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Hyccin 2

Component of a complex required to localize phosphatidylinositol 4-kinase (PI4K) to the plasma membrane.

AlphaFold DB , UniProt , Accession Q5R977, Species PONAB (Pongo abelii, Sumatran orangutan), Gene HYCC2, Length 530 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
1M52.3Low83.3Confident196 Ų19682.6 Ų82.697%0.96645%0.45SS*.  0-60.80-73-174174.900111.8G3 T4 D5M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 2.69Å; M1-T4 PolarHBondContact O-N 3.26Å; M1-T4 PolarHBondContact O-OG1 3.05Å; M1-D5 PolarHBondContact O-N 2.84Å
2L57.6Low84.3Confident144 Ų14475.8 Ų75.875%0.75441%0.413SS*.Hα-helixtrans-43.7-44-177.5-70.1165.8000115.5T4 D5 R6L2-T4 VanDerWaalsContact C-N 3.34Å; L2-T4 PolarHBondContact O-N 2.84Å; L2-D5 PolarHBondContact O-N 2.75Å; L2-R6 PolarHBondContact O-N 2.81Å
3G70.8Confident85.2Confident55 Ų5570.9 Ų70.957%0.56739%0.386SS*.Hα-helixtrans-62.9-29177.300000116M1 C7M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 2.69Å; G3-C7 WeakPolarHBondContact O-CB 3.46Å; G3-C7 PolarHBondContact O-N 2.73Å
4T83.2Confident85.9Confident95 Ų9571.1 Ų71.158%0.58340%0.395SS*.Hα-helixtrans-77-33.5174.1560000111.6M1 L2 V8M1-T4 PolarHBondContact O-N 3.26Å; M1-T4 PolarHBondContact O-OG1 3.05Å; L2-T4 VanDerWaalsContact C-N 3.34Å; L2-T4 PolarHBondContact O-N 2.84Å; T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 3.21Å
5D86.4Confident86.4Confident27 Ų2770.9 Ų70.914%0.14439%0.39CS..Hα-helixtrans-66.8-45174.8-59.1-57.2000110.6M1 L2 V8 V9 A40 K43M1-D5 PolarHBondContact O-N 2.84Å; L2-D5 PolarHBondContact O-N 2.75Å; D5-V8 PolarHBondContact O-N 2.96Å; D5-V9 WeakPolarHBondContact O-CG2 3.26Å; D5-V9 PolarHBondContact O-N 3.49Å; D5-A40 HydrophobicContact CB-CB 4.12Å; D5-K43 HydrophobicContact CB-CD 4.33Å; D5-K43 IonicContact OD1-NZ 3.61Å; D5-K43 PolarHBondContact OD1-NZ 3.07Å; D5-K43 IonicContact OD2-NZ 3.05Å; D5-K43 PolarHBondContact OD2-NZ 3.03Å
6R91.3Very high86.8Confident104 Ų10468.5 Ų68.539%0.39237%0.374SS..Hα-helixtrans-56.2-52.6176.7-168.6-171.7174117.115.3111.8L2 V8 V9 E10 E51 L52L2-R6 PolarHBondContact O-N 2.81Å; R6-V8 PolarHBondContact O-N 2.98Å; R6-V9 PolarHBondContact O-N 2.97Å; R6-V9 VanDerWaalsContact O-N 3.14Å; R6-E10 HydrophobicContact CG-CG 4.44Å; R6-E10 IonicContact CZ-OE1 3.21Å; R6-E10 IonicContact NE-OE1 3.32Å; R6-E10 PolarHBondContact NE-OE1 3.04Å; R6-E10 IonicContact NE-OE2 2.69Å; R6-E10 IonicContact NH2-OE1 2.84Å; R6-E10 PolarHBondContact NH2-OE1 3.05Å; R6-E10 WeakPolarHBondContact O-CG 3.47Å; R6-E10 PolarHBondContact O-N 2.79Å; R6-E51 IonicContact CZ-OE2 2.73Å; R6-E51 IonicContact NH1-OE2 3.18Å; R6-E51 PolarHBondContact NH1-OE2 2.94Å; R6-E51 IonicContact NH2-OE2 2.81Å; R6-E51 PolarHBondContact NH2-OE2 3.18Å; R6-L52 HydrophobicContact CG-CD1 3.84Å
7C92.8Very high87.1Confident75 Ų7573.4 Ų73.451%0.50739%0.391SS..Hα-helixtrans-58-44.1-178.8-174.40000112.7G3 V9 E10 E11G3-C7 WeakPolarHBondContact O-CB 3.46Å; G3-C7 PolarHBondContact O-N 2.73Å; C7-V9 VanDerWaalsContact C-N 3.3Å; C7-V9 PolarHBondContact O-N 2.91Å; C7-E10 PolarHBondContact O-N 2.85Å; C7-E11 WeakPolarHBondContact O-CB 3.49Å; C7-E11 PolarHBondContact O-N 3.5Å
8V95.1Very high87.2Confident30 Ų3073.8 Ų73.818%0.18241%0.406CS..Hα-helixtrans-64.3-33.1178.5168.90000112.4T4 D5 R6 W12 L37T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 3.21Å; D5-V8 PolarHBondContact O-N 2.96Å; R6-V8 PolarHBondContact O-N 2.98Å; V8-W12 WeakPolarHBondContact O-CB 3.45Å; V8-W12 PolarHBondContact O-N 3.31Å; V8-L37 HydrophobicContact CG1-CB 4.18Å; V8-L37 HydrophobicContact CG1-CD1 4.22Å
9V96Very high87.4Confident0 Ų071.7 Ų71.70%039%0.394CS..Hα-helixtrans-76.8-41.7175.7177.40000110.9D5 R6 C7 E11 W12 L13 L37 A40 L41 V44 L52 V56D5-V9 WeakPolarHBondContact O-CG2 3.26Å; D5-V9 PolarHBondContact O-N 3.49Å; R6-V9 PolarHBondContact O-N 2.97Å; R6-V9 VanDerWaalsContact O-N 3.14Å; C7-V9 VanDerWaalsContact C-N 3.3Å; C7-V9 PolarHBondContact O-N 2.91Å; V9-E11 PolarHBondContact O-N 2.97Å; V9-W12 HydrophobicContact CG1-CE3 4.42Å; V9-W12 PolarHBondContact O-N 3.41Å; V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 HydrophobicContact CG1-CG 4.31Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 3.21Å; V9-L37 HydrophobicContact CG2-CD1 4.49Å; V9-A40 HydrophobicContact CG2-CB 3.74Å; V9-L41 HydrophobicContact CG1-CD2 4.13Å; V9-L41 HydrophobicContact CG2-CD2 4.08Å; V9-V44 HydrophobicContact CG2-CG2 4.33Å; V9-L52 HydrophobicContact CB-CD1 3.96Å; V9-L52 HydrophobicContact CG1-CB 4.39Å; V9-L52 HydrophobicContact CG1-CD1 3.84Å; V9-V56 HydrophobicContact CG1-CG2 3.51Å
10E95.8Very high87.6Confident76 Ų7671.2 Ų71.236%0.35539%0.394SS..Hα-helixtrans-63.8-38.5176.1-72.1171156.600112.3R6 C7 L13 S14 L52R6-E10 HydrophobicContact CG-CG 4.44Å; R6-E10 IonicContact CZ-OE1 3.21Å; R6-E10 IonicContact NE-OE1 3.32Å; R6-E10 PolarHBondContact NE-OE1 3.04Å; R6-E10 IonicContact NE-OE2 2.69Å; R6-E10 IonicContact NH2-OE1 2.84Å; R6-E10 PolarHBondContact NH2-OE1 3.05Å; R6-E10 WeakPolarHBondContact O-CG 3.47Å; R6-E10 PolarHBondContact O-N 2.79Å; C7-E10 PolarHBondContact O-N 2.85Å; E10-L13 PolarHBondContact O-N 3.35Å; E10-S14 PolarHBondContact O-N 3Å; E10-S14 PolarHBondContact O-OG 3.38Å; E10-L52 HydrophobicContact CG-CD1 3.96Å; E10-L52 HydrophobicContact CG-CD2 3.92Å
11E94.8Very high87.7Confident107 Ų10774.5 Ų74.550%0.541%0.412SS..Hα-helixtrans-60.2-49.3170.2-176-174-17700111.2C7 V9 L13 S14 E15C7-E11 WeakPolarHBondContact O-CB 3.49Å; C7-E11 PolarHBondContact O-N 3.5Å; V9-E11 PolarHBondContact O-N 2.97Å; E11-L13 VanDerWaalsContact C-N 3.35Å; E11-L13 PolarHBondContact O-N 3.43Å; E11-S14 PolarHBondContact O-N 3.25Å; E11-S14 PolarHBondContact O-OG 3.19Å; E11-E15 WeakPolarHBondContact O-CB 3.36Å; E11-E15 PolarHBondContact O-N 3.25Å
12W95.9Very high89.5Confident1 Ų171.7 Ų71.70%0.00441%0.406CS..Hα-helixtrans-64.9-34.3178.5170.976.8000113.6V8 V9 F16 Y27 L37 L41 V56 Q59 L60 L63 F74V8-W12 WeakPolarHBondContact O-CB 3.45Å; V8-W12 PolarHBondContact O-N 3.31Å; V9-W12 HydrophobicContact CG1-CE3 4.42Å; V9-W12 PolarHBondContact O-N 3.41Å; W12-F16 PolarHBondContact O-N 3.08Å; W12-Y27 PolarHBondContact NE1-OH 3.22Å; W12-L37 HydrophobicContact CB-CD1 3.66Å; W12-L37 HydrophobicContact CB-CD2 4.31Å; W12-L37 HydrophobicContact CD2-CD1 3.9Å; W12-L37 HydrophobicContact CD2-CD2 4.17Å; W12-L37 HydrophobicContact CE3-CD1 4.36Å; W12-L37 HydrophobicContact CG-CD1 3.6Å; W12-L37 HydrophobicContact CG-CD2 3.68Å; W12-L37 HydrophobicContact CG-CG 4.29Å; W12-L41 HydrophobicContact CE3-CD2 4Å; W12-L41 HydrophobicContact CH2-CD1 4.32Å; W12-L41 HydrophobicContact CH2-CD2 4.17Å; W12-L41 HydrophobicContact CZ2-CD1 4.31Å; W12-L41 HydrophobicContact CZ3-CD2 3.73Å; W12-V56 HydrophobicContact CZ3-CG2 4.08Å; W12-Q59 VanDerWaalsContact CD2-NE2 3.26Å; W12-Q59 HydrophobicContact CH2-CB 3.98Å; W12-Q59 HydrophobicContact CH2-CG 3.72Å; W12-Q59 HydrophobicContact CZ2-CG 4.02Å; W12-Q59 HydrophobicContact CZ3-CB 4.21Å; W12-Q59 HydrophobicContact CZ3-CG 4.13Å; W12-Q59 PolarHBondContact O-NE2 3.18Å; W12-L60 HydrophobicContact CH2-CD2 4.26Å; W12-L60 HydrophobicContact CH2-CG 4.35Å; W12-L63 HydrophobicContact CH2-CD1 4.31Å; W12-L63 HydrophobicContact CZ2-CD1 3.54Å; W12-F74 AromaticContact CZ2-CE1 3.99Å; W12-F74 HydrophobicContact CZ2-CE1 3.99Å
13L96.4Very high91.2Very high12 Ų1269.5 Ų69.56%0.06339%0.392CS..Hα-helixtrans-68.5-35.2172.9-72.3172000112.1V9 E10 E11 K17 L52 P55 Q59V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 HydrophobicContact CG1-CG 4.31Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 3.21Å; E10-L13 PolarHBondContact O-N 3.35Å; E11-L13 VanDerWaalsContact C-N 3.35Å; E11-L13 PolarHBondContact O-N 3.43Å; L13-K17 WeakPolarHBondContact O-CD 3.49Å; L13-K17 WeakPolarHBondContact O-CG 3.28Å; L13-K17 PolarHBondContact O-N 3.33Å; L13-L52 HydrophobicContact CD1-CD2 4.33Å; L13-P55 HydrophobicContact CD1-CB 4.08Å; L13-P55 HydrophobicContact CD1-CG 4.15Å; L13-P55 HydrophobicContact CD2-CB 4.2Å; L13-P55 WeakPolarHBondContact CD2-O 3.33Å; L13-Q59 HydrophobicContact CD2-CB 3.95Å; L13-Q59 HydrophobicContact CD2-CG 4.45Å; L13-Q59 PolarHBondContact O-OE1 3.04Å
14S94.6Very high92.2Very high73 Ų7368.2 Ų68.251%0.5137%0.371SS..Hα-helixtrans-77.6-40.1178.668.10000112.6E10 E11 F16 K17 A18E10-S14 PolarHBondContact O-N 3Å; E10-S14 PolarHBondContact O-OG 3.38Å; E11-S14 PolarHBondContact O-N 3.25Å; E11-S14 PolarHBondContact O-OG 3.19Å; S14-F16 PolarHBondContact O-N 3.49Å; S14-K17 PolarHBondContact O-N 3.33Å; S14-A18 PolarHBondContact O-N 3.46Å
15E93.5Very high92.7Very high69 Ų6967.8 Ų67.832%0.32237%0.369SS..Hα-helixtrans-61.1-42.9179.8-173.8179.1108.300112.7E11 A18 L19 Y27 K34E11-E15 WeakPolarHBondContact O-CB 3.36Å; E11-E15 PolarHBondContact O-N 3.25Å; E15-A18 PolarHBondContact O-N 3.21Å; E15-L19 PolarHBondContact O-N 2.86Å; E15-Y27 HydrophobicContact CG-CE2 4.14Å; E15-Y27 WeakPolarHBondContact OE1-CE2 3.34Å; E15-K34 IonicContact OE1-NZ 3.87Å; E15-K34 PolarHBondContact OE1-NZ 3.2Å; E15-K34 IonicContact OE2-NZ 2.68Å; E15-K34 PolarHBondContact OE2-NZ 2.9Å
16F91.8Very high93Very high32 Ų3270.2 Ų70.214%0.1439%0.388CS..Hα-helixtrans-72.9-37.6178.8-174-108000112.5W12 S14 A18 L19 Y27 Q59 E62 L63W12-F16 PolarHBondContact O-N 3.08Å; S14-F16 PolarHBondContact O-N 3.49Å; F16-A18 PolarHBondContact O-N 3.3Å; F16-L19 HydrophobicContact CD2-CD2 3.94Å; F16-L19 HydrophobicContact CE2-CD2 4.14Å; F16-L19 VanDerWaalsContact O-CB 3.26Å; F16-L19 WeakPolarHBondContact O-CB 3.44Å; F16-L19 PolarHBondContact O-N 2.92Å; F16-Y27 HydrophobicContact CD2-CD1 4.3Å; F16-Y27 AromaticContact CD2-CE1 3.86Å; F16-Y27 HydrophobicContact CD2-CE1 3.86Å; F16-Y27 AromaticContact CD2-CZ 4Å; F16-Y27 HydrophobicContact CE2-CE1 4.48Å; F16-Q59 HydrophobicContact CB-CG 4.45Å; F16-Q59 HydrophobicContact CD1-CG 3.64Å; F16-Q59 HydrophobicContact CE1-CG 4.23Å; F16-Q59 HydrophobicContact CG-CG 4.24Å; F16-E62 HydrophobicContact CE1-CB 4.12Å; F16-L63 HydrophobicContact CD2-CD2 3.72Å; F16-L63 HydrophobicContact CE1-CD2 4.25Å; F16-L63 HydrophobicContact CE1-CG 4.4Å; F16-L63 HydrophobicContact CE2-CD2 3.34Å; F16-L63 HydrophobicContact CE2-CG 4.32Å; F16-L63 HydrophobicContact CG-CD2 4.33Å; F16-L63 HydrophobicContact CZ-CD2 3.64Å; F16-L63 HydrophobicContact CZ-CG 4.18Å
17K91.8Very high93.2Very high151 Ų15165.6 Ų65.666%0.65737%0.371SS*.Hα-helixtrans-64.1-21.8175.1-74.3175.9-177-178.80113.7L13 S14L13-K17 WeakPolarHBondContact O-CD 3.49Å; L13-K17 WeakPolarHBondContact O-CG 3.28Å; L13-K17 PolarHBondContact O-N 3.33Å; S14-K17 PolarHBondContact O-N 3.33Å
18A90.4Very high93.2Very high81 Ų8162.4 Ų62.467%0.66935%0.35SS*.THydrogen-bonded Turntrans-94.8-1.4175.300000113.7S14 E15 F16 P20S14-A18 PolarHBondContact O-N 3.46Å; E15-A18 PolarHBondContact O-N 3.21Å; F16-A18 PolarHBondContact O-N 3.3Å; A18-P20 WeakPolarHBondContact O-CD 3.21Å
19L90.9Very high93Very high34 Ų3462.6 Ų62.618%0.17835%0.354CS..  trans-84.5123.8-172.3-168.274.5000111.5E15 F16 Q23 I24 Y27E15-L19 PolarHBondContact O-N 2.86Å; F16-L19 HydrophobicContact CD2-CD2 3.94Å; F16-L19 HydrophobicContact CE2-CD2 4.14Å; F16-L19 VanDerWaalsContact O-CB 3.26Å; F16-L19 WeakPolarHBondContact O-CB 3.44Å; F16-L19 PolarHBondContact O-N 2.92Å; L19-Q23 HydrophobicContact CD1-CB 3.63Å; L19-Q23 HydrophobicContact CG-CB 4.08Å; L19-I24 HydrophobicContact CD2-CG1 4.2Å; L19-Y27 HydrophobicContact CD1-CD2 4.41Å; L19-Y27 HydrophobicContact CD2-CD1 4.14Å; L19-Y27 HydrophobicContact CD2-CD2 3.99Å; L19-Y27 HydrophobicContact CD2-CG 3.64Å
20P91.1Very high92.9Very high61 Ų6165 Ų6540%0.39637%0.369SS..  trans-70.1147.4170.2-17.532.1000111.7A18 T22 Q23A18-P20 WeakPolarHBondContact O-CD 3.21Å; P20-T22 PolarHBondContact O-N 3.37Å; P20-Q23 HydrophobicContact CG-CG 4.49Å; P20-Q23 WeakPolarHBondContact O-CB 3.37Å; P20-Q23 PolarHBondContact O-N 3.14Å
21D88.6Confident92.6Very high142 Ų14261.8 Ų61.876%0.75935%0.354SS*.G310 helixtrans-51.2-36.7179.7-61.4-32.7000113.4Q23 I24D21-Q23 PolarHBondContact O-N 3.01Å; D21-Q23 VanDerWaalsContact O-N 3.08Å; D21-I24 HydrophobicContact CB-CD1 4.28Å; D21-I24 WeakPolarHBondContact O-CB 3.17Å; D21-I24 WeakPolarHBondContact O-CG1 3.34Å; D21-I24 PolarHBondContact O-N 3.25Å
