91-171.848.90000115.8D94D94-S97 PolarHBondContact OD2-OG 2.84Å
98N72.4Confident85Confident3 Ų355.5 Ų55.52%0.01629%0.288CS..  trans-104.9-10.8-167.2-150.825.5000116.1Y86 I89 C100 I101 E102Y86-N98 WeakPolarHBondContact CD2-ND2 3.34Å; Y86-N98 WeakPolarHBondContact CE2-ND2 3.28Å; I89-N98 HydrophobicContact CG2-CB 3.94Å; N98-C100 PolarHBondContact O-N 3.41Å; N98-I101 PolarHBondContact O-N 3.5Å; N98-E102 HydrophobicContact CB-CG 4.36Å; N98-E102 PolarHBondContact ND2-OE1 3.21Å; N98-E102 PolarHBondContact O-N 3.27Å
99G88.2Confident85.3Confident50 Ų5053 Ų5352%0.51528%0.278SS..Hα-helixtrans-59.4-36.2-162.800000115.6A103G99-A103 WeakPolarHBondContact O-CB 3.37Å; G99-A103 PolarHBondContact O-N 3.39Å
100C92.6Very high85.7Confident24 Ų2454.6 Ų54.616%0.16229%0.287CS..Hα-helixtrans-74.1-35.1179.756.70000113.3E54 C57 N98 L104E54-C100 HydrophobicContact CB-CB 4.25Å; E54-C100 HydrophobicContact CG-CB 4.22Å; C57-C100 HydrophobicContact CB-CB 4.16Å; N98-C100 PolarHBondContact O-N 3.41Å; C100-L104 WeakPolarHBondContact O-CB 3.41Å; C100-L104 PolarHBondContact O-N 2.85Å
101I94.8Very high86Confident0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-71.6-41173.4-63.8176.6000109.7L53 L82 V85 N98 L104 L105L53-I101 HydrophobicContact CD1-CD1 4.4Å; L53-I101 HydrophobicContact CD1-CG1 4.44Å; L53-I101 HydrophobicContact CD2-CD1 4.19Å; L82-I101 HydrophobicContact CB-CG2 4.39Å; L82-I101 HydrophobicContact CD2-CG1 4.18Å; L82-I101 HydrophobicContact CD2-CG2 4.17Å; V85-I101 HydrophobicContact CB-CD1 4.13Å; V85-I101 HydrophobicContact CG1-CD1 3.48Å; V85-I101 VanDerWaalsContact CG1-CD1 3.48Å; N98-I101 PolarHBondContact O-N 3.5Å; I101-L104 PolarHBondContact O-N 3.43Å; I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.19Å; I101-L105 WeakPolarHBondContact O-CB 3.48Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.25Å; I101-L105 PolarHBondContact O-N 3Å
102E94.4Very high86.4Confident61 Ų6155 Ų5529%0.28528%0.283SS..Hα-helixtrans-57.7-50.5173-76.5-175.2-166.600111.7Y86 N98 L104 L105 L106 F172Y86-E102 HydrophobicContact CD2-CG 3.7Å; Y86-E102 HydrophobicContact CE2-CG 3.56Å; N98-E102 HydrophobicContact CB-CG 4.36Å; N98-E102 PolarHBondContact ND2-OE1 3.21Å; N98-E102 PolarHBondContact O-N 3.27Å; E102-L104 PolarHBondContact O-N 2.99Å; E102-L105 PolarHBondContact O-N 3.38Å; E102-L106 WeakPolarHBondContact O-CB 3.37Å; E102-L106 PolarHBondContact O-N 3.19Å; E102-F172 HydrophobicContact CB-CD2 3.87Å; E102-F172 HydrophobicContact CB-CE2 4.27Å; E102-F172 HydrophobicContact CG-CD2 3.83Å; E102-F172 HydrophobicContact CG-CE2 4.36Å; E102-F172 WeakPolarHBondContact O-CE2 3.36Å
103A95.6Very high87Confident62 Ų6252.3 Ų52.351%0.51226%0.264SS..Hα-helixtrans-59.5-42.6176.900000112.6G99 G107G99-A103 WeakPolarHBondContact O-CB 3.37Å; G99-A103 PolarHBondContact O-N 3.39Å; A103-G107 PolarHBondContact O-N 3.42Å
104L97.3Very high88.1Confident4 Ų443.6 Ų43.62%0.02124%0.235CC..Hα-helixtrans-63.3-51.9177.3173.961.1000112.2C57 L60 F61 L82 C100 I101 E102 L106 G107 I108C57-L104 HydrophobicContact CB-CB 4.32Å; C57-L104 HydrophobicContact CB-CD2 4.15Å; L60-L104 HydrophobicContact CB-CD1 4.21Å; L60-L104 HydrophobicContact CB-CD2 4.17Å; L60-L104 HydrophobicContact CD1-CD2 4.26Å; F61-L104 HydrophobicContact CB-CD1 3.72Å; L82-L104 HydrophobicContact CD1-CD2 3.6Å; L82-L104 HydrophobicContact CD1-CG 4.48Å; L82-L104 HydrophobicContact CD2-CD2 4.01Å; L82-L104 HydrophobicContact CG-CD2 4.48Å; C100-L104 WeakPolarHBondContact O-CB 3.41Å; C100-L104 PolarHBondContact O-N 2.85Å; I101-L104 PolarHBondContact O-N 3.43Å; E102-L104 PolarHBondContact O-N 2.99Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 3.19Å; L104-G107 PolarHBondContact O-N 3.16Å; L104-I108 HydrophobicContact CD1-CD1 3.68Å; L104-I108 HydrophobicContact CD1-CG1 4.08Å; L104-I108 HydrophobicContact CG-CD1 3.96Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 2.87Å
105L97.9Very high89Confident0 Ų042.7 Ų42.70%023%0.23CC..Hα-helixtrans-61.1-42.6-179.2-69.1173.9000111.1L79 L82 V83 Y86 I101 E102 Y109 F172 L181 L184L79-L105 HydrophobicContact CD1-CD2 3.36Å; L82-L105 HydrophobicContact CB-CD2 4.08Å; V83-L105 HydrophobicContact CG2-CD2 4.13Å; Y86-L105 HydrophobicContact CD2-CD1 4.31Å; Y86-L105 HydrophobicContact CG-CD1 3.99Å; I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.19Å; I101-L105 WeakPolarHBondContact O-CB 3.48Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.25Å; I101-L105 PolarHBondContact O-N 3Å; E102-L105 PolarHBondContact O-N 3.38Å; L105-Y109 WeakPolarHBondContact O-CB 3.41Å; L105-Y109 PolarHBondContact O-N 2.95Å; L105-F172 HydrophobicContact CB-CE2 4.04Å; L105-F172 HydrophobicContact CB-CZ 3.97Å; L105-L181 HydrophobicContact CD1-CD2 4.3Å; L105-L184 HydrophobicContact CB-CD1 3.97Å; L105-L184 HydrophobicContact CD2-CD1 3.99Å
106L96.9Very high90.1Very high15 Ų1541.6 Ų41.68%0.07923%0.232CC..Hα-helixtrans-70.5-37.6-180-161.166.8000112.4E102 L104 Y109 N110 R169 E170 F172 V180E102-L106 WeakPolarHBondContact O-CB 3.37Å; E102-L106 PolarHBondContact O-N 3.19Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 3.19Å; L106-Y109 PolarHBondContact O-N 3.26Å; L106-N110 WeakPolarHBondContact O-CB 3.26Å; L106-N110 PolarHBondContact O-N 3.38Å; L106-N110 PolarHBondContact O-ND2 3.08Å; L106-R169 HydrophobicContact CD1-CB 3.74Å; L106-R169 WeakPolarHBondContact CD2-O 3.26Å; L106-R169 WeakPolarHBondContact CG-O 3.4Å; L106-E170 VanDerWaalsContact CD2-O 3.26Å; L106-E170 WeakPolarHBondContact CD2-O 3.41Å; L106-F172 HydrophobicContact CB-CE2 4.04Å; L106-F172 HydrophobicContact CD1-CD2 4.49Å; L106-F172 HydrophobicContact CD1-CE2 4.28Å; L106-F172 HydrophobicContact CD1-CZ 4.48Å; L106-V180 HydrophobicContact CD1-CG1 4.45Å; L106-V180 HydrophobicContact CD1-CG2 4.37Å
107G97Very high91.3Very high14 Ų1439.1 Ų39.114%0.14423%0.225CC..Hα-helixtrans-63.1-45.8173.200000112.4A103 L104 Y109 N110 L111A103-G107 PolarHBondContact O-N 3.42Å; L104-G107 PolarHBondContact O-N 3.16Å; G107-Y109 VanDerWaalsContact C-N 3.34Å; G107-Y109 PolarHBondContact O-N 2.99Å; G107-N110 PolarHBondContact O-N 3.48Å; G107-L111 WeakPolarHBondContact O-CG 3.22Å; G107-L111 PolarHBondContact O-N 2.84Å; G107-L111 VanDerWaalsContact O-N 3.09Å
108I97.5Very high92.6Very high1 Ų140.5 Ų40.51%0.00524%0.243CC..Hα-helixtrans-59.3-45.7174-69.2170.3000110.4Y64 T75 L104 L111 E112 L184Y64-I108 HydrophobicContact CD1-CB 4.25Å; Y64-I108 HydrophobicContact CD1-CG1 3.81Å; Y64-I108 HydrophobicContact CD1-CG2 4.17Å; Y64-I108 HydrophobicContact CE1-CB 4.14Å; Y64-I108 HydrophobicContact CE1-CG1 4.16Å; Y64-I108 HydrophobicContact CE1-CG2 3.62Å; Y64-I108 HydrophobicContact CE2-CG2 4.41Å; Y64-I108 HydrophobicContact CG-CG1 4.02Å; T75-I108 HydrophobicContact CG2-CD1 3.89Å; L104-I108 HydrophobicContact CD1-CD1 3.68Å; L104-I108 HydrophobicContact CD1-CG1 4.08Å; L104-I108 HydrophobicContact CG-CD1 3.96Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 2.87Å; I108-L111 PolarHBondContact O-N 3.45Å; I108-E112 PolarHBondContact O-N 3.02Å; I108-E112 VanDerWaalsContact O-N 3.11Å; I108-L184 HydrophobicContact CB-CD2 4.01Å; I108-L184 HydrophobicContact CG2-CD2 3.41Å; I108-L184 VanDerWaalsContact CG2-CD2 3.41Å
109Y97.7Very high93.4Very high0 Ų044.8 Ų44.80%027%0.266CS..Hα-helixtrans-58.6-53.8177.9168.3-91.3000111.4L105 L106 G107 L111 E112 I113 H166 P167 R169 E179 V180 F183L105-Y109 WeakPolarHBondContact O-CB 3.41Å; L105-Y109 PolarHBondContact O-N 2.95Å; L106-Y109 PolarHBondContact O-N 3.26Å; G107-Y109 VanDerWaalsContact C-N 3.34Å; G107-Y109 PolarHBondContact O-N 2.99Å; Y109-L111 PolarHBondContact O-N 2.95Å; Y109-E112 PolarHBondContact O-N 3.29Å; Y109-I113 HydrophobicContact CD1-CD1 4.41Å; Y109-I113 HydrophobicContact CD1-CG2 4.42Å; Y109-I113 HydrophobicContact CD2-CG2 4.05Å; Y109-I113 HydrophobicContact CE1-CD1 3.91Å; Y109-I113 HydrophobicContact CE1-CG2 4.13Å; Y109-I113 HydrophobicContact CE2-CG2 3.76Å; Y109-I113 HydrophobicContact CG-CG2 4.38Å; Y109-I113 WeakPolarHBondContact O-CG1 3.15Å; Y109-I113 WeakPolarHBondContact O-CG2 3.45Å; Y109-I113 PolarHBondContact O-N 3.48Å; Y109-I113 VanDerWaalsContact O-N 3.07Å; Y109-H166 HydrophobicContact CE2-CB 4.47Å; Y109-P167 PolarHBondContact OH-O 2.86Å; Y109-P167 VanDerWaalsContact OH-O 3.09Å; Y109-R169 HydrophobicContact CE1-CB 4.2Å; Y109-R169 HydrophobicContact CE1-CG 3.71Å; Y109-E179 PolarHBondContact OH-OE1 3.41Å; Y109-V180 HydrophobicContact CD1-CG2 4.2Å; Y109-V180 HydrophobicContact CD2-CB 4.05Å; Y109-V180 HydrophobicContact CD2-CG1 3.82Å; Y109-V180 HydrophobicContact CD2-CG2 4.02Å; Y109-V180 HydrophobicContact CE1-CG2 4.09Å; Y109-V180 HydrophobicContact CE2-CB 4.22Å; Y109-V180 HydrophobicContact CE2-CG1 4.48Å; Y109-V180 HydrophobicContact CE2-CG2 3.88Å; Y109-V180 HydrophobicContact CG-CB 4.4Å; Y109-V180 HydrophobicContact CG-CG1 3.83Å; Y109-V180 HydrophobicContact CG-CG2 4.16Å; Y109-F183 HydrophobicContact CD2-CB 4.14Å; Y109-F183 AromaticContact CD2-CD1 3.71Å; Y109-F183 HydrophobicContact CD2-CD1 3.71Å; Y109-F183 HydrophobicContact CD2-CG 4.28Å; Y109-F183 HydrophobicContact CE2-CB 4.02Å; Y109-F183 AromaticContact CE2-CD1 4Å; Y109-F183 HydrophobicContact CE2-CD1 4Å; Y109-F183 HydrophobicContact CE2-CG 4.22Å
110N96.6Very high93.5Very high41 Ų4145.6 Ų45.622%0.21926%0.263CS..Hα-helixtrans-61.2-28.6-178.6-74.2-34000112.8L106 G107 I113 Q168 R169L106-N110 WeakPolarHBondContact O-CB 3.26Å; L106-N110 PolarHBondContact O-N 3.38Å; L106-N110 PolarHBondContact O-ND2 3.08Å; G107-N110 PolarHBondContact O-N 3.48Å; N110-I113 WeakPolarHBondContact O-CG1 3.42Å; N110-Q168 WeakPolarHBondContact OD1-CA 3.47Å; N110-R169 PolarHBondContact ND2-O 3Å; N110-R169 PolarHBondContact OD1-N 3.32Å
111L95.4Very high93.4Very high50 Ų5047 Ų4726%0.26227%0.267SS..Hα-helixtrans-77.5-26.9174.1-75173.5000114.2F61 Y64 R65 G107 I108 Y109 V114F61-L111 HydrophobicContact CD2-CD1 4.43Å; F61-L111 HydrophobicContact CE2-CD1 3.56Å; F61-L111 HydrophobicContact CE2-CG 4.4Å; F61-L111 HydrophobicContact CZ-CD1 4Å; Y64-L111 HydrophobicContact CD1-CD1 4.01Å; Y64-L111 HydrophobicContact CE1-CB 4.41Å; R65-L111 HydrophobicContact CB-CD1 4.29Å; G107-L111 WeakPolarHBondContact O-CG 3.22Å; G107-L111 PolarHBondContact O-N 2.84Å; G107-L111 VanDerWaalsContact O-N 3.09Å; I108-L111 PolarHBondContact O-N 3.45Å; Y109-L111 PolarHBondContact O-N 2.95Å; L111-V114 WeakPolarHBondContact O-CG2 3.38Å
112E94.9Very high93.3Very high26 Ų2650.5 Ų50.512%0.12129%0.285CS..Hα-helixtrans-96.8-17.4-177.1-81.5-64.4141.800114.7Y64 R72 I108 Y109 K121 F183Y64-E112 HydrophobicContact CE1-CG 3.98Å; Y64-E112 VanDerWaalsContact OH-CD 3.29Å; Y64-E112 WeakPolarHBondContact OH-CG 3.47Å; Y64-E112 PolarHBondContact OH-OE1 2.97Å; Y64-E112 VanDerWaalsContact OH-OE1 3.09Å; R72-E112 IonicContact NH1-OE1 3.96Å; R72-E112 PolarHBondContact NH1-OE1 2.89Å; I108-E112 PolarHBondContact O-N 3.02Å; I108-E112 VanDerWaalsContact O-N 3.11Å; Y109-E112 PolarHBondContact O-N 3.29Å; E112-K121 WeakPolarHBondContact O-CD 3.4Å; E112-K121 PolarHBondContact O-NZ 3.39Å; E112-K121 IonicContact OE2-NZ 3.85Å; E112-K121 PolarHBondContact OE2-NZ 3.47Å; E112-F183 HydrophobicContact CB-CE1 3.77Å; E112-F183 HydrophobicContact CB-CZ 4.43Å
113I95.1Very high93.2Very high3 Ų349.2 Ų49.22%0.01528%0.28CS..SBendtrans-75.9-12.3173.659.8167.3000113.1Y109 N110 K121 H166 Q168 F183Y109-I113 HydrophobicContact CD1-CD1 4.41Å; Y109-I113 HydrophobicContact CD1-CG2 4.42Å; Y109-I113 HydrophobicContact CD2-CG2 4.05Å; Y109-I113 HydrophobicContact CE1-CD1 3.91Å; Y109-I113 HydrophobicContact CE1-CG2 4.13Å; Y109-I113 HydrophobicContact CE2-CG2 3.76Å; Y109-I113 HydrophobicContact CG-CG2 4.38Å; Y109-I113 WeakPolarHBondContact O-CG1 3.15Å; Y109-I113 WeakPolarHBondContact O-CG2 3.45Å; Y109-I113 PolarHBondContact O-N 3.48Å; Y109-I113 VanDerWaalsContact O-N 3.07Å; N110-I113 WeakPolarHBondContact O-CG1 3.42Å; I113-K121 WeakPolarHBondContact O-CB 3.4Å; I113-K121 PolarHBondContact O-N 3.46Å; I113-H166 HydrophobicContact CB-CB 3.98Å; I113-H166 HydrophobicContact CG2-CB 3.42Å; I113-H166 VanDerWaalsContact CG2-CB 3.42Å; I113-Q168 HydrophobicContact CD1-CB 4.33Å; I113-Q168 HydrophobicContact CD1-CG 3.7Å; I113-F183 HydrophobicContact CB-CE1 4.35Å; I113-F183 HydrophobicContact CG2-CD1 3.73Å; I113-F183 HydrophobicContact CG2-CE1 3.36Å; I113-F183 HydrophobicContact CG2-CE2 4.48Å; I113-F183 HydrophobicContact CG2-CG 4.43Å; I113-F183 HydrophobicContact CG2-CZ 3.78Å
114V93.1Very high93.1Very high37 Ų3747.9 Ų47.922%0.22427%0.267CS..BIsolated β-bridgetrans-101.7149.6171.9-64.60000111.1L111 N119L111-V114 WeakPolarHBondContact O-CG2 3.38Å; V114-N119 CarbonylContact C-O 3.57Å; V114-N119 VanDerWaalsContact CA-O 3.3Å; V114-N119 WeakPolarHBondContact CA-O 3.36Å
115D86.9Confident93Very high59 Ų5952.6 Ų52.632%0.31629%0.287SS..  trans-85-176170.170.720.9000112D117 G118 N119D115-D117 PolarHBondContact O-N 2.95Å; D115-D117 WeakPolarHBondContact OD1-CA 3.34Å; D115-D117 PolarHBondContact OD1-N 2.7Å; D115-G118 PolarHBondContact O-N 2.96Å; D115-G118 PolarHBondContact OD1-N 3.18Å; D115-N119 PolarHBondContact N-O 3.42Å; D115-N119 PolarHBondContact OD1-N 3.16Å; D115-N119 PolarHBondContact OD1-ND2 3.14Å; D115-N119 WeakPolarHBondContact OD2-CB 3.3Å; D115-N119 PolarHBondContact OD2-ND2 3.48Å
116K84.8Confident92.7Very high206 Ų20655.9 Ų55.990%0.89631%0.308SS*.THydrogen-bonded Turntrans-69.8-19.8-179.2-65.2-173.6178-174.30113.5
117D87.3Confident92.4Very high140 Ų14058.8 Ų58.875%0.74932%0.322SS*.THydrogen-bonded Turntrans-97.5-2.4-178.4-55.6-54.5000111.4D115 N119D115-D117 PolarHBondContact O-N 2.95Å; D115-D117 WeakPolarHBondContact OD1-CA 3.34Å; D115-D117 PolarHBondContact OD1-N 2.7Å; D117-N119 WeakPolarHBondContact CB-ND2 3.4Å
118G87.8Confident91.9Very high54 Ų5463.6 Ų63.656%0.55735%0.351SS*.SBendtrans92.33177.500000115D115D115-G118 PolarHBondContact O-N 2.96Å; D115-G118 PolarHBondContact OD1-N 3.18Å
119N90.1Very high91.2Very high93 Ų9365.3 Ų65.350%0.49736%0.363SS..SBendtrans-84.7157.4179.8-43.3-79000111.5V114 D115 D117 K121V114-N119 CarbonylContact C-O 3.57Å; V114-N119 VanDerWaalsContact CA-O 3.3Å; V114-N119 WeakPolarHBondContact CA-O 3.36Å; D115-N119 PolarHBondContact N-O 3.42Å; D115-N119 PolarHBondContact OD1-N 3.16Å; D115-N119 PolarHBondContact OD1-ND2 3.14Å; D115-N119 WeakPolarHBondContact OD2-CB 3.3Å; D115-N119 PolarHBondContact OD2-ND2 3.48Å; D117-N119 WeakPolarHBondContact CB-ND2 3.4Å; N119-K121 PolarHBondContact O-N 2.84Å
120S91Very high90.4Very high67 Ų6771 Ų7147%0.46939%0.393SS..BIsolated β-bridgetrans-66125.6173.7-60.10000111.7L122S120-L122 PolarHBondContact O-N 3.47Å
121K90.5Very high89.4Confident55 Ų5569.8 Ų69.824%0.23939%0.388CS..  trans-76.7113.9-173.2-172.6-178.2-175.21750111.3E112 I113 N119 L123E112-K121 WeakPolarHBondContact O-CD 3.4Å; E112-K121 PolarHBondContact O-NZ 3.39Å; E112-K121 IonicContact OE2-NZ 3.85Å; E112-K121 PolarHBondContact OE2-NZ 3.47Å; I113-K121 WeakPolarHBondContact O-CB 3.4Å; I113-K121 PolarHBondContact O-N 3.46Å; N119-K121 PolarHBondContact O-N 2.84Å; K121-L123 HydrophobicContact CG-CD2 4.1Å
122L91.4Very high88.7Confident73 Ų7369.6 Ų69.638%0.38239%0.385SS..  trans-97.4117.4175.9-174.265.7000111.1S120 V161 L165S120-L122 PolarHBondContact O-N 3.47Å; L122-V161 HydrophobicContact CD1-CG1 3.62Å; L122-V161 HydrophobicContact CD1-CG2 4.03Å; L122-V161 HydrophobicContact CD2-CG2 4.28Å; L122-V161 HydrophobicContact CG-CG1 4.48Å; L122-V161 HydrophobicContact CG-CG2 4.32Å; L122-L165 HydrophobicContact CB-CD2 3.8Å; L122-L165 HydrophobicContact CD1-CD2 3.99Å; L122-L165 HydrophobicContact CD1-CG 4.3Å; L122-L165 HydrophobicContact CG-CD2 4.44Å
123L92.5Very high88.3Confident33 Ų3372.7 Ų72.717%0.17341%0.407CS..EExtended strand (participates in β ladder)trans-96.9113.8179.7-60-177.5000111.2K121 Y162 S163 F183 L186K121-L123 HydrophobicContact CG-CD2 4.1Å; L123-Y162 HydrophobicContact CB-CD1 4.34Å; L123-Y162 HydrophobicContact CB-CE1 3.78Å; L123-Y162 HydrophobicContact CB-CE2 4.07Å; L123-Y162 HydrophobicContact CD1-CE2 4.36Å; L123-Y162 WeakPolarHBondContact O-CD1 3.47Å; L123-Y162 PolarHBondContact O-N 3.45Å; L123-S163 PolarHBondContact N-O 2.96Å; L123-S163 PolarHBondContact O-N 3.1Å; L123-F183 HydrophobicContact CD1-CE2 4.3Å; L123-L186 HydrophobicContact CD1-CD2 3.73Å; L123-L186 HydrophobicContact CD1-CG 4.48Å
124S94.1Very high87.9Confident34 Ų3475 Ų7524%0.23842%0.424CS..EExtended strand (participates in β ladder)trans-142.4150.8-175.866.10000111.8R159 V160S124-R159 VanDerWaalsContact OG-CZ 3.29Å; S124-R159 PolarHBondContact OG-NE 2.92Å; S124-R159 PolarHBondContact OG-NH2 3.28Å; S124-V160 CarbonylContact C-O 3.59Å; S124-V160 WeakPolarHBondContact CA-O 3.47Å; S124-V160 VanDerWaalsContact CB-O 3.31Å; S124-V160 WeakPolarHBondContact CB-O 3.4Å
125F93.7Very high87.9Confident103 Ų10380.5 Ų80.545%0.45245%0.45SS..EExtended strand (participates in β ladder)trans-130.9169167.470-86.6000110.4I127 R159 V160 Y162F125-I127 HydrophobicContact CE2-CG1 3.92Å; F125-R159 CarbonylContact O-C 3.59Å; F125-R159 WeakPolarHBondContact O-CA 3.3Å; F125-V160 HydrophobicContact CE1-CB 4.37Å; F125-V160 HydrophobicContact CE1-CG1 4.43Å; F125-V160 HydrophobicContact CZ-CB 4.34Å; F125-V160 PolarHBondContact N-O 3.44Å; F125-V160 PolarHBondContact O-N 3.23Å; F125-Y162 AromaticContact CD1-CD1 3.67Å; F125-Y162 HydrophobicContact CD1-CD1 3.67Å; F125-Y162 HydrophobicContact CD1-CE1 4.24Å; F125-Y162 HydrophobicContact CD1-CG 4.38Å; F125-Y162 HydrophobicContact CE1-CD1 4.23Å
126T93.3Very high88Confident69 Ų6987.4 Ų87.442%0.42347%0.473SS..EExtended strand (participates in β ladder)trans-107.1126178.1-60.50000109.1P128 L157T126-P128 VanDerWaalsContact O-CD 3.31Å; T126-P128 WeakPolarHBondContact O-CD 3.43Å; T126-L157 HydrophobicContact CG2-CB 3.56Å; T126-L157 HydrophobicContact CG2-CD1 4.2Å; T126-L157 HydrophobicContact CG2-CD2 4.17Å; T126-L157 HydrophobicContact CG2-CG 4.19Å
127I89.3Confident88.1Confident76 Ų7679.6 Ų79.639%0.3944%0.44SS..  trans-66.4121.8176.7-65.1175.6000108.8F125 I158 V160F125-I127 HydrophobicContact CE2-CG1 3.92Å; I127-I158 HydrophobicContact CD1-CB 4.42Å; I127-I158 HydrophobicContact CD1-CG2 4.29Å; I127-I158 PolarHBondContact N-O 3.33Å; I127-V160 HydrophobicContact CD1-CG2 3.61Å; I127-V160 HydrophobicContact CG1-CG2 3.96Å
128P87.8Confident88Confident115 Ų11578.2 Ų78.275%0.74743%0.429SS*.  trans-64.6141.8174.5-20.633.7000111.4T126T126-P128 VanDerWaalsContact O-CD 3.31Å; T126-P128 WeakPolarHBondContact O-CD 3.43Å
129S82Confident87.5Confident37 Ų3776.3 Ų76.326%0.25941%0.407SS..  trans-117.6133.6175.7177.90000110.6S131 K132S129-S131 PolarHBondContact O-N 3.12Å; S129-S131 PolarHBondContact OG-N 2.95Å; S129-K132 PolarHBondContact O-N 3.44Å; S129-K132 VanDerWaalsContact O-O 3.12Å
130L79.9Confident86.8Confident120 Ų12076.7 Ų76.763%0.62842%0.417SS*.THydrogen-bonded Turntrans-67.7-21.8172.9-67.6176.9000112.4K132 H137 L142L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 PolarHBondContact O-N 3.36Å; L130-H137 PolarHBondContact O-NE2 3.31Å; L130-L142 HydrophobicContact CB-CD1 4.17Å
131S76.8Confident86Confident16 Ų1677.8 Ų77.811%0.11243%0.425CS..THydrogen-bonded Turntrans-76.4-11.7176.8-46.30000113.2S129 P139 L152 C153S129-S131 PolarHBondContact O-N 3.12Å; S129-S131 PolarHBondContact OG-N 2.95Å; S131-P139 WeakPolarHBondContact O-CG 3.37Å; S131-L152 WeakPolarHBondContact OG-CB 3.39Å; S131-C153 PolarHBondContact O-SG 3.5Å
132K81.1Confident85Confident46 Ų4679.4 Ų79.420%0.244%0.435CS..SBendtrans-110.8140.9176.7-66.3-176.7-178.51790109.6S129 L130 H137 H155 L157S129-K132 PolarHBondContact O-N 3.44Å; S129-K132 VanDerWaalsContact O-O 3.12Å; L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 PolarHBondContact O-N 3.36Å; K132-H137 PolarHBondContact O-CE1 3.39Å; K132-H137 PolarHBondContact O-NE2 3.03Å; K132-H155 WeakPolarHBondContact CE-O 3.3Å; K132-H155 PolarHBondContact NZ-O 3.49Å; K132-L157 HydrophobicContact CD-CD1 4.47Å; K132-L157 HydrophobicContact CD-CD2 3.81Å; K132-L157 HydrophobicContact CD-CG 3.81Å