22T90.8Very high92.3Very high137 Ų13763.3 Ų63.384%0.8436%0.361SS*.G310 helixtrans-63-12.9177.856.20000114.3P20P20-T22 PolarHBondContact O-N 3.37Å
23Q93.1Very high91.9Very high97 Ų9771.5 Ų71.545%0.45339%0.392SS..G310 helixtrans-107.1-3.8-179.8-56.9-169.724.400113.6L19 P20 D21 T25 S26 Y27L19-Q23 HydrophobicContact CD1-CB 3.63Å; L19-Q23 HydrophobicContact CG-CB 4.08Å; P20-Q23 HydrophobicContact CG-CG 4.49Å; P20-Q23 WeakPolarHBondContact O-CB 3.37Å; P20-Q23 PolarHBondContact O-N 3.14Å; D21-Q23 PolarHBondContact O-N 3.01Å; D21-Q23 VanDerWaalsContact O-N 3.08Å; Q23-T25 PolarHBondContact O-N 3.39Å; Q23-S26 WeakPolarHBondContact O-CA 3.36Å; Q23-S26 VanDerWaalsContact O-CB 3.31Å; Q23-S26 WeakPolarHBondContact O-CB 3.33Å; Q23-S26 PolarHBondContact O-N 3.46Å; Q23-Y27 PolarHBondContact O-N 2.87Å
24I92.8Very high91.6Very high28 Ų2873.2 Ų73.214%0.14440%0.399CS..Hα-helixtrans-53.2-49.4-176.6-71174.1000112.3L19 D21 S26 Y27 A28 E68 L71L19-I24 HydrophobicContact CD2-CG1 4.2Å; D21-I24 HydrophobicContact CB-CD1 4.28Å; D21-I24 WeakPolarHBondContact O-CB 3.17Å; D21-I24 WeakPolarHBondContact O-CG1 3.34Å; D21-I24 PolarHBondContact O-N 3.25Å; I24-S26 VanDerWaalsContact C-N 3.28Å; I24-S26 PolarHBondContact O-N 3.31Å; I24-Y27 PolarHBondContact O-N 2.97Å; I24-A28 WeakPolarHBondContact O-CB 3.23Å; I24-A28 PolarHBondContact O-N 3.09Å; I24-E68 HydrophobicContact CG2-CB 4.31Å; I24-L71 HydrophobicContact CG2-CD1 3.61Å
25T93Very high91.4Very high86 Ų8678.5 Ų78.553%0.52841%0.413SS..Hα-helixtrans-66.3-28.2178.4-62.80000113Q23 A29 E68Q23-T25 PolarHBondContact O-N 3.39Å; T25-A29 PolarHBondContact O-N 3.27Å; T25-E68 WeakPolarHBondContact CB-OE2 3.35Å; T25-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T25-E68 PolarHBondContact OG1-OE2 2.96Å
26S93.5Very high91.4Very high78 Ų7879.5 Ų79.555%0.54542%0.423SS..Hα-helixtrans-71.5-47.4174.3-171.70000111.1Q23 I24 A28 A29 T30Q23-S26 WeakPolarHBondContact O-CA 3.36Å; Q23-S26 VanDerWaalsContact O-CB 3.31Å; Q23-S26 WeakPolarHBondContact O-CB 3.33Å; Q23-S26 PolarHBondContact O-N 3.46Å; I24-S26 VanDerWaalsContact C-N 3.28Å; I24-S26 PolarHBondContact O-N 3.31Å; S26-A28 VanDerWaalsContact C-N 3.31Å; S26-A28 PolarHBondContact O-N 3.32Å; S26-A29 CarbonylContact O-C 3.58Å; S26-A29 WeakPolarHBondContact O-CA 3.19Å; S26-A29 WeakPolarHBondContact O-CB 3.48Å; S26-A29 PolarHBondContact O-N 2.97Å; S26-T30 PolarHBondContact O-N 3.43Å
27Y94Very high91.6Very high8 Ų878 Ų783%0.03142%0.417CS..Hα-helixtrans-58.3-42.1172.9175-91.1000111.9W12 E15 F16 L19 Q23 I24 A29 T30 L31 L63 L71W12-Y27 PolarHBondContact NE1-OH 3.22Å; E15-Y27 HydrophobicContact CG-CE2 4.14Å; E15-Y27 WeakPolarHBondContact OE1-CE2 3.34Å; F16-Y27 HydrophobicContact CD2-CD1 4.3Å; F16-Y27 AromaticContact CD2-CE1 3.86Å; F16-Y27 HydrophobicContact CD2-CE1 3.86Å; F16-Y27 AromaticContact CD2-CZ 4Å; F16-Y27 HydrophobicContact CE2-CE1 4.48Å; L19-Y27 HydrophobicContact CD1-CD2 4.41Å; L19-Y27 HydrophobicContact CD2-CD1 4.14Å; L19-Y27 HydrophobicContact CD2-CD2 3.99Å; L19-Y27 HydrophobicContact CD2-CG 3.64Å; Q23-Y27 PolarHBondContact O-N 2.87Å; I24-Y27 PolarHBondContact O-N 2.97Å; Y27-A29 PolarHBondContact O-N 3.09Å; Y27-A29 VanDerWaalsContact O-N 3.17Å; Y27-T30 PolarHBondContact O-N 3.06Å; Y27-T30 PolarHBondContact O-OG1 3.03Å; Y27-L31 HydrophobicContact CE1-CD1 4.42Å; Y27-L31 HydrophobicContact CE1-CD2 4.19Å; Y27-L31 WeakPolarHBondContact O-CB 3.47Å; Y27-L31 PolarHBondContact O-N 3.1Å; Y27-L63 HydrophobicContact CE1-CD2 3.91Å; Y27-L71 HydrophobicContact CD1-CD2 4.36Å; Y27-L71 HydrophobicContact CE1-CD2 4.48Å
28A93.5Very high91.8Very high8 Ų872.2 Ų72.27%0.06639%0.394CS..Hα-helixtrans-62.6-20.5173.500000113.8I24 S26 E68 R70 L71I24-A28 WeakPolarHBondContact O-CB 3.23Å; I24-A28 PolarHBondContact O-N 3.09Å; S26-A28 VanDerWaalsContact C-N 3.31Å; S26-A28 PolarHBondContact O-N 3.32Å; A28-E68 HydrophobicContact CB-CG 3.58Å; A28-R70 HydrophobicContact CB-CB 3.99Å; A28-L71 HydrophobicContact CB-CD1 4.08Å; A28-L71 HydrophobicContact CB-CD2 3.63Å; A28-L71 HydrophobicContact CB-CG 3.63Å
29A91.7Very high92.1Very high33 Ų3371.6 Ų71.627%0.27338%0.383SS..Hα-helixtrans-90.4-12172.500000114.1T25 S26 Y27 H32T25-A29 PolarHBondContact O-N 3.27Å; S26-A29 CarbonylContact O-C 3.58Å; S26-A29 WeakPolarHBondContact O-CA 3.19Å; S26-A29 WeakPolarHBondContact O-CB 3.48Å; S26-A29 PolarHBondContact O-N 2.97Å; Y27-A29 PolarHBondContact O-N 3.09Å; Y27-A29 VanDerWaalsContact O-N 3.17Å; A29-H32 PolarHBondContact O-CD2 3.43Å; A29-H32 PolarHBondContact O-NE2 2.87Å
30T92.1Very high92.3Very high51 Ų5170 Ų7031%0.31338%0.375SS..Hα-helixtrans-103.2-27.1175.461.20000113.3S26 Y27 H32 R33S26-T30 PolarHBondContact O-N 3.43Å; Y27-T30 PolarHBondContact O-N 3.06Å; Y27-T30 PolarHBondContact O-OG1 3.03Å; T30-H32 VanDerWaalsContact C-N 3.25Å; T30-H32 PolarHBondContact O-N 3.1Å; T30-H32 VanDerWaalsContact O-N 3.11Å; T30-R33 WeakPolarHBondContact O-CB 3.41Å; T30-R33 VanDerWaalsContact O-CG 3.27Å; T30-R33 WeakPolarHBondContact O-CG 3.39Å; T30-R33 PolarHBondContact O-N 3.43Å
31L91.2Very high92.6Very high8 Ų867.1 Ų67.14%0.04236%0.356CS..G310 helixtrans-52.8-37.5-173.7-173.458000113.9Y27 R33 K34 L37 L71 F74Y27-L31 HydrophobicContact CE1-CD1 4.42Å; Y27-L31 HydrophobicContact CE1-CD2 4.19Å; Y27-L31 WeakPolarHBondContact O-CB 3.47Å; Y27-L31 PolarHBondContact O-N 3.1Å; L31-R33 PolarHBondContact O-N 3.37Å; L31-K34 PolarHBondContact O-N 2.92Å; L31-K34 VanDerWaalsContact O-N 3.12Å; L31-L37 HydrophobicContact CD1-CD2 3.66Å; L31-L71 HydrophobicContact CD2-CD2 3.75Å; L31-F74 HydrophobicContact CD1-CE2 4.15Å; L31-F74 HydrophobicContact CD1-CZ 4.16Å; L31-F74 HydrophobicContact CD2-CB 4.15Å; L31-F74 HydrophobicContact CD2-CD1 3.72Å; L31-F74 HydrophobicContact CD2-CD2 3.55Å; L31-F74 HydrophobicContact CD2-CE1 3.97Å; L31-F74 HydrophobicContact CD2-CE2 3.79Å; L31-F74 HydrophobicContact CD2-CG 3.51Å; L31-F74 HydrophobicContact CD2-CZ 4Å; L31-F74 HydrophobicContact CG-CD2 3.85Å; L31-F74 HydrophobicContact CG-CE2 3.76Å; L31-F74 HydrophobicContact CG-CG 4.33Å; L31-F74 HydrophobicContact CG-CZ 4.18Å
32H87Confident93Very high139 Ų13961.3 Ų61.364%0.64432%0.324SS*.G310 helixtrans-61.8-14.1177.48387.1000114.6A29 T30A29-H32 PolarHBondContact O-CD2 3.43Å; A29-H32 PolarHBondContact O-NE2 2.87Å; T30-H32 VanDerWaalsContact C-N 3.25Å; T30-H32 PolarHBondContact O-N 3.1Å; T30-H32 VanDerWaalsContact O-N 3.11Å
33R88.6Confident93.2Very high174 Ų17458.9 Ų58.966%0.65730%0.302SS*.G310 helixtrans-81.8-21.7179.4-56.1175.4-175-165.4-0.8112.1T30 L31 K35T30-R33 WeakPolarHBondContact O-CB 3.41Å; T30-R33 VanDerWaalsContact O-CG 3.27Å; T30-R33 WeakPolarHBondContact O-CG 3.39Å; T30-R33 PolarHBondContact O-N 3.43Å; L31-R33 PolarHBondContact O-N 3.37Å; R33-K35 VanDerWaalsContact C-N 3.26Å; R33-K35 PolarHBondContact O-N 3.43Å
34K90.4Very high93.4Very high48 Ų4854.7 Ų54.721%0.20928%0.282CS..  trans-78.266.9-178.6-64.4-172.8169.1-1760111.6E15 L31 T36 L37E15-K34 IonicContact OE1-NZ 3.87Å; E15-K34 PolarHBondContact OE1-NZ 3.2Å; E15-K34 IonicContact OE2-NZ 2.68Å; E15-K34 PolarHBondContact OE2-NZ 2.9Å; L31-K34 PolarHBondContact O-N 2.92Å; L31-K34 VanDerWaalsContact O-N 3.12Å; K34-T36 PolarHBondContact O-N 2.72Å; K34-T36 VanDerWaalsContact O-N 3.09Å; K34-L37 HydrophobicContact CB-CB 3.86Å; K34-L37 HydrophobicContact CB-CD2 4.27Å; K34-L37 HydrophobicContact CD-CD2 4.32Å; K34-L37 VanDerWaalsContact O-CB 3.31Å; K34-L37 WeakPolarHBondContact O-CB 3.38Å; K34-L37 PolarHBondContact O-N 2.68Å
35K89.7Confident93.5Very high184 Ų18453.3 Ų53.380%0.828%0.276SS*.THydrogen-bonded Turntrans-56.4-27.2-174.7-65.8-172.9179.5-175.70114.7R33 P39R33-K35 VanDerWaalsContact C-N 3.26Å; R33-K35 PolarHBondContact O-N 3.43Å; K35-P39 VanDerWaalsContact O-CD 3.27Å; K35-P39 WeakPolarHBondContact O-CD 3.42Å
36T94.2Very high93.5Very high89 Ų8952.9 Ų52.955%0.54627%0.267SS..THydrogen-bonded Turntrans-77.9-25.5176.744.30000113.9K34 P39 A40K34-T36 PolarHBondContact O-N 2.72Å; K34-T36 VanDerWaalsContact O-N 3.09Å; T36-P39 WeakPolarHBondContact O-CD 3.45Å; T36-A40 PolarHBondContact O-N 3.11Å
37L95.8Very high93.4Very high1 Ų152.4 Ų52.41%0.00526%0.259CS..Hα-helixtrans-67.4-47.6-173176.165.7000112.4V8 V9 W12 L31 K34 A40 L41 F74V8-L37 HydrophobicContact CG1-CB 4.18Å; V8-L37 HydrophobicContact CG1-CD1 4.22Å; V9-L37 HydrophobicContact CG2-CD1 4.49Å; W12-L37 HydrophobicContact CB-CD1 3.66Å; W12-L37 HydrophobicContact CB-CD2 4.31Å; W12-L37 HydrophobicContact CD2-CD1 3.9Å; W12-L37 HydrophobicContact CD2-CD2 4.17Å; W12-L37 HydrophobicContact CE3-CD1 4.36Å; W12-L37 HydrophobicContact CG-CD1 3.6Å; W12-L37 HydrophobicContact CG-CD2 3.68Å; W12-L37 HydrophobicContact CG-CG 4.29Å; L31-L37 HydrophobicContact CD1-CD2 3.66Å; K34-L37 HydrophobicContact CB-CB 3.86Å; K34-L37 HydrophobicContact CB-CD2 4.27Å; K34-L37 HydrophobicContact CD-CD2 4.32Å; K34-L37 VanDerWaalsContact O-CB 3.31Å; K34-L37 WeakPolarHBondContact O-CB 3.38Å; K34-L37 PolarHBondContact O-N 2.68Å; L37-A40 WeakPolarHBondContact O-CB 3.37Å; L37-A40 PolarHBondContact O-N 2.96Å; L37-L41 HydrophobicContact CD1-CD1 3.87Å; L37-L41 HydrophobicContact CD1-CD2 4.26Å; L37-L41 HydrophobicContact CD1-CG 3.84Å; L37-L41 HydrophobicContact CD2-CD1 4.31Å; L37-L41 HydrophobicContact CG-CD1 3.76Å; L37-L41 HydrophobicContact CG-CG 4.14Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; L37-L41 PolarHBondContact O-N 3.21Å; L37-F74 HydrophobicContact CD2-CE2 4.48Å; L37-F74 HydrophobicContact CD2-CZ 3.92Å
38V95.5Very high93Very high29 Ų2952.7 Ų52.718%0.17626%0.262CS..Hα-helixtrans-60.3-48.1-176.9173.60000111.6A40 L41 Y42 F74 F78V38-A40 VanDerWaalsContact C-N 3.3Å; V38-A40 PolarHBondContact O-N 3.08Å; V38-L41 PolarHBondContact O-N 3.27Å; V38-Y42 HydrophobicContact CG1-CD2 3.85Å; V38-Y42 HydrophobicContact CG1-CE2 3.68Å; V38-Y42 VanDerWaalsContact O-CD2 3.28Å; V38-Y42 WeakPolarHBondContact O-CD2 3.2Å; V38-Y42 PolarHBondContact O-N 2.82Å; V38-F74 HydrophobicContact CG2-CE2 3.86Å; V38-F74 HydrophobicContact CG2-CZ 4.45Å; V38-F78 HydrophobicContact CB-CZ 4.44Å; V38-F78 HydrophobicContact CG1-CE1 4.01Å; V38-F78 HydrophobicContact CG1-CZ 4.1Å; V38-F78 HydrophobicContact CG2-CZ 4.27Å
39P95.9Very high92.7Very high68 Ų6858.8 Ų58.844%0.44229%0.293SS..Hα-helixtrans-58.7-33.6171.1-26.635.4000115K35 T36 K43K35-P39 VanDerWaalsContact O-CD 3.27Å; K35-P39 WeakPolarHBondContact O-CD 3.42Å; T36-P39 WeakPolarHBondContact O-CD 3.45Å; P39-K43 WeakPolarHBondContact O-CG 3.22Å; P39-K43 PolarHBondContact O-N 3.32Å
40A96.6Very high92.6Very high1 Ų159.2 Ų59.21%0.00829%0.291CS..Hα-helixtrans-71.7-43.5177.500000111.9D5 V9 T36 L37 V38 Y42 K43 V44D5-A40 HydrophobicContact CB-CB 4.12Å; V9-A40 HydrophobicContact CG2-CB 3.74Å; T36-A40 PolarHBondContact O-N 3.11Å; L37-A40 WeakPolarHBondContact O-CB 3.37Å; L37-A40 PolarHBondContact O-N 2.96Å; V38-A40 VanDerWaalsContact C-N 3.3Å; V38-A40 PolarHBondContact O-N 3.08Å; A40-Y42 PolarHBondContact O-N 3.35Å; A40-K43 WeakPolarHBondContact O-CB 3.44Å; A40-K43 PolarHBondContact O-N 3.35Å; A40-K43 VanDerWaalsContact O-N 3.14Å; A40-V44 PolarHBondContact O-N 3.27Å; A40-V44 VanDerWaalsContact O-N 3.08Å
41L97.2Very high92.7Very high0 Ų063.5 Ų63.50%031%0.308CS..Hα-helixtrans-62.2-40175.5-67.6174.2000112.1V9 W12 L37 V38 K43 V44 I45 V56 F74 F78V9-L41 HydrophobicContact CG1-CD2 4.13Å; V9-L41 HydrophobicContact CG2-CD2 4.08Å; W12-L41 HydrophobicContact CE3-CD2 4Å; W12-L41 HydrophobicContact CH2-CD1 4.32Å; W12-L41 HydrophobicContact CH2-CD2 4.17Å; W12-L41 HydrophobicContact CZ2-CD1 4.31Å; W12-L41 HydrophobicContact CZ3-CD2 3.73Å; L37-L41 HydrophobicContact CD1-CD1 3.87Å; L37-L41 HydrophobicContact CD1-CD2 4.26Å; L37-L41 HydrophobicContact CD1-CG 3.84Å; L37-L41 HydrophobicContact CD2-CD1 4.31Å; L37-L41 HydrophobicContact CG-CD1 3.76Å; L37-L41 HydrophobicContact CG-CG 4.14Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; L37-L41 PolarHBondContact O-N 3.21Å; V38-L41 PolarHBondContact O-N 3.27Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.38Å; L41-V44 PolarHBondContact O-N 2.98Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 2.95Å; L41-V56 HydrophobicContact CD2-CB 4.48Å; L41-V56 HydrophobicContact CD2-CG1 3.8Å; L41-V56 HydrophobicContact CD2-CG2 3.78Å; L41-F74 HydrophobicContact CD1-CE1 4.07Å; L41-F74 HydrophobicContact CD1-CZ 3.76Å; L41-F78 HydrophobicContact CB-CE1 3.75Å; L41-F78 HydrophobicContact CB-CZ 3.71Å; L41-F78 HydrophobicContact CD1-CE1 4.5Å; L41-F78 HydrophobicContact CD1-CE2 3.93Å; L41-F78 HydrophobicContact CD1-CZ 3.61Å; L41-F78 HydrophobicContact CG-CZ 4.32Å
42Y96.9Very high92.8Very high20 Ų2063.7 Ų63.78%0.07831%0.309CS..Hα-helixtrans-58.6-40.2172.6-89.3-71.7000112.6V38 A40 I45 Q46 Q77 F78 E81 S199V38-Y42 HydrophobicContact CG1-CD2 3.85Å; V38-Y42 HydrophobicContact CG1-CE2 3.68Å; V38-Y42 VanDerWaalsContact O-CD2 3.28Å; V38-Y42 WeakPolarHBondContact O-CD2 3.2Å; V38-Y42 PolarHBondContact O-N 2.82Å; A40-Y42 PolarHBondContact O-N 3.35Å; Y42-I45 PolarHBondContact O-N 3.26Å; Y42-Q46 WeakPolarHBondContact O-CB 3.41Å; Y42-Q46 VanDerWaalsContact O-CG 3.22Å; Y42-Q46 WeakPolarHBondContact O-CG 3.4Å; Y42-Q46 PolarHBondContact O-N 3Å; Y42-Q77 PolarHBondContact OH-O 3.06Å; Y42-F78 HydrophobicContact CD1-CD1 4.23Å; Y42-F78 AromaticContact CD2-CD1 3.99Å; Y42-F78 HydrophobicContact CD2-CD1 3.99Å; Y42-F78 AromaticContact CD2-CE1 3.67Å; Y42-F78 HydrophobicContact CD2-CE1 3.67Å; Y42-F78 HydrophobicContact CE1-CD1 4.05Å; Y42-F78 AromaticContact CE2-CD1 3.77Å; Y42-F78 HydrophobicContact CE2-CD1 3.77Å; Y42-F78 AromaticContact CE2-CE1 3.65Å; Y42-F78 HydrophobicContact CE2-CE1 3.65Å; Y42-F78 HydrophobicContact CG-CD1 4.2Å; Y42-F78 HydrophobicContact CG-CE1 4.19Å; Y42-F78 AromaticContact CZ-CD1 3.81Å; Y42-E81 HydrophobicContact CD1-CB 4.22Å; Y42-E81 HydrophobicContact CD1-CG 4.29Å; Y42-E81 HydrophobicContact CE1-CB 4.1Å; Y42-S199 WeakPolarHBondContact OH-CA 3.46Å
43K95.5Very high93.2Very high87 Ų8757.2 Ų57.238%0.37828%0.279SS..Hα-helixtrans-64.9-44.9176.6-67.7165.5-175.5175.20111.7D5 P39 A40 L41 I45 Q46 D47D5-K43 HydrophobicContact CB-CD 4.33Å; D5-K43 IonicContact OD1-NZ 3.61Å; D5-K43 PolarHBondContact OD1-NZ 3.07Å; D5-K43 IonicContact OD2-NZ 3.05Å; D5-K43 PolarHBondContact OD2-NZ 3.03Å; P39-K43 WeakPolarHBondContact O-CG 3.22Å; P39-K43 PolarHBondContact O-N 3.32Å; A40-K43 WeakPolarHBondContact O-CB 3.44Å; A40-K43 PolarHBondContact O-N 3.35Å; A40-K43 VanDerWaalsContact O-N 3.14Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.38Å; K43-I45 VanDerWaalsContact C-N 3.32Å; K43-I45 PolarHBondContact O-N 3.15Å; K43-Q46 PolarHBondContact O-N 2.97Å; K43-D47 WeakPolarHBondContact O-CB 3.37Å; K43-D47 PolarHBondContact O-N 3.08Å; K43-D47 VanDerWaalsContact O-N 3.08Å
44V95.6Very high93.5Very high8 Ų855.6 Ų55.65%0.04828%0.279CS..Hα-helixtrans-62.1-39.2177.7174.20000111.4V9 A40 L41 N50 L52 L53 V56V9-V44 HydrophobicContact CG2-CG2 4.33Å; A40-V44 PolarHBondContact O-N 3.27Å; A40-V44 VanDerWaalsContact O-N 3.08Å; L41-V44 PolarHBondContact O-N 2.98Å; V44-N50 HydrophobicContact CG1-CB 4.24Å; V44-L52 HydrophobicContact CG1-CB 4.05Å; V44-L52 HydrophobicContact CG2-CB 4.43Å; V44-L53 HydrophobicContact CG1-CB 4.17Å; V44-L53 HydrophobicContact CG1-CD1 4.41Å; V44-V56 HydrophobicContact CG1-CB 4.38Å; V44-V56 HydrophobicContact CG1-CG2 4.11Å
45I95.4Very high93.8Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-70.2-38.7177.6-68.5166.8000111.9L41 Y42 K43 L53 L60 F78 E81 L82 V85L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 2.95Å; Y42-I45 PolarHBondContact O-N 3.26Å; K43-I45 VanDerWaalsContact C-N 3.32Å; K43-I45 PolarHBondContact O-N 3.15Å; I45-L53 HydrophobicContact CG1-CD1 4.36Å; I45-L60 HydrophobicContact CD1-CD1 4.3Å; I45-F78 HydrophobicContact CD1-CB 3.88Å; I45-F78 HydrophobicContact CD1-CD1 3.97Å; I45-F78 HydrophobicContact CD1-CG 3.98Å; I45-E81 HydrophobicContact CG2-CB 4.09Å; I45-E81 HydrophobicContact CG2-CG 4.14Å; I45-L82 HydrophobicContact CD1-CD2 4.17Å; I45-L82 HydrophobicContact CD1-CG 4.35Å; I45-L82 HydrophobicContact CG1-CD2 4.19Å; I45-L82 HydrophobicContact CG2-CD2 3.85Å; I45-L82 HydrophobicContact CG2-CG 4.19Å; I45-V85 HydrophobicContact CG2-CG2 4.46Å; I45-V85 WeakPolarHBondContact O-CG2 3.39Å
46Q93.1Very high94.1Very high76 Ų7646.4 Ų46.436%0.35524%0.243SC..Hα-helixtrans-69.9-33.4-179.8-75.8171.3-15.600113.3Y42 K43 S48 E81 R88Y42-Q46 WeakPolarHBondContact O-CB 3.41Å; Y42-Q46 VanDerWaalsContact O-CG 3.22Å; Y42-Q46 WeakPolarHBondContact O-CG 3.4Å; Y42-Q46 PolarHBondContact O-N 3Å; K43-Q46 PolarHBondContact O-N 2.97Å; Q46-S48 PolarHBondContact O-N 3.45Å; Q46-E81 HydrophobicContact CG-CG 3.7Å; Q46-E81 WeakPolarHBondContact CG-OE1 3.35Å; Q46-E81 PolarHBondContact NE2-OE1 3.28Å; Q46-R88 PolarHBondContact O-NH2 2.96Å
47D90.7Very high94.3Very high69 Ų6942.2 Ų42.237%0.36922%0.217SC..  trans-84.291.7175.4178.215.1000111K43 N49 N50K43-D47 WeakPolarHBondContact O-CB 3.37Å; K43-D47 PolarHBondContact O-N 3.08Å; K43-D47 VanDerWaalsContact O-N 3.08Å; D47-N49 PolarHBondContact O-N 3.36Å; D47-N49 PolarHBondContact OD1-N 3.39Å; D47-N50 HydrophobicContact CB-CB 4.05Å; D47-N50 VanDerWaalsContact O-CB 3.28Å; D47-N50 WeakPolarHBondContact O-CB 3.38Å; D47-N50 PolarHBondContact O-N 2.87Å; D47-N50 WeakPolarHBondContact OD2-CB 3.26Å; D47-N50 PolarHBondContact OD2-ND2 3.14Å
48S85.9Confident94.3Very high14 Ų1447.8 Ų47.810%0.09824%0.243CC..THydrogen-bonded Turntrans-63.3-2.7179.9-65.20000115.1Q46 V85 R88 N98Q46-S48 PolarHBondContact O-N 3.45Å; S48-V85 WeakPolarHBondContact OG-CG1 3.47Å; S48-R88 PolarHBondContact OG-NH2 3.01Å; S48-N98 WeakPolarHBondContact CB-ND2 3.44Å; S48-N98 PolarHBondContact O-ND2 3.46Å; S48-N98 PolarHBondContact O-OD1 3.06Å
49N86.9Confident94.4Very high135 Ų13546.6 Ų46.672%0.72224%0.236SC*.THydrogen-bonded Turntrans-111.910.8176.2-62.8-33.6000112.5D47D47-N49 PolarHBondContact O-N 3.36Å; D47-N49 PolarHBondContact OD1-N 3.39Å
50N91.4Very high94.5Very high43 Ų4343.4 Ų43.423%0.2321%0.214CC..  trans-76127.8-172.2-155.1-85.1000112.9V44 D47 L52 L53V44-N50 HydrophobicContact CG1-CB 4.24Å; D47-N50 HydrophobicContact CB-CB 4.05Å; D47-N50 VanDerWaalsContact O-CB 3.28Å; D47-N50 WeakPolarHBondContact O-CB 3.38Å; D47-N50 PolarHBondContact O-N 2.87Å; D47-N50 WeakPolarHBondContact OD2-CB 3.26Å; D47-N50 PolarHBondContact OD2-ND2 3.14Å; N50-L52 PolarHBondContact O-N 3.24Å; N50-L52 PolarHBondContact OD1-N 2.85Å; N50-L53 HydrophobicContact CB-CB 4.34Å; N50-L53 VanDerWaalsContact O-CB 3.26Å; N50-L53 WeakPolarHBondContact O-CB 3.39Å; N50-L53 PolarHBondContact O-N 3.19Å
51E92.8Very high94.5Very high140 Ų14045.5 Ų45.565%0.65422%0.224SC*.THydrogen-bonded Turntrans-53.8-27.9177.5-63.6175.4178.900113.8R6R6-E51 IonicContact CZ-OE2 2.73Å; R6-E51 IonicContact NH1-OE2 3.18Å; R6-E51 PolarHBondContact NH1-OE2 2.94Å; R6-E51 IonicContact NH2-OE2 2.81Å; R6-E51 PolarHBondContact NH2-OE2 3.18Å
52L94.6Very high94.5Very high13 Ų1348 Ų487%0.06824%0.235CC..THydrogen-bonded Turntrans-89.6-3.8-178.8-59.4-177.6000113.8R6 V9 E10 L13 V44 N50 P55 V56R6-L52 HydrophobicContact CG-CD1 3.84Å; V9-L52 HydrophobicContact CB-CD1 3.96Å; V9-L52 HydrophobicContact CG1-CB 4.39Å; V9-L52 HydrophobicContact CG1-CD1 3.84Å; E10-L52 HydrophobicContact CG-CD1 3.96Å; E10-L52 HydrophobicContact CG-CD2 3.92Å; L13-L52 HydrophobicContact CD1-CD2 4.33Å; V44-L52 HydrophobicContact CG1-CB 4.05Å; V44-L52 HydrophobicContact CG2-CB 4.43Å; N50-L52 PolarHBondContact O-N 3.24Å; N50-L52 PolarHBondContact OD1-N 2.85Å; L52-P55 WeakPolarHBondContact O-CD 3.38Å; L52-P55 WeakPolarHBondContact O-CG 3.46Å; L52-V56 HydrophobicContact CB-CG2 4.49Å; L52-V56 VanDerWaalsContact O-CB 3.23Å; L52-V56 WeakPolarHBondContact O-CB 3.25Å; L52-V56 WeakPolarHBondContact O-CG2 3.35Å; L52-V56 PolarHBondContact O-N 2.97Å
53L94.6Very high94.4Very high2 Ų247 Ų471%0.0123%0.231CC..Hα-helixtrans-65.5-45.5-172.9-17850.4000112.7V44 I45 N50 V56 C57 N98 I101V44-L53 HydrophobicContact CG1-CB 4.17Å; V44-L53 HydrophobicContact CG1-CD1 4.41Å; I45-L53 HydrophobicContact CG1-CD1 4.36Å; N50-L53 HydrophobicContact CB-CB 4.34Å; N50-L53 VanDerWaalsContact O-CB 3.26Å; N50-L53 WeakPolarHBondContact O-CB 3.39Å; N50-L53 PolarHBondContact O-N 3.19Å; L53-V56 PolarHBondContact O-N 3.42Å; L53-C57 WeakPolarHBondContact O-CB 3.25Å; L53-C57 PolarHBondContact O-N 3.37Å; L53-C57 PolarHBondContact O-SG 3.32Å; L53-N98 WeakPolarHBondContact CD2-OD1 3.45Å; L53-I101 HydrophobicContact CD1-CD1 4.38Å; L53-I101 HydrophobicContact CD1-CG1 4.48Å; L53-I101 HydrophobicContact CD2-CD1 4.23Å
54E95Very high94.4Very high141 Ų14143 Ų4366%0.65921%0.214SC*.Hα-helixtrans-60.4-54175.9-178.2177.9-178.500113.4V56 C57 H58 C100E54-V56 VanDerWaalsContact C-N 3.3Å; E54-V56 PolarHBondContact O-N 2.9Å; E54-C57 PolarHBondContact O-N 3.1Å; E54-H58 PolarHBondContact O-N 2.61Å; E54-C100 HydrophobicContact CB-CB 4.23Å; E54-C100 HydrophobicContact CG-CB 4.17Å
55P96.4Very high94.4Very high38 Ų3849.1 Ų49.125%0.24724%0.236CC..Hα-helixtrans-66.3-29.3178.224.7-33.7000113.2L13 L52 Q59L13-P55 HydrophobicContact CD1-CB 4.08Å; L13-P55 HydrophobicContact CD1-CG 4.15Å; L13-P55 HydrophobicContact CD2-CB 4.2Å; L13-P55 WeakPolarHBondContact CD2-O 3.33Å; L52-P55 WeakPolarHBondContact O-CD 3.38Å; L52-P55 WeakPolarHBondContact O-CG 3.46Å; P55-Q59 WeakPolarHBondContact O-CB 3.46Å; P55-Q59 PolarHBondContact O-N 3.45Å
56V97.2Very high94.3Very high0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-64.5-48.5170.1163.70000110.9V9 W12 L41 V44 L52 L53 E54 H58 Q59 L60V9-V56 HydrophobicContact CG1-CG2 3.51Å; W12-V56 HydrophobicContact CZ3-CG2 4.08Å; L41-V56 HydrophobicContact CD2-CB 4.48Å; L41-V56 HydrophobicContact CD2-CG1 3.8Å; L41-V56 HydrophobicContact CD2-CG2 3.78Å; V44-V56 HydrophobicContact CG1-CB 4.38Å; V44-V56 HydrophobicContact CG1-CG2 4.11Å; L52-V56 HydrophobicContact CB-CG2 4.49Å; L52-V56 VanDerWaalsContact O-CB 3.23Å; L52-V56 WeakPolarHBondContact O-CB 3.25Å; L52-V56 WeakPolarHBondContact O-CG2 3.35Å; L52-V56 PolarHBondContact O-N 2.97Å; L53-V56 PolarHBondContact O-N 3.42Å; E54-V56 VanDerWaalsContact C-N 3.3Å; E54-V56 PolarHBondContact O-N 2.9Å; V56-H58 PolarHBondContact O-N 2.95Å; V56-Q59 PolarHBondContact O-N 3.4Å; V56-L60 HydrophobicContact CG1-CD1 3.85Å; V56-L60 HydrophobicContact CG1-CG 4.3Å; V56-L60 WeakPolarHBondContact O-CB 3.22Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 3.41Å
57C96.9Very high94.1Very high2 Ų251.2 Ų51.21%0.01426%0.259CS..Hα-helixtrans-61-43.6177.8-78.50000112.1L53 E54 L60 F61 C100 L104L53-C57 WeakPolarHBondContact O-CB 3.25Å; L53-C57 PolarHBondContact O-N 3.37Å; L53-C57 PolarHBondContact O-SG 3.32Å; E54-C57 PolarHBondContact O-N 3.1Å; C57-L60 PolarHBondContact O-N 2.87Å; C57-F61 PolarHBondContact O-N 3.31Å; C57-C100 HydrophobicContact CB-CB 4.12Å; C57-L104 HydrophobicContact CB-CB 4.33Å; C57-L104 HydrophobicContact CB-CD2 4.13Å
58H96.7Very high94.2Very high117 Ų11749.5 Ų49.554%0.54225%0.249SC..Hα-helixtrans-62.7-44.4176.2-178.166.5000112.1E54 V56 F61 E62E54-H58 PolarHBondContact O-N 2.61Å; V56-H58 PolarHBondContact O-N 2.95Å; H58-F61 WeakPolarHBondContact O-CB 3.38Å; H58-F61 PolarHBondContact O-N 2.84Å; H58-E62 PolarHBondContact O-N 3.43Å
59Q97.1Very high94.6Very high5 Ų552.6 Ų52.62%0.02327%0.267CS..Hα-helixtrans-67.5-37177.4-175155.6-56.300112.6W12 L13 F16 P55 V56 F61 E62 L63W12-Q59 VanDerWaalsContact CD2-NE2 3.26Å; W12-Q59 HydrophobicContact CH2-CB 3.98Å; W12-Q59 HydrophobicContact CH2-CG 3.72Å; W12-Q59 HydrophobicContact CZ2-CG 4.02Å; W12-Q59 HydrophobicContact CZ3-CB 4.21Å; W12-Q59 HydrophobicContact CZ3-CG 4.13Å; W12-Q59 PolarHBondContact O-NE2 3.18Å; L13-Q59 HydrophobicContact CD2-CB 3.95Å; L13-Q59 HydrophobicContact CD2-CG 4.45Å; L13-Q59 PolarHBondContact O-OE1 3.04Å; F16-Q59 HydrophobicContact CB-CG 4.45Å; F16-Q59 HydrophobicContact CD1-CG 3.64Å; F16-Q59 HydrophobicContact CE1-CG 4.23Å; F16-Q59 HydrophobicContact CG-CG 4.24Å; P55-Q59 WeakPolarHBondContact O-CB 3.46Å; P55-Q59 PolarHBondContact O-N 3.45Å; V56-Q59 PolarHBondContact O-N 3.4Å; Q59-F61 VanDerWaalsContact C-N 3.27Å; Q59-F61 PolarHBondContact O-N 3.38Å; Q59-E62 PolarHBondContact O-N 3.46Å; Q59-L63 HydrophobicContact CG-CD1 4.18Å; Q59-L63 HydrophobicContact CG-CG 4.35Å; Q59-L63 WeakPolarHBondContact O-CB 3.42Å; Q59-L63 WeakPolarHBondContact O-CG 3.38Å; Q59-L63 PolarHBondContact O-N 3.36Å