133P85.3Confident83.8Confident90 Ų9077.6 Ų77.658%0.58444%0.435SS*.  trans-62.5144.4178.726.5-34.2000110.8P139P133-P139 HydrophobicContact CB-CG 4.45Å
134S88.1Confident82.2Confident53 Ų5380.1 Ų80.137%0.37146%0.455SS..  trans-134.5171.8179.7840000110.8Y136 H137S134-Y136 PolarHBondContact O-N 3.06Å; S134-Y136 PolarHBondContact OG-N 3.35Å; S134-Y136 VanDerWaalsContact OG-N 3.07Å; S134-H137 PolarHBondContact N-O 2.8Å; S134-H137 PolarHBondContact O-N 2.99Å; S134-H137 PolarHBondContact OG-CE1 3.04Å; S134-H137 PolarHBondContact OG-N 3.33Å; S134-H137 PolarHBondContact OG-ND1 3.09Å
135I92.5Very high80.4Confident151 Ų15186 Ų8677%0.77448%0.481SS*.SBendtrans-62.3-8.5172.362.6172.7000113.9
136Y89.8Confident78.5Confident205 Ų20583 Ų8380%0.80448%0.475SS*.SBendtrans-114.5-20.8-178-56.4-58.5000114.4S134S134-Y136 PolarHBondContact O-N 3.06Å; S134-Y136 PolarHBondContact OG-N 3.35Å; S134-Y136 VanDerWaalsContact OG-N 3.07Å
137H85.1Confident76.4Confident42 Ų4287 Ų8719%0.19449%0.493CS..  trans-155.2152.2-17484-76000113.4L130 K132 S134L130-H137 PolarHBondContact O-NE2 3.31Å; K132-H137 PolarHBondContact O-CE1 3.39Å; K132-H137 PolarHBondContact O-NE2 3.03Å; S134-H137 PolarHBondContact N-O 2.8Å; S134-H137 PolarHBondContact O-N 2.99Å; S134-H137 PolarHBondContact OG-CE1 3.04Å; S134-H137 PolarHBondContact OG-N 3.33Å; S134-H137 PolarHBondContact OG-ND1 3.09Å
138E85.1Confident74.9Confident110 Ų11087.2 Ų87.251%0.51450%0.498SS..  trans-106.4128.2169.7-169.761.9-127.400108.7S140 S141E138-S140 VanDerWaalsContact C-N 3.26Å; E138-S140 PolarHBondContact O-N 3.32Å; E138-S141 WeakPolarHBondContact O-CB 3.44Å; E138-S141 PolarHBondContact O-N 3.43Å; E138-S141 PolarHBondContact O-OG 3.2Å
139P78.4Confident73.3Confident14 Ų1485.4 Ų85.49%0.09148%0.479CS..G310 helixtrans-58.6-37.6-173.5-25.236.7000112.7S131 P133 S141 L142S131-P139 WeakPolarHBondContact O-CG 3.37Å; P133-P139 HydrophobicContact CB-CG 4.45Å; P139-S141 PolarHBondContact O-N 2.98Å; P139-L142 WeakPolarHBondContact O-CB 3.49Å; P139-L142 PolarHBondContact O-N 3.31Å
140S75.6Confident72.1Confident101 Ų10186 Ų8671%0.70649%0.491SS*.G310 helixtrans-58.7-18.5177.6-47.30000114.4E138E138-S140 VanDerWaalsContact C-N 3.26Å; E138-S140 PolarHBondContact O-N 3.32Å
141S73.8Confident70.9Confident91 Ų9182.7 Ų82.764%0.63648%0.481SS*.G310 helixtrans-78-1817770.70000114.3E138 P139 G143E138-S141 WeakPolarHBondContact O-CB 3.44Å; E138-S141 PolarHBondContact O-N 3.43Å; E138-S141 PolarHBondContact O-OG 3.2Å; P139-S141 PolarHBondContact O-N 2.98Å; S141-G143 VanDerWaalsContact C-N 3.32Å; S141-G143 PolarHBondContact O-N 3.41Å
142L69.9Low69.9Low88 Ų8885.9 Ų85.946%0.46150%0.497SS..G310 helixtrans-81.6-10.4-176.1-70.5159.8000113.4L130 P139L130-L142 HydrophobicContact CB-CD1 4.17Å; P139-L142 WeakPolarHBondContact O-CB 3.49Å; P139-L142 PolarHBondContact O-N 3.31Å
143G65.6Low68.6Low36 Ų3686.1 Ų86.137%0.37150%0.504SS..  trans70.4170178.800000114.3S141 M145 A146S141-G143 VanDerWaalsContact C-N 3.32Å; S141-G143 PolarHBondContact O-N 3.41Å; G143-M145 PolarHBondContact O-N 2.97Å; G143-A146 PolarHBondContact O-N 3.13Å
144S59.5Low67.1Low86 Ų8689.7 Ų89.760%0.60151%0.512SS*.THydrogen-bonded Turntrans-68.722-175.1-50.90000115.5A146 L147S144-A146 VanDerWaalsContact C-N 3.28Å; S144-L147 VanDerWaalsContact O-CD2 3.25Å; S144-L147 WeakPolarHBondContact O-CD2 3.24Å; S144-L147 VanDerWaalsContact O-CG 3.25Å; S144-L147 WeakPolarHBondContact O-CG 3.5Å
145M55Low65.7Low158 Ų15893 Ų9378%0.77852%0.522SS*.THydrogen-bonded Turntrans-79.4-12.6163.2-77.5-168.262.600112.4G143 L147G143-M145 PolarHBondContact O-N 2.97Å; M145-L147 PolarHBondContact O-N 3.03Å
146A55.2Low64.4Low39 Ų3992.5 Ų92.532%0.32252%0.521SS..  trans-75.157164.600000111.8G143 S144 T148 E149G143-A146 PolarHBondContact O-N 3.13Å; S144-A146 VanDerWaalsContact C-N 3.28Å; A146-T148 PolarHBondContact O-N 3.42Å; A146-E149 HydrophobicContact CB-CB 4.18Å; A146-E149 WeakPolarHBondContact O-CB 3.47Å; A146-E149 PolarHBondContact O-N 3.05Å
147L47.7Very low63.7Low153 Ų15386.9 Ų86.980%0.80150%0.504SS*.THydrogen-bonded Turntrans-70.522.4-179-68.7179.4000115S144 M145S144-L147 VanDerWaalsContact O-CD2 3.25Å; S144-L147 WeakPolarHBondContact O-CD2 3.24Å; S144-L147 VanDerWaalsContact O-CG 3.25Å; S144-L147 WeakPolarHBondContact O-CG 3.5Å; M145-L147 PolarHBondContact O-N 3.03Å
148T58.3Low63.7Low81 Ų8189.7 Ų89.750%0.49752%0.52SS..THydrogen-bonded Turntrans-134.814.2166.254.20000112.1A146 G150 A151 L152A146-T148 PolarHBondContact O-N 3.42Å; T148-G150 VanDerWaalsContact C-N 3.28Å; T148-G150 PolarHBondContact O-N 3.02Å; T148-A151 CarbonylContact O-C 3.53Å; T148-A151 WeakPolarHBondContact O-CA 3.4Å; T148-A151 PolarHBondContact O-N 2.9Å; T148-L152 PolarHBondContact O-N 2.97Å; T148-L152 VanDerWaalsContact OG1-CD1 3.31Å; T148-L152 WeakPolarHBondContact OG1-CD1 3.32Å
149E55.4Low63.9Low76 Ų7692 Ų9236%0.35552%0.524SS..Hα-helixtrans-49.7-45.4-177.7-174.6175.4-166.700112.3A146 A151 L152 C153A146-E149 HydrophobicContact CB-CB 4.18Å; A146-E149 WeakPolarHBondContact O-CB 3.47Å; A146-E149 PolarHBondContact O-N 3.05Å; E149-A151 PolarHBondContact O-N 3.27Å; E149-L152 PolarHBondContact O-N 2.74Å; E149-C153 WeakPolarHBondContact O-CB 3.17Å; E149-C153 PolarHBondContact O-N 3.34Å; E149-C153 PolarHBondContact O-SG 3.42Å
150G55.1Low64.6Low50 Ų5093.7 Ų93.752%0.51553%0.534SS..Hα-helixtrans-60.9-38.417500000114.4T148 Q154T148-G150 VanDerWaalsContact C-N 3.28Å; T148-G150 PolarHBondContact O-N 3.02Å; G150-Q154 WeakPolarHBondContact O-CG 3.34Å; G150-Q154 PolarHBondContact O-N 2.95Å; G150-Q154 PolarHBondContact O-NE2 3.35Å
151A55.5Low65.4Low51 Ų5192.4 Ų92.442%0.42152%0.521SS..Hα-helixtrans-78.7-32.617900000112.7T148 E149 H155T148-A151 CarbonylContact O-C 3.53Å; T148-A151 WeakPolarHBondContact O-CA 3.4Å; T148-A151 PolarHBondContact O-N 2.9Å; E149-A151 PolarHBondContact O-N 3.27Å; A151-H155 PolarHBondContact O-CD2 3.03Å
152L55.2Low66.2Low82 Ų8293.9 Ų93.943%0.42951%0.514SS..Hα-helixtrans-83.8-29.2179-68.3178.4000113.3S131 T148 E149 Q154 H155S131-L152 WeakPolarHBondContact OG-CB 3.39Å; T148-L152 PolarHBondContact O-N 2.97Å; T148-L152 VanDerWaalsContact OG1-CD1 3.31Å; T148-L152 WeakPolarHBondContact OG1-CD1 3.32Å; E149-L152 PolarHBondContact O-N 2.74Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-H155 PolarHBondContact O-N 3.39Å
153C54.4Low67.3Low52 Ų5290.4 Ų90.435%0.35150%0.497SS..Hα-helixtrans-67.6-32.4169.9-76.30000112.3S131 E149 H155S131-C153 PolarHBondContact O-SG 3.5Å; E149-C153 WeakPolarHBondContact O-CB 3.17Å; E149-C153 PolarHBondContact O-N 3.34Å; E149-C153 PolarHBondContact O-SG 3.42Å; C153-H155 VanDerWaalsContact C-N 3.3Å; C153-H155 PolarHBondContact O-N 3.05Å
154Q53.1Low68.4Low164 Ų16490.2 Ų90.277%0.76650%0.495SS*.SBendtrans-68.5-24.4177.1-79.6169.11500113.5G150 L152 D156G150-Q154 WeakPolarHBondContact O-CG 3.34Å; G150-Q154 PolarHBondContact O-N 2.95Å; G150-Q154 PolarHBondContact O-NE2 3.35Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; Q154-D156 PolarHBondContact O-N 2.97Å
155H59.3Low69.8Low123 Ų12391.5 Ų91.557%0.56950%0.495SS*.SBendtrans-74.6126.5169.8-72.9-66.6000110K132 A151 L152 C153K132-H155 WeakPolarHBondContact CE-O 3.3Å; K132-H155 PolarHBondContact NZ-O 3.49Å; A151-H155 PolarHBondContact O-CD2 3.03Å; L152-H155 PolarHBondContact O-N 3.39Å; C153-H155 VanDerWaalsContact C-N 3.3Å; C153-H155 PolarHBondContact O-N 3.05Å
156D64.4Low71.7Confident141 Ų14185.2 Ų85.275%0.75446%0.463SS*.  trans-57.8156.3168.1-89.4-41.6000111.3Q154 I158Q154-D156 PolarHBondContact O-N 2.97Å; D156-I158 PolarHBondContact O-N 2.97Å
157L76.8Confident73.5Confident86 Ų8686.5 Ų86.545%0.4547%0.468SS..  trans-60.3111.1178-83.3174.4000109.3T126 K132 R159T126-L157 HydrophobicContact CG2-CB 3.56Å; T126-L157 HydrophobicContact CG2-CD1 4.2Å; T126-L157 HydrophobicContact CG2-CD2 4.17Å; T126-L157 HydrophobicContact CG2-CG 4.19Å; K132-L157 HydrophobicContact CD-CD1 4.47Å; K132-L157 HydrophobicContact CD-CD2 3.81Å; K132-L157 HydrophobicContact CD-CG 3.81Å; L157-R159 PolarHBondContact O-N 3.32Å
158I84.2Confident75.8Confident102 Ų10286.1 Ų86.152%0.52346%0.462SS..  trans-66.8110.3-173.6-56.6176.7000109.1I127 D156 V160I127-I158 HydrophobicContact CD1-CB 4.42Å; I127-I158 HydrophobicContact CD1-CG2 4.29Å; I127-I158 PolarHBondContact N-O 3.33Å; D156-I158 PolarHBondContact O-N 2.97Å; I158-V160 HydrophobicContact CG2-CG2 4Å
159R89.3Confident77.5Confident157 Ų15785.5 Ų85.559%0.59245%0.451SS*.EExtended strand (participates in β ladder)trans-85120.3170.8-173.3-179.4178-156.30.5108.9S124 F125 L157S124-R159 VanDerWaalsContact OG-CZ 3.29Å; S124-R159 PolarHBondContact OG-NE 2.92Å; S124-R159 PolarHBondContact OG-NH2 3.28Å; F125-R159 CarbonylContact O-C 3.59Å; F125-R159 WeakPolarHBondContact O-CA 3.3Å; L157-R159 PolarHBondContact O-N 3.32Å
160V92.3Very high79.4Confident50 Ų5090.8 Ų90.830%0.30348%0.476SS..EExtended strand (participates in β ladder)trans-107.8129.3177.8177.80000109.3S124 F125 I127 I158S124-V160 CarbonylContact C-O 3.59Å; S124-V160 WeakPolarHBondContact CA-O 3.47Å; S124-V160 VanDerWaalsContact CB-O 3.31Å; S124-V160 WeakPolarHBondContact CB-O 3.4Å; F125-V160 HydrophobicContact CE1-CB 4.37Å; F125-V160 HydrophobicContact CE1-CG1 4.43Å; F125-V160 HydrophobicContact CZ-CB 4.34Å; F125-V160 PolarHBondContact N-O 3.44Å; F125-V160 PolarHBondContact O-N 3.23Å; I127-V160 HydrophobicContact CD1-CG2 3.61Å; I127-V160 HydrophobicContact CG1-CG2 3.96Å; I158-V160 HydrophobicContact CG2-CG2 4Å
161V93.6Very high81.2Confident74 Ų7492.7 Ų92.745%0.44848%0.478SS..EExtended strand (participates in β ladder)trans-84124.9166.9177.10000107.7L122 S163L122-V161 HydrophobicContact CD1-CG1 3.62Å; L122-V161 HydrophobicContact CD1-CG2 4.03Å; L122-V161 HydrophobicContact CD2-CG2 4.28Å; L122-V161 HydrophobicContact CG-CG1 4.48Å; L122-V161 HydrophobicContact CG-CG2 4.32Å; V161-S163 WeakPolarHBondContact CG1-O 3.44Å
162Y90.9Very high83Confident122 Ų12291.6 Ų91.648%0.47846%0.463SS..EExtended strand (participates in β ladder)trans-114.4-12.9178.273.7-87.9000112.7L123 F125 L186L123-Y162 HydrophobicContact CB-CD1 4.34Å; L123-Y162 HydrophobicContact CB-CE1 3.78Å; L123-Y162 HydrophobicContact CB-CE2 4.07Å; L123-Y162 HydrophobicContact CD1-CE2 4.36Å; L123-Y162 WeakPolarHBondContact O-CD1 3.47Å; L123-Y162 PolarHBondContact O-N 3.45Å; F125-Y162 AromaticContact CD1-CD1 3.67Å; F125-Y162 HydrophobicContact CD1-CD1 3.67Å; F125-Y162 HydrophobicContact CD1-CE1 4.24Å; F125-Y162 HydrophobicContact CD1-CG 4.38Å; F125-Y162 HydrophobicContact CE1-CD1 4.23Å; Y162-L186 HydrophobicContact CE2-CD1 4.17Å; Y162-L186 HydrophobicContact CE2-CD2 4.13Å
163S92.1Very high84.8Confident16 Ų1690.5 Ų90.511%0.11246%0.46CS..EExtended strand (participates in β ladder)trans-141.1123.4159.9-141.40000108.5L123 V161 H166L123-S163 PolarHBondContact N-O 2.96Å; L123-S163 PolarHBondContact O-N 3.1Å; V161-S163 WeakPolarHBondContact CG1-O 3.44Å; S163-H166 PolarHBondContact OG-NE2 3.45Å
164G88.1Confident86.5Confident32 Ų3291.5 Ų91.533%0.3347%0.472SS..  trans-75.3-167.6-17500000113.8H166G164-H166 PolarHBondContact O-CD2 3.49Å; G164-H166 PolarHBondContact O-N 2.93Å
165L90.8Very high88.3Confident112 Ų11292.3 Ų92.359%0.58648%0.476SS*.  trans-76.3115.8169.9-56.5-178.2000108.8L122L122-L165 HydrophobicContact CB-CD2 3.8Å; L122-L165 HydrophobicContact CD1-CD2 3.99Å; L122-L165 HydrophobicContact CD1-CG 4.3Å; L122-L165 HydrophobicContact CG-CD2 4.44Å
166H93.4Very high90Very high27 Ų2786.9 Ų86.913%0.12545%0.451CS..PPolyproline II helixtrans-91.2128.7-179.5-72.6-86.5000110.6Y109 I113 S163 G164 F183Y109-H166 HydrophobicContact CE2-CB 4.47Å; I113-H166 HydrophobicContact CB-CB 3.98Å; I113-H166 HydrophobicContact CG2-CB 3.42Å; I113-H166 VanDerWaalsContact CG2-CB 3.42Å; S163-H166 PolarHBondContact OG-NE2 3.45Å; G164-H166 PolarHBondContact O-CD2 3.49Å; G164-H166 PolarHBondContact O-N 2.93Å; H166-F183 AromaticContact CD2-CD2 3.54Å; H166-F183 AromaticContact CD2-CE2 3.67Å; H166-F183 AromaticContact CE1-CD2 3.9Å; H166-F183 AromaticContact NE2-CD2 3.37Å; H166-F183 WeakPolarHBondContact NE2-CD2 3.29Å; H166-F183 AromaticContact NE2-CE2 3.89Å
167P93.9Very high91.4Very high66 Ų6682.8 Ų82.843%0.42943%0.425SS..PPolyproline II helixtrans-78.4144.8178.831.8-34.2000111.6Y109Y109-P167 PolarHBondContact OH-O 2.86Å; Y109-P167 VanDerWaalsContact OH-O 3.09Å
168Q94.8Very high92.4Very high144 Ų14479.7 Ų79.767%0.67341%0.408SS*.PPolyproline II helixtrans-58.5143.6171.9-74178.4-1.800111.4N110 I113N110-Q168 WeakPolarHBondContact OD1-CA 3.47Å; I113-Q168 HydrophobicContact CD1-CB 4.33Å; I113-Q168 HydrophobicContact CD1-CG 3.7Å
169R95.7Very high92.9Very high68 Ų6877.9 Ų77.926%0.25740%0.397SS..  trans-127.8130-176.8-58.8-56.7-167.6159.7-1.1110.6L106 Y109 N110 E179 V180L106-R169 HydrophobicContact CD1-CB 3.74Å; L106-R169 WeakPolarHBondContact CD2-O 3.26Å; L106-R169 WeakPolarHBondContact CG-O 3.4Å; Y109-R169 HydrophobicContact CE1-CB 4.2Å; Y109-R169 HydrophobicContact CE1-CG 3.71Å; N110-R169 PolarHBondContact ND2-O 3Å; N110-R169 PolarHBondContact OD1-N 3.32Å; R169-E179 IonicContact CZ-OE1 3.39Å; R169-E179 IonicContact CZ-OE2 3.9Å; R169-E179 IonicContact NE-OE1 3.21Å; R169-E179 PolarHBondContact NE-OE1 2.68Å; R169-E179 IonicContact NH2-OE1 2.74Å; R169-E179 PolarHBondContact NH2-OE1 2.57Å; R169-E179 IonicContact NH2-OE2 2.77Å; R169-E179 PolarHBondContact NH2-OE2 3.07Å; R169-V180 HydrophobicContact CG-CG2 4.17Å
170E94.2Very high93.3Very high187 Ų18770.4 Ų70.487%0.87437%0.369SS*.SBendtrans-89.9-26.9178.1-62.6-179.1169.400113.5L106L106-E170 VanDerWaalsContact CD2-O 3.26Å; L106-E170 WeakPolarHBondContact CD2-O 3.41Å
171T93.9Very high93.6Very high91 Ų9168 Ų6856%0.55836%0.355SS*.SBendtrans-144.7154.7-179.855.30000112.5N176T171-N176 PolarHBondContact O-ND2 3.4Å
172F93.6Very high93.8Very high27 Ų2765.2 Ų65.212%0.11834%0.338CS..  trans-75.1132.7166.9-85.7-74.9000111.1Y86 E102 L105 L106 R177 V180Y86-F172 HydrophobicContact CE2-CD1 4.4Å; Y86-F172 HydrophobicContact CE2-CD2 4.19Å; Y86-F172 HydrophobicContact CE2-CE2 4.45Å; Y86-F172 HydrophobicContact CE2-CG 4.16Å; Y86-F172 AromaticContact CZ-CD1 3.98Å; Y86-F172 WeakPolarHBondContact OH-CD1 3.39Å; E102-F172 HydrophobicContact CB-CD2 3.87Å; E102-F172 HydrophobicContact CB-CE2 4.27Å; E102-F172 HydrophobicContact CG-CD2 3.83Å; E102-F172 HydrophobicContact CG-CE2 4.36Å; E102-F172 WeakPolarHBondContact O-CE2 3.36Å; L105-F172 HydrophobicContact CB-CE2 4.04Å; L105-F172 HydrophobicContact CB-CZ 3.97Å; L106-F172 HydrophobicContact CB-CE2 4.04Å; L106-F172 HydrophobicContact CD1-CD2 4.49Å; L106-F172 HydrophobicContact CD1-CE2 4.28Å; L106-F172 HydrophobicContact CD1-CZ 4.48Å; F172-R177 HydrophobicContact CD1-CB 3.75Å; F172-R177 HydrophobicContact CE1-CB 4.21Å; F172-V180 HydrophobicContact CE1-CB 3.88Å; F172-V180 HydrophobicContact CE1-CG1 3.62Å; F172-V180 HydrophobicContact CE1-CG2 4.43Å; F172-V180 HydrophobicContact CZ-CB 4.38Å; F172-V180 HydrophobicContact CZ-CG1 3.61Å
173T92.4Very high94.1Very high59 Ų5959.5 Ų59.536%0.36232%0.316SS..  trans-127.2167.5176.369.60000110.1Q175 N176 R177T173-Q175 PolarHBondContact O-N 2.89Å; T173-Q175 VanDerWaalsContact O-N 3.15Å; T173-Q175 PolarHBondContact OG1-N 3.02Å; T173-N176 WeakPolarHBondContact CA-OD1 3.46Å; T173-N176 PolarHBondContact N-OD1 2.93Å; T173-N176 PolarHBondContact O-OD1 3.49Å; T173-N176 PolarHBondContact OG1-N 3.02Å; T173-N176 VanDerWaalsContact OG1-N 3.12Å; T173-N176 PolarHBondContact OG1-OD1 2.93Å; T173-R177 WeakPolarHBondContact O-CB 3.42Å; T173-R177 WeakPolarHBondContact O-CG 3.28Å; T173-R177 PolarHBondContact O-N 3.17Å
174A89.5Confident94.4Very high73 Ų7358.8 Ų58.860%0.60331%0.31SS*.THydrogen-bonded Turntrans-60.8-24.7177.600000113.7R177A174-R177 PolarHBondContact O-NE 3.21Å; A174-R177 PolarHBondContact O-NH2 2.81Å
175Q91.7Very high94.9Very high182 Ų18257.2 Ų57.285%0.8530%0.295SS*.THydrogen-bonded Turntrans-92.9-53-175.7-66.5172.3-15.300112.1T173 R177T173-Q175 PolarHBondContact O-N 2.89Å; T173-Q175 VanDerWaalsContact O-N 3.15Å; T173-Q175 PolarHBondContact OG1-N 3.02Å; Q175-R177 PolarHBondContact O-N 3.2Å
176N94.6Very high95.2Very high8 Ų853 Ų534%0.04327%0.273CS..THydrogen-bonded Turntrans-77.5-15.8-174.372-2.4000114.7T171 T173 F178 E179 V180T171-N176 PolarHBondContact O-ND2 3.4Å; T173-N176 WeakPolarHBondContact CA-OD1 3.46Å; T173-N176 PolarHBondContact N-OD1 2.93Å; T173-N176 PolarHBondContact O-OD1 3.49Å; T173-N176 PolarHBondContact OG1-N 3.02Å; T173-N176 VanDerWaalsContact OG1-N 3.12Å; T173-N176 PolarHBondContact OG1-OD1 2.93Å; N176-F178 VanDerWaalsContact C-N 3.3Å; N176-F178 PolarHBondContact O-N 3.33Å; N176-E179 WeakPolarHBondContact O-CB 3.27Å; N176-E179 PolarHBondContact O-N 2.99Å; N176-V180 WeakPolarHBondContact O-CG2 3.44Å; N176-V180 PolarHBondContact O-N 3.21Å
177R94.4Very high95.3Very high55 Ų5552.1 Ų52.121%0.20827%0.269CS..Hα-helixtrans-57.4-38.4-172.861.2-173156.5178.2-6.1113.9F172 T173 A174 Q175 L181F172-R177 HydrophobicContact CD1-CB 3.75Å; F172-R177 HydrophobicContact CE1-CB 4.21Å; T173-R177 WeakPolarHBondContact O-CB 3.42Å; T173-R177 WeakPolarHBondContact O-CG 3.28Å; T173-R177 PolarHBondContact O-N 3.17Å; A174-R177 PolarHBondContact O-NE 3.21Å; A174-R177 PolarHBondContact O-NH2 2.81Å; Q175-R177 PolarHBondContact O-N 3.2Å; R177-L181 VanDerWaalsContact O-CB 3.3Å; R177-L181 WeakPolarHBondContact O-CB 3.49Å; R177-L181 WeakPolarHBondContact O-CG 3.27Å; R177-L181 PolarHBondContact O-N 3.23Å
178F96.6Very high95.5Very high21 Ų2149 Ų499%0.09225%0.249CC..Hα-helixtrans-80.8-28.3179.8-83.7-66.5000113.5L87 N176 L181 C182 L231 L232 D233 F236L87-F178 HydrophobicContact CD2-CE1 4.32Å; L87-F178 HydrophobicContact CD2-CZ 3.85Å; N176-F178 VanDerWaalsContact C-N 3.3Å; N176-F178 PolarHBondContact O-N 3.33Å; F178-L181 HydrophobicContact CD1-CB 4.48Å; F178-L181 HydrophobicContact CD1-CD1 4.29Å; F178-L181 HydrophobicContact CE1-CD1 4.1Å; F178-C182 WeakPolarHBondContact O-CA 3.33Å; F178-C182 WeakPolarHBondContact O-CB 3.3Å; F178-C182 PolarHBondContact O-N 2.84Å; F178-L231 VanDerWaalsContact CE2-O 3.23Å; F178-L231 WeakPolarHBondContact CE2-O 3.48Å; F178-L231 WeakPolarHBondContact CZ-O 3.19Å; F178-L232 HydrophobicContact CE1-CD2 4.25Å; F178-L232 HydrophobicContact CZ-CD2 4.17Å; F178-D233 HydrophobicContact CB-CB 3.55Å; F178-D233 HydrophobicContact CD1-CB 3.64Å; F178-D233 HydrophobicContact CD2-CB 4.05Å; F178-D233 HydrophobicContact CE1-CB 4.42Å; F178-D233 HydrophobicContact CG-CB 3.45Å; F178-D233 VanDerWaalsContact CG-CB 3.45Å; F178-F236 HydrophobicContact CD1-CB 3.87Å; F178-F236 HydrophobicContact CD1-CD1 4.33Å; F178-F236 HydrophobicContact CD1-CD2 4.28Å; F178-F236 AromaticContact CD1-CG 3.9Å; F178-F236 HydrophobicContact CD1-CG 3.9Å; F178-F236 HydrophobicContact CE1-CB 4.31Å; F178-F236 AromaticContact CE1-CD1 3.95Å; F178-F236 HydrophobicContact CE1-CD1 3.95Å; F178-F236 HydrophobicContact CE1-CD2 4.46Å; F178-F236 HydrophobicContact CE1-CE1 4.42Å; F178-F236 AromaticContact CE1-CG 3.98Å; F178-F236 HydrophobicContact CE1-CG 3.98Å
179E95.8Very high95.7Very high65 Ų6543 Ų4330%0.30422%0.222SC..Hα-helixtrans-58.3-50.1166.5179.4-167.2122.300110.4Y109 R169 N176 F183Y109-E179 PolarHBondContact OH-OE1 3.41Å; R169-E179 IonicContact CZ-OE1 3.39Å; R169-E179 IonicContact CZ-OE2 3.9Å; R169-E179 IonicContact NE-OE1 3.21Å; R169-E179 PolarHBondContact NE-OE1 2.68Å; R169-E179 IonicContact NH2-OE1 2.74Å; R169-E179 PolarHBondContact NH2-OE1 2.57Å; R169-E179 IonicContact NH2-OE2 2.77Å; R169-E179 PolarHBondContact NH2-OE2 3.07Å; N176-E179 WeakPolarHBondContact O-CB 3.27Å; N176-E179 PolarHBondContact O-N 2.99Å; E179-F183 WeakPolarHBondContact O-CB 3.07Å; E179-F183 PolarHBondContact O-N 3.19Å