60L97.6Very high95Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-62.9-32.8173.2-74175000112.5W12 I45 V56 C57 Y64 F74 T75 F78 L104W12-L60 HydrophobicContact CH2-CD2 4.26Å; W12-L60 HydrophobicContact CH2-CG 4.35Å; I45-L60 HydrophobicContact CD1-CD1 4.3Å; V56-L60 HydrophobicContact CG1-CD1 3.85Å; V56-L60 HydrophobicContact CG1-CG 4.3Å; V56-L60 WeakPolarHBondContact O-CB 3.22Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 3.41Å; C57-L60 PolarHBondContact O-N 2.87Å; L60-Y64 PolarHBondContact O-N 3.49Å; L60-F74 HydrophobicContact CD2-CD1 4.34Å; L60-F74 HydrophobicContact CD2-CE1 4.11Å; L60-T75 HydrophobicContact CB-CG2 4.1Å; L60-T75 HydrophobicContact CD2-CG2 4.47Å; L60-T75 PolarHBondContact O-OG1 3.44Å; L60-F78 HydrophobicContact CD1-CD2 4.39Å; L60-F78 HydrophobicContact CD2-CD2 4.07Å; L60-F78 HydrophobicContact CD2-CE2 4.17Å; L60-L104 HydrophobicContact CB-CD1 4.13Å; L60-L104 HydrophobicContact CB-CD2 4.11Å; L60-L104 HydrophobicContact CD1-CD2 4.25Å
61F97.4Very high95.2Very high46 Ų4650.6 Ų50.620%0.20225%0.246CC..Hα-helixtrans-69.3-49.6173174.5-104.6000111.9C57 H58 Q59 L63 Y64 R65 L104 L111C57-F61 PolarHBondContact O-N 3.31Å; H58-F61 WeakPolarHBondContact O-CB 3.38Å; H58-F61 PolarHBondContact O-N 2.84Å; Q59-F61 VanDerWaalsContact C-N 3.27Å; Q59-F61 PolarHBondContact O-N 3.38Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.44Å; F61-Y64 CarbonylContact O-C 3.48Å; F61-Y64 WeakPolarHBondContact O-CA 3.28Å; F61-Y64 VanDerWaalsContact O-CB 3.26Å; F61-Y64 WeakPolarHBondContact O-CB 3.41Å; F61-Y64 PolarHBondContact O-N 2.95Å; F61-R65 WeakPolarHBondContact O-CB 3.32Å; F61-R65 PolarHBondContact O-N 2.91Å; F61-L104 HydrophobicContact CB-CD1 3.75Å; F61-L111 HydrophobicContact CD2-CD1 4.36Å; F61-L111 HydrophobicContact CE2-CD1 3.58Å; F61-L111 HydrophobicContact CE2-CG 4.42Å; F61-L111 HydrophobicContact CZ-CD1 4.07Å
62E96.1Very high95.4Very high51 Ų5145.8 Ų45.824%0.23822%0.223CC..Hα-helixtrans-64.8-36179.5-70.1-59.6139.600112.3F16 H58 Q59 Y64 R65 S66F16-E62 HydrophobicContact CE1-CB 4.12Å; H58-E62 PolarHBondContact O-N 3.43Å; Q59-E62 PolarHBondContact O-N 3.46Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.32Å; E62-R65 PolarHBondContact O-N 2.97Å; E62-R65 WeakPolarHBondContact OE1-CD 3.26Å; E62-R65 IonicContact OE1-CZ 2.76Å; E62-R65 IonicContact OE1-NH1 3.47Å; E62-R65 PolarHBondContact OE1-NH1 3.05Å; E62-R65 VanDerWaalsContact OE2-CD 3.25Å; E62-R65 WeakPolarHBondContact OE2-CD 3.47Å; E62-R65 IonicContact OE2-NH1 2.77Å; E62-R65 PolarHBondContact OE2-NH1 3.39Å; E62-S66 PolarHBondContact O-N 3.46Å
63L95.8Very high95.4Very high0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-59.8-37.3168.8-71.5173.4000112.3W12 F16 Y27 Q59 F61 S66 L71 F74W12-L63 HydrophobicContact CH2-CD1 4.31Å; W12-L63 HydrophobicContact CZ2-CD1 3.54Å; F16-L63 HydrophobicContact CD2-CD2 3.72Å; F16-L63 HydrophobicContact CE1-CD2 4.25Å; F16-L63 HydrophobicContact CE1-CG 4.4Å; F16-L63 HydrophobicContact CE2-CD2 3.34Å; F16-L63 HydrophobicContact CE2-CG 4.32Å; F16-L63 HydrophobicContact CG-CD2 4.33Å; F16-L63 HydrophobicContact CZ-CD2 3.64Å; F16-L63 HydrophobicContact CZ-CG 4.18Å; Y27-L63 HydrophobicContact CE1-CD2 3.91Å; Q59-L63 HydrophobicContact CG-CD1 4.18Å; Q59-L63 HydrophobicContact CG-CG 4.35Å; Q59-L63 WeakPolarHBondContact O-CB 3.42Å; Q59-L63 WeakPolarHBondContact O-CG 3.38Å; Q59-L63 PolarHBondContact O-N 3.36Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.44Å; L63-S66 PolarHBondContact O-OG 3.38Å; L63-L71 HydrophobicContact CB-CB 4.33Å; L63-L71 HydrophobicContact CD2-CD1 3.78Å; L63-L71 HydrophobicContact CD2-CD2 4.06Å; L63-L71 HydrophobicContact CD2-CG 4.34Å; L63-L71 VanDerWaalsContact O-CB 3.26Å; L63-L71 WeakPolarHBondContact O-CB 3.44Å; L63-F74 HydrophobicContact CD1-CD1 4.32Å; L63-F74 HydrophobicContact CD1-CE1 4.42Å
64Y96.1Very high95.5Very high3 Ų350 Ų501%0.01224%0.239CC..Hα-helixtrans-70.1-43.4175.1-157.2-88.5000112.5L60 F61 E62 S66 S67 K72 T75 L76 I108 L111 E112L60-Y64 PolarHBondContact O-N 3.49Å; F61-Y64 CarbonylContact O-C 3.48Å; F61-Y64 WeakPolarHBondContact O-CA 3.28Å; F61-Y64 VanDerWaalsContact O-CB 3.26Å; F61-Y64 WeakPolarHBondContact O-CB 3.41Å; F61-Y64 PolarHBondContact O-N 2.95Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.32Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 2.86Å; Y64-S67 PolarHBondContact O-N 3.06Å; Y64-K72 HydrophobicContact CD1-CD 4.22Å; Y64-K72 HydrophobicContact CD1-CG 4.11Å; Y64-K72 HydrophobicContact CD2-CB 4.06Å; Y64-K72 HydrophobicContact CD2-CG 3.86Å; Y64-K72 HydrophobicContact CE1-CD 3.77Å; Y64-K72 HydrophobicContact CE1-CG 4.06Å; Y64-K72 HydrophobicContact CE2-CB 3.8Å; Y64-K72 HydrophobicContact CE2-CD 4.17Å; Y64-K72 HydrophobicContact CE2-CG 3.8Å; Y64-K72 HydrophobicContact CG-CG 4Å; Y64-K72 VanDerWaalsContact O-CE 3.25Å; Y64-K72 WeakPolarHBondContact O-CE 3.47Å; Y64-K72 WeakPolarHBondContact O-CG 3.32Å; Y64-T75 HydrophobicContact CD2-CG2 3.97Å; Y64-L76 HydrophobicContact CE2-CD1 4.48Å; Y64-L76 HydrophobicContact CE2-CD2 4.26Å; Y64-L76 HydrophobicContact CE2-CG 4Å; Y64-I108 HydrophobicContact CD1-CG1 4.19Å; Y64-I108 HydrophobicContact CD1-CG2 4.4Å; Y64-I108 HydrophobicContact CD2-CD1 4.43Å; Y64-I108 HydrophobicContact CD2-CG1 4.13Å; Y64-I108 HydrophobicContact CD2-CG2 4.47Å; Y64-I108 HydrophobicContact CE1-CG2 3.9Å; Y64-I108 HydrophobicContact CE2-CG1 4.47Å; Y64-I108 HydrophobicContact CE2-CG2 4Å; Y64-I108 HydrophobicContact CG-CG1 3.99Å; Y64-L111 HydrophobicContact CD1-CB 4.34Å; Y64-L111 HydrophobicContact CD1-CD1 4Å; Y64-L111 HydrophobicContact CE1-CB 4.32Å; Y64-E112 HydrophobicContact CE1-CG 3.97Å; Y64-E112 WeakPolarHBondContact OH-CG 3.16Å; Y64-E112 PolarHBondContact OH-OE1 3.24Å; Y64-E112 VanDerWaalsContact OH-OE1 3.12Å
65R94.9Very high95.6Very high136 Ų13643.3 Ų43.351%0.51321%0.207SC..Hα-helixtrans-62.9-33.1-178.7-168.7-173-176.1-178.9-3.4112.8F61 E62 S67 L111F61-R65 WeakPolarHBondContact O-CB 3.32Å; F61-R65 PolarHBondContact O-N 2.91Å; E62-R65 PolarHBondContact O-N 2.97Å; E62-R65 WeakPolarHBondContact OE1-CD 3.26Å; E62-R65 IonicContact OE1-CZ 2.76Å; E62-R65 IonicContact OE1-NH1 3.47Å; E62-R65 PolarHBondContact OE1-NH1 3.05Å; E62-R65 VanDerWaalsContact OE2-CD 3.25Å; E62-R65 WeakPolarHBondContact OE2-CD 3.47Å; E62-R65 IonicContact OE2-NH1 2.77Å; E62-R65 PolarHBondContact OE2-NH1 3.39Å; R65-S67 PolarHBondContact O-N 3.39Å; R65-S67 PolarHBondContact O-OG 3.02Å; R65-L111 HydrophobicContact CB-CD1 4.16Å; R65-L111 HydrophobicContact CG-CD1 4.39Å
66S92.8Very high95.7Very high39 Ų3941.9 Ų41.927%0.27320%0.198SC..THydrogen-bonded Turntrans-53-17.2174.677.70000114.8E62 L63 Y64 E68E62-S66 PolarHBondContact O-N 3.46Å; L63-S66 PolarHBondContact O-OG 3.38Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 2.86Å; S66-E68 PolarHBondContact O-N 2.93Å
67S88.8Confident95.7Very high81 Ų8142.3 Ų42.357%0.56620%0.2SC*.  trans62.9-0179.2-59.80000115.9Y64 R65 V69Y64-S67 PolarHBondContact O-N 3.06Å; R65-S67 PolarHBondContact O-N 3.39Å; R65-S67 PolarHBondContact O-OG 3.02Å; S67-V69 PolarHBondContact O-N 3.34Å
68E93.8Very high95.7Very high34 Ų3442.2 Ų42.216%0.15920%0.199CC..  trans-63117.9167.5169.955.1-110.700109.7I24 T25 A28 S66 R70 L71 K72I24-E68 HydrophobicContact CG2-CB 4.31Å; T25-E68 WeakPolarHBondContact CB-OE2 3.35Å; T25-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T25-E68 PolarHBondContact OG1-OE2 2.96Å; A28-E68 HydrophobicContact CB-CG 3.58Å; S66-E68 PolarHBondContact O-N 2.93Å; E68-R70 HydrophobicContact CG-CB 4.22Å; E68-R70 PolarHBondContact O-N 3.06Å; E68-R70 VanDerWaalsContact O-N 3.14Å; E68-R70 WeakPolarHBondContact OE1-CG 3.46Å; E68-R70 PolarHBondContact OE1-N 2.86Å; E68-R70 VanDerWaalsContact OE1-N 3.15Å; E68-L71 HydrophobicContact CB-CB 4.32Å; E68-L71 HydrophobicContact CB-CD1 4.1Å; E68-L71 HydrophobicContact CB-CG 4.14Å; E68-L71 HydrophobicContact CG-CB 4.33Å; E68-L71 HydrophobicContact CG-CD1 4.1Å; E68-L71 HydrophobicContact CG-CG 3.82Å; E68-L71 PolarHBondContact O-N 3.05Å; E68-K72 PolarHBondContact O-N 3.2Å
69V94.3Very high95.8Very high79 Ų7936.6 Ų36.648%0.47917%0.173SC..Hα-helixtrans-58.9-33.2-171.6175.90000111.9S67 R73S67-V69 PolarHBondContact O-N 3.34Å; V69-R73 WeakPolarHBondContact O-CB 3.33Å; V69-R73 WeakPolarHBondContact O-CD 3.48Å; V69-R73 VanDerWaalsContact O-CG 3.25Å; V69-R73 WeakPolarHBondContact O-CG 3.33Å; V69-R73 PolarHBondContact O-N 3.33Å; V69-R73 VanDerWaalsContact O-N 3.13Å
70R94.8Very high95.9Very high135 Ų13536.4 Ų36.451%0.50917%0.172SC..Hα-helixtrans-65.6-37.4175.5-63.8174.4-170.6-147.61.4112.4A28 E68 F74A28-R70 HydrophobicContact CB-CB 3.99Å; E68-R70 HydrophobicContact CG-CB 4.22Å; E68-R70 PolarHBondContact O-N 3.06Å; E68-R70 VanDerWaalsContact O-N 3.14Å; E68-R70 WeakPolarHBondContact OE1-CG 3.46Å; E68-R70 PolarHBondContact OE1-N 2.86Å; E68-R70 VanDerWaalsContact OE1-N 3.15Å; R70-F74 PolarHBondContact O-N 2.76Å
71L95.7Very high95.9Very high1 Ų136.5 Ų36.51%0.00517%0.173CC..Hα-helixtrans-79.1-40.3-178.9-61.7-177.9000111.6I24 Y27 A28 L31 L63 E68 R73 F74 T75I24-L71 HydrophobicContact CG2-CD1 3.61Å; Y27-L71 HydrophobicContact CD1-CD2 4.36Å; Y27-L71 HydrophobicContact CE1-CD2 4.48Å; A28-L71 HydrophobicContact CB-CD1 4.08Å; A28-L71 HydrophobicContact CB-CD2 3.63Å; A28-L71 HydrophobicContact CB-CG 3.63Å; L31-L71 HydrophobicContact CD2-CD2 3.75Å; L63-L71 HydrophobicContact CB-CB 4.33Å; L63-L71 HydrophobicContact CD2-CD1 3.78Å; L63-L71 HydrophobicContact CD2-CD2 4.06Å; L63-L71 HydrophobicContact CD2-CG 4.34Å; L63-L71 VanDerWaalsContact O-CB 3.26Å; L63-L71 WeakPolarHBondContact O-CB 3.44Å; E68-L71 HydrophobicContact CB-CB 4.32Å; E68-L71 HydrophobicContact CB-CD1 4.1Å; E68-L71 HydrophobicContact CB-CG 4.14Å; E68-L71 HydrophobicContact CG-CB 4.33Å; E68-L71 HydrophobicContact CG-CD1 4.1Å; E68-L71 HydrophobicContact CG-CG 3.82Å; E68-L71 PolarHBondContact O-N 3.05Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 3.37Å; L71-F74 PolarHBondContact O-N 2.67Å; L71-F74 VanDerWaalsContact O-N 3.1Å; L71-T75 PolarHBondContact O-N 3.31Å
72K96.1Very high95.9Very high39 Ų3934.3 Ų34.317%0.1716%0.163CC..Hα-helixtrans-53.1-45.7168-77.1-163166.2-166.70111.7Y64 E68 T75 L76 E112Y64-K72 HydrophobicContact CD1-CD 4.22Å; Y64-K72 HydrophobicContact CD1-CG 4.11Å; Y64-K72 HydrophobicContact CD2-CB 4.06Å; Y64-K72 HydrophobicContact CD2-CG 3.86Å; Y64-K72 HydrophobicContact CE1-CD 3.77Å; Y64-K72 HydrophobicContact CE1-CG 4.06Å; Y64-K72 HydrophobicContact CE2-CB 3.8Å; Y64-K72 HydrophobicContact CE2-CD 4.17Å; Y64-K72 HydrophobicContact CE2-CG 3.8Å; Y64-K72 HydrophobicContact CG-CG 4Å; Y64-K72 VanDerWaalsContact O-CE 3.25Å; Y64-K72 WeakPolarHBondContact O-CE 3.47Å; Y64-K72 WeakPolarHBondContact O-CG 3.32Å; E68-K72 PolarHBondContact O-N 3.2Å; K72-T75 PolarHBondContact O-N 3.37Å; K72-L76 WeakPolarHBondContact O-CG 3.42Å; K72-L76 PolarHBondContact O-N 2.76Å; K72-E112 IonicContact NZ-OE1 2.63Å; K72-E112 PolarHBondContact NZ-OE1 3.03Å
73R95.9Very high95.9Very high79 Ų7931.9 Ų31.930%0.29815%0.152SC..Hα-helixtrans-64.6-40.6175.2-70.6167.9-175.5-175.93.4113V69 L71 T75 L76 Q77 Y194V69-R73 WeakPolarHBondContact O-CB 3.33Å; V69-R73 WeakPolarHBondContact O-CD 3.48Å; V69-R73 VanDerWaalsContact O-CG 3.25Å; V69-R73 WeakPolarHBondContact O-CG 3.33Å; V69-R73 PolarHBondContact O-N 3.33Å; V69-R73 VanDerWaalsContact O-N 3.13Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 3.37Å; R73-T75 VanDerWaalsContact C-N 3.28Å; R73-T75 PolarHBondContact O-N 3.09Å; R73-L76 PolarHBondContact O-N 3.38Å; R73-Q77 PolarHBondContact O-N 2.99Å; R73-Y194 VanDerWaalsContact CZ-CE2 3.45Å; R73-Y194 VanDerWaalsContact CZ-CG 3.47Å