180V97.6Very high95.7Very high0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-61.9-52.8176.61730000111.6L106 Y109 R169 F172 N176 C182 F183 L184L106-V180 HydrophobicContact CD1-CG1 4.45Å; L106-V180 HydrophobicContact CD1-CG2 4.37Å; Y109-V180 HydrophobicContact CD1-CG2 4.2Å; Y109-V180 HydrophobicContact CD2-CB 4.05Å; Y109-V180 HydrophobicContact CD2-CG1 3.82Å; Y109-V180 HydrophobicContact CD2-CG2 4.02Å; Y109-V180 HydrophobicContact CE1-CG2 4.09Å; Y109-V180 HydrophobicContact CE2-CB 4.22Å; Y109-V180 HydrophobicContact CE2-CG1 4.48Å; Y109-V180 HydrophobicContact CE2-CG2 3.88Å; Y109-V180 HydrophobicContact CG-CB 4.4Å; Y109-V180 HydrophobicContact CG-CG1 3.83Å; Y109-V180 HydrophobicContact CG-CG2 4.16Å; R169-V180 HydrophobicContact CG-CG2 4.17Å; F172-V180 HydrophobicContact CE1-CB 3.88Å; F172-V180 HydrophobicContact CE1-CG1 3.62Å; F172-V180 HydrophobicContact CE1-CG2 4.43Å; F172-V180 HydrophobicContact CZ-CB 4.38Å; F172-V180 HydrophobicContact CZ-CG1 3.61Å; N176-V180 WeakPolarHBondContact O-CG2 3.44Å; N176-V180 PolarHBondContact O-N 3.21Å; V180-C182 PolarHBondContact O-N 3.06Å; V180-F183 PolarHBondContact O-N 3Å; V180-L184 HydrophobicContact CG1-CD1 3.91Å; V180-L184 HydrophobicContact CG1-CG 4.43Å; V180-L184 WeakPolarHBondContact O-CB 3.48Å; V180-L184 VanDerWaalsContact O-CG 3.28Å; V180-L184 WeakPolarHBondContact O-CG 3.4Å; V180-L184 PolarHBondContact O-N 2.82Å
181L97.8Very high95.8Very high0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-65.6-35.6-178-70.2176.6000113.1V83 Y86 L87 L105 R177 F178 M185 F236V83-L181 HydrophobicContact CB-CD2 4.38Å; V83-L181 HydrophobicContact CG1-CD1 4.47Å; V83-L181 HydrophobicContact CG1-CD2 3.95Å; V83-L181 HydrophobicContact CG2-CD2 3.73Å; Y86-L181 HydrophobicContact CD1-CD1 3.98Å; Y86-L181 HydrophobicContact CD1-CD2 4.29Å; Y86-L181 HydrophobicContact CE1-CD1 3.82Å; L87-L181 HydrophobicContact CD1-CD1 4.39Å; L87-L181 HydrophobicContact CD2-CD1 3.76Å; L87-L181 HydrophobicContact CG-CD1 4.16Å; L105-L181 HydrophobicContact CD1-CD2 4.3Å; R177-L181 VanDerWaalsContact O-CB 3.3Å; R177-L181 WeakPolarHBondContact O-CB 3.49Å; R177-L181 WeakPolarHBondContact O-CG 3.27Å; R177-L181 PolarHBondContact O-N 3.23Å; F178-L181 HydrophobicContact CD1-CB 4.48Å; F178-L181 HydrophobicContact CD1-CD1 4.29Å; F178-L181 HydrophobicContact CE1-CD1 4.1Å; L181-M185 WeakPolarHBondContact O-CB 3.37Å; L181-M185 WeakPolarHBondContact O-CG 3.22Å; L181-M185 PolarHBondContact O-N 2.91Å; L181-F236 HydrophobicContact CB-CD2 3.92Å; L181-F236 HydrophobicContact CB-CE2 3.81Å
182C97.5Very high95.9Very high14 Ų1432.2 Ų32.210%0.09518%0.181CC..Hα-helixtrans-66-45.5175.4-173.50000110.6F178 V180 L184 M185 L186 F236F178-C182 WeakPolarHBondContact O-CA 3.33Å; F178-C182 WeakPolarHBondContact O-CB 3.3Å; F178-C182 PolarHBondContact O-N 2.84Å; V180-C182 PolarHBondContact O-N 3.06Å; C182-L184 PolarHBondContact O-N 3.17Å; C182-M185 PolarHBondContact O-N 2.66Å; C182-L186 WeakPolarHBondContact O-CB 3.38Å; C182-L186 PolarHBondContact O-N 3.09Å; C182-F236 HydrophobicContact CB-CB 4.45Å
183F97.6Very high96.1Very high3 Ų335.9 Ų35.91%0.01321%0.206CC..Hα-helixtrans-64.5-39.3175.9-173.6-100.8000112.8Y109 E112 I113 L123 H166 E179 V180 L186 C187Y109-F183 HydrophobicContact CD2-CB 4.14Å; Y109-F183 AromaticContact CD2-CD1 3.71Å; Y109-F183 HydrophobicContact CD2-CD1 3.71Å; Y109-F183 HydrophobicContact CD2-CG 4.28Å; Y109-F183 HydrophobicContact CE2-CB 4.02Å; Y109-F183 AromaticContact CE2-CD1 4Å; Y109-F183 HydrophobicContact CE2-CD1 4Å; Y109-F183 HydrophobicContact CE2-CG 4.22Å; E112-F183 HydrophobicContact CB-CE1 3.77Å; E112-F183 HydrophobicContact CB-CZ 4.43Å; I113-F183 HydrophobicContact CB-CE1 4.35Å; I113-F183 HydrophobicContact CG2-CD1 3.73Å; I113-F183 HydrophobicContact CG2-CE1 3.36Å; I113-F183 HydrophobicContact CG2-CE2 4.48Å; I113-F183 HydrophobicContact CG2-CG 4.43Å; I113-F183 HydrophobicContact CG2-CZ 3.78Å; L123-F183 HydrophobicContact CD1-CE2 4.3Å; H166-F183 AromaticContact CD2-CD2 3.54Å; H166-F183 AromaticContact CD2-CE2 3.67Å; H166-F183 AromaticContact CE1-CD2 3.9Å; H166-F183 AromaticContact NE2-CD2 3.37Å; H166-F183 WeakPolarHBondContact NE2-CD2 3.29Å; H166-F183 AromaticContact NE2-CE2 3.89Å; E179-F183 WeakPolarHBondContact O-CB 3.07Å; E179-F183 PolarHBondContact O-N 3.19Å; V180-F183 PolarHBondContact O-N 3Å; F183-L186 HydrophobicContact CD2-CD2 4.49Å; F183-L186 WeakPolarHBondContact O-CB 3.44Å; F183-L186 PolarHBondContact O-N 2.96Å; F183-C187 PolarHBondContact O-N 3.36Å; F183-C187 PolarHBondContact O-SG 3.47Å
184L98.1Very high96.2Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-62.2-44173.5-72.4174.4000111.9L79 L105 I108 V180 C182 L186 C187 Y188L79-L184 HydrophobicContact CD1-CB 4.37Å; L79-L184 HydrophobicContact CD1-CD1 4.46Å; L79-L184 HydrophobicContact CD2-CB 4.1Å; L79-L184 WeakPolarHBondContact CD2-O 3.28Å; L105-L184 HydrophobicContact CB-CD1 3.97Å; L105-L184 HydrophobicContact CD2-CD1 3.99Å; I108-L184 HydrophobicContact CB-CD2 4.01Å; I108-L184 HydrophobicContact CG2-CD2 3.41Å; I108-L184 VanDerWaalsContact CG2-CD2 3.41Å; V180-L184 HydrophobicContact CG1-CD1 3.91Å; V180-L184 HydrophobicContact CG1-CG 4.43Å; V180-L184 WeakPolarHBondContact O-CB 3.48Å; V180-L184 VanDerWaalsContact O-CG 3.28Å; V180-L184 WeakPolarHBondContact O-CG 3.4Å; V180-L184 PolarHBondContact O-N 2.82Å; C182-L184 PolarHBondContact O-N 3.17Å; L184-L186 VanDerWaalsContact C-N 3.31Å; L184-L186 PolarHBondContact O-N 2.91Å; L184-C187 WeakPolarHBondContact O-CB 2.96Å; L184-C187 PolarHBondContact O-N 2.95Å; L184-C187 VanDerWaalsContact O-N 3.16Å; L184-Y188 PolarHBondContact O-N 3.28Å
185M98.3Very high96.5Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-66.4-31.4174.1-76.4-59.4-55.500112.8L181 C182 Y188 N189 V203 M206 F236 Q239 A243L181-M185 WeakPolarHBondContact O-CB 3.37Å; L181-M185 WeakPolarHBondContact O-CG 3.22Å; L181-M185 PolarHBondContact O-N 2.91Å; C182-M185 PolarHBondContact O-N 2.66Å; M185-Y188 HydrophobicContact CE-CD1 4.15Å; M185-Y188 WeakPolarHBondContact O-CB 3.37Å; M185-Y188 PolarHBondContact O-N 2.88Å; M185-N189 WeakPolarHBondContact O-CB 3.36Å; M185-N189 PolarHBondContact O-N 2.92Å; M185-N189 PolarHBondContact O-ND2 3.11Å; M185-V203 HydrophobicContact CE-CG2 3.85Å; M185-M206 HydrophobicContact CE-CE 4.07Å; M185-M206 HydrophobicContact SD-CE 4.08Å; M185-F236 HydrophobicContact CB-CE2 4.4Å; M185-F236 HydrophobicContact CG-CD2 4.13Å; M185-F236 HydrophobicContact CG-CE2 3.46Å; M185-F236 VanDerWaalsContact CG-CE2 3.46Å; M185-F236 HydrophobicContact CG-CZ 4.15Å; M185-Q239 HydrophobicContact CB-CB 3.72Å; M185-Q239 HydrophobicContact CB-CG 4.39Å; M185-A243 HydrophobicContact CE-CB 4.2Å
186L97.4Very high96.7Very high23 Ų2330.7 Ų30.712%0.1216%0.164CC..Hα-helixtrans-65.1-39170.3178.960.2000111.6L123 Y162 C182 F183 L184 N189 S190L123-L186 HydrophobicContact CD1-CD2 3.73Å; L123-L186 HydrophobicContact CD1-CG 4.48Å; Y162-L186 HydrophobicContact CE2-CD1 4.17Å; Y162-L186 HydrophobicContact CE2-CD2 4.13Å; C182-L186 WeakPolarHBondContact O-CB 3.38Å; C182-L186 PolarHBondContact O-N 3.09Å; F183-L186 HydrophobicContact CD2-CD2 4.49Å; F183-L186 WeakPolarHBondContact O-CB 3.44Å; F183-L186 PolarHBondContact O-N 2.96Å; L184-L186 VanDerWaalsContact C-N 3.31Å; L184-L186 PolarHBondContact O-N 2.91Å; L186-N189 PolarHBondContact O-N 3.16Å; L186-S190 PolarHBondContact O-N 3.18Å
187C96.5Very high96.7Very high8 Ų834.4 Ų34.45%0.05418%0.183CC..Hα-helixtrans-66.8-37.3173.2-64.40000112.2F183 L184 S190F183-C187 PolarHBondContact O-N 3.36Å; F183-C187 PolarHBondContact O-SG 3.47Å; L184-C187 WeakPolarHBondContact O-CB 2.96Å; L184-C187 PolarHBondContact O-N 2.95Å; L184-C187 VanDerWaalsContact O-N 3.16Å; C187-S190 PolarHBondContact O-N 3.11Å; C187-S190 PolarHBondContact O-OG 3.04Å
188Y98.4Very high96.8Very high0 Ų033.6 Ų33.60%019%0.186CC..Hα-helixtrans-59.4-48.6168.9-177.8-95000111.4P80 L184 M185 S190 A191 V192 M195 S199 V203 A243P80-Y188 HydrophobicContact CG-CD2 4.2Å; P80-Y188 HydrophobicContact CG-CE2 3.76Å; L184-Y188 PolarHBondContact O-N 3.28Å; M185-Y188 HydrophobicContact CE-CD1 4.15Å; M185-Y188 WeakPolarHBondContact O-CB 3.37Å; M185-Y188 PolarHBondContact O-N 2.88Å; Y188-S190 VanDerWaalsContact C-N 3.3Å; Y188-S190 PolarHBondContact O-N 2.95Å; Y188-A191 CarbonylContact O-C 3.51Å; Y188-A191 PolarHBondContact O-N 2.9Å; Y188-V192 HydrophobicContact CE1-CG2 3.92Å; Y188-V192 PolarHBondContact O-N 3.46Å; Y188-M195 HydrophobicContact CD2-CG 4.5Å; Y188-M195 HydrophobicContact CE2-CG 3.78Å; Y188-M195 HydrophobicContact CE2-SD 4.05Å; Y188-S199 WeakPolarHBondContact CE2-OG 3.46Å; Y188-S199 PolarHBondContact OH-O 3.35Å; Y188-S199 PolarHBondContact OH-OG 3.27Å; Y188-V203 HydrophobicContact CE1-CB 4.39Å; Y188-V203 HydrophobicContact CE1-CG1 4.44Å; Y188-V203 HydrophobicContact CE1-CG2 4.3Å; Y188-A243 HydrophobicContact CD1-CB 4.24Å; Y188-A243 HydrophobicContact CE1-CB 4.04Å
189N98.1Very high96.8Very high19 Ų1932.6 Ų32.610%0.10218%0.182CC..Hα-helixtrans-62.3-33.8-179.3-74.8-24.8000112.8M185 L186 A191 V192 Q239 T242 A243M185-N189 WeakPolarHBondContact O-CB 3.36Å; M185-N189 PolarHBondContact O-N 2.92Å; M185-N189 PolarHBondContact O-ND2 3.11Å; L186-N189 PolarHBondContact O-N 3.16Å; N189-A191 PolarHBondContact O-N 2.86Å; N189-V192 VanDerWaalsContact O-CG1 3.3Å; N189-V192 WeakPolarHBondContact O-CG1 3.48Å; N189-V192 PolarHBondContact O-N 2.91Å; N189-Q239 PolarHBondContact ND2-O 3.34Å; N189-Q239 PolarHBondContact ND2-OE1 3.33Å; N189-T242 HydrophobicContact CB-CG2 4.27Å; N189-A243 WeakPolarHBondContact OD1-CB 3.48Å; N189-A243 PolarHBondContact OD1-N 2.89Å
190S95.7Very high96.9Very high97 Ų9730.1 Ų30.168%0.67817%0.17SC*.Hα-helixtrans-67.2-24.9175.481.70000113.5L186 C187 Y188L186-S190 PolarHBondContact O-N 3.18Å; C187-S190 PolarHBondContact O-N 3.11Å; C187-S190 PolarHBondContact O-OG 3.04Å; Y188-S190 VanDerWaalsContact C-N 3.3Å; Y188-S190 PolarHBondContact O-N 2.95Å
191A96.1Very high97Very high11 Ų1132.9 Ų32.99%0.09118%0.183CC..Hα-helixtrans-108.74.4179.900000113.8L76 Y188 N189 V193 Y194 M195L76-A191 HydrophobicContact CD1-CB 4.37Å; Y188-A191 CarbonylContact O-C 3.51Å; Y188-A191 PolarHBondContact O-N 2.9Å; N189-A191 PolarHBondContact O-N 2.86Å; A191-V193 VanDerWaalsContact C-N 3.27Å; A191-V193 PolarHBondContact O-N 2.85Å; A191-V193 VanDerWaalsContact O-N 3.12Å; A191-Y194 WeakPolarHBondContact O-CB 3.25Å; A191-Y194 PolarHBondContact O-N 3.5Å; A191-M195 HydrophobicContact CB-CE 3.58Å
192V96.9Very high97Very high12 Ų1232.9 Ų32.97%0.07318%0.183CC..G310 helixtrans-56.4-36.6-166.571.20000113.6Y188 N189 Y194 M195 Y200 H246Y188-V192 HydrophobicContact CE1-CG2 3.92Å; Y188-V192 PolarHBondContact O-N 3.46Å; N189-V192 VanDerWaalsContact O-CG1 3.3Å; N189-V192 WeakPolarHBondContact O-CG1 3.48Å; N189-V192 PolarHBondContact O-N 2.91Å; V192-Y194 PolarHBondContact O-N 3.23Å; V192-Y194 VanDerWaalsContact O-N 3.12Å; V192-M195 WeakPolarHBondContact O-CB 3.34Å; V192-M195 PolarHBondContact O-N 3.22Å; V192-Y200 HydrophobicContact CG2-CE1 3.95Å; V192-Y200 WeakPolarHBondContact O-CE1 3.29Å; V192-Y200 PolarHBondContact O-OH 3.45Å; V192-H246 HydrophobicContact CG1-CB 4.31Å; V192-H246 HydrophobicContact CG2-CB 4.05Å
193V96.4Very high97Very high104 Ų10432.2 Ų32.263%0.6318%0.178SC*.G310 helixtrans-60.1-24.5179-176.40000112.7A191A191-V193 VanDerWaalsContact C-N 3.27Å; A191-V193 PolarHBondContact O-N 2.85Å; A191-V193 VanDerWaalsContact O-N 3.12Å
194Y95.3Very high97.1Very high146 Ų14632.1 Ų32.157%0.57318%0.178SC*.G310 helixtrans-93.4-2.9179.5-55.1-68.8000113.8R73 A191 V192R73-Y194 VanDerWaalsContact NH1-CE1 3.27Å; R73-Y194 VanDerWaalsContact NH1-CG 3.25Å; A191-Y194 WeakPolarHBondContact O-CB 3.25Å; A191-Y194 PolarHBondContact O-N 3.5Å; V192-Y194 PolarHBondContact O-N 3.23Å; V192-Y194 VanDerWaalsContact O-N 3.12Å
195M96.1Very high97Very high7 Ų735.4 Ų35.43%0.03419%0.191CC..  trans-79.8140.1-176.2-61.4-62.1153.600110.8L76 Q77 Y188 A191 V192 Y200L76-M195 HydrophobicContact CB-CE 3.62Å; L76-M195 HydrophobicContact CB-SD 4.36Å; L76-M195 HydrophobicContact CD1-CE 4.34Å; Q77-M195 HydrophobicContact CB-SD 4.08Å; Y188-M195 HydrophobicContact CD2-CG 4.5Å; Y188-M195 HydrophobicContact CE2-CG 3.78Å; Y188-M195 HydrophobicContact CE2-SD 4.05Å; A191-M195 HydrophobicContact CB-CE 3.58Å; V192-M195 WeakPolarHBondContact O-CB 3.34Å; V192-M195 PolarHBondContact O-N 3.22Å; M195-Y200 HydrophobicContact CB-CD1 4.36Å; M195-Y200 HydrophobicContact CB-CE1 3.8Å; M195-Y200 VanDerWaalsContact O-CZ 3.23Å; M195-Y200 PolarHBondContact O-OH 3.49Å; M195-Y200 VanDerWaalsContact O-OH 3.12Å
196P94.8Very high97Very high52 Ų5235.5 Ų35.534%0.33819%0.191SC..  trans-74.6162.7177.330.5-33.7000111.4Q77 S198 S199 Y200Q77-P196 HydrophobicContact CB-CG 4.28Å; Q77-P196 VanDerWaalsContact OE1-CG 3.27Å; P196-S198 PolarHBondContact O-N 3.36Å; P196-S198 VanDerWaalsContact O-N 3.13Å; P196-S199 WeakPolarHBondContact O-CA 3.48Å; P196-S199 VanDerWaalsContact O-CB 3.28Å; P196-S199 WeakPolarHBondContact O-CB 3.43Å; P196-S199 PolarHBondContact O-N 3.1Å; P196-Y200 PolarHBondContact O-N 2.87Å
197L95.1Very high97Very high85 Ų8534.4 Ų34.445%0.44519%0.185SC..Hα-helixtrans-50.1-42-179.5-166.671.1000112.9S199 Y200 Q201 E252L197-S199 PolarHBondContact O-N 3.35Å; L197-S199 VanDerWaalsContact O-N 3.14Å; L197-Y200 HydrophobicContact CD1-CD2 4.27Å; L197-Y200 WeakPolarHBondContact O-CB 3.43Å; L197-Y200 PolarHBondContact O-N 3.29Å; L197-Q201 WeakPolarHBondContact O-CG 3.44Å; L197-Q201 PolarHBondContact O-N 3.44Å; L197-E252 HydrophobicContact CD1-CG 3.76Å; L197-E252 WeakPolarHBondContact CD1-OE1 3.48Å; L197-E252 HydrophobicContact CG-CG 4.46Å; L197-E252 WeakPolarHBondContact CG-OE1 3.42Å
198S96.1Very high97.1Very high38 Ų3834.3 Ų34.327%0.26618%0.184SC..Hα-helixtrans-56.3-30.4176.453.30000114P196 A202P196-S198 PolarHBondContact O-N 3.36Å; P196-S198 VanDerWaalsContact O-N 3.13Å; S198-A202 WeakPolarHBondContact O-CB 3.3Å; S198-A202 PolarHBondContact O-N 3.42Å
199S97.8Very high96.9Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-79.2-37.2176.4-167.90000112Y42 Q77 Y188 P196 L197 Q201 A202 V203Y42-S199 WeakPolarHBondContact OH-CA 3.37Å; Q77-S199 WeakPolarHBondContact CA-OG 3.33Å; Q77-S199 WeakPolarHBondContact O-CB 3.28Å; Q77-S199 PolarHBondContact O-OG 2.93Å; Y188-S199 WeakPolarHBondContact CE2-OG 3.46Å; Y188-S199 PolarHBondContact OH-O 3.35Å; Y188-S199 PolarHBondContact OH-OG 3.27Å; P196-S199 WeakPolarHBondContact O-CA 3.48Å; P196-S199 VanDerWaalsContact O-CB 3.28Å; P196-S199 WeakPolarHBondContact O-CB 3.43Å; P196-S199 PolarHBondContact O-N 3.1Å; L197-S199 PolarHBondContact O-N 3.35Å; L197-S199 VanDerWaalsContact O-N 3.14Å; S199-Q201 VanDerWaalsContact C-N 3.31Å; S199-Q201 PolarHBondContact O-N 2.87Å; S199-A202 WeakPolarHBondContact O-CB 3.46Å; S199-A202 PolarHBondContact O-N 2.99Å; S199-A202 VanDerWaalsContact O-N 3.16Å; S199-V203 PolarHBondContact O-N 3.41Å
200Y98.2Very high96.8Very high13 Ų1334.8 Ų34.85%0.05119%0.185CC..Hα-helixtrans-60.9-41.5169.6-60.1-26.8000111.4V192 M195 P196 L197 V203 C204 H246 A247 N250V192-Y200 HydrophobicContact CG2-CE1 3.95Å; V192-Y200 WeakPolarHBondContact O-CE1 3.29Å; V192-Y200 PolarHBondContact O-OH 3.45Å; M195-Y200 HydrophobicContact CB-CD1 4.36Å; M195-Y200 HydrophobicContact CB-CE1 3.8Å; M195-Y200 VanDerWaalsContact O-CZ 3.23Å; M195-Y200 PolarHBondContact O-OH 3.49Å; M195-Y200 VanDerWaalsContact O-OH 3.12Å; P196-Y200 PolarHBondContact O-N 2.87Å; L197-Y200 HydrophobicContact CD1-CD2 4.27Å; L197-Y200 WeakPolarHBondContact O-CB 3.43Å; L197-Y200 PolarHBondContact O-N 3.29Å; Y200-V203 WeakPolarHBondContact O-CG1 3.47Å; Y200-V203 PolarHBondContact O-N 2.97Å; Y200-C204 PolarHBondContact O-N 3.47Å; Y200-C204 VanDerWaalsContact O-N 3.08Å; Y200-C204 PolarHBondContact O-SG 2.95Å; Y200-H246 AromaticContact CE1-ND1 3.68Å; Y200-H246 AromaticContact CZ-CE1 3.76Å; Y200-H246 AromaticContact CZ-ND1 3.78Å; Y200-H246 PolarHBondContact OH-CE1 3.35Å; Y200-H246 VanDerWaalsContact OH-CE1 3.29Å; Y200-A247 HydrophobicContact CG-CB 4.26Å; Y200-N250 HydrophobicContact CD2-CB 4.28Å; Y200-N250 HydrophobicContact CE2-CB 3.79Å
201Q97.9Very high96.9Very high58 Ų5830.2 Ų30.227%0.27115%0.153SC..Hα-helixtrans-62.3-42.3172.1-63.2-177-700111.8L197 S199 R205 E252 M255L197-Q201 WeakPolarHBondContact O-CG 3.44Å; L197-Q201 PolarHBondContact O-N 3.44Å; S199-Q201 VanDerWaalsContact C-N 3.31Å; S199-Q201 PolarHBondContact O-N 2.87Å; Q201-R205 WeakPolarHBondContact O-CB 3.19Å; Q201-R205 PolarHBondContact O-N 2.99Å; Q201-E252 HydrophobicContact CG-CG 4Å; Q201-E252 WeakPolarHBondContact CG-OE1 3.5Å; Q201-E252 PolarHBondContact NE2-OE1 3.35Å; Q201-M255 HydrophobicContact CB-CE 3.95Å; Q201-M255 HydrophobicContact CG-CE 3.55Å
202A98.3Very high96.9Very high1 Ų129.7 Ų29.71%0.00815%0.148CC..Hα-helixtrans-63.5-42.5177.300000112.3Y42 P80 S198 S199 R205 M206Y42-A202 HydrophobicContact CE1-CB 3.97Å; P80-A202 HydrophobicContact CB-CB 4.26Å; S198-A202 WeakPolarHBondContact O-CB 3.3Å; S198-A202 PolarHBondContact O-N 3.42Å; S199-A202 WeakPolarHBondContact O-CB 3.46Å; S199-A202 PolarHBondContact O-N 2.99Å; S199-A202 VanDerWaalsContact O-N 3.16Å; A202-R205 PolarHBondContact O-N 2.9Å; A202-M206 VanDerWaalsContact O-CB 3.28Å; A202-M206 WeakPolarHBondContact O-CB 3.23Å; A202-M206 PolarHBondContact O-N 2.97Å
203V98.5Very high96.7Very high0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-71.7-37.8-179.579.40000112.9P80 M185 Y188 S199 Y200 M206 S207 A243P80-V203 HydrophobicContact CB-CB 3.88Å; P80-V203 HydrophobicContact CB-CG2 4.09Å; P80-V203 HydrophobicContact CG-CB 3.79Å; P80-V203 HydrophobicContact CG-CG2 4.04Å; M185-V203 HydrophobicContact CE-CG2 3.85Å; Y188-V203 HydrophobicContact CE1-CB 4.39Å; Y188-V203 HydrophobicContact CE1-CG1 4.44Å; Y188-V203 HydrophobicContact CE1-CG2 4.3Å; S199-V203 PolarHBondContact O-N 3.41Å; Y200-V203 WeakPolarHBondContact O-CG1 3.47Å; Y200-V203 PolarHBondContact O-N 2.97Å; V203-M206 HydrophobicContact CG2-CE 3.8Å; V203-S207 VanDerWaalsContact O-CB 3.3Å; V203-S207 WeakPolarHBondContact O-CB 3.43Å; V203-S207 PolarHBondContact O-N 3.29Å; V203-S207 PolarHBondContact O-OG 2.9Å; V203-A243 HydrophobicContact CB-CB 4.44Å; V203-A243 HydrophobicContact CG1-CB 4.03Å; V203-A243 HydrophobicContact CG2-CB 3.6Å
204C98.5Very high96.5Very high1 Ų125.3 Ų25.31%0.00713%0.127CC..Hα-helixtrans-64.4-45.1172.7-62.30000111.1Y200 S207 S208 A247 M255 A259Y200-C204 PolarHBondContact O-N 3.47Å; Y200-C204 VanDerWaalsContact O-N 3.08Å; Y200-C204 PolarHBondContact O-SG 2.95Å; C204-S207 PolarHBondContact O-N 3.32Å; C204-S208 PolarHBondContact O-N 2.92Å; C204-A247 VanDerWaalsContact SG-CB 3.55Å; C204-M255 HydrophobicContact CB-CB 3.93Å; C204-A259 HydrophobicContact CB-CB 4.15Å; C204-A259 WeakPolarHBondContact O-CB 3.4Å
205R97.3Very high96.4Very high69 Ų6919.4 Ų19.426%0.2610%0.104SC..Hα-helixtrans-64.1-44177.8-171.1-174-55.6117.57.8112.5E81 Q201 A202 R209E81-R205 IonicContact OE2-NH1 3.99Å; Q201-R205 WeakPolarHBondContact O-CB 3.19Å; Q201-R205 PolarHBondContact O-N 2.99Å; A202-R205 PolarHBondContact O-N 2.9Å; R205-R209 VanDerWaalsContact O-CB 3.27Å; R205-R209 WeakPolarHBondContact O-CB 3.36Å; R205-R209 WeakPolarHBondContact O-CD 3.5Å; R205-R209 WeakPolarHBondContact O-CG 3.38Å; R205-R209 PolarHBondContact O-N 2.98Å
206M97.5Very high96.3Very high2 Ų223 Ų231%0.0113%0.128CC..Hα-helixtrans-55.2-54.7172.3172.9-165.57600109.6P80 V83 W84 M185 A202 V203 S208 R209 V210 M240P80-M206 HydrophobicContact CB-CB 4.36Å; P80-M206 HydrophobicContact CB-CE 4.45Å; P80-M206 HydrophobicContact CB-SD 3.96Å; P80-M206 WeakPolarHBondContact O-CG 3.34Å; V83-M206 HydrophobicContact CB-SD 3.96Å; V83-M206 HydrophobicContact CG1-SD 3.88Å; W84-M206 HydrophobicContact CB-CB 4.25Å; W84-M206 HydrophobicContact CB-CG 4.01Å; M185-M206 HydrophobicContact CE-CE 4.07Å; M185-M206 HydrophobicContact SD-CE 4.08Å; A202-M206 VanDerWaalsContact O-CB 3.28Å; A202-M206 WeakPolarHBondContact O-CB 3.23Å; A202-M206 PolarHBondContact O-N 2.97Å; V203-M206 HydrophobicContact CG2-CE 3.8Å; M206-S208 PolarHBondContact O-N 3.41Å; M206-R209 PolarHBondContact O-N 3.43Å; M206-V210 HydrophobicContact CG-CG1 4.35Å; M206-V210 WeakPolarHBondContact O-CG2 3.29Å; M206-V210 PolarHBondContact O-N 2.92Å; M206-M240 HydrophobicContact CE-CG 3.86Å; M206-M240 HydrophobicContact CE-SD 3.88Å
207S98.2Very high96.3Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-60.4-48.4-174.8-58.70000112.5V203 C204 R209 C211V203-S207 VanDerWaalsContact O-CB 3.3Å; V203-S207 WeakPolarHBondContact O-CB 3.43Å; V203-S207 PolarHBondContact O-N 3.29Å; V203-S207 PolarHBondContact O-OG 2.9Å; C204-S207 PolarHBondContact O-N 3.32Å; S207-R209 PolarHBondContact O-N 3.42Å; S207-C211 VanDerWaalsContact O-CB 3.29Å; S207-C211 WeakPolarHBondContact O-CB 3.39Å; S207-C211 PolarHBondContact O-N 3.34Å; S207-C211 PolarHBondContact O-SG 3.49Å; S207-C211 VanDerWaalsContact O-SG 3.32Å
208S97.2Very high96.2Very high5 Ų520.3 Ų20.34%0.03511%0.106CC..Hα-helixtrans-56.4-51.9173.4171.90000111.2C204 M206 C211 V212 D262C204-S208 PolarHBondContact O-N 2.92Å; M206-S208 PolarHBondContact O-N 3.41Å; S208-C211 PolarHBondContact O-N 2.9Å; S208-V212 WeakPolarHBondContact O-CG2 3.12Å; S208-V212 PolarHBondContact O-N 2.99Å; S208-V212 VanDerWaalsContact O-N 3.12Å; S208-D262 VanDerWaalsContact CB-OD2 3.3Å; S208-D262 WeakPolarHBondContact CB-OD2 3.32Å; S208-D262 PolarHBondContact OG-OD2 3.4Å
209R95.7Very high96Very high30 Ų3027 Ų2711%0.11313%0.133CC..Hα-helixtrans-57.6-59.3-178.5-75.9171.9166.3176.5-8.2111.8E81 W84 R205 M206 S207 C211 V212 C213 W223E81-R209 IonicContact OE1-NH1 2.66Å; E81-R209 PolarHBondContact OE1-NH1 3.12Å; W84-R209 HydrophobicContact CD2-CB 4.28Å; W84-R209 HydrophobicContact CE3-CB 3.85Å; W84-R209 HydrophobicContact CH2-CB 3.79Å; W84-R209 HydrophobicContact CH2-CG 4.36Å; W84-R209 HydrophobicContact CZ2-CB 4.19Å; W84-R209 HydrophobicContact CZ2-CG 4.34Å; W84-R209 HydrophobicContact CZ3-CB 3.6Å; R205-R209 VanDerWaalsContact O-CB 3.27Å; R205-R209 WeakPolarHBondContact O-CB 3.36Å; R205-R209 WeakPolarHBondContact O-CD 3.5Å; R205-R209 WeakPolarHBondContact O-CG 3.38Å; R205-R209 PolarHBondContact O-N 2.98Å; M206-R209 PolarHBondContact O-N 3.43Å; S207-R209 PolarHBondContact O-N 3.42Å; R209-C211 PolarHBondContact O-N 3.32Å; R209-C211 VanDerWaalsContact O-N 3.16Å; R209-V212 PolarHBondContact O-N 2.97Å; R209-V212 VanDerWaalsContact O-N 3.16Å; R209-C213 WeakPolarHBondContact O-CB 3.2Å; R209-C213 PolarHBondContact O-N 3.01Å; R209-C213 PolarHBondContact O-SG 3.47Å; R209-W223 HydrophobicContact CB-CH2 4.31Å; R209-W223 HydrophobicContact CB-CZ2 4.14Å; R209-W223 HydrophobicContact CG-CD2 4.38Å; R209-W223 HydrophobicContact CG-CH2 4.04Å; R209-W223 HydrophobicContact CG-CZ2 3.63Å
210V95.9Very high95.7Very high0 Ų034.2 Ų34.20%017%0.167CC..Hα-helixtrans-59.9-32.2-175.8-60.10000112.8W84 L87 M206 L232 M240 R266W84-V210 HydrophobicContact CE3-CG1 3.6Å; W84-V210 HydrophobicContact CZ3-CG1 3.96Å; L87-V210 HydrophobicContact CD1-CG1 4.02Å; M206-V210 HydrophobicContact CG-CG1 4.35Å; M206-V210 WeakPolarHBondContact O-CG2 3.29Å; M206-V210 PolarHBondContact O-N 2.92Å; V210-L232 HydrophobicContact CB-CD1 4.29Å; V210-L232 HydrophobicContact CB-CD2 4.12Å; V210-L232 HydrophobicContact CG2-CD1 3.96Å; V210-L232 HydrophobicContact CG2-CD2 4.1Å; V210-M240 HydrophobicContact CG2-CE 3.92Å; V210-M240 HydrophobicContact CG2-SD 3.69Å; V210-R266 PolarHBondContact O-NH1 3.33Å; V210-R266 VanDerWaalsContact O-NH1 3.14Å
211C97Very high95.4Very high0 Ų034.6 Ų34.60%017%0.169CC..Hα-helixtrans-73.1-39.1179-74.30000112.8S207 S208 R209 D262 R266S207-C211 VanDerWaalsContact O-CB 3.29Å; S207-C211 WeakPolarHBondContact O-CB 3.39Å; S207-C211 PolarHBondContact O-N 3.34Å; S207-C211 PolarHBondContact O-SG 3.49Å; S207-C211 VanDerWaalsContact O-SG 3.32Å; S208-C211 PolarHBondContact O-N 2.9Å; R209-C211 PolarHBondContact O-N 3.32Å; R209-C211 VanDerWaalsContact O-N 3.16Å; C211-D262 HydrophobicContact CB-CB 4.24Å; C211-R266 HydrophobicContact CB-CB 3.79Å; C211-R266 HydrophobicContact CB-CG 4.28Å; C211-R266 WeakPolarHBondContact O-CD 3.44Å; C211-R266 PolarHBondContact O-NH1 3.2Å
212V95.6Very high94.9Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-96.8-15.4-176.5-49.80000115.4S208 R209 G214 F215 R217 Q218 K221 W223 D262S208-V212 WeakPolarHBondContact O-CG2 3.12Å; S208-V212 PolarHBondContact O-N 2.99Å; S208-V212 VanDerWaalsContact O-N 3.12Å; R209-V212 PolarHBondContact O-N 2.97Å; R209-V212 VanDerWaalsContact O-N 3.16Å; V212-G214 PolarHBondContact O-N 2.94Å; V212-F215 WeakPolarHBondContact O-CB 3.46Å; V212-F215 PolarHBondContact O-N 2.92Å; V212-R217 HydrophobicContact CB-CB 4.49Å; V212-R217 HydrophobicContact CG1-CB 4.28Å; V212-R217 HydrophobicContact CG1-CG 4.04Å; V212-Q218 HydrophobicContact CG2-CB 4.21Å; V212-Q218 HydrophobicContact CG2-CG 4.42Å; V212-K221 HydrophobicContact CG2-CG 4.16Å; V212-W223 HydrophobicContact CG2-CH2 4.06Å; V212-W223 HydrophobicContact CG2-CZ2 3.61Å; V212-D262 HydrophobicContact CG1-CB 3.81Å
213C93.4Very high94.2Very high0 Ų042.3 Ų42.30%021%0.208CC..THydrogen-bonded Turntrans-50.4121.2179.9-80.80000112.9W84 R209 F215 C227 R229W84-C213 WeakPolarHBondContact CH2-SG 3.49Å; R209-C213 WeakPolarHBondContact O-CB 3.2Å; R209-C213 PolarHBondContact O-N 3.01Å; R209-C213 PolarHBondContact O-SG 3.47Å; C213-F215 VanDerWaalsContact C-N 3.31Å; C213-F215 VanDerWaalsContact O-CD2 3.25Å; C213-F215 WeakPolarHBondContact O-CD2 3.3Å; C213-F215 PolarHBondContact O-N 3.45Å; C213-C227 HydrophobicContact CB-CB 3.77Å; C213-C227 WeakPolarHBondContact SG-CB 3.47Å; C213-R229 WeakPolarHBondContact O-CA 3.42Å
214G91.8Very high93Very high25 Ų2553 Ų5326%0.25825%0.248SC..THydrogen-bonded Turntrans76.412.4179.800000115V212 C227 R229V212-G214 PolarHBondContact O-N 2.94Å; G214-C227 WeakPolarHBondContact CA-O 3.41Å; G214-C227 PolarHBondContact N-O 3.47Å; G214-R229 WeakPolarHBondContact O-CG 3.25Å; G214-R229 PolarHBondContact O-NE 2.76Å
215F93.9Very high92Very high21 Ų2157 Ų579%0.09227%0.267CS..SBendtrans-115155.9174.1-65.5-89.1000111.6V212 C213 R217 Q218 R229 Y265 R266 L269V212-F215 WeakPolarHBondContact O-CB 3.46Å; V212-F215 PolarHBondContact O-N 2.92Å; C213-F215 VanDerWaalsContact C-N 3.31Å; C213-F215 VanDerWaalsContact O-CD2 3.25Å; C213-F215 WeakPolarHBondContact O-CD2 3.3Å; C213-F215 PolarHBondContact O-N 3.45Å; F215-R217 PolarHBondContact O-N 2.92Å; F215-R217 VanDerWaalsContact O-N 3.12Å; F215-Q218 WeakPolarHBondContact O-CB 3.28Å; F215-Q218 PolarHBondContact O-N 3.4Å; F215-R229 HydrophobicContact CD2-CG 4.35Å; F215-R229 HydrophobicContact CE2-CB 4.43Å; F215-R229 HydrophobicContact CE2-CG 3.94Å; F215-R229 HydrophobicContact CZ-CG 4.27Å; F215-Y265 HydrophobicContact CB-CE1 4.15Å; F215-R266 VanDerWaalsContact CE2-CZ 3.48Å; F215-L269 HydrophobicContact CD1-CD1 3.47Å; F215-L269 VanDerWaalsContact CD1-CD1 3.47Å; F215-L269 HydrophobicContact CE1-CD1 3.73Å; F215-L269 HydrophobicContact CG-CD1 4.26Å
216P93.8Very high91Very high82 Ų8260 Ų6053%0.53230%0.295SS..G310 helixtrans-54.9-34-177.1-28.235.9000114.6Q218 Q219P216-Q218 PolarHBondContact O-N 3.16Å; P216-Q218 VanDerWaalsContact O-N 3.11Å; P216-Q219 WeakPolarHBondContact O-CB 3.03Å; P216-Q219 PolarHBondContact O-N 3.14Å
217R94.4Very high90.2Very high57 Ų5760.9 Ų60.922%0.21530%0.301CS..G310 helixtrans-58-24.5177.1-173.5-179.1-88-129.2-5113.2V212 F215 Q219 Q220 E261 D262 Y265V212-R217 HydrophobicContact CB-CB 4.49Å; V212-R217 HydrophobicContact CG1-CB 4.28Å; V212-R217 HydrophobicContact CG1-CG 4.04Å; F215-R217 PolarHBondContact O-N 2.92Å; F215-R217 VanDerWaalsContact O-N 3.12Å; R217-Q219 PolarHBondContact O-N 3.12Å; R217-Q220 WeakPolarHBondContact O-CB 3.43Å; R217-Q220 PolarHBondContact O-N 3.16Å; R217-Q220 VanDerWaalsContact O-N 3.07Å; R217-E261 PolarHBondContact NH1-O 2.89Å; R217-D262 WeakPolarHBondContact CD-OD1 3.42Å; R217-D262 IonicContact CZ-OD1 3.19Å; R217-D262 IonicContact NE-OD1 2.72Å; R217-D262 IonicContact NH1-OD1 2.78Å; R217-D262 PolarHBondContact NH1-OD1 3.27Å; R217-Y265 HydrophobicContact CB-CD1 4.15Å; R217-Y265 HydrophobicContact CB-CE1 3.52Å; R217-Y265 HydrophobicContact CB-CE2 4.31Å; R217-Y265 HydrophobicContact CG-CD1 4.49Å; R217-Y265 HydrophobicContact CG-CE1 4.33Å; R217-Y265 VanDerWaalsContact NE-CG 3.32Å
218Q92.9Very high89.8Confident24 Ų2465.4 Ų65.411%0.11233%0.325CS..G310 helixtrans-56.8-32.8173.5-169.6178.6-8.600112.6V212 F215 P216 Q220 K221 W223 E225V212-Q218 HydrophobicContact CG2-CB 4.21Å; V212-Q218 HydrophobicContact CG2-CG 4.42Å; F215-Q218 WeakPolarHBondContact O-CB 3.28Å; F215-Q218 PolarHBondContact O-N 3.4Å; P216-Q218 PolarHBondContact O-N 3.16Å; P216-Q218 VanDerWaalsContact O-N 3.11Å; Q218-Q220 PolarHBondContact O-N 3.03Å; Q218-K221 WeakPolarHBondContact O-CB 3.37Å; Q218-K221 PolarHBondContact O-N 2.92Å; Q218-W223 HydrophobicContact CG-CH2 3.8Å; Q218-W223 HydrophobicContact CG-CZ2 4.31Å; Q218-W223 HydrophobicContact CG-CZ3 4.09Å; Q218-E225 PolarHBondContact NE2-O 2.99Å
219Q91.1Very high89.6Confident178 Ų17872.7 Ų72.783%0.83235%0.352SS*.G310 helixtrans-66.9-17.4-180-60.7177.1-10.600113.3P216 R217 K221P216-Q219 WeakPolarHBondContact O-CB 3.03Å; P216-Q219 PolarHBondContact O-N 3.14Å; R217-Q219 PolarHBondContact O-N 3.12Å; Q219-K221 VanDerWaalsContact C-N 3.35Å
220Q92Very high89.4Confident153 Ų15371.6 Ų71.672%0.71535%0.349SS*.G310 helixtrans-86.8-8.3177.1-57.2172.7-4.900112.1R217 Q218R217-Q220 WeakPolarHBondContact O-CB 3.43Å; R217-Q220 PolarHBondContact O-N 3.16Å; R217-Q220 VanDerWaalsContact O-N 3.07Å; Q218-Q220 PolarHBondContact O-N 3.03Å
221K92.8Very high89.2Confident20 Ų2077.3 Ų77.39%0.08738%0.379CS..SBendtrans-85.3152.2-178.3-56.4-55.4-173-178.90111.8V212 Q218 Q219 W223 E258 D262V212-K221 HydrophobicContact CG2-CG 4.16Å; Q218-K221 WeakPolarHBondContact O-CB 3.37Å; Q218-K221 PolarHBondContact O-N 2.92Å; Q219-K221 VanDerWaalsContact C-N 3.35Å; K221-W223 VanDerWaalsContact C-N 3.29Å; K221-W223 HydrophobicContact CB-CD2 4.44Å; K221-W223 HydrophobicContact CB-CG 4.34Å; K221-W223 HydrophobicContact CB-CZ2 4.49Å; K221-W223 HydrophobicContact CG-CZ2 4.25Å; K221-W223 PolarHBondContact O-N 2.95Å; K221-E258 VanDerWaalsContact CD-OE1 3.22Å; K221-E258 WeakPolarHBondContact CD-OE1 3.49Å; K221-E258 WeakPolarHBondContact CE-OE1 3.31Å; K221-E258 VanDerWaalsContact NZ-CG 3.29Å; K221-E258 IonicContact NZ-OE1 2.96Å; K221-E258 PolarHBondContact NZ-OE1 3.47Å; K221-D262 WeakPolarHBondContact CE-OD2 3.13Å; K221-D262 IonicContact NZ-OD1 2.84Å; K221-D262 PolarHBondContact NZ-OD1 2.89Å; K221-D262 IonicContact NZ-OD2 3.27Å; K221-D262 PolarHBondContact NZ-OD2 3.36Å
222L87.6Confident89.1Confident179 Ų17977.7 Ų77.794%0.93738%0.381SS*.SBendtrans-67.9-29.5176.8-65.1174.7000112.6
223W83Confident89.2Confident43 Ų4380 Ų8016%0.16339%0.393CS..  trans-88.1138.5175.160.2-86.9000110.6R209 V212 Q218 K221 E225R209-W223 HydrophobicContact CB-CH2 4.31Å; R209-W223 HydrophobicContact CB-CZ2 4.14Å; R209-W223 HydrophobicContact CG-CD2 4.38Å; R209-W223 HydrophobicContact CG-CH2 4.04Å; R209-W223 HydrophobicContact CG-CZ2 3.63Å; V212-W223 HydrophobicContact CG2-CH2 4.06Å; V212-W223 HydrophobicContact CG2-CZ2 3.61Å; Q218-W223 HydrophobicContact CG-CH2 3.8Å; Q218-W223 HydrophobicContact CG-CZ2 4.31Å; Q218-W223 HydrophobicContact CG-CZ3 4.09Å; K221-W223 VanDerWaalsContact C-N 3.29Å; K221-W223 HydrophobicContact CB-CD2 4.44Å; K221-W223 HydrophobicContact CB-CG 4.34Å; K221-W223 HydrophobicContact CB-CZ2 4.49Å; K221-W223 HydrophobicContact CG-CZ2 4.25Å; K221-W223 PolarHBondContact O-N 2.95Å; W223-E225 HydrophobicContact CE3-CB 4.37Å
224R72.8Confident89.4Confident225 Ų22581.8 Ų81.885%0.84940%0.404SS*.  trans-122.912.7-170.1-60.7-173.5-179.5-170.90.2114.6P226R224-P226 WeakPolarHBondContact O-CD 3.42Å
225E79Confident89.6Confident84 Ų8486 Ų8639%0.39342%0.417SS..  trans-59.3115.5177.6-71.1160.5-134.300110.2R88 Q218 W223 C227R88-E225 IonicContact NH1-OE2 2.75Å; Q218-E225 PolarHBondContact NE2-O 2.99Å; W223-E225 HydrophobicContact CE3-CB 4.37Å; E225-C227 PolarHBondContact O-N 3.31Å; E225-C227 PolarHBondContact O-SG 3.03Å
226P74.9Confident89.8Confident132 Ų13285 Ų8586%0.85741%0.413SS*.  trans-64.9120.1-18026.2-33000109.5R224R224-P226 WeakPolarHBondContact O-CD 3.42Å
227C81.5Confident90Very high20 Ų2081 Ų8114%0.13539%0.388CS..  trans-125.2136.6-175.5-66.90000110.1C213 G214 E225C213-C227 HydrophobicContact CB-CB 3.77Å; C213-C227 WeakPolarHBondContact SG-CB 3.47Å; G214-C227 WeakPolarHBondContact CA-O 3.41Å; G214-C227 PolarHBondContact N-O 3.47Å; E225-C227 PolarHBondContact O-N 3.31Å; E225-C227 PolarHBondContact O-SG 3.03Å
228N89.7Confident90.2Very high95 Ų9580 Ų8051%0.50839%0.387SS..PPolyproline II helixtrans-69.3156.8171.3-72.1-20.5000110.7A91 V230A91-N228 HydrophobicContact CB-CB 4.02Å; A91-N228 WeakPolarHBondContact O-CB 3.26Å; A91-N228 PolarHBondContact O-ND2 2.88Å; N228-V230 PolarHBondContact O-N 3.43Å
229R92.9Very high90.5Very high159 Ų15980.3 Ų80.360%0.639%0.389SS*.PPolyproline II helixtrans-62.8118.9175-67.7-175.3-172.91715.2110.2C213 G214 F215C213-R229 WeakPolarHBondContact O-CA 3.42Å; G214-R229 WeakPolarHBondContact O-CG 3.25Å; G214-R229 PolarHBondContact O-NE 2.76Å; F215-R229 HydrophobicContact CD2-CG 4.35Å; F215-R229 HydrophobicContact CE2-CB 4.43Å; F215-R229 HydrophobicContact CE2-CG 3.94Å; F215-R229 HydrophobicContact CZ-CG 4.27Å
230V91.5Very high90.9Very high6 Ų671.9 Ų71.94%0.03635%0.349CS..PPolyproline II helixtrans-81.5119.4169.9-179.90000107.4L87 A91 N228 L232 R266L87-V230 HydrophobicContact CB-CG1 3.95Å; L87-V230 HydrophobicContact CD1-CG1 4.2Å; L87-V230 HydrophobicContact CD2-CG1 4.07Å; L87-V230 HydrophobicContact CG-CG1 4.3Å; A91-V230 HydrophobicContact CB-CG2 4.02Å; N228-V230 PolarHBondContact O-N 3.43Å; V230-L232 HydrophobicContact CG1-CD2 3.9Å; V230-L232 HydrophobicContact CG1-CG 4.41Å; V230-R266 PolarHBondContact O-NH1 2.81Å; V230-R266 PolarHBondContact O-NH2 2.85Å
231L91.1Very high91.2Very high121 Ų12164.6 Ų64.663%0.63432%0.315SS*.PPolyproline II helixtrans-64.6134.1166.6-64.6174.9000108.1F178F178-L231 VanDerWaalsContact CE2-O 3.23Å; F178-L231 WeakPolarHBondContact CE2-O 3.48Å; F178-L231 WeakPolarHBondContact CZ-O 3.19Å
232L95.6Very high91.4Very high7 Ų766.5 Ų66.54%0.03733%0.329CS..  trans-124.4144.4-179.1-69177.4000110.3L87 F178 V210 V230 F236 M237 M240 R266 Y272L87-L232 HydrophobicContact CD1-CD2 4.43Å; F178-L232 HydrophobicContact CE1-CD2 4.25Å; F178-L232 HydrophobicContact CZ-CD2 4.17Å; V210-L232 HydrophobicContact CB-CD1 4.29Å; V210-L232 HydrophobicContact CB-CD2 4.12Å; V210-L232 HydrophobicContact CG2-CD1 3.96Å; V210-L232 HydrophobicContact CG2-CD2 4.1Å; V230-L232 HydrophobicContact CG1-CD2 3.9Å; V230-L232 HydrophobicContact CG1-CG 4.41Å; L232-F236 HydrophobicContact CD2-CD1 4.19Å; L232-F236 HydrophobicContact CD2-CE1 4.2Å; L232-M237 HydrophobicContact CB-CG 4.25Å; L232-M237 HydrophobicContact CB-SD 4.08Å; L232-M237 HydrophobicContact CD1-CG 4.33Å; L232-M237 HydrophobicContact CD1-SD 4.26Å; L232-M240 HydrophobicContact CD1-CE 4.31Å; L232-R266 HydrophobicContact CD1-CG 4.36Å; L232-Y272 WeakPolarHBondContact O-CE2 3.43Å; L232-Y272 PolarHBondContact O-OH 2.97Å
233D96.8Very high91.9Very high50 Ų5058 Ų5827%0.26728%0.284SS..  trans-88.8140.8173176.6-84.6000111.2F178 E235 F236 M237F178-D233 HydrophobicContact CB-CB 3.55Å; F178-D233 HydrophobicContact CD1-CB 3.64Å; F178-D233 HydrophobicContact CD2-CB 4.05Å; F178-D233 HydrophobicContact CE1-CB 4.42Å; F178-D233 HydrophobicContact CG-CB 3.45Å; F178-D233 VanDerWaalsContact CG-CB 3.45Å; D233-E235 PolarHBondContact O-N 3.11Å; D233-E235 WeakPolarHBondContact OD1-CA 3.36Å; D233-E235 VanDerWaalsContact OD1-CB 3.31Å; D233-E235 WeakPolarHBondContact OD1-CB 3.31Å; D233-E235 PolarHBondContact OD1-N 2.96Å; D233-F236 HydrophobicContact CB-CB 4.05Å; D233-F236 WeakPolarHBondContact O-CB 3.01Å; D233-F236 PolarHBondContact O-N 3.2Å; D233-F236 PolarHBondContact OD1-N 3.26Å; D233-F236 VanDerWaalsContact OD1-N 3.11Å; D233-M237 WeakPolarHBondContact O-CG 3.46Å; D233-M237 PolarHBondContact O-N 3.5Å
234P97.8Very high92.7Very high36 Ų3655.9 Ų55.923%0.23428%0.276CS..Hα-helixtrans-64.4-34.1-178.925-35.4000114.4M237 V238 Y272 P275P234-M237 PolarHBondContact O-N 3.18Å; P234-V238 PolarHBondContact O-N 3.06Å; P234-Y272 HydrophobicContact CB-CD1 4.48Å; P234-Y272 HydrophobicContact CB-CD2 4.04Å; P234-Y272 HydrophobicContact CB-CG 4Å; P234-P275 HydrophobicContact CB-CG 4.41Å
235E96.8Very high93.9Very high113 Ų11348 Ų4853%0.52825%0.247SC..Hα-helixtrans-70.9-40.4176.5-58-172.1176.400110.4D233 M237 V238 Q239D233-E235 PolarHBondContact O-N 3.11Å; D233-E235 WeakPolarHBondContact OD1-CA 3.36Å; D233-E235 VanDerWaalsContact OD1-CB 3.31Å; D233-E235 WeakPolarHBondContact OD1-CB 3.31Å; D233-E235 PolarHBondContact OD1-N 2.96Å; E235-M237 VanDerWaalsContact C-N 3.27Å; E235-M237 PolarHBondContact O-N 2.94Å; E235-V238 WeakPolarHBondContact O-CA 3.3Å; E235-V238 WeakPolarHBondContact O-CB 3.41Å; E235-V238 PolarHBondContact O-N 3.05Å; E235-Q239 PolarHBondContact O-N 3.31Å
236F98.3Very high94.7Very high0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-58.3-39.9171.3-179.4-96.2000111.6V83 L87 F178 L181 C182 M185 L232 D233 V238 Q239 M240V83-F236 HydrophobicContact CG1-CE2 4.16Å; V83-F236 HydrophobicContact CG1-CZ 3.77Å; L87-F236 HydrophobicContact CD1-CE1 4.42Å; L87-F236 HydrophobicContact CD1-CZ 4.42Å; F178-F236 HydrophobicContact CD1-CB 3.87Å; F178-F236 HydrophobicContact CD1-CD1 4.33Å; F178-F236 HydrophobicContact CD1-CD2 4.28Å; F178-F236 AromaticContact CD1-CG 3.9Å; F178-F236 HydrophobicContact CD1-CG 3.9Å; F178-F236 HydrophobicContact CE1-CB 4.31Å; F178-F236 AromaticContact CE1-CD1 3.95Å; F178-F236 HydrophobicContact CE1-CD1 3.95Å; F178-F236 HydrophobicContact CE1-CD2 4.46Å; F178-F236 HydrophobicContact CE1-CE1 4.42Å; F178-F236 AromaticContact CE1-CG 3.98Å; F178-F236 HydrophobicContact CE1-CG 3.98Å; L181-F236 HydrophobicContact CB-CD2 3.92Å; L181-F236 HydrophobicContact CB-CE2 3.81Å; C182-F236 HydrophobicContact CB-CB 4.45Å; M185-F236 HydrophobicContact CB-CE2 4.4Å; M185-F236 HydrophobicContact CG-CD2 4.13Å; M185-F236 HydrophobicContact CG-CE2 3.46Å; M185-F236 VanDerWaalsContact CG-CE2 3.46Å; M185-F236 HydrophobicContact CG-CZ 4.15Å; L232-F236 HydrophobicContact CD2-CD1 4.19Å; L232-F236 HydrophobicContact CD2-CE1 4.2Å; D233-F236 HydrophobicContact CB-CB 4.05Å; D233-F236 WeakPolarHBondContact O-CB 3.01Å; D233-F236 PolarHBondContact O-N 3.2Å; D233-F236 PolarHBondContact OD1-N 3.26Å; D233-F236 VanDerWaalsContact OD1-N 3.11Å; F236-V238 VanDerWaalsContact C-N 3.34Å; F236-V238 PolarHBondContact O-N 3.44Å; F236-Q239 PolarHBondContact O-N 3.1Å; F236-M240 HydrophobicContact CD1-CE 4.02Å; F236-M240 HydrophobicContact CD1-CG 4.26Å; F236-M240 HydrophobicContact CD1-SD 4.19Å; F236-M240 HydrophobicContact CE1-CE 3.93Å; F236-M240 HydrophobicContact CE1-CG 3.87Å; F236-M240 HydrophobicContact CE1-SD 3.56Å; F236-M240 VanDerWaalsContact CE1-SD 3.56Å; F236-M240 HydrophobicContact CZ-CG 4.24Å; F236-M240 HydrophobicContact CZ-SD 4.25Å; F236-M240 WeakPolarHBondContact O-CG 3.5Å; F236-M240 PolarHBondContact O-N 3.12Å