74F96.5Very high95.9Very high23 Ų2332.9 Ų32.910%0.10116%0.155CC..Hα-helixtrans-62.9-31.4176.1179.2-89.6000113.2W12 L31 L37 V38 L41 L60 L63 R70 L71 Q77 F78W12-F74 AromaticContact CZ2-CE1 3.99Å; W12-F74 HydrophobicContact CZ2-CE1 3.99Å; L31-F74 HydrophobicContact CD1-CE2 4.15Å; L31-F74 HydrophobicContact CD1-CZ 4.16Å; L31-F74 HydrophobicContact CD2-CB 4.15Å; L31-F74 HydrophobicContact CD2-CD1 3.72Å; L31-F74 HydrophobicContact CD2-CD2 3.55Å; L31-F74 HydrophobicContact CD2-CE1 3.97Å; L31-F74 HydrophobicContact CD2-CE2 3.79Å; L31-F74 HydrophobicContact CD2-CG 3.51Å; L31-F74 HydrophobicContact CD2-CZ 4Å; L31-F74 HydrophobicContact CG-CD2 3.85Å; L31-F74 HydrophobicContact CG-CE2 3.76Å; L31-F74 HydrophobicContact CG-CG 4.33Å; L31-F74 HydrophobicContact CG-CZ 4.18Å; L37-F74 HydrophobicContact CD2-CE2 4.48Å; L37-F74 HydrophobicContact CD2-CZ 3.92Å; V38-F74 HydrophobicContact CG2-CE2 3.86Å; V38-F74 HydrophobicContact CG2-CZ 4.45Å; L41-F74 HydrophobicContact CD1-CE1 4.07Å; L41-F74 HydrophobicContact CD1-CZ 3.76Å; L60-F74 HydrophobicContact CD2-CD1 4.34Å; L60-F74 HydrophobicContact CD2-CE1 4.11Å; L63-F74 HydrophobicContact CD1-CD1 4.32Å; L63-F74 HydrophobicContact CD1-CE1 4.42Å; R70-F74 PolarHBondContact O-N 2.76Å; L71-F74 PolarHBondContact O-N 2.67Å; L71-F74 VanDerWaalsContact O-N 3.1Å; F74-Q77 VanDerWaalsContact CD2-NE2 3.29Å; F74-Q77 WeakPolarHBondContact O-CG 3.46Å; F74-Q77 PolarHBondContact O-NE2 3.49Å; F74-F78 HydrophobicContact CD1-CE2 4.34Å; F74-F78 AromaticContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CZ-CE2 4.04Å; F74-F78 HydrophobicContact CZ-CZ 4.32Å; F74-F78 VanDerWaalsContact O-CD2 3.31Å; F74-F78 WeakPolarHBondContact O-CD2 3.49Å; F74-F78 VanDerWaalsContact O-CE2 3.24Å; F74-F78 WeakPolarHBondContact O-CE2 3.44Å
75T97.4Very high95.8Very high1 Ų132.7 Ų32.71%0.00616%0.155CC..Hα-helixtrans-78.3-43.7171.7-66.70000111.6L60 Y64 L71 K72 R73 Q77 F78 I108L60-T75 HydrophobicContact CB-CG2 4.1Å; L60-T75 HydrophobicContact CD2-CG2 4.47Å; L60-T75 PolarHBondContact O-OG1 3.44Å; Y64-T75 HydrophobicContact CD2-CG2 3.97Å; L71-T75 PolarHBondContact O-N 3.31Å; K72-T75 PolarHBondContact O-N 3.37Å; R73-T75 VanDerWaalsContact C-N 3.28Å; R73-T75 PolarHBondContact O-N 3.09Å; T75-Q77 VanDerWaalsContact C-N 3.28Å; T75-Q77 PolarHBondContact O-N 3.36Å; T75-F78 PolarHBondContact O-N 2.98Å; T75-F78 VanDerWaalsContact O-N 3.11Å; T75-I108 HydrophobicContact CG2-CD1 3.79Å
76L97.6Very high95.8Very high8 Ų826.7 Ų26.74%0.04213%0.132CC..Hα-helixtrans-59-31.9-178.3-77.9171.5000114.4Y64 K72 R73 F78 L79 Y188 A191 M195Y64-L76 HydrophobicContact CE2-CD1 4.48Å; Y64-L76 HydrophobicContact CE2-CD2 4.26Å; Y64-L76 HydrophobicContact CE2-CG 4Å; K72-L76 WeakPolarHBondContact O-CG 3.42Å; K72-L76 PolarHBondContact O-N 2.76Å; R73-L76 PolarHBondContact O-N 3.38Å; L76-F78 PolarHBondContact O-N 3.07Å; L76-F78 VanDerWaalsContact O-N 3.13Å; L76-L79 HydrophobicContact CD2-CD2 4.3Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.09Å; L76-Y188 WeakPolarHBondContact O-CD2 3.42Å; L76-A191 HydrophobicContact CD1-CB 3.96Å; L76-M195 HydrophobicContact CB-CE 3.55Å; L76-M195 HydrophobicContact CB-SD 4.19Å; L76-M195 HydrophobicContact CD1-CE 4.09Å; L76-M195 HydrophobicContact CG-CE 4.47Å
77Q97.3Very high95.9Very high9 Ų924.9 Ų24.94%0.04212%0.12CC..THydrogen-bonded Turntrans-57.2-28.6177.150.6158.9-10.500113.4Y42 R73 F74 T75 M195 P196 S199Y42-Q77 PolarHBondContact OH-O 3.06Å; R73-Q77 PolarHBondContact O-N 2.99Å; F74-Q77 VanDerWaalsContact CD2-NE2 3.29Å; F74-Q77 WeakPolarHBondContact O-CG 3.46Å; F74-Q77 PolarHBondContact O-NE2 3.49Å; T75-Q77 VanDerWaalsContact C-N 3.28Å; T75-Q77 PolarHBondContact O-N 3.36Å; Q77-M195 HydrophobicContact CB-SD 3.99Å; Q77-P196 HydrophobicContact CB-CG 4.17Å; Q77-P196 VanDerWaalsContact OE1-CG 3.26Å; Q77-S199 WeakPolarHBondContact CA-OG 3.27Å; Q77-S199 WeakPolarHBondContact O-CB 3.21Å; Q77-S199 PolarHBondContact O-OG 2.83Å
78F98.1Very high96Very high0 Ų023.1 Ų23.10%010%0.1CC..THydrogen-bonded Turntrans-87.1-9.2178.8-58.8-70000113.6V38 L41 Y42 I45 L60 F74 T75 L76 P80 E81 L82V38-F78 HydrophobicContact CB-CZ 4.44Å; V38-F78 HydrophobicContact CG1-CE1 4.01Å; V38-F78 HydrophobicContact CG1-CZ 4.1Å; V38-F78 HydrophobicContact CG2-CZ 4.27Å; L41-F78 HydrophobicContact CB-CE1 3.75Å; L41-F78 HydrophobicContact CB-CZ 3.71Å; L41-F78 HydrophobicContact CD1-CE1 4.5Å; L41-F78 HydrophobicContact CD1-CE2 3.93Å; L41-F78 HydrophobicContact CD1-CZ 3.61Å; L41-F78 HydrophobicContact CG-CZ 4.32Å; Y42-F78 HydrophobicContact CD1-CD1 4.23Å; Y42-F78 AromaticContact CD2-CD1 3.99Å; Y42-F78 HydrophobicContact CD2-CD1 3.99Å; Y42-F78 AromaticContact CD2-CE1 3.67Å; Y42-F78 HydrophobicContact CD2-CE1 3.67Å; Y42-F78 HydrophobicContact CE1-CD1 4.05Å; Y42-F78 AromaticContact CE2-CD1 3.77Å; Y42-F78 HydrophobicContact CE2-CD1 3.77Å; Y42-F78 AromaticContact CE2-CE1 3.65Å; Y42-F78 HydrophobicContact CE2-CE1 3.65Å; Y42-F78 HydrophobicContact CG-CD1 4.2Å; Y42-F78 HydrophobicContact CG-CE1 4.19Å; Y42-F78 AromaticContact CZ-CD1 3.81Å; I45-F78 HydrophobicContact CD1-CB 3.88Å; I45-F78 HydrophobicContact CD1-CD1 3.97Å; I45-F78 HydrophobicContact CD1-CG 3.98Å; L60-F78 HydrophobicContact CD1-CD2 4.39Å; L60-F78 HydrophobicContact CD2-CD2 4.07Å; L60-F78 HydrophobicContact CD2-CE2 4.17Å; F74-F78 HydrophobicContact CD1-CE2 4.34Å; F74-F78 AromaticContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CZ-CE2 4.04Å; F74-F78 HydrophobicContact CZ-CZ 4.32Å; F74-F78 VanDerWaalsContact O-CD2 3.31Å; F74-F78 WeakPolarHBondContact O-CD2 3.49Å; F74-F78 VanDerWaalsContact O-CE2 3.24Å; F74-F78 WeakPolarHBondContact O-CE2 3.44Å; T75-F78 PolarHBondContact O-N 2.98Å; T75-F78 VanDerWaalsContact O-N 3.11Å; L76-F78 PolarHBondContact O-N 3.07Å; L76-F78 VanDerWaalsContact O-N 3.13Å; F78-P80 VanDerWaalsContact C-CD 3.49Å; F78-E81 PolarHBondContact O-N 3.36Å; F78-E81 VanDerWaalsContact O-N 3.14Å; F78-L82 HydrophobicContact CB-CD1 4.2Å; F78-L82 PolarHBondContact O-N 2.57Å; F78-L82 VanDerWaalsContact O-N 3.08Å
79L98.2Very high95.8Very high0 Ų022.7 Ų22.70%010%0.099CC..Hα-helixtrans-53.3-44.4-173.9-16982.3000113.1L76 E81 L82 M83 L105 L184 Y188L76-L79 HydrophobicContact CD2-CD2 4.3Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.09Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 3.07Å; L79-M83 HydrophobicContact CD1-SD 4.42Å; L79-M83 HydrophobicContact CD2-SD 3.81Å; L79-M83 HydrophobicContact CG-CG 4.16Å; L79-M83 HydrophobicContact CG-SD 3.66Å; L79-M83 WeakPolarHBondContact O-CB 3.39Å; L79-M83 WeakPolarHBondContact O-CG 3.16Å; L79-M83 PolarHBondContact O-N 3.33Å; L79-L105 HydrophobicContact CD1-CD2 3.62Å; L79-L184 HydrophobicContact CD2-CB 4.19Å; L79-L184 VanDerWaalsContact CD2-O 3.32Å; L79-L184 WeakPolarHBondContact CD2-O 3.38Å; L79-Y188 HydrophobicContact CB-CD2 4.33Å; L79-Y188 HydrophobicContact CD2-CD2 4.39Å; L79-Y188 HydrophobicContact CD2-CG 4.49Å
80P98.3Very high95.5Very high0 Ų021.4 Ų21.40%09%0.092CC..Hα-helixtrans-64.9-33.3-179-20.233.2000113.8F78 W84 Y188 L203 M206F78-P80 VanDerWaalsContact C-CD 3.49Å; P80-W84 WeakPolarHBondContact O-CB 3.27Å; P80-W84 PolarHBondContact O-N 3.47Å; P80-Y188 HydrophobicContact CG-CD2 4.34Å; P80-Y188 HydrophobicContact CG-CE2 3.84Å; P80-L203 HydrophobicContact CB-CB 4.21Å; P80-L203 HydrophobicContact CB-CD1 4.34Å; P80-L203 HydrophobicContact CG-CB 4.06Å; P80-L203 HydrophobicContact CG-CD1 4.18Å; P80-M206 HydrophobicContact CB-CB 4.32Å; P80-M206 HydrophobicContact CB-CE 4.32Å; P80-M206 HydrophobicContact CB-SD 3.97Å
81E97.7Very high95.2Very high2 Ų217.4 Ų17.41%0.0098%0.082CC..Hα-helixtrans-74.5-38.3175.6-149.575.6-152.400111.2Y42 I45 Q46 F78 L79 M83 W84 V85 S202 R209Y42-E81 HydrophobicContact CD1-CB 4.22Å; Y42-E81 HydrophobicContact CD1-CG 4.29Å; Y42-E81 HydrophobicContact CE1-CB 4.1Å; I45-E81 HydrophobicContact CG2-CB 4.09Å; I45-E81 HydrophobicContact CG2-CG 4.14Å; Q46-E81 HydrophobicContact CG-CG 3.7Å; Q46-E81 WeakPolarHBondContact CG-OE1 3.35Å; Q46-E81 PolarHBondContact NE2-OE1 3.28Å; F78-E81 PolarHBondContact O-N 3.36Å; F78-E81 VanDerWaalsContact O-N 3.14Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.46Å; E81-M83 VanDerWaalsContact C-N 3.33Å; E81-M83 PolarHBondContact O-N 3.22Å; E81-W84 PolarHBondContact O-N 3.37Å; E81-V85 WeakPolarHBondContact O-CB 3.31Å; E81-V85 VanDerWaalsContact O-CG2 3.25Å; E81-V85 WeakPolarHBondContact O-CG2 3.47Å; E81-V85 PolarHBondContact O-N 2.62Å; E81-S202 WeakPolarHBondContact CB-OG 3.34Å; E81-S202 PolarHBondContact N-OG 3.28Å; E81-S202 WeakPolarHBondContact OE2-CB 3.15Å; E81-S202 PolarHBondContact OE2-OG 3.02Å; E81-R209 IonicContact OE1-CZ 3.41Å; E81-R209 IonicContact OE1-NH1 2.72Å; E81-R209 PolarHBondContact OE1-NH1 3.25Å; E81-R209 IonicContact OE1-NH2 2.75Å
82L97.4Very high94.5Very high1 Ų119.8 Ų19.81%0.00510%0.099CC..Hα-helixtrans-60.2-43.2173.6-70.1165.2000111.3I45 F78 L79 V85 Y86 I101 L104 L105I45-L82 HydrophobicContact CD1-CD2 4.17Å; I45-L82 HydrophobicContact CD1-CG 4.35Å; I45-L82 HydrophobicContact CG1-CD2 4.19Å; I45-L82 HydrophobicContact CG2-CD2 3.85Å; I45-L82 HydrophobicContact CG2-CG 4.19Å; F78-L82 HydrophobicContact CB-CD1 4.2Å; F78-L82 PolarHBondContact O-N 2.57Å; F78-L82 VanDerWaalsContact O-N 3.08Å; L79-L82 PolarHBondContact O-N 3.07Å; L82-V85 PolarHBondContact O-N 3.21Å; L82-Y86 WeakPolarHBondContact O-CB 3.29Å; L82-Y86 PolarHBondContact O-N 2.64Å; L82-I101 HydrophobicContact CB-CG2 4.43Å; L82-I101 HydrophobicContact CD2-CG1 4.2Å; L82-I101 HydrophobicContact CD2-CG2 4.23Å; L82-L104 HydrophobicContact CD1-CD2 3.61Å; L82-L104 HydrophobicContact CD1-CG 4.5Å; L82-L104 HydrophobicContact CD2-CD2 4.01Å; L82-L104 HydrophobicContact CG-CD2 4.48Å; L82-L105 HydrophobicContact CB-CD2 4.13Å
83M96.9Very high93.2Very high0 Ų030 Ų300%014%0.136CC..Hα-helixtrans-69.2-38.9177.1-66174.599.600112.3L79 E81 L87 L105 L181 L184 M185 M206 F236L79-M83 HydrophobicContact CD1-SD 4.42Å; L79-M83 HydrophobicContact CD2-SD 3.81Å; L79-M83 HydrophobicContact CG-CG 4.16Å; L79-M83 HydrophobicContact CG-SD 3.66Å; L79-M83 WeakPolarHBondContact O-CB 3.39Å; L79-M83 WeakPolarHBondContact O-CG 3.16Å; L79-M83 PolarHBondContact O-N 3.33Å; E81-M83 VanDerWaalsContact C-N 3.33Å; E81-M83 PolarHBondContact O-N 3.22Å; M83-L87 WeakPolarHBondContact O-CB 3.3Å; M83-L87 WeakPolarHBondContact O-CG 3.44Å; M83-L87 PolarHBondContact O-N 2.7Å; M83-L105 HydrophobicContact CG-CD2 4.03Å; M83-L181 HydrophobicContact CE-CB 3.59Å; M83-L181 HydrophobicContact CE-CD2 3.37Å; M83-L181 HydrophobicContact CE-CG 4.01Å; M83-L181 WeakPolarHBondContact CE-O 3.47Å; M83-L181 HydrophobicContact CG-CD2 4.02Å; M83-L184 HydrophobicContact CE-CB 4.03Å; M83-M185 HydrophobicContact CE-CG 3.88Å; M83-M185 HydrophobicContact SD-CG 4.11Å; M83-M185 HydrophobicContact SD-SD 3.97Å; M83-M206 HydrophobicContact CB-SD 3.79Å; M83-F236 HydrophobicContact CE-CE2 3.86Å
84W95.7Very high91.8Very high20 Ų2030.1 Ų30.18%0.07614%0.143CC..Hα-helixtrans-57.8-50.5170165.2-116.6000111.4P80 E81 L87 R88 M206 R209 V210 C227 I230P80-W84 WeakPolarHBondContact O-CB 3.27Å; P80-W84 PolarHBondContact O-N 3.47Å; E81-W84 PolarHBondContact O-N 3.37Å; W84-L87 PolarHBondContact O-N 2.76Å; W84-R88 HydrophobicContact CH2-CB 4.18Å; W84-R88 HydrophobicContact CZ2-CB 4.01Å; W84-R88 HydrophobicContact CZ2-CG 4.23Å; W84-R88 WeakPolarHBondContact O-CB 3.4Å; W84-R88 PolarHBondContact O-N 2.76Å; W84-M206 HydrophobicContact CB-CB 4.2Å; W84-M206 HydrophobicContact CB-CG 3.97Å; W84-R209 HydrophobicContact CD2-CB 4.12Å; W84-R209 HydrophobicContact CE3-CB 3.67Å; W84-R209 HydrophobicContact CH2-CB 3.77Å; W84-R209 HydrophobicContact CH2-CG 4.4Å; W84-R209 HydrophobicContact CZ2-CB 4.19Å; W84-R209 HydrophobicContact CZ2-CG 4.38Å; W84-R209 HydrophobicContact CZ3-CB 3.49Å; W84-R209 VanDerWaalsContact CZ3-CB 3.49Å; W84-R209 HydrophobicContact CZ3-CG 4.49Å; W84-V210 HydrophobicContact CE3-CG1 3.68Å; W84-V210 HydrophobicContact CZ3-CG1 4Å; W84-C227 HydrophobicContact CH2-CB 4.1Å; W84-I230 HydrophobicContact CE3-CD1 4.39Å; W84-I230 HydrophobicContact CH2-CD1 4.2Å; W84-I230 HydrophobicContact CZ3-CD1 3.52Å
85V94.2Very high90Very high0 Ų040.4 Ų40.40%018%0.181CC..Hα-helixtrans-65-44.6-176.3172.80000110.5I45 S48 E81 L82 R88 L89 I101I45-V85 HydrophobicContact CG2-CG2 4.46Å; I45-V85 WeakPolarHBondContact O-CG2 3.39Å; S48-V85 WeakPolarHBondContact OG-CG1 3.47Å; E81-V85 WeakPolarHBondContact O-CB 3.31Å; E81-V85 VanDerWaalsContact O-CG2 3.25Å; E81-V85 WeakPolarHBondContact O-CG2 3.47Å; E81-V85 PolarHBondContact O-N 2.62Å; L82-V85 PolarHBondContact O-N 3.21Å; V85-R88 PolarHBondContact O-N 2.98Å; V85-L89 HydrophobicContact CG1-CD1 3.76Å; V85-L89 WeakPolarHBondContact O-CB 3.28Å; V85-L89 WeakPolarHBondContact O-CD1 3.42Å; V85-L89 WeakPolarHBondContact O-CG 3.18Å; V85-L89 PolarHBondContact O-N 3.12Å; V85-I101 HydrophobicContact CB-CD1 4.17Å; V85-I101 HydrophobicContact CG1-CD1 3.46Å; V85-I101 VanDerWaalsContact CG1-CD1 3.46Å
86Y94.4Very high88.2Confident10 Ų1049.4 Ų49.44%0.03922%0.223CC..Hα-helixtrans-53.7-55.4170.8171.4-108000112L82 R88 L89 T90 E102 L105 F172 L181L82-Y86 WeakPolarHBondContact O-CB 3.29Å; L82-Y86 PolarHBondContact O-N 2.64Å; Y86-R88 PolarHBondContact O-N 3.37Å; Y86-L89 WeakPolarHBondContact O-CB 3.42Å; Y86-L89 PolarHBondContact O-N 3Å; Y86-T90 HydrophobicContact CD1-CG2 4.4Å; Y86-T90 HydrophobicContact CD2-CG2 4.26Å; Y86-T90 HydrophobicContact CE1-CG2 3.91Å; Y86-T90 HydrophobicContact CE2-CG2 3.76Å; Y86-T90 WeakPolarHBondContact O-CG2 3.08Å; Y86-T90 PolarHBondContact O-N 2.84Å; Y86-E102 HydrophobicContact CD2-CG 3.82Å; Y86-E102 HydrophobicContact CE2-CG 3.72Å; Y86-E102 WeakPolarHBondContact CE2-OE1 3.1Å; Y86-L105 HydrophobicContact CD1-CD1 4.47Å; Y86-L105 HydrophobicContact CG-CD1 4.08Å; Y86-F172 HydrophobicContact CE1-CD1 4.41Å; Y86-F172 HydrophobicContact CE1-CE1 4.29Å; Y86-F172 HydrophobicContact CE2-CD1 4.48Å; Y86-F172 HydrophobicContact CE2-CD2 4.33Å; Y86-F172 HydrophobicContact CE2-CG 4.24Å; Y86-F172 AromaticContact CZ-CD1 3.84Å; Y86-F172 VanDerWaalsContact OH-CD1 3.32Å; Y86-F172 WeakPolarHBondContact OH-CD1 3.28Å; Y86-L181 HydrophobicContact CD1-CD1 4.1Å; Y86-L181 HydrophobicContact CD1-CD2 4.08Å; Y86-L181 HydrophobicContact CE1-CD1 3.93Å; Y86-L181 HydrophobicContact CE1-CD2 4.34Å; Y86-L181 HydrophobicContact CE1-CG 4.46Å
87L94.1Very high86.4Confident1 Ų150.3 Ų50.31%0.00523%0.23CC..Hα-helixtrans-62.9-39.6-177.1-73.9172.6000112.6M83 W84 L89 T90 F178 L181 V210 I230 F236M83-L87 WeakPolarHBondContact O-CB 3.3Å; M83-L87 WeakPolarHBondContact O-CG 3.44Å; M83-L87 PolarHBondContact O-N 2.7Å; W84-L87 PolarHBondContact O-N 2.76Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 PolarHBondContact O-N 3.44Å; L87-T90 PolarHBondContact O-N 3.34Å; L87-T90 PolarHBondContact O-OG1 2.94Å; L87-F178 HydrophobicContact CD2-CE1 4.36Å; L87-F178 HydrophobicContact CD2-CZ 3.82Å; L87-L181 HydrophobicContact CD1-CD1 4.27Å; L87-L181 HydrophobicContact CD2-CD1 3.75Å; L87-L181 HydrophobicContact CG-CD1 4.11Å; L87-V210 HydrophobicContact CD1-CG1 3.83Å; L87-I230 HydrophobicContact CB-CD1 4.28Å; L87-I230 HydrophobicContact CB-CG2 4.15Å; L87-I230 HydrophobicContact CD1-CG2 4.48Å; L87-I230 HydrophobicContact CD2-CG2 4.16Å; L87-F236 HydrophobicContact CD1-CZ 4.43Å
88R92.2Very high85.4Confident43 Ų4351.2 Ų51.216%0.16224%0.235CC..Hα-helixtrans-54.3-47.8171.1176.1175.272.6169.8-8110.8Q46 S48 W84 V85 Y86 V91 S92 E225Q46-R88 PolarHBondContact O-NH2 2.96Å; S48-R88 PolarHBondContact OG-NH2 3.01Å; W84-R88 HydrophobicContact CH2-CB 4.18Å; W84-R88 HydrophobicContact CZ2-CB 4.01Å; W84-R88 HydrophobicContact CZ2-CG 4.23Å; W84-R88 WeakPolarHBondContact O-CB 3.4Å; W84-R88 PolarHBondContact O-N 2.76Å; V85-R88 PolarHBondContact O-N 2.98Å; Y86-R88 PolarHBondContact O-N 3.37Å; R88-V91 PolarHBondContact O-N 3.47Å; R88-S92 PolarHBondContact O-N 3.22Å; R88-S92 PolarHBondContact O-OG 3.34Å; R88-E225 IonicContact NH1-OE2 3.81Å; R88-E225 PolarHBondContact NH1-OE2 3.26Å
89L89.1Confident85Confident26 Ų2653.5 Ų53.514%0.13626%0.258CS..Hα-helixtrans-67.5-34.5-178.9-67.7162.4000112.4V85 Y86 L87 V91 S92 S97 N98V85-L89 HydrophobicContact CG1-CD1 3.76Å; V85-L89 WeakPolarHBondContact O-CB 3.28Å; V85-L89 WeakPolarHBondContact O-CD1 3.42Å; V85-L89 WeakPolarHBondContact O-CG 3.18Å; V85-L89 PolarHBondContact O-N 3.12Å; Y86-L89 WeakPolarHBondContact O-CB 3.42Å; Y86-L89 PolarHBondContact O-N 3Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 PolarHBondContact O-N 3.44Å; L89-V91 PolarHBondContact O-N 3.08Å; L89-V91 VanDerWaalsContact O-N 3.09Å; L89-S92 WeakPolarHBondContact O-CB 3.32Å; L89-S92 PolarHBondContact O-N 3.14Å; L89-S92 VanDerWaalsContact O-N 3.09Å; L89-S97 WeakPolarHBondContact CD1-O 3.43Å; L89-S97 WeakPolarHBondContact CD2-OG 3.47Å; L89-N98 HydrophobicContact CD1-CB 4.1Å
90T88.2Confident84.7Confident52 Ų5254.6 Ų54.632%0.31927%0.266SS..Hα-helixtrans-62.9-17.8176.470.70000114.8Y86 L87Y86-T90 HydrophobicContact CD1-CG2 4.4Å; Y86-T90 HydrophobicContact CD2-CG2 4.26Å; Y86-T90 HydrophobicContact CE1-CG2 3.91Å; Y86-T90 HydrophobicContact CE2-CG2 3.76Å; Y86-T90 WeakPolarHBondContact O-CG2 3.08Å; Y86-T90 PolarHBondContact O-N 2.84Å; L87-T90 PolarHBondContact O-N 3.34Å; L87-T90 PolarHBondContact O-OG1 2.94Å
91V87.3Confident84.6Confident51 Ų5154.7 Ų54.731%0.30927%0.266SS..Hα-helixtrans-100.9-22.2176-179.70000112R88 L89 I230R88-V91 PolarHBondContact O-N 3.47Å; L89-V91 PolarHBondContact O-N 3.08Å; L89-V91 VanDerWaalsContact O-N 3.09Å; V91-I230 HydrophobicContact CG2-CB 4.29Å; V91-I230 HydrophobicContact CG2-CG1 3.65Å
92S82.5Confident84.4Confident50 Ų5058 Ų5835%0.3528%0.282SS..SBendtrans-64.3151.7172.2-70.40000111.9R88 L89 D94R88-S92 PolarHBondContact O-N 3.22Å; R88-S92 PolarHBondContact O-OG 3.34Å; L89-S92 WeakPolarHBondContact O-CB 3.32Å; L89-S92 PolarHBondContact O-N 3.14Å; L89-S92 VanDerWaalsContact O-N 3.09Å; S92-D94 VanDerWaalsContact C-N 3.32Å
93R67.4Low84.4Confident253 Ų25360.9 Ų60.996%0.95531%0.306SS*.SBendtrans-78.2-19.8172.2-70.7-174.5176.2-174.4-0.9113R95R93-R95 PolarHBondContact O-N 2.92Å
94D66.7Low84.4Confident82 Ų8261 Ų6144%0.43931%0.306SS..  trans-74.6106.1171.4-168.8-40.7000109.1S92 Q96 S97S92-D94 VanDerWaalsContact C-N 3.32Å; D94-Q96 PolarHBondContact OD1-N 2.73Å; D94-S97 WeakPolarHBondContact OD1-CB 3.42Å; D94-S97 PolarHBondContact OD1-N 2.82Å; D94-S97 PolarHBondContact OD1-OG 2.75Å
95R59.8Low84.5Confident240 Ų24060.1 Ų60.191%0.90630%0.303SS*.  trans-100.66.1176.8-70.6-175.2170.2-170-3.5113.2R93R93-R95 PolarHBondContact O-N 2.92Å
96Q59Low84.6Confident190 Ų19060.8 Ų60.889%0.88831%0.306SS*.SBendtrans-103.7-21.9-177.7-69.7-179.7-31.900111.7D94 N98D94-Q96 PolarHBondContact OD1-N 2.73Å; Q96-N98 PolarHBondContact O-N 2.88Å
97S60.2Low84.7Confident26 Ų2660.9 Ų60.918%0.18231%0.311CS..THydrogen-bonded Turntrans-77.397.6178.446.10000113.5L89 D94L89-S97 WeakPolarHBondContact CD1-O 3.43Å; L89-S97 WeakPolarHBondContact CD2-OG 3.47Å; D94-S97 WeakPolarHBondContact OD1-CB 3.42Å; D94-S97 PolarHBondContact OD1-N 2.82Å; D94-S97 PolarHBondContact OD1-OG 2.75Å
98N75.4Confident84.9Confident29 Ų2960.9 Ų60.916%0.15531%0.311CS..THydrogen-bonded Turntrans94.350.8160.5-49.3-64.2000120.1S48 L53 L89 Q96 C100 I101S48-N98 WeakPolarHBondContact CB-ND2 3.44Å; S48-N98 PolarHBondContact O-ND2 3.46Å; S48-N98 PolarHBondContact O-OD1 3.06Å; L53-N98 WeakPolarHBondContact CD2-OD1 3.45Å; L89-N98 HydrophobicContact CD1-CB 4.1Å; Q96-N98 PolarHBondContact O-N 2.88Å; N98-C100 PolarHBondContact O-N 3.4Å; N98-C100 VanDerWaalsContact O-N 3.1Å; N98-I101 HydrophobicContact CB-CD1 4.03Å; N98-I101 HydrophobicContact CB-CG1 4.2Å; N98-I101 PolarHBondContact O-N 3.19Å; N98-I101 VanDerWaalsContact O-N 3.1Å
99G90Very high85.2Confident47 Ų4758.9 Ų58.949%0.48530%0.303SS..Hα-helixtrans-56.7-16.8159.700000114.6E102 A103G99-E102 PolarHBondContact O-N 3.22Å; G99-A103 WeakPolarHBondContact O-CB 3.43Å; G99-A103 PolarHBondContact O-N 2.92Å
100C93.2Very high85.5Confident24 Ų2459.3 Ų59.316%0.16231%0.306CS..Hα-helixtrans-66.2-33172.657.40000113.7E54 C57 N98 L104E54-C100 HydrophobicContact CB-CB 4.23Å; E54-C100 HydrophobicContact CG-CB 4.17Å; C57-C100 HydrophobicContact CB-CB 4.12Å; N98-C100 PolarHBondContact O-N 3.4Å; N98-C100 VanDerWaalsContact O-N 3.1Å; C100-L104 WeakPolarHBondContact O-CB 3.34Å; C100-L104 PolarHBondContact O-N 3.49Å
101I95.1Very high85.8Confident1 Ų159.9 Ų59.91%0.00531%0.306CS..Hα-helixtrans-74.5-40.6174.7-65.8175.3000109.8L53 L82 V85 N98 L104 L105L53-I101 HydrophobicContact CD1-CD1 4.38Å; L53-I101 HydrophobicContact CD1-CG1 4.48Å; L53-I101 HydrophobicContact CD2-CD1 4.23Å; L82-I101 HydrophobicContact CB-CG2 4.43Å; L82-I101 HydrophobicContact CD2-CG1 4.2Å; L82-I101 HydrophobicContact CD2-CG2 4.23Å; V85-I101 HydrophobicContact CB-CD1 4.17Å; V85-I101 HydrophobicContact CG1-CD1 3.46Å; V85-I101 VanDerWaalsContact CG1-CD1 3.46Å; N98-I101 HydrophobicContact CB-CD1 4.03Å; N98-I101 HydrophobicContact CB-CG1 4.2Å; N98-I101 PolarHBondContact O-N 3.19Å; N98-I101 VanDerWaalsContact O-N 3.1Å; I101-L104 PolarHBondContact O-N 3.38Å; I101-L105 HydrophobicContact CG2-CD1 3.9Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 WeakPolarHBondContact O-CG 3.24Å; I101-L105 PolarHBondContact O-N 2.93Å
102E94.4Very high86.2Confident72 Ų7258.7 Ų58.734%0.33630%0.298SS..Hα-helixtrans-57.7-50.4172.5-68.9-167.1166.300111.1Y86 G99 L104 L105 L106 F172Y86-E102 HydrophobicContact CD2-CG 3.82Å; Y86-E102 HydrophobicContact CE2-CG 3.72Å; Y86-E102 WeakPolarHBondContact CE2-OE1 3.1Å; G99-E102 PolarHBondContact O-N 3.22Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 2.85Å; E102-L105 PolarHBondContact O-N 3.05Å; E102-L106 WeakPolarHBondContact O-CB 3.31Å; E102-L106 PolarHBondContact O-N 2.87Å; E102-F172 HydrophobicContact CB-CD2 3.87Å; E102-F172 HydrophobicContact CB-CE2 4.28Å; E102-F172 HydrophobicContact CG-CD2 4.05Å; E102-F172 WeakPolarHBondContact O-CE2 3.34Å
103A95.8Very high86.8Confident62 Ų6256.7 Ų56.751%0.51228%0.283SS..Hα-helixtrans-60.1-39.9177.600000113G99 G107G99-A103 WeakPolarHBondContact O-CB 3.43Å; G99-A103 PolarHBondContact O-N 2.92Å; A103-G107 WeakPolarHBondContact O-CA 3.22Å; A103-G107 PolarHBondContact O-N 3.48Å
104L97.4Very high87.9Confident3 Ų346.2 Ų46.22%0.01625%0.25CS..Hα-helixtrans-65.1-51.1176.2173.760.5000112.1C57 L60 F61 L82 C100 I101 E102 L106 G107 I108C57-L104 HydrophobicContact CB-CB 4.33Å; C57-L104 HydrophobicContact CB-CD2 4.13Å; L60-L104 HydrophobicContact CB-CD1 4.13Å; L60-L104 HydrophobicContact CB-CD2 4.11Å; L60-L104 HydrophobicContact CD1-CD2 4.25Å; F61-L104 HydrophobicContact CB-CD1 3.75Å; L82-L104 HydrophobicContact CD1-CD2 3.61Å; L82-L104 HydrophobicContact CD1-CG 4.5Å; L82-L104 HydrophobicContact CD2-CD2 4.01Å; L82-L104 HydrophobicContact CG-CD2 4.48Å; C100-L104 WeakPolarHBondContact O-CB 3.34Å; C100-L104 PolarHBondContact O-N 3.49Å; I101-L104 PolarHBondContact O-N 3.38Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 2.85Å; L104-L106 PolarHBondContact O-N 3.37Å; L104-G107 PolarHBondContact O-N 2.98Å; L104-I108 HydrophobicContact CD1-CD1 3.71Å; L104-I108 HydrophobicContact CD1-CG1 4.14Å; L104-I108 HydrophobicContact CG-CD1 4.04Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.37Å; L104-I108 PolarHBondContact O-N 3.01Å
105L97.9Very high88.8Confident0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-61.9-45.1-179.5-69.6172.6000111L79 L82 M83 Y86 I101 E102 I108 Y109 F172 L181 L184L79-L105 HydrophobicContact CD1-CD2 3.62Å; L82-L105 HydrophobicContact CB-CD2 4.13Å; M83-L105 HydrophobicContact CG-CD2 4.03Å; Y86-L105 HydrophobicContact CD1-CD1 4.47Å; Y86-L105 HydrophobicContact CG-CD1 4.08Å; I101-L105 HydrophobicContact CG2-CD1 3.9Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 WeakPolarHBondContact O-CG 3.24Å; I101-L105 PolarHBondContact O-N 2.93Å; E102-L105 PolarHBondContact O-N 3.05Å; L105-I108 PolarHBondContact O-N 3.42Å; L105-Y109 WeakPolarHBondContact O-CB 3.19Å; L105-Y109 PolarHBondContact O-N 2.95Å; L105-F172 HydrophobicContact CB-CE2 4.06Å; L105-F172 HydrophobicContact CB-CZ 4.03Å; L105-L181 HydrophobicContact CD1-CD2 4.43Å; L105-L184 HydrophobicContact CB-CD1 4.01Å; L105-L184 HydrophobicContact CD2-CD1 4.1Å
106L96.9Very high89.9Confident14 Ų1444.4 Ų44.47%0.07325%0.249CC..Hα-helixtrans-68.6-36.7179.6-161.869.3000112.3E102 L104 Y109 N110 R169 E170 F172 V180E102-L106 WeakPolarHBondContact O-CB 3.31Å; E102-L106 PolarHBondContact O-N 2.87Å; L104-L106 PolarHBondContact O-N 3.37Å; L106-Y109 PolarHBondContact O-N 2.84Å; L106-N110 WeakPolarHBondContact O-CB 3.45Å; L106-N110 VanDerWaalsContact O-CG 3.32Å; L106-N110 PolarHBondContact O-N 2.97Å; L106-N110 PolarHBondContact O-ND2 3.41Å; L106-R169 HydrophobicContact CD1-CB 3.71Å; L106-R169 WeakPolarHBondContact CD2-O 3.37Å; L106-R169 WeakPolarHBondContact CG-O 3.19Å; L106-E170 VanDerWaalsContact CD2-C 3.46Å; L106-E170 WeakPolarHBondContact CD2-O 3.49Å; L106-F172 HydrophobicContact CB-CD2 4.45Å; L106-F172 HydrophobicContact CB-CE2 3.98Å; L106-F172 HydrophobicContact CD1-CD2 4.37Å; L106-F172 HydrophobicContact CD1-CE2 4.2Å; L106-F172 HydrophobicContact CD1-CZ 4.47Å; L106-V180 HydrophobicContact CD1-CG1 4.49Å; L106-V180 HydrophobicContact CD1-CG2 4.36Å