237M98.6Very high95.8Very high0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-64.6-33.9173.4-69178.668.300113.1L232 D233 P234 E235 M240 L241 I263 R266 A267 Y272 P275L232-M237 HydrophobicContact CB-CG 4.25Å; L232-M237 HydrophobicContact CB-SD 4.08Å; L232-M237 HydrophobicContact CD1-CG 4.33Å; L232-M237 HydrophobicContact CD1-SD 4.26Å; D233-M237 WeakPolarHBondContact O-CG 3.46Å; D233-M237 PolarHBondContact O-N 3.5Å; P234-M237 PolarHBondContact O-N 3.18Å; E235-M237 VanDerWaalsContact C-N 3.27Å; E235-M237 PolarHBondContact O-N 2.94Å; M237-M240 HydrophobicContact CB-CE 4.2Å; M237-M240 HydrophobicContact CG-CE 3.68Å; M237-M240 PolarHBondContact O-N 3.34Å; M237-L241 WeakPolarHBondContact O-CG 3.48Å; M237-L241 PolarHBondContact O-N 3.44Å; M237-I263 HydrophobicContact CE-CG2 3.75Å; M237-I263 WeakPolarHBondContact CE-O 3.33Å; M237-R266 HydrophobicContact CE-CB 4Å; M237-R266 HydrophobicContact CE-CG 4.01Å; M237-R266 HydrophobicContact SD-CG 4.5Å; M237-A267 HydrophobicContact CE-CB 4Å; M237-Y272 HydrophobicContact SD-CD2 3.79Å; M237-Y272 HydrophobicContact SD-CE2 4.18Å; M237-P275 HydrophobicContact CB-CB 3.76Å; M237-P275 HydrophobicContact CB-CG 4.07Å; M237-P275 HydrophobicContact CE-CB 4.37Å; M237-P275 HydrophobicContact CE-CG 4.37Å; M237-P275 HydrophobicContact SD-CG 4.44Å
238V98.5Very high96.4Very high34 Ų3438.6 Ų38.621%0.20619%0.19CC..Hα-helixtrans-66.8-38.21721670000111.8P234 E235 F236 L241 T242 Q274 P275 L278P234-V238 PolarHBondContact O-N 3.06Å; E235-V238 WeakPolarHBondContact O-CA 3.3Å; E235-V238 WeakPolarHBondContact O-CB 3.41Å; E235-V238 PolarHBondContact O-N 3.05Å; F236-V238 VanDerWaalsContact C-N 3.34Å; F236-V238 PolarHBondContact O-N 3.44Å; V238-L241 PolarHBondContact O-N 3.16Å; V238-T242 PolarHBondContact O-N 3.03Å; V238-T242 VanDerWaalsContact O-N 3.1Å; V238-T242 PolarHBondContact O-OG1 3.34Å; V238-Q274 HydrophobicContact CG2-CB 4.11Å; V238-P275 HydrophobicContact CG2-CB 4.37Å; V238-L278 HydrophobicContact CB-CD2 4.44Å; V238-L278 HydrophobicContact CG1-CD2 3.85Å; V238-L278 HydrophobicContact CG2-CD2 4.38Å
239Q98.4Very high96.6Very high32 Ų3236.8 Ų36.815%0.1518%0.176CC..Hα-helixtrans-66.8-38173.1-61.9-58.5-27.400112M185 N189 E235 F236 T242 A243M185-Q239 HydrophobicContact CB-CB 3.72Å; M185-Q239 HydrophobicContact CB-CG 4.39Å; N189-Q239 PolarHBondContact ND2-O 3.34Å; N189-Q239 PolarHBondContact ND2-OE1 3.33Å; E235-Q239 PolarHBondContact O-N 3.31Å; F236-Q239 PolarHBondContact O-N 3.1Å; Q239-T242 PolarHBondContact O-N 3.07Å; Q239-A243 PolarHBondContact O-N 3.36Å
240M98.6Very high96.7Very high0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-61.4-45.9172.4-71-164.2-64.400112M206 V210 L232 F236 M237 T242 A243 V244 I263M206-M240 HydrophobicContact CE-CG 3.86Å; M206-M240 HydrophobicContact CE-SD 3.88Å; V210-M240 HydrophobicContact CG2-CE 3.92Å; V210-M240 HydrophobicContact CG2-SD 3.69Å; L232-M240 HydrophobicContact CD1-CE 4.31Å; F236-M240 HydrophobicContact CD1-CE 4.02Å; F236-M240 HydrophobicContact CD1-CG 4.26Å; F236-M240 HydrophobicContact CD1-SD 4.19Å; F236-M240 HydrophobicContact CE1-CE 3.93Å; F236-M240 HydrophobicContact CE1-CG 3.87Å; F236-M240 HydrophobicContact CE1-SD 3.56Å; F236-M240 VanDerWaalsContact CE1-SD 3.56Å; F236-M240 HydrophobicContact CZ-CG 4.24Å; F236-M240 HydrophobicContact CZ-SD 4.25Å; F236-M240 WeakPolarHBondContact O-CG 3.5Å; F236-M240 PolarHBondContact O-N 3.12Å; M237-M240 HydrophobicContact CB-CE 4.2Å; M237-M240 HydrophobicContact CG-CE 3.68Å; M237-M240 PolarHBondContact O-N 3.34Å; M240-T242 VanDerWaalsContact C-N 3.28Å; M240-T242 PolarHBondContact O-N 2.94Å; M240-A243 PolarHBondContact O-N 2.88Å; M240-V244 WeakPolarHBondContact O-CB 3.46Å; M240-V244 WeakPolarHBondContact O-CG2 3.44Å; M240-V244 PolarHBondContact O-N 2.95Å; M240-I263 HydrophobicContact CB-CD1 4.13Å
241L98.7Very high96.6Very high0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-57.5-41.4176.5-76.4168.6000112.1M237 V238 A243 V244 Y245 L260 I263 P275 L278 M282M237-L241 WeakPolarHBondContact O-CG 3.48Å; M237-L241 PolarHBondContact O-N 3.44Å; V238-L241 PolarHBondContact O-N 3.16Å; L241-A243 PolarHBondContact O-N 2.97Å; L241-V244 PolarHBondContact O-N 3.23Å; L241-Y245 VanDerWaalsContact O-CB 3.25Å; L241-Y245 WeakPolarHBondContact O-CB 3.28Å; L241-Y245 PolarHBondContact O-N 2.82Å; L241-L260 HydrophobicContact CD2-CD1 3.43Å; L241-L260 VanDerWaalsContact CD2-CD1 3.43Å; L241-I263 HydrophobicContact CD1-CG2 4.08Å; L241-I263 HydrophobicContact CD2-CB 4.09Å; L241-I263 HydrophobicContact CD2-CD1 3.77Å; L241-I263 HydrophobicContact CD2-CG2 3.73Å; L241-I263 HydrophobicContact CG-CD1 4.1Å; L241-I263 HydrophobicContact CG-CG2 3.8Å; L241-P275 HydrophobicContact CD1-CB 3.93Å; L241-P275 WeakPolarHBondContact CD1-O 3.4Å; L241-L278 HydrophobicContact CB-CD2 3.97Å; L241-L278 HydrophobicContact CB-CG 4.43Å; L241-L278 HydrophobicContact CD1-CB 3.97Å; L241-L278 HydrophobicContact CD1-CD2 3.99Å; L241-L278 HydrophobicContact CD1-CG 4.04Å; L241-M282 HydrophobicContact CB-CE 4.01Å; L241-M282 HydrophobicContact CB-SD 3.88Å; L241-M282 HydrophobicContact CD2-SD 4.02Å; L241-M282 HydrophobicContact CG-SD 4.45Å; L241-M282 WeakPolarHBondContact O-CE 3.39Å
242T98.3Very high96.7Very high60 Ų6030.4 Ų30.437%0.36817%0.167SC..Hα-helixtrans-59.7-46.6177.2-58.30000111.8N189 V238 Q239 M240 H246N189-T242 HydrophobicContact CB-CG2 4.27Å; V238-T242 PolarHBondContact O-N 3.03Å; V238-T242 VanDerWaalsContact O-N 3.1Å; V238-T242 PolarHBondContact O-OG1 3.34Å; Q239-T242 PolarHBondContact O-N 3.07Å; M240-T242 VanDerWaalsContact C-N 3.28Å; M240-T242 PolarHBondContact O-N 2.94Å; T242-H246 PolarHBondContact O-N 3.26Å
243A98.4Very high96.7Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-66.5-44.617700000112.8M185 Y188 N189 V203 Q239 M240 L241 H246 A247M185-A243 HydrophobicContact CE-CB 4.2Å; Y188-A243 HydrophobicContact CD1-CB 4.24Å; Y188-A243 HydrophobicContact CE1-CB 4.04Å; N189-A243 WeakPolarHBondContact OD1-CB 3.48Å; N189-A243 PolarHBondContact OD1-N 2.89Å; V203-A243 HydrophobicContact CB-CB 4.44Å; V203-A243 HydrophobicContact CG1-CB 4.03Å; V203-A243 HydrophobicContact CG2-CB 3.6Å; Q239-A243 PolarHBondContact O-N 3.36Å; M240-A243 PolarHBondContact O-N 2.88Å; L241-A243 PolarHBondContact O-N 2.97Å; A243-H246 WeakPolarHBondContact O-CB 3.46Å; A243-H246 PolarHBondContact O-N 3.07Å; A243-A247 PolarHBondContact O-N 3.2Å
244V98.6Very high96.6Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-62.7-44.1178.9166.70000111M240 L241 H246 A247 I248 G256 A259 L260 I263M240-V244 WeakPolarHBondContact O-CB 3.46Å; M240-V244 WeakPolarHBondContact O-CG2 3.44Å; M240-V244 PolarHBondContact O-N 2.95Å; L241-V244 PolarHBondContact O-N 3.23Å; V244-H246 VanDerWaalsContact C-N 3.32Å; V244-H246 PolarHBondContact O-N 3.01Å; V244-A247 WeakPolarHBondContact O-CB 3.45Å; V244-A247 PolarHBondContact O-N 3.09Å; V244-A247 VanDerWaalsContact O-N 3.13Å; V244-I248 HydrophobicContact CG1-CD1 4.09Å; V244-I248 HydrophobicContact CG1-CG1 4.48Å; V244-I248 VanDerWaalsContact O-CG1 3.32Å; V244-I248 WeakPolarHBondContact O-CG1 3.32Å; V244-I248 PolarHBondContact O-N 3.4Å; V244-G256 WeakPolarHBondContact CG1-O 3.42Å; V244-A259 HydrophobicContact CG1-CB 4.04Å; V244-A259 HydrophobicContact CG2-CB 3.91Å; V244-L260 HydrophobicContact CG1-CB 4.19Å; V244-I263 HydrophobicContact CG2-CD1 4.19Å
245Y97.7Very high96.5Very high58 Ų5837.9 Ų37.923%0.22720%0.196CC..Hα-helixtrans-63-38.6177.6-166-107000111.9L241 Y249 M282 S285 L286L241-Y245 VanDerWaalsContact O-CB 3.25Å; L241-Y245 WeakPolarHBondContact O-CB 3.28Å; L241-Y245 PolarHBondContact O-N 2.82Å; Y245-Y249 HydrophobicContact CD1-CD2 4.45Å; Y245-Y249 HydrophobicContact CD1-CE2 4.38Å; Y245-Y249 HydrophobicContact CD2-CE2 4.2Å; Y245-Y249 HydrophobicContact CE1-CD2 4.25Å; Y245-Y249 AromaticContact CE1-CE2 3.86Å; Y245-Y249 HydrophobicContact CE1-CE2 3.86Å; Y245-Y249 AromaticContact CE2-CE2 3.68Å; Y245-Y249 HydrophobicContact CE2-CE2 3.68Å; Y245-Y249 AromaticContact CZ-CE2 3.48Å; Y245-Y249 VanDerWaalsContact CZ-CE2 3.48Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.49Å; Y245-M282 HydrophobicContact CD1-CE 4.34Å; Y245-M282 HydrophobicContact CD2-CB 3.75Å; Y245-M282 HydrophobicContact CD2-CE 4.17Å; Y245-M282 HydrophobicContact CD2-CG 3.47Å; Y245-M282 VanDerWaalsContact CD2-CG 3.47Å; Y245-M282 HydrophobicContact CD2-SD 3.81Å; Y245-M282 HydrophobicContact CE2-CB 3.84Å; Y245-M282 HydrophobicContact CE2-CG 3.75Å; Y245-M282 HydrophobicContact CG-CE 3.79Å; Y245-M282 HydrophobicContact CG-CG 4.06Å; Y245-M282 HydrophobicContact CG-SD 4Å; Y245-S285 PolarHBondContact OH-OG 3.11Å; Y245-L286 HydrophobicContact CD2-CD2 4.42Å; Y245-L286 HydrophobicContact CE2-CD2 3.98Å
246H96.8Very high96.5Very high37 Ų3732.5 Ų32.517%0.17117%0.171CC..Hα-helixtrans-61.8-46.4171-171.8-84.9000111.9V192 Y200 T242 A243 V244 I248 Y249 N250V192-H246 HydrophobicContact CG1-CB 4.31Å; V192-H246 HydrophobicContact CG2-CB 4.05Å; Y200-H246 AromaticContact CE1-ND1 3.68Å; Y200-H246 AromaticContact CZ-CE1 3.76Å; Y200-H246 AromaticContact CZ-ND1 3.78Å; Y200-H246 PolarHBondContact OH-CE1 3.35Å; Y200-H246 VanDerWaalsContact OH-CE1 3.29Å; T242-H246 PolarHBondContact O-N 3.26Å; A243-H246 WeakPolarHBondContact O-CB 3.46Å; A243-H246 PolarHBondContact O-N 3.07Å; V244-H246 VanDerWaalsContact C-N 3.32Å; V244-H246 PolarHBondContact O-N 3.01Å; H246-I248 PolarHBondContact O-N 3Å; H246-Y249 PolarHBondContact O-N 3.4Å; H246-N250 PolarHBondContact CE1-ND2 3.44Å; H246-N250 PolarHBondContact ND1-ND2 3.33Å; H246-N250 PolarHBondContact NE2-ND2 2.93Å; H246-N250 WeakPolarHBondContact O-CB 3.38Å; H246-N250 PolarHBondContact O-N 3.49Å; H246-N250 PolarHBondContact O-ND2 3.05Å
247A97.1Very high96.5Very high0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-59.4-42.7-179.800000113Y200 C204 A243 V244 Y249 N250 G251 E252Y200-A247 HydrophobicContact CG-CB 4.26Å; C204-A247 VanDerWaalsContact SG-CB 3.55Å; A243-A247 PolarHBondContact O-N 3.2Å; V244-A247 WeakPolarHBondContact O-CB 3.45Å; V244-A247 PolarHBondContact O-N 3.09Å; V244-A247 VanDerWaalsContact O-N 3.13Å; A247-Y249 VanDerWaalsContact C-N 3.3Å; A247-Y249 PolarHBondContact O-N 3.22Å; A247-N250 CarbonylContact O-C 3.56Å; A247-N250 PolarHBondContact O-N 2.92Å; A247-G251 PolarHBondContact O-N 3.38Å; A247-E252 HydrophobicContact CB-CB 4.2Å; A247-E252 PolarHBondContact O-N 2.85Å
248I95.5Very high96.4Very high3 Ų340 Ų402%0.01520%0.203CC..Hα-helixtrans-54-44.5178-70169000111.8V244 H246 W253 L260 L286V244-I248 HydrophobicContact CG1-CD1 4.09Å; V244-I248 HydrophobicContact CG1-CG1 4.48Å; V244-I248 VanDerWaalsContact O-CG1 3.32Å; V244-I248 WeakPolarHBondContact O-CG1 3.32Å; V244-I248 PolarHBondContact O-N 3.4Å; H246-I248 PolarHBondContact O-N 3Å; I248-W253 HydrophobicContact CG2-CD2 4.43Å; I248-W253 HydrophobicContact CG2-CE3 3.38Å; I248-W253 HydrophobicContact CG2-CZ3 3.5Å; I248-W253 VanDerWaalsContact CG2-CZ3 3.5Å; I248-L260 HydrophobicContact CD1-CD2 4.3Å; I248-L286 HydrophobicContact CD1-CD1 4.18Å; I248-L286 HydrophobicContact CD1-CD2 4.4Å; I248-L286 HydrophobicContact CG2-CD2 3.83Å
249Y93.9Very high96.4Very high56 Ų5638.4 Ų38.422%0.2219%0.193CC..Hα-helixtrans-84.9-5-179-72.1-70.8000114.5Y245 H246 A247 S285 L286 P291 V299Y245-Y249 HydrophobicContact CD1-CD2 4.45Å; Y245-Y249 HydrophobicContact CD1-CE2 4.38Å; Y245-Y249 HydrophobicContact CD2-CE2 4.2Å; Y245-Y249 HydrophobicContact CE1-CD2 4.25Å; Y245-Y249 AromaticContact CE1-CE2 3.86Å; Y245-Y249 HydrophobicContact CE1-CE2 3.86Å; Y245-Y249 AromaticContact CE2-CE2 3.68Å; Y245-Y249 HydrophobicContact CE2-CE2 3.68Å; Y245-Y249 AromaticContact CZ-CE2 3.48Å; Y245-Y249 VanDerWaalsContact CZ-CE2 3.48Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.49Å; H246-Y249 PolarHBondContact O-N 3.4Å; A247-Y249 VanDerWaalsContact C-N 3.3Å; A247-Y249 PolarHBondContact O-N 3.22Å; Y249-S285 PolarHBondContact OH-O 2.86Å; Y249-L286 HydrophobicContact CE2-CD2 3.87Å; Y249-L286 WeakPolarHBondContact OH-CD2 3.38Å; Y249-P291 HydrophobicContact CD1-CG 3.82Å; Y249-P291 HydrophobicContact CE1-CG 4.01Å; Y249-V299 HydrophobicContact CD1-CG1 3.57Å; Y249-V299 HydrophobicContact CE1-CG1 3.21Å
250N93.6Very high96.4Very high75 Ų7537 Ų3740%0.40119%0.187SC..THydrogen-bonded Turntrans-118.730.4-177.8-71.2-87.9000112.8Y200 H246 A247Y200-N250 HydrophobicContact CD2-CB 4.28Å; Y200-N250 HydrophobicContact CE2-CB 3.79Å; H246-N250 PolarHBondContact CE1-ND2 3.44Å; H246-N250 PolarHBondContact ND1-ND2 3.33Å; H246-N250 PolarHBondContact NE2-ND2 2.93Å; H246-N250 WeakPolarHBondContact O-CB 3.38Å; H246-N250 PolarHBondContact O-N 3.49Å; H246-N250 PolarHBondContact O-ND2 3.05Å; A247-N250 CarbonylContact O-C 3.56Å; A247-N250 PolarHBondContact O-N 2.92Å
251G89.6Confident96.4Very high58 Ų5840.6 Ų40.660%0.59820%0.204SC*.THydrogen-bonded Turntrans110.6-16.7169.100000115.5A247 W253A247-G251 PolarHBondContact O-N 3.38Å; G251-W253 PolarHBondContact O-N 3.25Å
252E94.6Very high96.3Very high19 Ų1940.7 Ų40.79%0.08920%0.204CC..  trans-99.858.8-176.6-67.9-58.8159.600112.3L197 Q201 A247 M255 G256L197-E252 HydrophobicContact CD1-CG 3.76Å; L197-E252 WeakPolarHBondContact CD1-OE1 3.48Å; L197-E252 HydrophobicContact CG-CG 4.46Å; L197-E252 WeakPolarHBondContact CG-OE1 3.42Å; Q201-E252 HydrophobicContact CG-CG 4Å; Q201-E252 WeakPolarHBondContact CG-OE1 3.5Å; Q201-E252 PolarHBondContact NE2-OE1 3.35Å; A247-E252 HydrophobicContact CB-CB 4.2Å; A247-E252 PolarHBondContact O-N 2.85Å; E252-M255 WeakPolarHBondContact OE2-CE 3.49Å; E252-G256 WeakPolarHBondContact O-CA 3.48Å; E252-G256 PolarHBondContact O-N 3.47Å
253W94.5Very high96.4Very high34 Ų3437.8 Ų37.813%0.12919%0.186CC..Hα-helixtrans-62-52.5-176.3-179.2-104.6000113.4I248 G251 R257 L286 P287 S289 A290 P291I248-W253 HydrophobicContact CG2-CD2 4.43Å; I248-W253 HydrophobicContact CG2-CE3 3.38Å; I248-W253 HydrophobicContact CG2-CZ3 3.5Å; I248-W253 VanDerWaalsContact CG2-CZ3 3.5Å; G251-W253 PolarHBondContact O-N 3.25Å; W253-R257 VanDerWaalsContact CZ2-NH1 3.34Å; W253-R257 WeakPolarHBondContact O-CB 3.3Å; W253-R257 WeakPolarHBondContact O-CG 3.15Å; W253-R257 PolarHBondContact O-N 2.87Å; W253-L286 HydrophobicContact CH2-CB 4.28Å; W253-L286 HydrophobicContact CZ3-CD2 4.46Å; W253-P287 HydrophobicContact CH2-CG 3.78Å; W253-P287 VanDerWaalsContact CH2-O 3.26Å; W253-P287 WeakPolarHBondContact CH2-O 3.26Å; W253-P287 WeakPolarHBondContact CZ2-O 3.39Å; W253-P287 HydrophobicContact CZ3-CG 4.16Å; W253-S289 WeakPolarHBondContact CH2-O 3.45Å; W253-S289 WeakPolarHBondContact CZ2-O 3.45Å; W253-A290 HydrophobicContact CB-CB 4.01Å; W253-A290 HydrophobicContact CD2-CB 3.72Å; W253-A290 HydrophobicContact CE3-CB 4.31Å; W253-A290 HydrophobicContact CG-CB 3.55Å; W253-P291 HydrophobicContact CZ3-CG 4.35Å
254E94.9Very high96.4Very high162 Ų16238.4 Ų38.476%0.75719%0.19SC*.Hα-helixtrans-69.9-55.6-171.9-63.4-175.5166.700111.6G256 R257 E258E254-G256 VanDerWaalsContact C-N 3.29Å; E254-G256 PolarHBondContact O-N 3.46Å; E254-R257 PolarHBondContact O-N 3.25Å; E254-E258 WeakPolarHBondContact O-CB 3.44Å; E254-E258 PolarHBondContact O-N 2.97Å
255M95.9Very high96.4Very high54 Ų5440.3 Ų40.327%0.26620%0.197SC..Hα-helixtrans-64.2-33.5177.6-76-171.6-71.200112.3Q201 C204 E252 A259Q201-M255 HydrophobicContact CB-CE 3.95Å; Q201-M255 HydrophobicContact CG-CE 3.55Å; C204-M255 HydrophobicContact CB-CB 3.93Å; E252-M255 WeakPolarHBondContact OE2-CE 3.49Å; M255-A259 VanDerWaalsContact O-CB 3.26Å; M255-A259 WeakPolarHBondContact O-CB 3.42Å; M255-A259 PolarHBondContact O-N 3.39Å
256G97.3Very high96.4Very high0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-67.5-43.1175.500000112.7V244 E252 E254 A259 L260V244-G256 WeakPolarHBondContact CG1-O 3.42Å; E252-G256 WeakPolarHBondContact O-CA 3.48Å; E252-G256 PolarHBondContact O-N 3.47Å; E254-G256 VanDerWaalsContact C-N 3.29Å; E254-G256 PolarHBondContact O-N 3.46Å; G256-A259 PolarHBondContact O-N 2.95Å; G256-L260 WeakPolarHBondContact O-CB 3.03Å; G256-L260 PolarHBondContact O-N 3.04Å
257R96.8Very high96.4Very high82 Ų8235.8 Ų35.831%0.30918%0.179SC..Hα-helixtrans-64.9-42.7173.8-79.7-177.260.5164.7-2.5112.5W253 E254 A259 L260 E261 L286 E288W253-R257 VanDerWaalsContact CZ2-NH1 3.34Å; W253-R257 WeakPolarHBondContact O-CB 3.3Å; W253-R257 WeakPolarHBondContact O-CG 3.15Å; W253-R257 PolarHBondContact O-N 2.87Å; E254-R257 PolarHBondContact O-N 3.25Å; R257-A259 PolarHBondContact O-N 3.37Å; R257-L260 PolarHBondContact O-N 2.85Å; R257-E261 WeakPolarHBondContact O-CG 3.46Å; R257-E261 PolarHBondContact O-N 2.96Å; R257-L286 HydrophobicContact CG-CD1 3.82Å; R257-E288 PolarHBondContact NH1-O 3.17Å
258E96.8Very high96.5Very high77 Ų7740.7 Ų40.736%0.3620%0.201SC..Hα-helixtrans-58.4-47.8174.8-176.8-179.6-168.600111.1K221 E254 L260 E261 D262K221-E258 VanDerWaalsContact CD-OE1 3.22Å; K221-E258 WeakPolarHBondContact CD-OE1 3.49Å; K221-E258 WeakPolarHBondContact CE-OE1 3.31Å; K221-E258 VanDerWaalsContact NZ-CG 3.29Å; K221-E258 IonicContact NZ-OE1 2.96Å; K221-E258 PolarHBondContact NZ-OE1 3.47Å; E254-E258 WeakPolarHBondContact O-CB 3.44Å; E254-E258 PolarHBondContact O-N 2.97Å; E258-L260 PolarHBondContact O-N 3.23Å; E258-E261 PolarHBondContact O-N 3.07Å; E258-D262 WeakPolarHBondContact O-CB 3.45Å; E258-D262 PolarHBondContact O-N 3.05Å
259A98.3Very high96.6Very high0 Ų044.7 Ų44.70%022%0.222CC..Hα-helixtrans-61.8-42.317700000112.5C204 V244 M255 G256 R257 D262 I263C204-A259 HydrophobicContact CB-CB 4.15Å; C204-A259 WeakPolarHBondContact O-CB 3.4Å; V244-A259 HydrophobicContact CG1-CB 4.04Å; V244-A259 HydrophobicContact CG2-CB 3.91Å; M255-A259 VanDerWaalsContact O-CB 3.26Å; M255-A259 WeakPolarHBondContact O-CB 3.42Å; M255-A259 PolarHBondContact O-N 3.39Å; G256-A259 PolarHBondContact O-N 2.95Å; R257-A259 PolarHBondContact O-N 3.37Å; A259-D262 PolarHBondContact O-N 3.01Å; A259-I263 WeakPolarHBondContact O-CD1 3.35Å; A259-I263 VanDerWaalsContact O-CG1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.5Å; A259-I263 PolarHBondContact O-N 3.21Å
260L98.6Very high96.7Very high3 Ų345 Ų452%0.01623%0.226CC..Hα-helixtrans-60.4-46.6175.917560.6000111.6L241 V244 I248 G256 R257 E258 D262 I263 V264 M282 K283 L286L241-L260 HydrophobicContact CD2-CD1 3.43Å; L241-L260 VanDerWaalsContact CD2-CD1 3.43Å; V244-L260 HydrophobicContact CG1-CB 4.19Å; I248-L260 HydrophobicContact CD1-CD2 4.3Å; G256-L260 WeakPolarHBondContact O-CB 3.03Å; G256-L260 PolarHBondContact O-N 3.04Å; R257-L260 PolarHBondContact O-N 2.85Å; E258-L260 PolarHBondContact O-N 3.23Å; L260-D262 VanDerWaalsContact C-N 3.33Å; L260-D262 PolarHBondContact O-N 3.33Å; L260-I263 PolarHBondContact O-N 3.41Å; L260-V264 HydrophobicContact CD1-CG2 4.42Å; L260-V264 WeakPolarHBondContact O-CG2 3.37Å; L260-V264 PolarHBondContact O-N 2.82Å; L260-M282 HydrophobicContact CD1-CB 4.12Å; L260-M282 HydrophobicContact CD1-SD 4.32Å; L260-M282 HydrophobicContact CD2-CB 4.19Å; L260-K283 HydrophobicContact CD2-CB 4.37Å; L260-L286 HydrophobicContact CD2-CD1 3.87Å
261E98.1Very high96.9Very high75 Ų7548.6 Ų48.635%0.3524%0.244SC..Hα-helixtrans-65.7-34.8177.9-71.4-173.1-176.500112.8R217 R257 E258 Y265R217-E261 PolarHBondContact NH1-O 2.89Å; R257-E261 WeakPolarHBondContact O-CG 3.46Å; R257-E261 PolarHBondContact O-N 2.96Å; E258-E261 PolarHBondContact O-N 3.07Å; E261-Y265 VanDerWaalsContact O-CB 3.3Å; E261-Y265 WeakPolarHBondContact O-CB 3.49Å; E261-Y265 PolarHBondContact O-N 2.86Å