107G96.9Very high91.2Very high13 Ų1341.8 Ų41.813%0.13424%0.241CC..Hα-helixtrans-64.5-43.8173.600000112.6A103 L104 L111A103-G107 WeakPolarHBondContact O-CA 3.22Å; A103-G107 PolarHBondContact O-N 3.48Å; L104-G107 PolarHBondContact O-N 2.98Å; G107-L111 WeakPolarHBondContact O-CB 3.45Å; G107-L111 VanDerWaalsContact O-CG 3.29Å; G107-L111 WeakPolarHBondContact O-CG 3.17Å; G107-L111 PolarHBondContact O-N 3.38Å; G107-L111 VanDerWaalsContact O-N 3.1Å
108I97.6Very high92.5Very high1 Ų143.1 Ų43.11%0.00526%0.259CS..Hα-helixtrans-62.2-44.9173.8-68.1166.8000110.5Y64 T75 L104 L105 L111 E112 L184Y64-I108 HydrophobicContact CD1-CG1 4.19Å; Y64-I108 HydrophobicContact CD1-CG2 4.4Å; Y64-I108 HydrophobicContact CD2-CD1 4.43Å; Y64-I108 HydrophobicContact CD2-CG1 4.13Å; Y64-I108 HydrophobicContact CD2-CG2 4.47Å; Y64-I108 HydrophobicContact CE1-CG2 3.9Å; Y64-I108 HydrophobicContact CE2-CG1 4.47Å; Y64-I108 HydrophobicContact CE2-CG2 4Å; Y64-I108 HydrophobicContact CG-CG1 3.99Å; T75-I108 HydrophobicContact CG2-CD1 3.79Å; L104-I108 HydrophobicContact CD1-CD1 3.71Å; L104-I108 HydrophobicContact CD1-CG1 4.14Å; L104-I108 HydrophobicContact CG-CD1 4.04Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.37Å; L104-I108 PolarHBondContact O-N 3.01Å; L105-I108 PolarHBondContact O-N 3.42Å; I108-L111 PolarHBondContact O-N 3.31Å; I108-E112 PolarHBondContact O-N 3.27Å; I108-E112 VanDerWaalsContact O-N 3.1Å; I108-L184 HydrophobicContact CB-CD2 4.03Å; I108-L184 HydrophobicContact CG2-CD2 3.51Å
109Y97.5Very high93.1Very high0 Ų046.8 Ų46.80%028%0.279CS..Hα-helixtrans-57.6-53.8177.4168.5-90.5000111.3L105 L106 L111 E112 I113 H166 P167 R169 E179 V180 F183L105-Y109 WeakPolarHBondContact O-CB 3.19Å; L105-Y109 PolarHBondContact O-N 2.95Å; L106-Y109 PolarHBondContact O-N 2.84Å; Y109-L111 PolarHBondContact O-N 3.28Å; Y109-L111 VanDerWaalsContact O-N 3.17Å; Y109-E112 PolarHBondContact O-N 3.38Å; Y109-I113 HydrophobicContact CD1-CD1 4.35Å; Y109-I113 HydrophobicContact CD1-CG2 4.32Å; Y109-I113 HydrophobicContact CD2-CG2 4.07Å; Y109-I113 HydrophobicContact CE1-CD1 3.88Å; Y109-I113 HydrophobicContact CE1-CG2 4.01Å; Y109-I113 HydrophobicContact CE2-CG2 3.76Å; Y109-I113 HydrophobicContact CG-CG2 4.34Å; Y109-I113 WeakPolarHBondContact O-CG2 3.46Å; Y109-I113 PolarHBondContact O-N 3.26Å; Y109-H166 HydrophobicContact CE2-CB 4.5Å; Y109-P167 PolarHBondContact OH-O 3.2Å; Y109-P167 VanDerWaalsContact OH-O 3.07Å; Y109-R169 HydrophobicContact CE1-CB 4.14Å; Y109-R169 HydrophobicContact CE1-CG 3.71Å; Y109-E179 PolarHBondContact OH-OE1 3.19Å; Y109-V180 HydrophobicContact CD1-CG2 4.17Å; Y109-V180 HydrophobicContact CD2-CB 4.02Å; Y109-V180 HydrophobicContact CD2-CG1 3.82Å; Y109-V180 HydrophobicContact CD2-CG2 3.97Å; Y109-V180 HydrophobicContact CE1-CG2 4.05Å; Y109-V180 HydrophobicContact CE2-CB 4.19Å; Y109-V180 HydrophobicContact CE2-CG1 4.48Å; Y109-V180 HydrophobicContact CE2-CG2 3.83Å; Y109-V180 HydrophobicContact CG-CB 4.39Å; Y109-V180 HydrophobicContact CG-CG1 3.85Å; Y109-V180 HydrophobicContact CG-CG2 4.13Å; Y109-F183 HydrophobicContact CD2-CB 4.16Å; Y109-F183 AromaticContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CG 4.28Å; Y109-F183 HydrophobicContact CE2-CB 4.05Å; Y109-F183 AromaticContact CE2-CD1 3.97Å; Y109-F183 HydrophobicContact CE2-CD1 3.97Å; Y109-F183 HydrophobicContact CE2-CG 4.22Å
110N96.1Very high93Very high36 Ų3648.6 Ų48.619%0.19328%0.277CS..Hα-helixtrans-61.7-25.8179.8-71.8-32.3000113L106 Q168 R169L106-N110 WeakPolarHBondContact O-CB 3.45Å; L106-N110 VanDerWaalsContact O-CG 3.32Å; L106-N110 PolarHBondContact O-N 2.97Å; L106-N110 PolarHBondContact O-ND2 3.41Å; N110-Q168 HydrophobicContact CB-CG 4.34Å; N110-Q168 VanDerWaalsContact OD1-CG 3.23Å; N110-Q168 WeakPolarHBondContact OD1-CG 3.37Å; N110-R169 PolarHBondContact ND2-O 3Å; N110-R169 PolarHBondContact OD1-N 3.22Å
111L95.4Very high92.8Very high63 Ų6349.8 Ų49.833%0.3328%0.28SS..Hα-helixtrans-84.4-11.6174.2-73.6173.9000114.7F61 Y64 R65 G107 I108 Y109F61-L111 HydrophobicContact CD2-CD1 4.36Å; F61-L111 HydrophobicContact CE2-CD1 3.58Å; F61-L111 HydrophobicContact CE2-CG 4.42Å; F61-L111 HydrophobicContact CZ-CD1 4.07Å; Y64-L111 HydrophobicContact CD1-CB 4.34Å; Y64-L111 HydrophobicContact CD1-CD1 4Å; Y64-L111 HydrophobicContact CE1-CB 4.32Å; R65-L111 HydrophobicContact CB-CD1 4.16Å; R65-L111 HydrophobicContact CG-CD1 4.39Å; G107-L111 WeakPolarHBondContact O-CB 3.45Å; G107-L111 VanDerWaalsContact O-CG 3.29Å; G107-L111 WeakPolarHBondContact O-CG 3.17Å; G107-L111 PolarHBondContact O-N 3.38Å; G107-L111 VanDerWaalsContact O-N 3.1Å; I108-L111 PolarHBondContact O-N 3.31Å; Y109-L111 PolarHBondContact O-N 3.28Å; Y109-L111 VanDerWaalsContact O-N 3.17Å
112E95.1Very high92.6Very high27 Ų2752 Ų5213%0.12629%0.294CS..Hα-helixtrans-111.3-18.8180-80.8-62.9136.600114.2Y64 K72 I108 Y109 A114 K121 F183Y64-E112 HydrophobicContact CE1-CG 3.97Å; Y64-E112 WeakPolarHBondContact OH-CG 3.16Å; Y64-E112 PolarHBondContact OH-OE1 3.24Å; Y64-E112 VanDerWaalsContact OH-OE1 3.12Å; K72-E112 IonicContact NZ-OE1 2.63Å; K72-E112 PolarHBondContact NZ-OE1 3.03Å; I108-E112 PolarHBondContact O-N 3.27Å; I108-E112 VanDerWaalsContact O-N 3.1Å; Y109-E112 PolarHBondContact O-N 3.38Å; E112-A114 VanDerWaalsContact C-N 3.25Å; E112-K121 WeakPolarHBondContact O-CD 3.3Å; E112-K121 PolarHBondContact O-NZ 2.85Å; E112-K121 IonicContact OE2-NZ 2.82Å; E112-K121 PolarHBondContact OE2-NZ 3.04Å; E112-F183 HydrophobicContact CB-CE1 3.77Å; E112-F183 HydrophobicContact CB-CZ 4.4Å; E112-F183 WeakPolarHBondContact O-CZ 3.42Å
113I94.3Very high92.4Very high7 Ų750.3 Ų50.34%0.03629%0.286CS..SBendtrans-73.2-18.4170.163.6177000112.7Y109 K121 H166 Q168 F183Y109-I113 HydrophobicContact CD1-CD1 4.35Å; Y109-I113 HydrophobicContact CD1-CG2 4.32Å; Y109-I113 HydrophobicContact CD2-CG2 4.07Å; Y109-I113 HydrophobicContact CE1-CD1 3.88Å; Y109-I113 HydrophobicContact CE1-CG2 4.01Å; Y109-I113 HydrophobicContact CE2-CG2 3.76Å; Y109-I113 HydrophobicContact CG-CG2 4.34Å; Y109-I113 WeakPolarHBondContact O-CG2 3.46Å; Y109-I113 PolarHBondContact O-N 3.26Å; I113-K121 WeakPolarHBondContact O-CB 3.26Å; I113-K121 PolarHBondContact O-N 2.81Å; I113-H166 HydrophobicContact CB-CB 4.07Å; I113-H166 HydrophobicContact CG2-CB 3.46Å; I113-H166 VanDerWaalsContact CG2-CB 3.46Å; I113-Q168 HydrophobicContact CD1-CB 4.14Å; I113-F183 HydrophobicContact CB-CE1 4.41Å; I113-F183 HydrophobicContact CG2-CD1 3.88Å; I113-F183 HydrophobicContact CG2-CE1 3.47Å; I113-F183 VanDerWaalsContact CG2-CE1 3.47Å; I113-F183 HydrophobicContact CG2-CZ 3.87Å
114A91.8Very high92.3Very high33 Ų3349.4 Ų49.427%0.27328%0.276SS..BIsolated β-bridgetrans-93.1142.6172.700000110.9E112 N119E112-A114 VanDerWaalsContact C-N 3.25Å; A114-N119 WeakPolarHBondContact CA-O 3.41Å
115D84.8Confident92.1Very high86 Ų8654.1 Ų54.146%0.4630%0.297SS..  trans-84.7174.5164.1-157-5.3000110.5D117 G118 N119D115-D117 PolarHBondContact O-N 3.42Å; D115-D117 VanDerWaalsContact O-N 3.11Å; D115-G118 PolarHBondContact O-N 3.23Å; D115-N119 PolarHBondContact N-O 2.93Å
116K83.3Confident91.9Very high199 Ų19957.5 Ų57.587%0.86532%0.318SS*.THydrogen-bonded Turntrans-55.5-29.9-178-62.3174.5-175173.50113.9G118K116-G118 VanDerWaalsContact C-N 3.27Å; K116-G118 PolarHBondContact O-N 3.1Å
117D87.2Confident91.5Very high135 Ų13560.3 Ų60.372%0.72233%0.332SS*.THydrogen-bonded Turntrans-85.23.8178.8-57.3-34.3000112.9D115 N119D115-D117 PolarHBondContact O-N 3.42Å; D115-D117 VanDerWaalsContact O-N 3.11Å; D117-N119 VanDerWaalsContact C-N 3.25Å; D117-N119 WeakPolarHBondContact CB-ND2 3.4Å; D117-N119 PolarHBondContact O-N 2.73Å
118G85.8Confident91.1Very high54 Ų5465.3 Ų65.356%0.55736%0.362SS*.SBendtrans79.3-1.7-176.200000115D115 K116D115-G118 PolarHBondContact O-N 3.23Å; K116-G118 VanDerWaalsContact C-N 3.27Å; K116-G118 PolarHBondContact O-N 3.1Å
119N88.4Confident90.4Very high106 Ų10667 Ų6757%0.56737%0.374SS*.  trans-75.4147.8177.6-65.9-60.3000112A114 D115 D117 K121A114-N119 WeakPolarHBondContact CA-O 3.41Å; D115-N119 PolarHBondContact N-O 2.93Å; D117-N119 VanDerWaalsContact C-N 3.25Å; D117-N119 WeakPolarHBondContact CB-ND2 3.4Å; D117-N119 PolarHBondContact O-N 2.73Å; N119-K121 PolarHBondContact O-N 2.76Å
120N88Confident89.8Confident84 Ų8472.1 Ų72.145%0.44940%0.401SS..BIsolated β-bridgetrans-63.3128.4173.6-73.216.8000111.2L165 H166N120-L165 HydrophobicContact CB-CD2 3.54Å; N120-H166 PolarHBondContact ND2-O 2.99Å
121K89.7Confident89Confident49 Ų4971 Ų7121%0.21340%0.396CS..  trans-87.5109.4-169-177.2-171.5-174.3173.70111.5E112 I113 N119 L123E112-K121 WeakPolarHBondContact O-CD 3.3Å; E112-K121 PolarHBondContact O-NZ 2.85Å; E112-K121 IonicContact OE2-NZ 2.82Å; E112-K121 PolarHBondContact OE2-NZ 3.04Å; I113-K121 WeakPolarHBondContact O-CB 3.26Å; I113-K121 PolarHBondContact O-N 2.81Å; N119-K121 PolarHBondContact O-N 2.76Å; K121-L123 HydrophobicContact CG-CD2 4.24Å
122V90.1Very high88.4Confident49 Ų4970.7 Ų70.730%0.29739%0.392SS..  trans-91.4118.8175.6-178.10000110.5V161 L165V122-V161 HydrophobicContact CG1-CB 4.45Å; V122-V161 HydrophobicContact CG1-CG1 3.78Å; V122-V161 HydrophobicContact CG1-CG2 3.79Å; V122-L165 HydrophobicContact CG2-CD2 3.38Å; V122-L165 HydrophobicContact CG2-CG 3.74Å
123L91.4Very high87.9Confident36 Ų3673.8 Ų73.819%0.18841%0.414CS..EExtended strand (participates in β ladder)trans-93.9116.4179-63.2178.3000110.5K121 Y162 S163 F183 L186K121-L123 HydrophobicContact CG-CD2 4.24Å; L123-Y162 HydrophobicContact CB-CD1 4.39Å; L123-Y162 HydrophobicContact CB-CE1 3.85Å; L123-Y162 HydrophobicContact CB-CE2 4.08Å; L123-Y162 HydrophobicContact CD1-CE2 4.48Å; L123-Y162 VanDerWaalsContact O-CD1 3.28Å; L123-Y162 WeakPolarHBondContact O-CD1 3.44Å; L123-Y162 PolarHBondContact O-N 3.34Å; L123-S163 PolarHBondContact N-O 3.27Å; L123-S163 PolarHBondContact O-N 3.41Å; L123-F183 HydrophobicContact CD1-CE2 4.11Å; L123-L186 HydrophobicContact CD1-CD2 3.75Å; L123-L186 HydrophobicContact CD1-CG 4.49Å
124S92.9Very high87.7Confident42 Ų4276 Ų7629%0.29443%0.43SS..EExtended strand (participates in β ladder)trans-138.6149.4-176.165.10000112.8R159 V160S124-R159 VanDerWaalsContact CB-NE 3.32Å; S124-R159 VanDerWaalsContact CB-NH2 3.35Å; S124-R159 VanDerWaalsContact OG-CZ 3.28Å; S124-R159 PolarHBondContact OG-NE 2.84Å; S124-R159 PolarHBondContact OG-NH2 3.32Å; S124-V160 CarbonylContact C-O 3.55Å; S124-V160 WeakPolarHBondContact CA-O 3.37Å; S124-V160 VanDerWaalsContact CB-O 3.32Å; S124-V160 WeakPolarHBondContact CB-O 3.45Å
125F93.2Very high87.8Confident102 Ų10281.6 Ų81.645%0.44745%0.454SS..EExtended strand (participates in β ladder)trans-125.2169164.270.7-88.4000110.5I127 R159 V160 Y162F125-I127 HydrophobicContact CE2-CG1 3.88Å; F125-R159 CarbonylContact O-C 3.39Å; F125-R159 WeakPolarHBondContact O-CA 3.36Å; F125-V160 HydrophobicContact CE1-CB 4.04Å; F125-V160 HydrophobicContact CE1-CG1 3.98Å; F125-V160 HydrophobicContact CE2-CB 4.41Å; F125-V160 HydrophobicContact CZ-CB 3.98Å; F125-V160 HydrophobicContact CZ-CG1 4.14Å; F125-V160 HydrophobicContact CZ-CG2 4.39Å; F125-V160 PolarHBondContact N-O 3.45Å; F125-V160 PolarHBondContact O-N 2.95Å; F125-Y162 AromaticContact CD1-CD1 3.66Å; F125-Y162 HydrophobicContact CD1-CD1 3.66Å; F125-Y162 HydrophobicContact CD1-CE1 4.27Å; F125-Y162 HydrophobicContact CD1-CG 4.3Å; F125-Y162 HydrophobicContact CE1-CD1 4.29Å
126T92.8Very high88.1Confident72 Ų7287.4 Ų87.444%0.44247%0.471SS..EExtended strand (participates in β ladder)trans-111.5125178.5-58.40000108.8P128 L157T126-P128 VanDerWaalsContact O-CD 3.31Å; T126-P128 WeakPolarHBondContact O-CD 3.25Å; T126-L157 HydrophobicContact CG2-CB 3.52Å; T126-L157 HydrophobicContact CG2-CD1 4.21Å; T126-L157 HydrophobicContact CG2-CD2 4.43Å; T126-L157 HydrophobicContact CG2-CG 4.27Å