262D98.3Very high97.4Very high1 Ų149 Ų491%0.00523%0.228CC..Hα-helixtrans-71.2-39175.8-70.4-14.2000112.8S208 C211 V212 R217 K221 E258 A259 L260 Y265 R266S208-D262 VanDerWaalsContact CB-OD2 3.3Å; S208-D262 WeakPolarHBondContact CB-OD2 3.32Å; S208-D262 PolarHBondContact OG-OD2 3.4Å; C211-D262 HydrophobicContact CB-CB 4.24Å; V212-D262 HydrophobicContact CG1-CB 3.81Å; R217-D262 WeakPolarHBondContact CD-OD1 3.42Å; R217-D262 IonicContact CZ-OD1 3.19Å; R217-D262 IonicContact NE-OD1 2.72Å; R217-D262 IonicContact NH1-OD1 2.78Å; R217-D262 PolarHBondContact NH1-OD1 3.27Å; K221-D262 WeakPolarHBondContact CE-OD2 3.13Å; K221-D262 IonicContact NZ-OD1 2.84Å; K221-D262 PolarHBondContact NZ-OD1 2.89Å; K221-D262 IonicContact NZ-OD2 3.27Å; K221-D262 PolarHBondContact NZ-OD2 3.36Å; E258-D262 WeakPolarHBondContact O-CB 3.45Å; E258-D262 PolarHBondContact O-N 3.05Å; A259-D262 PolarHBondContact O-N 3.01Å; L260-D262 VanDerWaalsContact C-N 3.33Å; L260-D262 PolarHBondContact O-N 3.33Å; D262-Y265 PolarHBondContact O-N 3.25Å; D262-R266 WeakPolarHBondContact O-CB 3.31Å; D262-R266 PolarHBondContact O-N 2.74Å
263I98.6Very high97.5Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-62.3-46.5172.9-67.2161.5000110M237 M240 L241 V244 A259 L260 R266 A267M237-I263 HydrophobicContact CE-CG2 3.75Å; M237-I263 WeakPolarHBondContact CE-O 3.33Å; M240-I263 HydrophobicContact CB-CD1 4.13Å; L241-I263 HydrophobicContact CD1-CG2 4.08Å; L241-I263 HydrophobicContact CD2-CB 4.09Å; L241-I263 HydrophobicContact CD2-CD1 3.77Å; L241-I263 HydrophobicContact CD2-CG2 3.73Å; L241-I263 HydrophobicContact CG-CD1 4.1Å; L241-I263 HydrophobicContact CG-CG2 3.8Å; V244-I263 HydrophobicContact CG2-CD1 4.19Å; A259-I263 WeakPolarHBondContact O-CD1 3.35Å; A259-I263 VanDerWaalsContact O-CG1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.5Å; A259-I263 PolarHBondContact O-N 3.21Å; L260-I263 PolarHBondContact O-N 3.41Å; I263-R266 PolarHBondContact O-N 2.95Å; I263-A267 WeakPolarHBondContact O-CB 3.37Å; I263-A267 PolarHBondContact O-N 2.78Å
264V98.4Very high97.7Very high12 Ų1255.6 Ų55.67%0.07327%0.27CS..Hα-helixtrans-61.9-45.5177.3169.30000111L260 R266 A267 Q268 L276L260-V264 HydrophobicContact CD1-CG2 4.42Å; L260-V264 WeakPolarHBondContact O-CG2 3.37Å; L260-V264 PolarHBondContact O-N 2.82Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 3.21Å; V264-A267 PolarHBondContact O-N 3.48Å; V264-Q268 VanDerWaalsContact O-CG 3.31Å; V264-Q268 WeakPolarHBondContact O-CG 3.44Å; V264-Q268 PolarHBondContact O-N 3.38Å; V264-L276 HydrophobicContact CG1-CD1 3.99Å
265Y98.4Very high97.8Very high40 Ų4047.9 Ų47.916%0.15723%0.234CC..Hα-helixtrans-56.3-44.9174.2166.6-101.4000112F215 R217 E261 D262 Q268 L269F215-Y265 HydrophobicContact CB-CE1 4.15Å; R217-Y265 HydrophobicContact CB-CD1 4.15Å; R217-Y265 HydrophobicContact CB-CE1 3.52Å; R217-Y265 HydrophobicContact CB-CE2 4.31Å; R217-Y265 HydrophobicContact CG-CD1 4.49Å; R217-Y265 HydrophobicContact CG-CE1 4.33Å; R217-Y265 VanDerWaalsContact NE-CG 3.32Å; E261-Y265 VanDerWaalsContact O-CB 3.3Å; E261-Y265 WeakPolarHBondContact O-CB 3.49Å; E261-Y265 PolarHBondContact O-N 2.86Å; D262-Y265 PolarHBondContact O-N 3.25Å; Y265-Q268 PolarHBondContact O-N 2.75Å; Y265-L269 HydrophobicContact CD1-CD1 4.38Å; Y265-L269 HydrophobicContact CE1-CD1 3.74Å; Y265-L269 HydrophobicContact CE2-CD1 4.05Å; Y265-L269 HydrophobicContact CE2-CG 4.44Å; Y265-L269 WeakPolarHBondContact O-CG 3.41Å; Y265-L269 PolarHBondContact O-N 2.72Å
266R98.1Very high98Very high1 Ų147.4 Ų47.40%0.00423%0.233CC..Hα-helixtrans-67.8-41.6178.3-176.757.8179.8-72.3-5.6112.2V210 C211 F215 V230 L232 M237 D262 I263 V264 Q268 L269 E270V210-R266 PolarHBondContact O-NH1 3.33Å; V210-R266 VanDerWaalsContact O-NH1 3.14Å; C211-R266 HydrophobicContact CB-CB 3.79Å; C211-R266 HydrophobicContact CB-CG 4.28Å; C211-R266 WeakPolarHBondContact O-CD 3.44Å; C211-R266 PolarHBondContact O-NH1 3.2Å; F215-R266 VanDerWaalsContact CE2-CZ 3.48Å; V230-R266 PolarHBondContact O-NH1 2.81Å; V230-R266 PolarHBondContact O-NH2 2.85Å; L232-R266 HydrophobicContact CD1-CG 4.36Å; M237-R266 HydrophobicContact CE-CB 4Å; M237-R266 HydrophobicContact CE-CG 4.01Å; M237-R266 HydrophobicContact SD-CG 4.5Å; D262-R266 WeakPolarHBondContact O-CB 3.31Å; D262-R266 PolarHBondContact O-N 2.74Å; I263-R266 PolarHBondContact O-N 2.95Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 3.21Å; R266-Q268 VanDerWaalsContact C-N 3.28Å; R266-Q268 PolarHBondContact O-N 3Å; R266-L269 PolarHBondContact O-N 2.72Å; R266-E270 HydrophobicContact CG-CG 4.36Å; R266-E270 IonicContact CZ-OE1 3.93Å; R266-E270 IonicContact NE-OE1 2.81Å; R266-E270 PolarHBondContact NE-OE1 3.41Å; R266-E270 IonicContact NH2-OE1 3.65Å; R266-E270 PolarHBondContact NH2-OE1 2.63Å; R266-E270 WeakPolarHBondContact O-CG 3.4Å; R266-E270 PolarHBondContact O-N 2.84Å
267A98.3Very high98Very high0 Ų053.6 Ų53.60%027%0.265CS..Hα-helixtrans-63.3-33177.100000112.5M237 I263 V264 L271 Y272 P275 L276M237-A267 HydrophobicContact CE-CB 4Å; I263-A267 WeakPolarHBondContact O-CB 3.37Å; I263-A267 PolarHBondContact O-N 2.78Å; V264-A267 PolarHBondContact O-N 3.48Å; A267-L271 CarbonylContact O-C 3.56Å; A267-L271 WeakPolarHBondContact O-CA 3.26Å; A267-L271 PolarHBondContact O-N 3.22Å; A267-Y272 PolarHBondContact O-N 3.01Å; A267-P275 HydrophobicContact CB-CB 4.21Å; A267-P275 HydrophobicContact CB-CG 3.94Å; A267-L276 HydrophobicContact CB-CB 4.02Å
268Q98.1Very high98.1Very high103 Ų10352.3 Ų52.348%0.48126%0.264SS..Hα-helixtrans-66.4-42.9172.3-72.9171.8-13.100112.3V264 Y265 R266 L271 L276V264-Q268 VanDerWaalsContact O-CG 3.31Å; V264-Q268 WeakPolarHBondContact O-CG 3.44Å; V264-Q268 PolarHBondContact O-N 3.38Å; Y265-Q268 PolarHBondContact O-N 2.75Å; R266-Q268 VanDerWaalsContact C-N 3.28Å; R266-Q268 PolarHBondContact O-N 3Å; Q268-L271 PolarHBondContact O-N 2.98Å; Q268-L276 HydrophobicContact CG-CD1 3.66Å; Q268-L276 HydrophobicContact CG-CD2 4.35Å
269L97.6Very high98.2Very high86 Ų8648.6 Ų48.645%0.4525%0.247SC..Hα-helixtrans-68.4-38.2179.8-68.8-179.1000113.3F215 Y265 R266F215-L269 HydrophobicContact CD1-CD1 3.47Å; F215-L269 VanDerWaalsContact CD1-CD1 3.47Å; F215-L269 HydrophobicContact CE1-CD1 3.73Å; F215-L269 HydrophobicContact CG-CD1 4.26Å; Y265-L269 HydrophobicContact CD1-CD1 4.38Å; Y265-L269 HydrophobicContact CE1-CD1 3.74Å; Y265-L269 HydrophobicContact CE2-CD1 4.05Å; Y265-L269 HydrophobicContact CE2-CG 4.44Å; Y265-L269 WeakPolarHBondContact O-CG 3.41Å; Y265-L269 PolarHBondContact O-N 2.72Å; R266-L269 PolarHBondContact O-N 2.72Å
270E97Very high98.1Very high63 Ų6351.5 Ų51.529%0.29426%0.262SS..THydrogen-bonded Turntrans-90-0.7-180-53.8-75.3-168.700112.8R266 Y272R266-E270 HydrophobicContact CG-CG 4.36Å; R266-E270 IonicContact CZ-OE1 3.93Å; R266-E270 IonicContact NE-OE1 2.81Å; R266-E270 PolarHBondContact NE-OE1 3.41Å; R266-E270 IonicContact NH2-OE1 3.65Å; R266-E270 PolarHBondContact NH2-OE1 2.63Å; R266-E270 WeakPolarHBondContact O-CG 3.4Å; R266-E270 PolarHBondContact O-N 2.84Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; E270-Y272 HydrophobicContact CB-CD1 4.03Å; E270-Y272 HydrophobicContact CB-CD2 3.79Å; E270-Y272 HydrophobicContact CB-CE1 3.88Å; E270-Y272 HydrophobicContact CB-CE2 3.63Å; E270-Y272 HydrophobicContact CB-CG 3.97Å; E270-Y272 HydrophobicContact CG-CD2 4.48Å; E270-Y272 HydrophobicContact CG-CE2 4.06Å; E270-Y272 VanDerWaalsContact O-CD1 3.31Å; E270-Y272 WeakPolarHBondContact O-CD1 3.31Å; E270-Y272 PolarHBondContact O-N 3.25Å
271L97.9Very high98.1Very high151 Ų15154 Ų5479%0.79128%0.283SS*.THydrogen-bonded Turntrans57.231.6-177-56.3173.5000114.7A267 Q268 S273A267-L271 CarbonylContact O-C 3.56Å; A267-L271 WeakPolarHBondContact O-CA 3.26Å; A267-L271 PolarHBondContact O-N 3.22Å; Q268-L271 PolarHBondContact O-N 2.98Å; L271-S273 PolarHBondContact O-N 2.8Å
272Y98.3Very high98.1Very high66 Ų6651.2 Ų51.226%0.25927%0.27SS..  trans-80.6103.6-179.2-65.5-19.8000112.3L232 P234 M237 A267 E270 Q274 L276L232-Y272 WeakPolarHBondContact O-CE2 3.43Å; L232-Y272 PolarHBondContact O-OH 2.97Å; P234-Y272 HydrophobicContact CB-CD1 4.48Å; P234-Y272 HydrophobicContact CB-CD2 4.04Å; P234-Y272 HydrophobicContact CB-CG 4Å; M237-Y272 HydrophobicContact SD-CD2 3.79Å; M237-Y272 HydrophobicContact SD-CE2 4.18Å; A267-Y272 PolarHBondContact O-N 3.01Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; E270-Y272 HydrophobicContact CB-CD1 4.03Å; E270-Y272 HydrophobicContact CB-CD2 3.79Å; E270-Y272 HydrophobicContact CB-CE1 3.88Å; E270-Y272 HydrophobicContact CB-CE2 3.63Å; E270-Y272 HydrophobicContact CB-CG 3.97Å; E270-Y272 HydrophobicContact CG-CD2 4.48Å; E270-Y272 HydrophobicContact CG-CE2 4.06Å; E270-Y272 VanDerWaalsContact O-CD1 3.31Å; E270-Y272 WeakPolarHBondContact O-CD1 3.31Å; E270-Y272 PolarHBondContact O-N 3.25Å; Y272-Q274 PolarHBondContact O-N 3.19Å; Y272-L276 WeakPolarHBondContact O-CB 2.98Å; Y272-L276 PolarHBondContact O-N 3.26Å
273S98.1Very high97.9Very high89 Ų8956.2 Ų56.262%0.62229%0.292SS*.Hα-helixtrans-60.8-43.7-175.158.10000114.4L271 L276 L277L271-S273 PolarHBondContact O-N 2.8Å; S273-L276 PolarHBondContact O-N 3.5Å; S273-L277 VanDerWaalsContact O-CB 3.26Å; S273-L277 WeakPolarHBondContact O-CB 3.48Å; S273-L277 PolarHBondContact O-N 3.4Å
274Q97.8Very high97.7Very high102 Ų10262.8 Ų62.848%0.47733%0.327SS..Hα-helixtrans-63.1-57.7-176.6-65.7179.43.600113.4V238 Y272 L276 L277 L278V238-Q274 HydrophobicContact CG2-CB 4.11Å; Y272-Q274 PolarHBondContact O-N 3.19Å; Q274-L276 VanDerWaalsContact C-N 3.28Å; Q274-L276 PolarHBondContact O-N 2.83Å; Q274-L277 PolarHBondContact O-N 2.86Å; Q274-L278 PolarHBondContact O-N 2.96Å
275P98.3Very high97.5Very high0 Ų064.8 Ų64.80%034%0.341CS..Hα-helixtrans-66.8-28.4177.226.7-35.4000112.6P234 M237 V238 L241 A267 G279P234-P275 HydrophobicContact CB-CG 4.41Å; M237-P275 HydrophobicContact CB-CB 3.76Å; M237-P275 HydrophobicContact CB-CG 4.07Å; M237-P275 HydrophobicContact CE-CB 4.37Å; M237-P275 HydrophobicContact CE-CG 4.37Å; M237-P275 HydrophobicContact SD-CG 4.44Å; V238-P275 HydrophobicContact CG2-CB 4.37Å; L241-P275 HydrophobicContact CD1-CB 3.93Å; L241-P275 WeakPolarHBondContact CD1-O 3.4Å; A267-P275 HydrophobicContact CB-CB 4.21Å; A267-P275 HydrophobicContact CB-CG 3.94Å; P275-G279 WeakPolarHBondContact O-CA 3.38Å; P275-G279 PolarHBondContact O-N 2.96Å
276L98.4Very high97.2Very high45 Ų4564.2 Ų64.224%0.23634%0.341CS..Hα-helixtrans-67.5-43.9174.4-176.857000112V264 A267 Q268 Y272 S273 Q274 N280V264-L276 HydrophobicContact CG1-CD1 3.99Å; A267-L276 HydrophobicContact CB-CB 4.02Å; Q268-L276 HydrophobicContact CG-CD1 3.66Å; Q268-L276 HydrophobicContact CG-CD2 4.35Å; Y272-L276 WeakPolarHBondContact O-CB 2.98Å; Y272-L276 PolarHBondContact O-N 3.26Å; S273-L276 PolarHBondContact O-N 3.5Å; Q274-L276 VanDerWaalsContact C-N 3.28Å; Q274-L276 PolarHBondContact O-N 2.83Å; L276-N280 WeakPolarHBondContact CD1-ND2 3.16Å; L276-N280 WeakPolarHBondContact O-CB 3.41Å; L276-N280 VanDerWaalsContact O-CG 3.28Å; L276-N280 PolarHBondContact O-N 3.19Å; L276-N280 PolarHBondContact O-ND2 2.87Å
277L98.4Very high96.7Very high129 Ų12966.7 Ų66.768%0.67536%0.357SS*.Hα-helixtrans-61.5-51.9175.6174.662.3000110.9S273 Q274 N280 A281S273-L277 VanDerWaalsContact O-CB 3.26Å; S273-L277 WeakPolarHBondContact O-CB 3.48Å; S273-L277 PolarHBondContact O-N 3.4Å; Q274-L277 PolarHBondContact O-N 2.86Å; L277-N280 PolarHBondContact O-N 3Å; L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.36Å
278L98.3Very high96Very high55 Ų5575.9 Ų75.929%0.28840%0.4SS..Hα-helixtrans-65.3-44.2-178.1-176.960.5000111.8V238 L241 Q274 N280 A281 M282V238-L278 HydrophobicContact CB-CD2 4.44Å; V238-L278 HydrophobicContact CG1-CD2 3.85Å; V238-L278 HydrophobicContact CG2-CD2 4.38Å; L241-L278 HydrophobicContact CB-CD2 3.97Å; L241-L278 HydrophobicContact CB-CG 4.43Å; L241-L278 HydrophobicContact CD1-CB 3.97Å; L241-L278 HydrophobicContact CD1-CD2 3.99Å; L241-L278 HydrophobicContact CD1-CG 4.04Å; Q274-L278 PolarHBondContact O-N 2.96Å; L278-N280 PolarHBondContact O-N 3.39Å; L278-A281 PolarHBondContact O-N 2.94Å; L278-M282 HydrophobicContact CD1-CE 3.87Å; L278-M282 HydrophobicContact CD1-CG 4.44Å; L278-M282 HydrophobicContact CD2-CE 4.02Å; L278-M282 HydrophobicContact CG-CE 3.79Å; L278-M282 HydrophobicContact CG-SD 4.17Å; L278-M282 WeakPolarHBondContact O-CB 3.23Å; L278-M282 VanDerWaalsContact O-CG 3.29Å; L278-M282 WeakPolarHBondContact O-CG 3.42Å; L278-M282 PolarHBondContact O-N 3.27Å
279G98.3Very high95.3Very high0 Ų075 Ų750%041%0.405CS..Hα-helixtrans-64.3-38.2178.700000113.2P275 K283P275-G279 WeakPolarHBondContact O-CA 3.38Å; P275-G279 PolarHBondContact O-N 2.96Å; G279-K283 WeakPolarHBondContact O-CB 3.49Å; G279-K283 PolarHBondContact O-N 3.09Å
280N97.9Very high94.6Very high61 Ų6173 Ų7333%0.32640%0.402SS..Hα-helixtrans-68.4-41172.7-75.7-36.4000112.2L276 L277 L278 K283 N284L276-N280 WeakPolarHBondContact CD1-ND2 3.16Å; L276-N280 WeakPolarHBondContact O-CB 3.41Å; L276-N280 VanDerWaalsContact O-CG 3.28Å; L276-N280 PolarHBondContact O-N 3.19Å; L276-N280 PolarHBondContact O-ND2 2.87Å; L277-N280 PolarHBondContact O-N 3Å; L278-N280 PolarHBondContact O-N 3.39Å; N280-K283 PolarHBondContact O-N 3Å; N280-N284 WeakPolarHBondContact O-CB 3.41Å; N280-N284 PolarHBondContact O-N 3.33Å; N280-N284 PolarHBondContact O-ND2 3.04Å
281A98Very high93.5Very high55 Ų5572.5 Ų72.546%0.45540%0.403SS..Hα-helixtrans-61.2-44.6175.500000111.6L277 L278 N284 S285L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.36Å; L278-A281 PolarHBondContact O-N 2.94Å; A281-N284 PolarHBondContact O-N 3.16Å; A281-S285 PolarHBondContact O-N 3.38Å; A281-S285 VanDerWaalsContact O-N 3.11Å; A281-S285 PolarHBondContact O-OG 3.35Å
282M97.3Very high92Very high17 Ų1774.1 Ų74.18%0.08441%0.407CS..Hα-helixtrans-60.4-48.6173.2-72.5176.1170.200111.6L241 Y245 L260 L278 N284 S285 L286L241-M282 HydrophobicContact CB-CE 4.01Å; L241-M282 HydrophobicContact CB-SD 3.88Å; L241-M282 HydrophobicContact CD2-SD 4.02Å; L241-M282 HydrophobicContact CG-SD 4.45Å; L241-M282 WeakPolarHBondContact O-CE 3.39Å; Y245-M282 HydrophobicContact CD1-CE 4.34Å; Y245-M282 HydrophobicContact CD2-CB 3.75Å; Y245-M282 HydrophobicContact CD2-CE 4.17Å; Y245-M282 HydrophobicContact CD2-CG 3.47Å; Y245-M282 VanDerWaalsContact CD2-CG 3.47Å; Y245-M282 HydrophobicContact CD2-SD 3.81Å; Y245-M282 HydrophobicContact CE2-CB 3.84Å; Y245-M282 HydrophobicContact CE2-CG 3.75Å; Y245-M282 HydrophobicContact CG-CE 3.79Å; Y245-M282 HydrophobicContact CG-CG 4.06Å; Y245-M282 HydrophobicContact CG-SD 4Å; L260-M282 HydrophobicContact CD1-CB 4.12Å; L260-M282 HydrophobicContact CD1-SD 4.32Å; L260-M282 HydrophobicContact CD2-CB 4.19Å; L278-M282 HydrophobicContact CD1-CE 3.87Å; L278-M282 HydrophobicContact CD1-CG 4.44Å; L278-M282 HydrophobicContact CD2-CE 4.02Å; L278-M282 HydrophobicContact CG-CE 3.79Å; L278-M282 HydrophobicContact CG-SD 4.17Å; L278-M282 WeakPolarHBondContact O-CB 3.23Å; L278-M282 VanDerWaalsContact O-CG 3.29Å; L278-M282 WeakPolarHBondContact O-CG 3.42Å; L278-M282 PolarHBondContact O-N 3.27Å; M282-N284 VanDerWaalsContact C-N 3.26Å; M282-N284 PolarHBondContact O-N 2.87Å; M282-S285 PolarHBondContact O-N 3.48Å; M282-S285 PolarHBondContact O-OG 2.8Å; M282-L286 WeakPolarHBondContact O-CG 3.45Å; M282-L286 PolarHBondContact O-N 3.47Å
283K95.3Very high90.2Very high106 Ų10675.5 Ų75.546%0.46143%0.432SS..Hα-helixtrans-58.3-38.8179.3-175.9174.5-179.91720112.3L260 G279 N280 S285L260-K283 HydrophobicContact CD2-CB 4.37Å; G279-K283 WeakPolarHBondContact O-CB 3.49Å; G279-K283 PolarHBondContact O-N 3.09Å; N280-K283 PolarHBondContact O-N 3Å; K283-S285 VanDerWaalsContact C-N 3.34Å
284N94.6Very high88.1Confident138 Ų13877.4 Ų77.474%0.73844%0.442SS*.Hα-helixtrans-75.6-18.8177.8-66.8-17.2000113.6N280 A281 M282N280-N284 WeakPolarHBondContact O-CB 3.41Å; N280-N284 PolarHBondContact O-N 3.33Å; N280-N284 PolarHBondContact O-ND2 3.04Å; A281-N284 PolarHBondContact O-N 3.16Å; M282-N284 VanDerWaalsContact C-N 3.26Å; M282-N284 PolarHBondContact O-N 2.87Å
285S93.9Very high85.4Confident53 Ų5383.5 Ų83.537%0.37146%0.461SS..Hα-helixtrans-92.7-9.6176.569.60000114Y245 Y249 A281 M282 K283Y245-S285 PolarHBondContact OH-OG 3.11Å; Y249-S285 PolarHBondContact OH-O 2.86Å; A281-S285 PolarHBondContact O-N 3.38Å; A281-S285 VanDerWaalsContact O-N 3.11Å; A281-S285 PolarHBondContact O-OG 3.35Å; M282-S285 PolarHBondContact O-N 3.48Å; M282-S285 PolarHBondContact O-OG 2.8Å; K283-S285 VanDerWaalsContact C-N 3.34Å
286L91Very high82.8Confident28 Ų2887.9 Ų87.915%0.14751%0.506CS..SBendtrans-73.4139.2176.9-65.9-171.6000111.4Y245 I248 Y249 W253 R257 L260 M282Y245-L286 HydrophobicContact CD2-CD2 4.42Å; Y245-L286 HydrophobicContact CE2-CD2 3.98Å; I248-L286 HydrophobicContact CD1-CD1 4.18Å; I248-L286 HydrophobicContact CD1-CD2 4.4Å; I248-L286 HydrophobicContact CG2-CD2 3.83Å; Y249-L286 HydrophobicContact CE2-CD2 3.87Å; Y249-L286 WeakPolarHBondContact OH-CD2 3.38Å; W253-L286 HydrophobicContact CH2-CB 4.28Å; W253-L286 HydrophobicContact CZ3-CD2 4.46Å; R257-L286 HydrophobicContact CG-CD1 3.82Å; L260-L286 HydrophobicContact CD2-CD1 3.87Å; M282-L286 WeakPolarHBondContact O-CG 3.45Å; M282-L286 PolarHBondContact O-N 3.47Å
287P87.9Confident80.2Confident54 Ų5496.3 Ų96.335%0.35153%0.534SS..  trans-65.7161.1167.126-31000111.8W253 S289 P291W253-P287 HydrophobicContact CH2-CG 3.78Å; W253-P287 VanDerWaalsContact CH2-O 3.26Å; W253-P287 WeakPolarHBondContact CH2-O 3.26Å; W253-P287 WeakPolarHBondContact CZ2-O 3.39Å; W253-P287 HydrophobicContact CZ3-CG 4.16Å; P287-S289 VanDerWaalsContact C-N 3.3Å; P287-S289 WeakPolarHBondContact CG-O 3.5Å; P287-S289 PolarHBondContact O-N 3Å; P287-P291 HydrophobicContact CG-CG 4.34Å
288E84.1Confident77.8Confident192 Ų19299.1 Ų99.190%0.89754%0.541SS*.SBendtrans-60.2-41.4179.5-62.9-177.3163.800112.1R257R257-E288 PolarHBondContact NH1-O 3.17Å
289S83.1Confident75.7Confident85 Ų85100.6 Ų100.659%0.59455%0.552SS**SBendtrans-116.1163.7179.761.90000112.3W253 P287W253-S289 WeakPolarHBondContact CH2-O 3.45Å; W253-S289 WeakPolarHBondContact CZ2-O 3.45Å; P287-S289 VanDerWaalsContact C-N 3.3Å; P287-S289 WeakPolarHBondContact CG-O 3.5Å; P287-S289 PolarHBondContact O-N 3Å
290A82.9Confident73.3Confident45 Ų45106.6 Ų106.637%0.37258%0.584SS.*PPolyproline II helixtrans-57.7139.9177.500000111.9W253 E292W253-A290 HydrophobicContact CB-CB 4.01Å; W253-A290 HydrophobicContact CD2-CB 3.72Å; W253-A290 HydrophobicContact CE3-CB 4.31Å; W253-A290 HydrophobicContact CG-CB 3.55Å; A290-E292 PolarHBondContact O-N 3.21Å
291P73.7Confident70.8Confident51 Ų51111.8 Ų111.833%0.33161%0.606SS.*PPolyproline II helixtrans-61.3121170.7-1929.8000110.9Y249 W253 P287 A293Y249-P291 HydrophobicContact CD1-CG 3.82Å; Y249-P291 HydrophobicContact CE1-CG 4.01Å; W253-P291 HydrophobicContact CZ3-CG 4.35Å; P287-P291 HydrophobicContact CG-CG 4.34Å; P291-A293 PolarHBondContact O-N 2.94Å
292E67.1Low68.5Low186 Ų186114.6 Ų114.687%0.86962%0.617SS**PPolyproline II helixtrans-67118.6172.7-67-176168.300110.7A290A290-E292 PolarHBondContact O-N 3.21Å
293A60.2Low66.1Low95 Ų95121.8 Ų121.879%0.78565%0.651SS**THydrogen-bonded Turntrans-87.6148.8176.800000112.2P291P291-A293 PolarHBondContact O-N 2.94Å
294P54.3Low63.9Low128 Ų128121.9 Ų121.983%0.83166%0.66SS**THydrogen-bonded Turncis-121.174.1-18.937.4-21000110
295R41.4Very low61.6Low231 Ų231121.1 Ų121.187%0.87266%0.66SS**SBendtrans-92122.7157.2-76-172.4177.2-171.10.4107.3R297R295-R297 PolarHBondContact O-N 3.03Å
296G43.3Very low59.1Low91 Ų91123.7 Ų123.794%0.93868%0.676SS**  trans-66.658.9-17800000114
297R43.9Very low57.1Low222 Ų222128.3 Ų128.384%0.83871%0.705SS**  trans-79.6130170.9-153.5173.8-168.5-1791106.8R295 V299R295-R297 PolarHBondContact O-N 3.03Å; R297-V299 WeakPolarHBondContact O-CG2 3.4Å; R297-V299 PolarHBondContact O-N 3.2Å
298K48.1Very low55.1Low189 Ų189132.2 Ų132.282%0.82272%0.722SS**  trans-57.4100.3-176.3-62.2176179.8-178.40109.7L300K298-L300 VanDerWaalsContact C-N 3.27Å; K298-L300 PolarHBondContact O-N 3.24Å
299V52.6Low53.2Low86 Ų86128.4 Ų128.452%0.52172%0.716SS.*SBendtrans-64.9-35.7-176.7179.10000110.7Y249 R297 Q301Y249-V299 HydrophobicContact CD1-CG1 3.57Å; Y249-V299 HydrophobicContact CE1-CG1 3.21Å; R297-V299 WeakPolarHBondContact O-CG2 3.4Å; R297-V299 PolarHBondContact O-N 3.2Å; V299-Q301 PolarHBondContact O-N 3.35Å
300L48.9Very low51.8Low125 Ų125133.7 Ų133.765%0.65472%0.723SS**SBendtrans-82.5101.8163.4-68.3167.6000108.9K298 V302K298-L300 VanDerWaalsContact C-N 3.27Å; K298-L300 PolarHBondContact O-N 3.24Å; L300-V302 VanDerWaalsContact C-N 3.27Å; L300-V302 PolarHBondContact O-N 3.44Å
301Q45.7Very low50.1Low171 Ų171138.8 Ų138.880%0.79974%0.742SS**  trans-71.787.3166.6-170.3170.2-6.300108.1V299 E303V299-Q301 PolarHBondContact O-N 3.35Å; Q301-E303 VanDerWaalsContact C-N 3.34Å; Q301-E303 PolarHBondContact O-N 2.95Å
302V49.8Very low48.9Very low113 Ų113140.1 Ų140.169%0.68575%0.753SS**  trans-67.995.6174.8-177.50000108.1L300 V304L300-V302 VanDerWaalsContact C-N 3.27Å; L300-V302 PolarHBondContact O-N 3.44Å; V302-V304 HydrophobicContact CG1-CG2 3.92Å; V302-V304 PolarHBondContact O-N 3.24Å
303E46.3Very low48.4Very low169 Ų169138.3 Ų138.379%0.7975%0.748SS**  trans-65.191.7160.9-68.8-160.8148.800108Q301 T305Q301-E303 VanDerWaalsContact C-N 3.34Å; Q301-E303 PolarHBondContact O-N 2.95Å; E303-T305 PolarHBondContact O-N 3.33Å
304V48.9Very low47.9Very low108 Ų108138.1 Ų138.166%0.65574%0.741SS**  trans-66.3100.8167.7-178.30000106.3V302 P306V302-V304 HydrophobicContact CG1-CG2 3.92Å; V302-V304 PolarHBondContact O-N 3.24Å; V304-P306 VanDerWaalsContact O-CD 3.31Å; V304-P306 WeakPolarHBondContact O-CD 3.31Å
305T46.6Very low47.9Very low121 Ų121135.8 Ų135.874%0.74273%0.732SS**  trans-47.9113.9166.6-57.60000107.2E303 T307E303-T305 PolarHBondContact O-N 3.33Å; T305-T307 PolarHBondContact O-N 2.75Å
306P41.3Very low48.5Very low107 Ų107130.1 Ų130.170%0.69572%0.718SS**  trans-64.4112.5-16922.3-32.2000108.9V304 I308V304-P306 VanDerWaalsContact O-CD 3.31Å; V304-P306 WeakPolarHBondContact O-CD 3.31Å; P306-I308 VanDerWaalsContact C-N 3.26Å; P306-I308 PolarHBondContact O-N 2.85Å
307T48.7Very low49.2Very low125 Ų125130 Ų13077%0.76770%0.699SS**  trans-64.792.8168.531.20000107.5T305 S309T305-T307 PolarHBondContact O-N 2.75Å; T307-S309 PolarHBondContact O-N 3.19Å
308I47.1Very low49.8Very low137 Ų137123.8 Ų123.870%0.70369%0.686SS**  trans-52.9115.1171.3-61.7171.9000106.2P306 R310P306-I308 VanDerWaalsContact C-N 3.26Å; P306-I308 PolarHBondContact O-N 2.85Å; I308-R310 HydrophobicContact CG2-CG 4.28Å; I308-R310 PolarHBondContact O-N 3.15Å
309S44Very low50.2Low111 Ų111117.6 Ų117.678%0.77667%0.67SS**  trans-68.576.517948.20000109.9T307 I311T307-S309 PolarHBondContact O-N 3.19Å; S309-I311 VanDerWaalsContact C-N 3.33Å; S309-I311 PolarHBondContact O-N 3.48Å
310R52Low50.4Low197 Ų197115.5 Ų115.574%0.74366%0.66SS**  trans-6798.3167.3-71.2-172.2174.1-166.1-2.4107I308 S312I308-R310 HydrophobicContact CG2-CG 4.28Å; I308-R310 PolarHBondContact O-N 3.15Å; R310-S312 PolarHBondContact O-N 2.95Å; R310-S312 VanDerWaalsContact O-N 3.08Å
311I48.4Very low50.9Low151 Ų151114.5 Ų114.577%0.77465%0.654SS**  trans-43.5118.4167.3-60.7169.2000106.9S309 I313S309-I311 VanDerWaalsContact C-N 3.33Å; S309-I311 PolarHBondContact O-N 3.48Å; I311-I313 PolarHBondContact O-N 3.39Å
312S47.6Very low51.5Low80 Ų80114.8 Ų114.856%0.55965%0.647SS**  trans-69.1104.3-178.749.90000109.1R310 S314R310-S312 PolarHBondContact O-N 2.95Å; R310-S312 VanDerWaalsContact O-N 3.08Å; S312-S314 PolarHBondContact O-N 3.04Å
313I56.3Low51.8Low148 Ų148119.4 Ų119.476%0.75965%0.653SS**  trans-76.662.2171.3-47.5179.3000108.1I311 I316I311-I313 PolarHBondContact O-N 3.39Å; I313-I316 HydrophobicContact CG2-CD1 3.91Å; I313-I316 HydrophobicContact CG2-CG1 4.43Å
314S51.1Low52.3Low90 Ų90118.7 Ų118.763%0.62965%0.649SS**  trans-133.419.4-179.858.60000112.6S312S312-S314 PolarHBondContact O-N 3.04Å
315A53.2Low52.5Low79 Ų79123.7 Ų123.765%0.65366%0.656SS**  trans-123.716.6176.200000113.8T317A315-T317 VanDerWaalsContact C-N 3.29Å; A315-T317 PolarHBondContact O-N 3.05Å; A315-T317 VanDerWaalsContact O-N 3.07Å
316I53.6Low52.5Low113 Ų113127.2 Ų127.258%0.57966%0.656SS**  trans-82.580168.7-53.6-178.8000108.3I313 I321I313-I316 HydrophobicContact CG2-CD1 3.91Å; I313-I316 HydrophobicContact CG2-CG1 4.43Å; I316-I321 HydrophobicContact CG2-CD1 3.87Å; I316-I321 HydrophobicContact CG2-CG1 3.76Å
317T59.3Low52.7Low87 Ų87131 Ų13153%0.53466%0.661SS.*  trans-73.6154.6166.458.10000109.8A315 A319 S320A315-T317 VanDerWaalsContact C-N 3.29Å; A315-T317 PolarHBondContact O-N 3.05Å; A315-T317 VanDerWaalsContact O-N 3.07Å; T317-A319 PolarHBondContact O-N 3.37Å; T317-S320 PolarHBondContact O-N 3.08Å; T317-S320 PolarHBondContact O-OG 2.93Å; T317-S320 VanDerWaalsContact O-OG 3.12Å
318T57Low52.8Low92 Ų92135.7 Ų135.756%0.56467%0.665SS**Hα-helixtrans-55.6-22.2176.5-30.30000112.7R322T318-R322 WeakPolarHBondContact O-CG 3.31Å; T318-R322 PolarHBondContact O-N 3.02Å
319A55.2Low52.7Low60 Ų60136 Ų13650%0.49666%0.663SS.*Hα-helixtrans-69.4-33.2173.200000114T317 R323T317-A319 PolarHBondContact O-N 3.37Å; A319-R323 PolarHBondContact O-N 3Å; A319-R323 VanDerWaalsContact O-N 3.1Å
320S57.1Low52.7Low42 Ų42138.8 Ų138.829%0.29467%0.67SS.*Hα-helixtrans-72.5-38.6177.878.70000111.5T317 R323 H324T317-S320 PolarHBondContact O-N 3.08Å; T317-S320 PolarHBondContact O-OG 2.93Å; T317-S320 VanDerWaalsContact O-OG 3.12Å; S320-R323 PolarHBondContact O-N 2.99Å; S320-H324 PolarHBondContact O-N 3.37Å; S320-H324 VanDerWaalsContact O-N 3.15Å
321I58.9Low52.4Low103 Ų103133.2 Ų133.253%0.52867%0.665SS.*Hα-helixtrans-61.8-46.1173.3-58.4177000110.4I316 R323 H324 R325I316-I321 HydrophobicContact CG2-CD1 3.87Å; I316-I321 HydrophobicContact CG2-CG1 3.76Å; I321-R323 PolarHBondContact O-N 3.22Å; I321-H324 PolarHBondContact O-N 3.45Å; I321-R325 PolarHBondContact O-N 2.89Å; I321-R325 VanDerWaalsContact O-N 3.14Å
322R58.9Low52Low177 Ų177134 Ų13467%0.66867%0.671SS**Hα-helixtrans-60.3-40.4176.4-76178.9179.3133.8-0112.8T318 H324 R325 W326T318-R322 WeakPolarHBondContact O-CG 3.31Å; T318-R322 PolarHBondContact O-N 3.02Å; R322-H324 VanDerWaalsContact C-N 3.34Å; R322-H324 PolarHBondContact O-N 3.27Å; R322-R325 PolarHBondContact O-N 2.82Å; R322-W326 PolarHBondContact O-N 2.91Å
323R56.8Low51.4Low211 Ų211133.7 Ų133.780%0.79668%0.681SS**Hα-helixtrans-63.4-35.4174.5-83.8-169.1-175.6-178.84.1113.6A319 S320 I321A319-R323 PolarHBondContact O-N 3Å; A319-R323 VanDerWaalsContact O-N 3.1Å; S320-R323 PolarHBondContact O-N 2.99Å; I321-R323 PolarHBondContact O-N 3.22Å
324H56Low50.3Low153 Ų153135.5 Ų135.571%0.70869%0.688SS**Hα-helixtrans-74-25.3177-90.1-87.5000113.4S320 I321 R322S320-H324 PolarHBondContact O-N 3.37Å; S320-H324 VanDerWaalsContact O-N 3.15Å; I321-H324 PolarHBondContact O-N 3.45Å; R322-H324 VanDerWaalsContact C-N 3.34Å; R322-H324 PolarHBondContact O-N 3.27Å
325R52.6Low49.3Very low213 Ų213136.9 Ų136.980%0.80470%0.698SS**Hα-helixtrans-71.6-36.3176.8-145.8177.6-158.8-101.26.7112.6I321 R322 K327I321-R325 PolarHBondContact O-N 2.89Å; I321-R325 VanDerWaalsContact O-N 3.14Å; R322-R325 PolarHBondContact O-N 2.82Å; R325-K327 VanDerWaalsContact C-N 3.29Å; R325-K327 PolarHBondContact O-N 3.41Å
326W47.4Very low48.2Very low196 Ų196137 Ų13774%0.74271%0.707SS**G310 helixtrans-76.1-10.5-178.5-139.4-78.8000114.6R322 R328R322-W326 PolarHBondContact O-N 2.91Å; W326-R328 PolarHBondContact O-N 2.85Å
327K45.8Very low47Very low187 Ų187135.1 Ų135.181%0.81372%0.715SS**G310 helixtrans-89.824.7-177.5-149.6-171.1179.1-1740113.3R325R325-K327 VanDerWaalsContact C-N 3.29Å; R325-K327 PolarHBondContact O-N 3.41Å
328R49.4Very low45.8Very low223 Ų223139.5 Ų139.584%0.84273%0.73SS**G310 helixtrans-13313.2-174.7-145-162.3-87.9-139.31.5114.6W326W326-R328 PolarHBondContact O-N 2.85Å
329E45.6Very low44.6Very low143 Ų143141.9 Ų141.967%0.66874%0.739SS**SBendtrans-107.9-6.4-178.7-71.4179.7150.100114.6
330D45.3Very low43.5Very low170 Ų170143.6 Ų143.691%0.90975%0.747SS**SBendtrans-10024.8178.3-67.2-42.2000113.8
331A45.8Very low42.2Very low79 Ų79151 Ų15165%0.65377%0.774SS**SBendtrans-147129174.700000112.1
332D39.1Very low41Very low168 Ų168153 Ų15390%0.89879%0.787SS**  trans59.7109.5178.4-67-23.3000118.1
333G35.2Very low39.9Very low73 Ų73152.1 Ų152.175%0.75379%0.793SS**  trans-85.2-172.9151.300000111.9
334M32.4Very low38.7Very low187 Ų187149.5 Ų149.592%0.92180%0.795SS**  trans87.5109176-119.663.8169.200118
335S30.9Very low37.6Very low119 Ų119149.4 Ų149.483%0.83280%0.8SS**  trans78.193.1145.7-161.10000120.3
336G29.2Very low37.2Very low82 Ų82144.5 Ų144.585%0.84580%0.795SS**  67.8110.1109.600000118.9
337G30Very low36.5Very low73 Ų73142.4 Ų142.475%0.75380%0.799SS**  trans172.9112.7166.300000110.3
338E33.1Very low36.2Very low178 Ų178142.9 Ų142.983%0.83280%0.804SS**  trans-64.4140.8172.756.6-116.894.700112.3
339D32.7Very low35.4Very low143 Ų143134.4 Ų134.477%0.76579%0.786SS**  -172125.9117.7-104-27.4000111.9
340S31.7Very low34.7Very low96 Ų96138 Ų13867%0.67180%0.8SS**  trans-95.6121.4-175.352.80000111.9
341F30Very low34.1Very low196 Ų196135.3 Ų135.386%0.8679%0.794SS**  trans-107.8101.1163.4-74.9-77000110.6
342N33.5Very low33.7Very low147 Ų147137.8 Ų137.879%0.78681%0.807SS**  trans-68.9124.9169.9-72.5-45.8000110
343I35.4Very low33.3Very low158 Ų158133.4 Ų133.481%0.8180%0.801SS**  trans-119.2105.5150.2-68.6-179.5000106.1
344N32.1Very low33.1Very low155 Ų155134.6 Ų134.683%0.82980%0.804SS**  trans-64130.3160.5-91.8-11.7000107.8
345D33.2Very low33Very low151 Ų151131.7 Ų131.781%0.80780%0.802SS**  trans-130.7108.8155.5-156.62.1000106.4D347D345-D347 PolarHBondContact O-N 2.74Å
346P43.5Very low32.8Very low110 Ų110133.5 Ų133.571%0.71480%0.803SS**  trans-75126.9-173.728.7-32.6000111.6E348P346-E348 PolarHBondContact O-N 3.21Å; P346-E348 VanDerWaalsContact O-N 3.12Å
347D31.8Very low32.9Very low152 Ų152134.9 Ų134.981%0.81380%0.799SS**  trans-65.898.8174-179.124.2000111.6D345 G349D345-D347 PolarHBondContact O-N 2.74Å; D347-G349 PolarHBondContact O-N 3.5Å; D347-G349 PolarHBondContact OD1-N 3.46Å
348E40.8Very low33Very low197 Ų197137.2 Ų137.292%0.92180%0.804SS**  trans-89.176.2156.2-78.1-162.516300109.8P346P346-E348 PolarHBondContact O-N 3.21Å; P346-E348 VanDerWaalsContact O-N 3.12Å
349G32.8Very low33.1Very low45 Ų45137.5 Ų137.546%0.46481%0.805SS.*  trans-71.2150.7169.400000111.8D347D347-G349 PolarHBondContact O-N 3.5Å; D347-G349 PolarHBondContact OD1-N 3.46Å
350F29.7Very low33.8Very low220 Ų220136.2 Ų136.297%0.96580%0.804SS**  trans-145.3130136.8-112.3-74.1000111.5
351S32.5Very low33.7Very low112 Ų112137.2 Ų137.278%0.78381%0.811SS**  trans-88.1146.5-178.6-68.70000112.3
352S39.1Very low33.6Very low131 Ų131131.4 Ų131.492%0.91681%0.807SS**  trans-164.5138.1151.7-790000107.8
353G29.6Very low33.4Very low76 Ų76130.9 Ų130.978%0.78481%0.809SS**  cis-168.5153.4-5.200000108.3
354A30.9Very low33.1Very low98 Ų98133.3 Ų133.381%0.8181%0.814SS**  trans-75.5157.1-170.300000114.2
355S29.8Very low32.9Very low127 Ų127131.8 Ų131.889%0.88882%0.816SS**  trans-156.5137.5142.6-83.40000110.7
356N27.5Very low32.6Very low157 Ų157128.2 Ų128.284%0.8481%0.814SS**  trans-129.6150.9-168.8-118.8-7.3000110.8
357S31.3Very low31.8Very low110 Ų110126.7 Ų126.777%0.76982%0.819SS**  trans69.2134.7164.777.90000117.2
358S32.5Very low31.7Very low122 Ų122126.6 Ų126.685%0.85382%0.823SS**  -148.1157.972.721.40000115.3
359Q35.6Very low31Very low185 Ų185120.5 Ų120.586%0.86481%0.813SS**  trans-79.4-171-174.2-73.6179.2-72.300114
360P46.1Very low30.8Very low115 Ų115125.9 Ų125.975%0.74783%0.83SS**  cis-132.2179.1-6.81413.1000117.7
361S30.2Very low30.8Very low117 Ų117127 Ų12782%0.81883%0.828SS**  trans-57.7160.4173.553.10000119.7
362G27.5Very low30.6Very low74 Ų74125.5 Ų125.576%0.76383%0.83SS**  trans-134.685.2160.400000113.9
363T29.9Very low30Very low137 Ų137123.1 Ų123.184%0.8483%0.826SS**  trans40.4121.7148.6-11.20000122.2
364K29.3Very low30Very low209 Ų209124.5 Ų124.591%0.90982%0.824SS**PPolyproline II helixtrans-99.1137.8147.2-85.3-173.4175.4-179.80109.9
365S27.4Very low30Very low123 Ų123126.9 Ų126.986%0.8682%0.823SS**PPolyproline II helixtrans-74.2147.4169.444.20000111.6
366G27.7Very low30Very low75 Ų75127.2 Ų127.277%0.77381%0.814SS**PPolyproline II helixtrans-82.6166.7-177.100000114.1
367G26.1Very low30.2Very low79 Ų79124 Ų12481%0.81481%0.805SS**PPolyproline II helixtrans-84.4145.2172.100000112.5
368V29.9Very low30.2Very low149 Ų149124.3 Ų124.390%0.90381%0.806SS**  trans-137.9134.3156.9178.20000107.1
369G25.6Very low30.2Very low69 Ų69123.9 Ų123.971%0.71180%0.803SS**  trans-137.6121.4164.900000109.5
370L29.2Very low30.4Very low158 Ų158120.3 Ų120.383%0.82780%0.799SS**  trans-161134.8159.2-112.4171000111.4
371R30Very low30.4Very low244 Ų244120.6 Ų120.692%0.92180%0.803SS**  trans72.6129.7170.9-60.2-174.2166.9-158-4.7118.1
372G27Very low31.1Very low80 Ų80121 Ų12183%0.82580%0.795SS**  trans177.9-21.1161.300000122.6
373G27Very low32Very low81 Ų81127.3 Ų127.384%0.83580%0.802SS**  trans63.7176.7-174.900000114.4
374S29.5Very low32.8Very low105 Ų105130.6 Ų130.673%0.73480%0.804SS**  cis-163152.8-17.1-167.70000107.9
375L31.7Very low33.4Very low149 Ų149123.8 Ų123.878%0.7879%0.787SS**  trans67.7144.9172.9-45.5176.2000115.3
376N29.6Very low34.5Very low133 Ų133122.6 Ų122.671%0.71177%0.77SS**  cis-156.1150.1-1.6-118.6-5.3000112.8
377S32.2Very low35.6Very low91 Ų91124.4 Ų124.464%0.63677%0.766SS**  trans31.7129150.2630000123.6
378S31.1Very low36.6Very low115 Ų115123.9 Ų123.980%0.80475%0.754SS**  35.7145.9111.7-30.80000120
379S32.3Very low37.4Very low113 Ų113125.9 Ų125.979%0.7975%0.746SS**  cis-167.7155.825.850.80000112.7
380S39.8Very low38.6Very low111 Ų111128.6 Ų128.678%0.77674%0.743SS**  trans-73.9125.1169.852.70000113.9
381S44.9Very low39.7Very low120 Ų120124.5 Ų124.584%0.83973%0.728SS**  trans-175.158156.5-850000114.8
382I45.6Very low40.8Very low126 Ų126121 Ų12165%0.64671%0.714SS**  trans-127.2-18.3-176-63.9-178.5000115.3K384 I386I382-K384 PolarHBondContact O-N 2.77Å; I382-K384 VanDerWaalsContact O-N 3.13Å; I382-I386 HydrophobicContact CG2-CD1 3.64Å
383K46Very low42Very low207 Ų207122 Ų12290%0.970%0.701SS**THydrogen-bonded Turntrans-81.113.1-167.5-70.9-169.1175.3-177.20117.9
384K47.8Very low43.6Very low206 Ų206125.1 Ų125.190%0.89669%0.692SS**THydrogen-bonded Turntrans-124.8-3.1175.4-79.8-170.8175-1780116.2I382I382-K384 PolarHBondContact O-N 2.77Å; I382-K384 VanDerWaalsContact O-N 3.13Å
385A42Very low45.2Very low66 Ų66127.2 Ų127.255%0.54569%0.69SS.*THydrogen-bonded Turntrans-100.9-18-178.500000114.9
386I50.4Low46.6Very low97 Ų97125.8 Ų125.850%0.49768%0.677SS.*SBendtrans-88.6-41.1-169.2-61.9177000112.1I382 A388 R389 L390I382-I386 HydrophobicContact CG2-CD1 3.64Å; I386-A388 VanDerWaalsContact C-N 3.26Å; I386-A388 PolarHBondContact O-N 3.26Å; I386-R389 PolarHBondContact O-N 3.12Å; I386-L390 HydrophobicContact CG2-CD1 4.18Å
387T49.3Very low48.3Very low113 Ų113126.5 Ų126.569%0.69368%0.676SS**Hα-helixtrans-64.7-27.6-176.2-34.30000113.4
388A47.1Very low50.1Low69 Ų69128.4 Ų128.457%0.5767%0.673SS**Hα-helixtrans-83-7.8-18000000114.4I386I386-A388 VanDerWaalsContact C-N 3.26Å; I386-A388 PolarHBondContact O-N 3.26Å
389R47.8Very low51.8Low191 Ų191129 Ų12972%0.72166%0.663SS**Hα-helixtrans-95.5-39.2176.7-68.4-172.2175.5-160.3-1.6112.1I386 S391 R392 D393I386-R389 PolarHBondContact O-N 3.12Å; R389-S391 PolarHBondContact O-N 3.46Å; R389-R392 PolarHBondContact O-N 3.38Å; R389-D393 PolarHBondContact O-N 3.3Å
390L49.6Very low53.6Low125 Ų125130.3 Ų130.365%0.65466%0.655SS**Hα-helixtrans-71.2-22.5-176.5-66.3171.2000114.9I386I386-L390 HydrophobicContact CG2-CD1 4.18Å
391S54.1Low55Low72 Ų72131.2 Ų131.250%0.50365%0.646SS.*Hα-helixtrans-73.5-38.5172.150.40000112.4R389 K394R389-S391 PolarHBondContact O-N 3.46Å; S391-K394 PolarHBondContact O-N 3.32Å
392R52.2Low56.5Low171 Ų171133.7 Ų133.765%0.64564%0.637SS**Hα-helixtrans-75.8-23.4-172.5-170.8169.7174.2176.1-3.9113.9R389R389-R392 PolarHBondContact O-N 3.38Å
393D52.7Low57.6Low100 Ų100133.3 Ų133.354%0.53563%0.633SS.*Hα-helixtrans-81.7-31.4174.4-67.2-28000112R389 E395 K396 E397R389-D393 PolarHBondContact O-N 3.3Å; D393-E395 PolarHBondContact O-N 3.15Å; D393-K396 PolarHBondContact O-N 3.12Å; D393-E397 PolarHBondContact O-N 3.45Å
394K60.5Low58.8Low148 Ų148132.4 Ų132.464%0.64362%0.624SS**Hα-helixtrans-74.1-23.8-179-161.2170.3-172.1173.20114.2S391S391-K394 PolarHBondContact O-N 3.32Å
395E62.3Low60Low149 Ų149128.5 Ų128.570%0.69661%0.609SS**Hα-helixtrans-76.5-38.3170.4-70.4-175.4142.800111.7D393 E397 K398 E399D393-E395 PolarHBondContact O-N 3.15Å; E395-E397 PolarHBondContact O-N 3.07Å; E395-K398 PolarHBondContact O-N 3.18Å; E395-E399 PolarHBondContact O-N 3.33Å; E395-E399 VanDerWaalsContact O-N 3.12Å
396K62.3Low61.4Low119 Ų119133.8 Ų133.852%0.51762%0.615SS.*Hα-helixtrans-66.5-31.1179.9-78.7-177167.1-1690114.8D393 K400D393-K396 PolarHBondContact O-N 3.12Å; K396-K400 PolarHBondContact O-N 3.25Å
397E63.5Low62.3Low147 Ų147135 Ų13569%0.68762%0.618SS**Hα-helixtrans-69-44.5172.5-87.9-170.3143.600111.9D393 E395 E399 K400 E401D393-E397 PolarHBondContact O-N 3.45Å; E395-E397 PolarHBondContact O-N 3.07Å; E397-E399 VanDerWaalsContact C-N 3.26Å; E397-E399 PolarHBondContact O-N 2.83Å; E397-K400 PolarHBondContact O-N 2.78Å; E397-E401 PolarHBondContact O-N 2.91Å
398K70.3Confident63.3Low131 Ų131132.5 Ų132.557%0.5761%0.609SS**Hα-helixtrans-65-28.9179.4-77.3-171.1169-169.70113.7E395 R402E395-K398 PolarHBondContact O-N 3.18Å; K398-R402 WeakPolarHBondContact O-CD 3.45Å; K398-R402 WeakPolarHBondContact O-CG 3.32Å; K398-R402 PolarHBondContact O-N 3.48Å
399E67.3Low64.3Low128 Ų128135.7 Ų135.760%0.59861%0.612SS**Hα-helixtrans-71.5-45.4174.8-164163.1-14500110.9E395 E397 E401 R402 E403E395-E399 PolarHBondContact O-N 3.33Å; E395-E399 VanDerWaalsContact O-N 3.12Å; E397-E399 VanDerWaalsContact C-N 3.26Å; E397-E399 PolarHBondContact O-N 2.83Å; E399-E401 PolarHBondContact O-N 3.33Å; E399-R402 PolarHBondContact O-N 3.22Å; E399-E403 PolarHBondContact O-N 2.74Å; E399-E403 VanDerWaalsContact O-N 3.09Å
400K70.6Confident65.3Low141 Ų141133.2 Ų133.261%0.61361%0.606SS**Hα-helixtrans-64.3-33.3175.8-79.6-174.4171-174.20114.6K396 E397 R404K396-K400 PolarHBondContact O-N 3.25Å; E397-K400 PolarHBondContact O-N 2.78Å; K400-R404 WeakPolarHBondContact O-CG 3.19Å; K400-R404 PolarHBondContact O-N 2.83Å
401E69.9Low65.5Low129 Ų129134.2 Ų134.260%0.60361%0.608SS**Hα-helixtrans-66.2-42.7176.3-166.4168.9-145.700110.7E397 E399 R404 E405E397-E401 PolarHBondContact O-N 2.91Å; E399-E401 PolarHBondContact O-N 3.33Å; E401-R404 PolarHBondContact O-N 3.43Å; E401-E405 PolarHBondContact O-N 3.1Å
402R75Confident65.9Low173 Ų173134 Ų13465%0.65361%0.61SS**Hα-helixtrans-70.9-28.1178.1-71.9173.5170.2-167.2-5.6114.5K398 E399 R406K398-R402 WeakPolarHBondContact O-CD 3.45Å; K398-R402 WeakPolarHBondContact O-CG 3.32Å; K398-R402 PolarHBondContact O-N 3.48Å; E399-R402 PolarHBondContact O-N 3.22Å; R402-R406 WeakPolarHBondContact O-CD 3.25Å; R402-R406 WeakPolarHBondContact O-CG 3.25Å; R402-R406 PolarHBondContact O-N 2.99Å
403E68.6Low66Low117 Ų117132.8 Ų132.855%0.54761%0.612SS.*Hα-helixtrans-69.5-40.7171.3-74.4-173.4136.300111.4E399 E405 R406 E407E399-E403 PolarHBondContact O-N 2.74Å; E399-E403 VanDerWaalsContact O-N 3.09Å; E403-E405 PolarHBondContact O-N 3.17Å; E403-R406 PolarHBondContact O-N 3.04Å; E403-E407 WeakPolarHBondContact O-CG 3.41Å; E403-E407 PolarHBondContact O-N 3.33Å
404R72.8Confident65.7Low188 Ų188135.3 Ų135.371%0.70962%0.621SS**Hα-helixtrans-63.7-40178.4-73.7174.4173.1-172.9-3.5113.4K400 E401 R406 E407 A408K400-R404 WeakPolarHBondContact O-CG 3.19Å; K400-R404 PolarHBondContact O-N 2.83Å; E401-R404 PolarHBondContact O-N 3.43Å; R404-R406 VanDerWaalsContact C-N 3.33Å; R404-R406 PolarHBondContact O-N 3.28Å; R404-E407 PolarHBondContact O-N 3.14Å; R404-A408 PolarHBondContact O-N 3.42Å; R404-A408 VanDerWaalsContact O-N 3.07Å
405E71.5Confident65.1Low125 Ų125133.8 Ų133.858%0.58463%0.627SS**Hα-helixtrans-61.1-42.9174.5-68.9-179.9144.100111.3E401 E403 E407 A408 E409E401-E405 PolarHBondContact O-N 3.1Å; E403-E405 PolarHBondContact O-N 3.17Å; E405-E407 PolarHBondContact O-N 2.87Å; E405-A408 PolarHBondContact O-N 2.97Å; E405-E409 PolarHBondContact O-N 3.19Å; E405-E409 VanDerWaalsContact O-N 3.16Å
406R72.6Confident64.6Low176 Ų176132.3 Ų132.366%0.66463%0.628SS**Hα-helixtrans-71-25.5179.2-71.2173.4172.4-167.6-3.9114.4R402 E403 R404 K410R402-R406 WeakPolarHBondContact O-CD 3.25Å; R402-R406 WeakPolarHBondContact O-CG 3.25Å; R402-R406 PolarHBondContact O-N 2.99Å; E403-R406 PolarHBondContact O-N 3.04Å; R404-R406 VanDerWaalsContact C-N 3.33Å; R404-R406 PolarHBondContact O-N 3.28Å; R406-K410 WeakPolarHBondContact O-CG 3.47Å
407E68.1Low63.6Low124 Ų124133.3 Ų133.358%0.57964%0.639SS**Hα-helixtrans-79.2-35.1173.2-72.5-176.8159.600111.8E403 R404 E405 K410 Q411E403-E407 WeakPolarHBondContact O-CG 3.41Å; E403-E407 PolarHBondContact O-N 3.33Å; R404-E407 PolarHBondContact O-N 3.14Å; E405-E407 PolarHBondContact O-N 2.87Å; E407-K410 PolarHBondContact O-N 2.95Å; E407-Q411 WeakPolarHBondContact O-CG 3.31Å; E407-Q411 PolarHBondContact O-N 3.48Å; E407-Q411 VanDerWaalsContact O-N 3.16Å
408A70.5Confident62.6Low60 Ų60134.7 Ų134.750%0.49665%0.646SS.*Hα-helixtrans-65.3-43.3175.500000112.5R404 E405 K410 Q411 A412R404-A408 PolarHBondContact O-N 3.42Å; R404-A408 VanDerWaalsContact O-N 3.07Å; E405-A408 PolarHBondContact O-N 2.97Å; A408-K410 PolarHBondContact O-N 3.4Å; A408-Q411 PolarHBondContact O-N 2.83Å; A408-A412 PolarHBondContact O-N 2.88Å; A408-A412 VanDerWaalsContact O-N 3.12Å
409E68.6Low60.9Low136 Ų136138.2 Ų138.264%0.63666%0.664SS**Hα-helixtrans-61.2-43.5175.6-72.9-178.8145.900111.8E405 Q411 A412 E413E405-E409 PolarHBondContact O-N 3.19Å; E405-E409 VanDerWaalsContact O-N 3.16Å; E409-Q411 VanDerWaalsContact C-N 3.32Å; E409-Q411 PolarHBondContact O-N 3.38Å; E409-A412 WeakPolarHBondContact O-CB 3.13Å; E409-A412 PolarHBondContact O-N 2.85Å; E409-A412 VanDerWaalsContact O-N 3.17Å; E409-E413 PolarHBondContact O-N 3.46Å; E409-E413 VanDerWaalsContact O-N 3.08Å
410K67.6Low59.3Low138 Ų138136.2 Ų136.260%0.667%0.67SS**Hα-helixtrans-63.9-33.1177.8-74.4176.9179.6179.90113.8R406 E407 A408 Q414R406-K410 WeakPolarHBondContact O-CG 3.47Å; E407-K410 PolarHBondContact O-N 2.95Å; A408-K410 PolarHBondContact O-N 3.4Å; K410-Q414 WeakPolarHBondContact O-CG 3.47Å; K410-Q414 PolarHBondContact O-N 3.47Å
411Q54.2Low57.5Low146 Ų146136.4 Ų136.468%0.68268%0.683SS**Hα-helixtrans-74.2-31.5175.5-72.2-177.510.900112.3E407 A408 E409E407-Q411 WeakPolarHBondContact O-CG 3.31Å; E407-Q411 PolarHBondContact O-N 3.48Å; E407-Q411 VanDerWaalsContact O-N 3.16Å; A408-Q411 PolarHBondContact O-N 2.83Å; E409-Q411 VanDerWaalsContact C-N 3.32Å; E409-Q411 PolarHBondContact O-N 3.38Å
412A63.6Low55.9Low68 Ų68134.5 Ų134.556%0.56269%0.689SS**Hα-helixtrans-68.1-41.817400000112A408 E409A408-A412 PolarHBondContact O-N 2.88Å; A408-A412 VanDerWaalsContact O-N 3.12Å; E409-A412 WeakPolarHBondContact O-CB 3.13Å; E409-A412 PolarHBondContact O-N 2.85Å; E409-A412 VanDerWaalsContact O-N 3.17Å
413E54.4Low54.1Low146 Ų146132.7 Ų132.768%0.68270%0.7SS**Hα-helixtrans-70.1-36.7178.7-68.4-174.7151.500113E409 C415 V416E409-E413 PolarHBondContact O-N 3.46Å; E409-E413 VanDerWaalsContact O-N 3.08Å; E413-C415 VanDerWaalsContact C-N 3.32Å; E413-C415 PolarHBondContact O-N 3.49Å; E413-V416 PolarHBondContact O-N 3.2Å
414Q46.5Very low52.3Low153 Ų153138.4 Ų138.472%0.71572%0.716SS**Hα-helixtrans-71.6-19.1-178.5-78.5-173.7-15.600115.2K410 V416K410-Q414 WeakPolarHBondContact O-CG 3.47Å; K410-Q414 PolarHBondContact O-N 3.47Å; Q414-V416 PolarHBondContact O-N 3.41Å
415C46.6Very low51.1Low116 Ų116134.7 Ų134.778%0.78472%0.716SS**THydrogen-bonded Turntrans-79.1-5.1179.6-154.70000113.4E413E413-C415 VanDerWaalsContact C-N 3.32Å; E413-C415 PolarHBondContact O-N 3.49Å
416V51.9Low49Very low117 Ų117139.6 Ų139.671%0.70973%0.73SS**THydrogen-bonded Turntrans-85.1-23.1-176.6-179.60000113.1E413 Q414E413-V416 PolarHBondContact O-N 3.2Å; Q414-V416 PolarHBondContact O-N 3.41Å
417D42.5Very low47.1Very low141 Ų141139.7 Ų139.775%0.75474%0.738SS**SBendtrans-108.91.8-160.2-92.6-24.5000117.4
418Q41Very low45.2Very low176 Ų176143 Ų14382%0.82275%0.745SS**  trans-131.869.4-174.6-67.6-169.640.700116
419Q35.8Very low43.3Very low204 Ų204146.3 Ų146.395%0.95375%0.75SS**  -165.394.8127.9-109.3168.620.500113.1
420A32.8Very low41.5Very low87 Ų87147.1 Ų147.172%0.71975%0.754SS**  trans-138.2160.1164.900000110.2
421T32.5Very low39.6Very low145 Ų145145.6 Ų145.689%0.8976%0.76SS**  trans79.2145.2177.976.40000116.8
422A37.7Very low40Very low89 Ų89144.3 Ų144.374%0.73677%0.765SS**  cis-168.8170-25.500000107.5
423P36.3Very low39.3Very low134 Ų134147.5 Ų147.587%0.8778%0.78SS**  -145-177.762.931-5.6000117.6
424R31.2Very low38.1Very low238 Ų238144 Ų14490%0.89878%0.783SS**  trans-94.6-164-167.7-62.8175.1156.2175-4.9113.9
425P46.7Very low37.5Very low109 Ų109142.5 Ų142.571%0.70879%0.789SS**  cis-147.9167.40.241.5-20.6000121.6
426R28.5Very low36.8Very low228 Ų228145.2 Ų145.286%0.8679%0.794SS**  trans160.2117.8131.1-89.1175.5175.3-174.1-0.7113.2
427Q33.2Very low35.7Very low179 Ų179149.1 Ų149.184%0.83680%0.802SS**  67138.3104.2-111.2179.7-7.500116.5
428R27.4Very low35.2Very low192 Ų192150.1 Ų150.173%0.72581%0.806SS**  cis-174145.329.7173.8178.7173.6172.33.3114.6
429Q31.4Very low34.6Very low130 Ų130149.7 Ų149.761%0.60781%0.809SS**  trans63.8156.5156.9-73.5175.1-35.300121.1
430Q30.5Very low34.2Very low153 Ų153144 Ų14472%0.71580%0.797SS**  cis-160.1141.8-0.9-126.9163.8-2.200115.5
431S27.6Very low34.1Very low106 Ų106147.6 Ų147.674%0.74180%0.803SS**  trans41.7134.1150.640.10000127.3
432P62.3Low33.8Very low119 Ų119149 Ų14977%0.77380%0.799SS**  trans-107.2-179.9171.344.5-36.8000114.8
433P48.3Very low33.4Very low135 Ų135151.8 Ų151.888%0.87780%0.801SS**  -137.4-170.2104.138.3-24.5000112.3
434G29.8Very low33Very low72 Ų72150.6 Ų150.674%0.74280%0.795SS**  cis-169.8-166.45.500000112.2
435S34.4Very low33.7Very low122 Ų122144.7 Ų144.785%0.85379%0.788SS**  trans-162.6160.8-171580000115.4
436I30.7Very low32.8Very low174 Ų174147.5 Ų147.589%0.89280%0.795SS**  trans-138.5154.4169.7-63.6-174.3000111.4
437K28.3Very low32.7Very low198 Ų198145.6 Ų145.686%0.86179%0.793SS**  trans-95.4169.5-161.5-69.2-179.5173-177.20117
438L33.3Very low32.5Very low162 Ų162146.7 Ų146.785%0.84880%0.795SS**  trans-108.9153.7166.8-154.883000110.2
439D27.3Very low32.5Very low167 Ų167145.4 Ų145.489%0.89380%0.797SS**  trans-139.1161.8167.1-99.9-39.9000110.8
440A29.1Very low32.3Very low84 Ų84145.9 Ų145.969%0.69480%0.803SS**  trans-132.2-164.3-15900000114.9
441I30.2Very low32.1Very low163 Ų163143.1 Ų143.184%0.83680%0.801SS**  trans89.2135.9169.5-56.2159.8000113.8
442H25.2Very low32.4Very low175 Ų175148.1 Ų148.181%0.8181%0.81SS**  cis-147.2171.28.5-158.6-111.3000112.7
443L30.2Very low30.8Very low148 Ų148148.3 Ų148.378%0.77581%0.811SS**  trans-96.6158.2173.3-68.1154.6000112.2
444S26.9Very low30Very low108 Ų108146.3 Ų146.376%0.75581%0.805SS**  152.1-169.390.8650000110.5
445P45.9Very low29.9Very low115 Ų115146.6 Ų146.675%0.74781%0.808SS**  -133.9171.3-110.339-18.3000117.9
446I27.6Very low29.7Very low167 Ų167149.2 Ų149.286%0.85681%0.807SS**  trans-170.4158158.9-98.4141.5000107.8
447K26.4Very low29.8Very low188 Ų188146.6 Ų146.682%0.81780%0.801SS**  cis170.7105.6-32.9-140.8-176.6-173.8-179.80105.9
448K30.4Very low29.9Very low202 Ų202145.5 Ų145.588%0.87880%0.804SS**  trans10.6135159.6-52177.6179-175.50121
449H25.8Very low29.7Very low165 Ų165144.1 Ų144.176%0.76480%0.802SS**  -173.2155.3112.3-147.7-143.1000113.8
450L27.8Very low29.9Very low140 Ų140147.7 Ų147.773%0.73380%0.803SS**  trans62149.6163.4-65.4148.8000119.1
451S27.5Very low29.9Very low96 Ų96149.8 Ų149.867%0.67181%0.807SS**  cis-171146.6-29.542.50000109.6
452F33Very low30Very low211 Ų211145.6 Ų145.693%0.92580%0.804SS**PPolyproline II helixtrans-69142.4174.5-73.5-95.8000112.8
453P29.4Very low30.1Very low123 Ų123143 Ų14380%0.79981%0.806SS**PPolyproline II helixtrans-86.4137.8151.7-0.920.4000110.4
454A30Very low30Very low92 Ų92142.6 Ų142.676%0.7681%0.809SS**PPolyproline II helixtrans-74.2156.5175.800000112.2
455G28.5Very low30.1Very low78 Ų78142.8 Ų142.880%0.80481%0.811SS**PPolyproline II helixtrans-69.8144.9178.900000113.5
456H29.8Very low29.1Very low177 Ų177142.5 Ų142.582%0.81981%0.811SS**PPolyproline II helixtrans-87.2143.5166.2-75.7-89.4000110.6
457P32.9Very low29.1Very low119 Ų119140 Ų14077%0.77381%0.808SS**PPolyproline II helixtrans-73.2131.1-179.429.6-34000111.4V459P457-V459 PolarHBondContact O-N 3.35Å
458L31.5Very low29.2Very low176 Ų176139.9 Ų139.992%0.92181%0.808SS**PPolyproline II helixtrans-69.2130.2175.3-73.7169.8000111.1
459V28.3Very low29Very low132 Ų132134.6 Ų134.680%0.880%0.797SS**PPolyproline II helixtrans-72.6129.8178.7174.50000110.1P457 T461P457-V459 PolarHBondContact O-N 3.35Å; V459-T461 PolarHBondContact O-N 3.36Å
460R31.3Very low29.1Very low243 Ų243136 Ų13692%0.91780%0.801SS**  trans-82.7100.3-177.4-176.7-177.9-175.9175.61.3111.1
461T29.7Very low29.1Very low127 Ų127136.2 Ų136.278%0.77980%0.803SS**  trans-83123.1166.544.30000110.2V459V459-T461 PolarHBondContact O-N 3.36Å
462G31Very low29.1Very low75 Ų75137.5 Ų137.577%0.77381%0.811SS**  trans-91.8111.9174.500000110.6
463S29.2Very low28.9Very low122 Ų122136.2 Ų136.285%0.85381%0.809SS**  trans-84.5112.6172.8-61.40000110.5
464T28.1Very low28.7Very low138 Ų138137.2 Ų137.285%0.84781%0.808SS**  trans-77.8118.8167.440.50000109.5
465S27.4Very low28.6Very low113 Ų113140.7 Ų140.779%0.7981%0.813SS**  trans-82.2120.1175.5-167.10000110.4
466S26.3Very low28.7Very low108 Ų108143.7 Ų143.776%0.75581%0.811SS**  trans-104.992.3174.6177.50000109.2K468S466-K468 PolarHBondContact O-N 3.36Å
467S27.7Very low28.7Very low114 Ų114143.6 Ų143.680%0.79782%0.815SS**  trans-76.7111.1173.7-61.50000109.9
468K27.1Very low28.6Very low187 Ų187145.9 Ų145.981%0.81382%0.821SS**  trans-87142.5162.3-80.8-172.5172.6-1760110.1S466S466-K468 PolarHBondContact O-N 3.36Å
469S27.3Very low28.4Very low91 Ų91141.3 Ų141.364%0.63682%0.817SS**  trans-53.9142.5-179.7-168.30000112.5D471S469-D471 PolarHBondContact OG-OD1 2.78Å
470F27.1Very low28.4Very low194 Ų194138.9 Ų138.985%0.85182%0.818SS**  trans-109.6120.2148.3-84.6-81.2000106.9C472F470-C472 PolarHBondContact O-N 3.5Å
471D28.3Very low28.3Very low145 Ų145136.1 Ų136.178%0.77582%0.816SS**  trans-78.3116.4-175.9-57.8-34.3000110.2S469S469-D471 PolarHBondContact OG-OD1 2.78Å
472C28.2Very low28.3Very low123 Ų123137.6 Ų137.683%0.83182%0.819SS**  trans-85110.3172.1-61.30000109.7F470 N474F470-C472 PolarHBondContact O-N 3.5Å; C472-N474 PolarHBondContact O-N 3.18Å
473M28.6Very low28.3Very low183 Ų183140.4 Ų140.490%0.90181%0.812SS**  trans-67.2124.6168.4-77-163.6167.200110.4L475M473-L475 PolarHBondContact O-N 3.44Å
474N25Very low28.4Very low145 Ų145143.4 Ų143.478%0.77580%0.804SS**  trans-85.8108.9-179.1-168.5-4.9000109.1C472C472-N474 PolarHBondContact O-N 3.18Å
475L28.2Very low28.4Very low165 Ų165144.1 Ų144.186%0.86480%0.798SS**  trans-105.1101.4176.1-75.1175.1000110.4M473M473-L475 PolarHBondContact O-N 3.44Å
476N29.7Very low28.5Very low140 Ų140147.5 Ų147.575%0.74980%0.801SS**  trans-121.9131157.7-102.9-24.6000107
477L29.4Very low28.6Very low176 Ų176146.4 Ų146.492%0.92180%0.799SS**  178.9144.1121.3-94.5166000111.1
478N30.8Very low28.7Very low167 Ų167146.2 Ų146.289%0.89380%0.804SS**  trans-93.7139.5170.6-126-0.6000108.9
479G28Very low28.6Very low80 Ų80141.3 Ų141.383%0.82581%0.807SS**  trans105.9138.1149.300000118.9
480G27.6Very low28.5Very low81 Ų81141 Ų14184%0.83582%0.818SS**  trans115103.4145.100000117
481E29.6Very low28.6Very low185 Ų185136.8 Ų136.886%0.86481%0.812SS**  trans-53.3139.7170-56.3158.6132.700114.2
482N29.1Very low28.7Very low158 Ų158135.1 Ų135.185%0.84580%0.803SS**  -173.4175.9116.5-111.2-36.8000115.4
483E31.1Very low28.9Very low134 Ų134136.7 Ų136.763%0.62680%0.796SS**  trans-79.9157.1-161-64.8-174.195.500119.3
484R31Very low28.9Very low185 Ų185135.5 Ų135.570%0.69879%0.789SS**  trans77.9140.4135.7-83.3172.8-144.7-140.69.9125.3
485E29.4Very low29.1Very low153 Ų153135.1 Ų135.172%0.71579%0.791SS**  trans77111.2138.4-76.3166.2-163.900123.6
486E28.4Very low28.9Very low183 Ų183130.4 Ų130.486%0.85578%0.783SS**  60.5139.8125.6-75.6-156.7144.900126.1
487A29.5Very low29.3Very low86 Ų86129.3 Ų129.371%0.71178%0.783SS**  trans73.399.1137.400000122.2
488A28.6Very low29.2Very low109 Ų109128 Ų12890%0.90178%0.777SS**  48.4129.6115.100000122.7
489G25.3Very low29Very low85 Ų85128 Ų12888%0.87678%0.776SS**  trans121.3134.3139.100000116.7
490G26.1Very low28.9Very low83 Ų83128 Ų12886%0.85678%0.776SS**  trans150.292.5167.800000115.9
491S28.9Very low28.9Very low106 Ų106128.1 Ų128.174%0.74178%0.777SS**  trans-71.4158.4160.449.80000110.5
492D30.4Very low29Very low110 Ų110124 Ų12459%0.58877%0.769SS**  177.7149.869.1-135.81.1000110.9
493K31.8Very low29Very low156 Ų156124.6 Ų124.668%0.67877%0.766SS**  trans55.8157143.9-68.9166.8-167.4148.10120.6
494E29Very low29Very low159 Ų159129 Ų12974%0.74378%0.777SS**  cis-161.415912-139.4155.7-151.200113.7
495T28.9Very low28.9Very low136 Ų136128.1 Ų128.183%0.83478%0.78SS**  trans69.3133.8156.411.30000123.2
496G24Very low28.9Very low66 Ų66126.6 Ų126.668%0.6879%0.786SS**  trans-98.3-144.4163.300000112.4
497P37.4Very low28.8Very low117 Ų117124 Ų12476%0.7678%0.783SS**  cis-146.8175.911.144.7-25.5000119
498L28Very low29Very low150 Ų150126.8 Ų126.879%0.78579%0.791SS**  trans80.7143.7142-83.8163.6000124.7
499L27.8Very low29.1Very low166 Ų166126.8 Ų126.887%0.86979%0.785SS**  trans70.2133.4162.1-62145.9000117.2
500G25.6Very low29.3Very low80 Ų80130.2 Ų130.283%0.82578%0.782SS**  cis166159.8-400000110.2
501G27.8Very low29.6Very low84 Ų84135.5 Ų135.587%0.86678%0.784SS**  trans132.192.8170.400000116.2
502S30Very low29.7Very low99 Ų99138.9 Ų138.969%0.69279%0.789SS**  trans-76.5138.8161.1173.80000109.7
503H29.2Very low29.7Very low170 Ų170142.6 Ų142.679%0.78780%0.802SS**  trans-153.5114.9144-103.3-71.4000112H505H503-H505 AromaticContact ND1-NE2 3.6Å
504R32Very low29.5Very low226 Ų226143.7 Ų143.785%0.85381%0.809SS**  trans-83.3130.5163.2-60.5172.5173.1-167.6-2.9108.4
505H29.7Very low29.5Very low166 Ų166144.3 Ų144.377%0.76982%0.817SS**  trans-145115147.1-74.2-64.8000109.3H503H503-H505 AromaticContact ND1-NE2 3.6Å
506S27.8Very low29.5Very low121 Ų121145.7 Ų145.785%0.84682%0.82SS**  trans-135.1116.2170.6-171.50000106.8
507T28Very low29.6Very low128 Ų128153.5 Ų153.579%0.78583%0.828SS**  trans-145.699.1-177.751.60000109.6
508V33.5Very low29.3Very low145 Ų145153.5 Ų153.588%0.87983%0.828SS**  trans-129.4123.1155.2179.50000106.9
509S29.8Very low29.3Very low109 Ų109155.2 Ų155.276%0.76283%0.832SS**  trans-75135.5-177.2-165.70000110.3
510L30.7Very low29.5Very low158 Ų158156.7 Ų156.783%0.82784%0.835SS**  trans-78.2136157.6-68.8169.2000107.8
511Q30.8Very low29.7Very low193 Ų193157.8 Ų157.890%0.90284%0.836SS**  trans-97115.6163.1-75178.5-39.200106.6
512E31.7Very low29.9Very low177 Ų177163.2 Ų163.283%0.82784%0.839SS**PPolyproline II helixtrans-83126.9173.7-66-174.7143.800109.5
513E29.3Very low29.9Very low188 Ų188162.7 Ų162.788%0.87984%0.841SS**PPolyproline II helixtrans-92.8122.2175.2-168.5172.5-166.600109.6L515E513-L515 PolarHBondContact O-N 3.12Å
514H28Very low30Very low179 Ų179163 Ų16383%0.82985%0.847SS**PPolyproline II helixtrans-71.1120-175.6-80-108.9000112
515L29Very low29.8Very low173 Ų173160 Ų16091%0.90685%0.847SS**PPolyproline II helixtrans-102.4120.2166.1-80.6168.6000111.2E513E513-L515 PolarHBondContact O-N 3.12Å
516N28.8Very low29.8Very low165 Ų165157.3 Ų157.388%0.88285%0.847SS**PPolyproline II helixtrans-68.3141.3177.8-69.4-51.9000111.7
517R26.6Very low30.5Very low230 Ų230157.9 Ų157.987%0.86885%0.848SS**  trans-118130.7177179.4179.4179.2164.31109.5
518P31Very low30.5Very low116 Ų116155.8 Ų155.875%0.75385%0.852SS**  trans-78.4143.617031.5-32000111.1
519E29.4Very low30.3Very low187 Ų187153.5 Ų153.587%0.87485%0.848SS**  trans-80.5143.7169.7-61.9178.7117.900110.8
520E30.6Very low30.9Very low197 Ų197153.5 Ų153.592%0.92185%0.845SS**  trans177.7123.3137.8-104.8177.6-166.500110.3
521A30.1Very low30.9Very low103 Ų103153.4 Ų153.485%0.85185%0.845SS**  trans168.7129142.900000110.8
522Q31.1Very low31Very low197 Ų197150.4 Ų150.492%0.92184%0.84SS**  trans-71.9156.2-173.8-72.8161.3-34.500114.6
523A30.4Very low31.1Very low89 Ų89150.4 Ų150.474%0.73684%0.837SS**  trans-88.8143168.900000112.1
524L31Very low31.2Very low176 Ų176149.9 Ų149.992%0.92184%0.835SS**  trans-138.3132.8156-74.5178.8000109.3
525L28.7Very low31.3Very low163 Ų163147.3 Ų147.385%0.85384%0.837SS**  trans-120.4152.3177.8-76.8169.4000110.7
526S30.3Very low31.5Very low109 Ų109151 Ų15176%0.76284%0.839SS**  trans116.3163.7142.2-430000115.6
527P41.7Very low31.5Very low133 Ų133148.8 Ų148.886%0.86484%0.836SS**  -135.8167.4-75.438.8-22.3000114.2
528G27.9Very low32Very low84 Ų84143.8 Ų143.887%0.86683%0.834SS**  trans168.9136.1168.300000114.6
529A29.9Very low32Very low98 Ų98143.6 Ų143.681%0.8184%0.835SS**  trans-121.2-175.2-174.500000110.9
530P42.9Very low32Very low108 Ų108144.7 Ų144.770%0.70184%0.837SS**  cis-139171.2-3.439.3-19.8000117.5
531L30.1Very low31.8Very low157 Ų157142.2 Ų142.282%0.82283%0.83SS**  trans57.6120.3149.8-69.8163000122.1
532T32.3Very low31.9Very low129 Ų129145.4 Ų145.479%0.79183%0.829SS**  -174.2140.3103.224.90000115.8
533K33.4Very low31.9Very low178 Ų178144.2 Ų144.277%0.77482%0.824SS**  trans54.6108.6149.2-65-176.5179-179.70123.5
534Q32.4Very low32Very low177 Ų177148 Ų14883%0.82783%0.83SS**  59.6107.3128-69174.8-46.900121.3
535S29.8Very low32.1Very low125 Ų125147.1 Ų147.187%0.87483%0.825SS**  -170.9143.195.141.20000111.1
536R33.2Very low32.4Very low251 Ų251143.9 Ų143.995%0.94782%0.816SS**  trans-129.3139.2173.9-83.3-170.4174.9-166.1-0.7109.5
537S28.6Very low32.6Very low117 Ų117147.2 Ų147.282%0.81882%0.819SS**PPolyproline II helixtrans-74.2150.1177.2-450000112.1
538P36.4Very low32.3Very low126 Ų126151.1 Ų151.182%0.81884%0.84SS**PPolyproline II helixtrans-86.2129.9178.633.4-32.7000112.2
539S31.8Very low32.5Very low112 Ų112154.5 Ų154.578%0.78384%0.839SS**PPolyproline II helixtrans-90122.2163.153.70000109.5
540F29.6Very low32.7Very low210 Ų210157.4 Ų157.492%0.92184%0.84SS**PPolyproline II helixtrans-73134179.6-138.5-97.3000111
541N27.1Very low32.1Very low144 Ų144160.2 Ų160.277%0.7785%0.848SS**  trans-127.9126.4-174.7-154.5-10.5000106.9
542M30.3Very low32.2Very low170 Ų170160.4 Ų160.484%0.83785%0.85SS**  trans-121.7110.2-175.9-163.8166.568.500110.1
543Q32.8Very low32.2Very low173 Ų173162.3 Ų162.381%0.80885%0.853SS**PPolyproline II helixtrans-80.8138.7-178.2-69.2169.5-51.200110.7
544I30.9Very low32.1Very low168 Ų168161.3 Ų161.386%0.86286%0.859SS**PPolyproline II helixtrans-82.4121.5168.1-60.9171.6000107.3
545I34.8Very low32.1Very low157 Ų157160.1 Ų160.181%0.80586%0.861SS**PPolyproline II helixtrans-95.8136.5171-65.7177.2000108.6
546S34.7Very low32.3Very low96 Ų96162.8 Ų162.867%0.67186%0.86SS**  trans-112.5169.8178.7173.40000109.4
547Q33.5Very low32.2Very low178 Ų178155.5 Ų155.583%0.83285%0.852SS**  trans82.2137.4-178.3-49.9175.34.700113.3
548V35.9Very low32.5Very low215 Ų215159 Ų159100%1.30386%0.856SS**  cis-113.8014178.70000112.1

Retrieved 548 of 548 residues in 995.2 ms (Link to these results)

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