127I89.8Confident88.3Confident72 Ų7279.8 Ų79.837%0.36944%0.439SS..  trans-65.7122.5176.8-65.2175.7000108.9F125 I158 V160F125-I127 HydrophobicContact CE2-CG1 3.88Å; I127-I158 HydrophobicContact CB-CB 4.45Å; I127-I158 HydrophobicContact CD1-CB 4.24Å; I127-I158 HydrophobicContact CD1-CG2 4.1Å; I127-I158 PolarHBondContact N-O 2.73Å; I127-V160 HydrophobicContact CD1-CG2 3.65Å; I127-V160 HydrophobicContact CG1-CG2 3.91Å
128P88.1Confident88.4Confident119 Ų11977.8 Ų77.877%0.77343%0.425SS*.  trans-65.6142.2173.8-20.133.5000111.6T126T126-P128 VanDerWaalsContact O-CD 3.31Å; T126-P128 WeakPolarHBondContact O-CD 3.25Å
129S83Confident88.2Confident37 Ų3775.4 Ų75.426%0.25940%0.4SS..  trans-117.9132175.9177.80000111.3S131 K132S129-S131 PolarHBondContact O-N 2.72Å; S129-S131 WeakPolarHBondContact OG-CB 3.42Å; S129-S131 PolarHBondContact OG-N 3.06Å; S129-S131 VanDerWaalsContact OG-N 3.15Å; S129-K132 PolarHBondContact O-N 3.2Å
130L83.6Confident87.8Confident106 Ų10674.3 Ų74.356%0.55540%0.4SS*.THydrogen-bonded Turntrans-66.2-16.8172-64.7-179.8000112.7K132 H137 P139 I142 A146L130-K132 VanDerWaalsContact C-N 3.3Å; L130-H137 PolarHBondContact O-NE2 3.05Å; L130-H137 VanDerWaalsContact O-NE2 3.15Å; L130-P139 WeakPolarHBondContact O-CB 3.44Å; L130-P139 WeakPolarHBondContact O-CG 3.44Å; L130-I142 HydrophobicContact CB-CD1 4.03Å; L130-I142 HydrophobicContact CD2-CD1 4.05Å; L130-I142 HydrophobicContact CG-CD1 4.44Å; L130-A146 HydrophobicContact CB-CB 4.4Å
131S80.8Confident87.5Confident14 Ų1475.6 Ų75.610%0.09841%0.411CS..THydrogen-bonded Turntrans-78.4-9.6176.5-47.20000113.8S129 P139 A146 A151S129-S131 PolarHBondContact O-N 2.72Å; S129-S131 WeakPolarHBondContact OG-CB 3.42Å; S129-S131 PolarHBondContact OG-N 3.06Å; S129-S131 VanDerWaalsContact OG-N 3.15Å; S131-P139 VanDerWaalsContact C-CG 3.46Å; S131-P139 WeakPolarHBondContact O-CG 3.23Å; S131-A146 WeakPolarHBondContact CB-O 3.21Å; S131-A146 PolarHBondContact OG-O 3.48Å; S131-A151 WeakPolarHBondContact OG-CB 3.31Å
132K81.4Confident86.9Confident56 Ų5676.5 Ų76.524%0.24342%0.418CS..SBendtrans-113.9147.6176.3-66.3-156.3-179.7-171.80111.8S129 L130 H137 P139 H155 L157S129-K132 PolarHBondContact O-N 3.2Å; L130-K132 VanDerWaalsContact C-N 3.3Å; K132-H137 PolarHBondContact O-CE1 3.47Å; K132-H137 VanDerWaalsContact O-CE1 3.23Å; K132-H137 PolarHBondContact O-NE2 2.98Å; K132-P139 WeakPolarHBondContact O-CG 3.44Å; K132-H155 WeakPolarHBondContact CE-O 3.43Å; K132-H155 PolarHBondContact NZ-O 2.91Å; K132-L157 HydrophobicContact CD-CD1 4.17Å; K132-L157 HydrophobicContact CD-CD2 4.02Å; K132-L157 HydrophobicContact CD-CG 3.99Å
133P86.5Confident86Confident91 Ų9175.7 Ų75.759%0.59142%0.419SS*.  trans-53.9140168-25.235000111.8E138 P139P133-E138 WeakPolarHBondContact CB-OE2 3.43Å; P133-E138 WeakPolarHBondContact CG-OE2 3.29Å; P133-P139 HydrophobicContact CG-CG 4.45Å
134S89.4Confident84.9Confident54 Ų5478.8 Ų78.838%0.37844%0.444SS..  trans-135.3172.7172.984.60000110.5Y136 H137S134-Y136 PolarHBondContact O-N 3.12Å; S134-Y136 VanDerWaalsContact O-N 3.1Å; S134-Y136 PolarHBondContact OG-N 3Å; S134-H137 PolarHBondContact N-O 2.86Å; S134-H137 PolarHBondContact OG-CE1 3.31Å; S134-H137 PolarHBondContact OG-N 3.28Å; S134-H137 VanDerWaalsContact OG-N 3.13Å; S134-H137 PolarHBondContact OG-ND1 2.77Å
135I93.3Very high83.7Confident151 Ų15183.7 Ų83.777%0.77446%0.464SS*.SBendtrans-65.8-5.6172.362.4173.6000113.7
136Y91.5Very high82.3Confident207 Ų20779.4 Ų79.481%0.81245%0.448SS*.SBendtrans-117.4-20.1-178.5-54-56.4000114S134S134-Y136 PolarHBondContact O-N 3.12Å; S134-Y136 VanDerWaalsContact O-N 3.1Å; S134-Y136 PolarHBondContact OG-N 3Å
137H88.7Confident80.9Confident40 Ų4079.1 Ų79.119%0.18544%0.443CS..  trans-155.1153.3-175.281.3-84.5000113L130 K132 S134L130-H137 PolarHBondContact O-NE2 3.05Å; L130-H137 VanDerWaalsContact O-NE2 3.15Å; K132-H137 PolarHBondContact O-CE1 3.47Å; K132-H137 VanDerWaalsContact O-CE1 3.23Å; K132-H137 PolarHBondContact O-NE2 2.98Å; S134-H137 PolarHBondContact N-O 2.86Å; S134-H137 PolarHBondContact OG-CE1 3.31Å; S134-H137 PolarHBondContact OG-N 3.28Å; S134-H137 VanDerWaalsContact OG-N 3.13Å; S134-H137 PolarHBondContact OG-ND1 2.77Å
138E87.3Confident80Confident92 Ų9279.1 Ų79.143%0.4345%0.446SS..  trans-115.2119.5171.4173.947.1-130.400108.4P133 S140 T141P133-E138 WeakPolarHBondContact CB-OE2 3.43Å; P133-E138 WeakPolarHBondContact CG-OE2 3.29Å; E138-S140 WeakPolarHBondContact CG-OG 3.49Å; E138-S140 PolarHBondContact O-N 3.48Å; E138-T141 HydrophobicContact CB-CG2 4.35Å; E138-T141 WeakPolarHBondContact O-CB 3.34Å; E138-T141 PolarHBondContact O-N 2.99Å; E138-T141 PolarHBondContact O-OG1 3.47Å
139P82.9Confident78.9Confident5 Ų581.1 Ų81.13%0.03245%0.445CS..G310 helixtrans-53.3-31.7-170.1-31.132.9000115.6L130 S131 K132 P133 T141 I142 L147L130-P139 WeakPolarHBondContact O-CB 3.44Å; L130-P139 WeakPolarHBondContact O-CG 3.44Å; S131-P139 VanDerWaalsContact C-CG 3.46Å; S131-P139 WeakPolarHBondContact O-CG 3.23Å; K132-P139 WeakPolarHBondContact O-CG 3.44Å; P133-P139 HydrophobicContact CG-CG 4.45Å; P139-T141 PolarHBondContact O-N 3.44Å; P139-T141 VanDerWaalsContact O-N 3.17Å; P139-I142 PolarHBondContact O-N 3.41Å; P139-I142 VanDerWaalsContact O-N 3.08Å; P139-L147 HydrophobicContact CB-CD2 3.85Å
140S80.5Confident78.1Confident82 Ų8281.5 Ų81.557%0.57346%0.455SS*.G310 helixtrans-58.2-27.1176.462.40000113.4E138E138-S140 WeakPolarHBondContact CG-OG 3.49Å; E138-S140 PolarHBondContact O-N 3.48Å
141T81.8Confident77.1Confident111 Ų11177.5 Ų77.568%0.68144%0.437SS*.G310 helixtrans-74.5-22.7178.266.10000113.8E138 P139 G143E138-T141 HydrophobicContact CB-CG2 4.35Å; E138-T141 WeakPolarHBondContact O-CB 3.34Å; E138-T141 PolarHBondContact O-N 2.99Å; E138-T141 PolarHBondContact O-OG1 3.47Å; P139-T141 PolarHBondContact O-N 3.44Å; P139-T141 VanDerWaalsContact O-N 3.17Å; T141-G143 VanDerWaalsContact C-N 3.34Å
142I75.3Confident76.1Confident68 Ų6879.9 Ų79.935%0.34945%0.449SS..G310 helixtrans-86.1-13-177.9-46.9-179000110.9L130 P139 A146L130-I142 HydrophobicContact CB-CD1 4.03Å; L130-I142 HydrophobicContact CD2-CD1 4.05Å; L130-I142 HydrophobicContact CG-CD1 4.44Å; P139-I142 PolarHBondContact O-N 3.41Å; P139-I142 VanDerWaalsContact O-N 3.08Å; I142-A146 HydrophobicContact CB-CB 3.89Å; I142-A146 HydrophobicContact CG2-CB 3.77Å
143G71.6Confident75Confident32 Ų3282.1 Ų82.133%0.3347%0.47SS..  trans73.9177.7-178.900000113.5T141 M145 A146T141-G143 VanDerWaalsContact C-N 3.34Å; G143-M145 PolarHBondContact O-N 2.91Å; G143-A146 PolarHBondContact O-N 3.04Å; G143-A146 VanDerWaalsContact O-N 3.1Å
144S69.5Low73.6Confident101 Ų10183.1 Ų83.171%0.70647%0.467SS*.THydrogen-bonded Turntrans-61.7-11.7-165.5-47.50000116L147 T148S144-L147 CarbonylContact O-C 3.46Å; S144-L147 PolarHBondContact O-N 3.01Å; S144-T148 PolarHBondContact O-N 3.35Å
145M67Low72Confident146 Ų14685.4 Ų85.472%0.71947%0.472SS*.THydrogen-bonded Turntrans-69.6-32.6175.1-65.1-167.1-62.400112.7G143 L147 I312G143-M145 PolarHBondContact O-N 2.91Å; M145-L147 VanDerWaalsContact C-N 3.26Å; M145-I312 HydrophobicContact CE-CD1 4.46Å
146A64Low70.7Confident12 Ų1284.7 Ų84.710%0.09947%0.469CS..THydrogen-bonded Turntrans-78.9-11.9172.200000112.9L130 S131 I142 G143L130-A146 HydrophobicContact CB-CB 4.4Å; S131-A146 WeakPolarHBondContact CB-O 3.21Å; S131-A146 PolarHBondContact OG-O 3.48Å; I142-A146 HydrophobicContact CB-CB 3.89Å; I142-A146 HydrophobicContact CG2-CB 3.77Å; G143-A146 PolarHBondContact O-N 3.04Å; G143-A146 VanDerWaalsContact O-N 3.1Å
147L64.2Low69.9Low65 Ų6578.6 Ų78.634%0.3445%0.45SS..THydrogen-bonded Turntrans-11728.7-174.4-59.7174.1000112P139 S144 M145 L152P139-L147 HydrophobicContact CB-CD2 3.85Å; S144-L147 CarbonylContact O-C 3.46Å; S144-L147 PolarHBondContact O-N 3.01Å; M145-L147 VanDerWaalsContact C-N 3.26Å; L147-L152 HydrophobicContact CB-CD1 4.47Å; L147-L152 HydrophobicContact CD2-CD2 4.11Å
148T70.4Confident69.6Low73 Ų7380.8 Ų80.845%0.44846%0.463SS..  trans-64.6149172.757.30000110.3S144 G150 A151 L152S144-T148 PolarHBondContact O-N 3.35Å; T148-G150 VanDerWaalsContact C-N 3.25Å; T148-G150 PolarHBondContact O-N 2.81Å; T148-A151 WeakPolarHBondContact O-CA 3.34Å; T148-A151 WeakPolarHBondContact O-CB 3.43Å; T148-A151 PolarHBondContact O-N 3.34Å; T148-A151 WeakPolarHBondContact OG1-CB 3.28Å; T148-L152 PolarHBondContact O-N 3.14Å
149E64.3Low69.7Low160 Ų16083.4 Ų83.475%0.74847%0.468SS*.Hα-helixtrans-52.3-43.9179.2-173174.9-167.800111.7A151 L152 C153E149-A151 VanDerWaalsContact C-N 3.3Å; E149-A151 PolarHBondContact O-N 2.82Å; E149-L152 CarbonylContact O-C 3.57Å; E149-L152 PolarHBondContact O-N 3.04Å; E149-C153 WeakPolarHBondContact O-CB 3.47Å; E149-C153 PolarHBondContact O-N 2.95Å; E149-C153 PolarHBondContact O-SG 2.93Å
150G67.1Low70Confident45 Ų4585.2 Ų85.246%0.46448%0.479SS..Hα-helixtrans-66.1-22.8175.900000115.7T148 Q154T148-G150 VanDerWaalsContact C-N 3.25Å; T148-G150 PolarHBondContact O-N 2.81Å; G150-Q154 PolarHBondContact O-NE2 3.14Å
151A61.4Low70.5Confident22 Ų2283.9 Ų83.918%0.18247%0.468CS..Hα-helixtrans-84.2-33.9172.600000111.6S131 T148 E149 Q154S131-A151 WeakPolarHBondContact OG-CB 3.31Å; T148-A151 WeakPolarHBondContact O-CA 3.34Å; T148-A151 WeakPolarHBondContact O-CB 3.43Å; T148-A151 PolarHBondContact O-N 3.34Å; T148-A151 WeakPolarHBondContact OG1-CB 3.28Å; E149-A151 VanDerWaalsContact C-N 3.3Å; E149-A151 PolarHBondContact O-N 2.82Å; A151-Q154 PolarHBondContact O-N 2.91Å
152L60.2Low70.9Confident65 Ų6583.7 Ų83.734%0.3446%0.455SS..Hα-helixtrans-75.9-29.5173.3-67175.2000112.9L147 T148 E149 Q154 H155L147-L152 HydrophobicContact CB-CD1 4.47Å; L147-L152 HydrophobicContact CD2-CD2 4.11Å; T148-L152 PolarHBondContact O-N 3.14Å; E149-L152 CarbonylContact O-C 3.57Å; E149-L152 PolarHBondContact O-N 3.04Å; L152-Q154 PolarHBondContact O-N 3.03Å; L152-H155 WeakPolarHBondContact O-CA 3.38Å; L152-H155 WeakPolarHBondContact O-CB 3.23Å; L152-H155 PolarHBondContact O-CD2 2.9Å; L152-H155 VanDerWaalsContact O-CD2 3.32Å; L152-H155 PolarHBondContact O-N 3.46Å; L152-H155 VanDerWaalsContact O-N 3.12Å
153C59Low71.6Confident102 Ų10280.9 Ų80.969%0.68944%0.441SS*.THydrogen-bonded Turntrans-69.7-17.4170.7-70.30000112.7E149 H155E149-C153 WeakPolarHBondContact O-CB 3.47Å; E149-C153 PolarHBondContact O-N 2.95Å; E149-C153 PolarHBondContact O-SG 2.93Å; C153-H155 PolarHBondContact O-N 3.11Å
154Q56.5Low72.2Confident112 Ų11284.1 Ų84.152%0.52345%0.451SS..THydrogen-bonded Turntrans-87.843.2164.8-70.1169.686.800110G150 A151 L152 D156G150-Q154 PolarHBondContact O-NE2 3.14Å; A151-Q154 PolarHBondContact O-N 2.91Å; L152-Q154 PolarHBondContact O-N 3.03Å; Q154-D156 VanDerWaalsContact C-N 3.25Å; Q154-D156 PolarHBondContact O-N 3.24Å
155H55.4Low73.1Confident103 Ų10384 Ų8448%0.47744%0.442SS..  trans-70.3-22.4-176.3-134.8-114.4000113K132 L152 C153 L157K132-H155 WeakPolarHBondContact CE-O 3.43Å; K132-H155 PolarHBondContact NZ-O 2.91Å; L152-H155 WeakPolarHBondContact O-CA 3.38Å; L152-H155 WeakPolarHBondContact O-CB 3.23Å; L152-H155 PolarHBondContact O-CD2 2.9Å; L152-H155 VanDerWaalsContact O-CD2 3.32Å; L152-H155 PolarHBondContact O-N 3.46Å; L152-H155 VanDerWaalsContact O-N 3.12Å; C153-H155 PolarHBondContact O-N 3.11Å; H155-L157 PolarHBondContact O-N 3.45Å
156D65.4Low74.3Confident136 Ų13678.3 Ų78.373%0.72741%0.414SS*.SBendtrans-78.3122.8169.9-68.5-34.4000109.4Q154 I158Q154-D156 VanDerWaalsContact C-N 3.25Å; Q154-D156 PolarHBondContact O-N 3.24Å; D156-I158 PolarHBondContact O-N 2.92Å
157L75.7Confident75.7Confident79 Ų7980.3 Ų80.341%0.41443%0.426SS..  trans-67.2118.7-179.8-78167.7000109T126 K132 H155 R159T126-L157 HydrophobicContact CG2-CB 3.52Å; T126-L157 HydrophobicContact CG2-CD1 4.21Å; T126-L157 HydrophobicContact CG2-CD2 4.43Å; T126-L157 HydrophobicContact CG2-CG 4.27Å; K132-L157 HydrophobicContact CD-CD1 4.17Å; K132-L157 HydrophobicContact CD-CD2 4.02Å; K132-L157 HydrophobicContact CD-CG 3.99Å; H155-L157 PolarHBondContact O-N 3.45Å; L157-R159 PolarHBondContact O-N 3.03Å
158I83Confident77.1Confident86 Ų8684.3 Ų84.344%0.44144%0.443SS..  trans-65.8106.3-175.2-55.7175.7000109.3I127 D156 V160I127-I158 HydrophobicContact CB-CB 4.45Å; I127-I158 HydrophobicContact CD1-CB 4.24Å; I127-I158 HydrophobicContact CD1-CG2 4.1Å; I127-I158 PolarHBondContact N-O 2.73Å; D156-I158 PolarHBondContact O-N 2.92Å; I158-V160 HydrophobicContact CG2-CG2 4.15Å
159R88.6Confident78.3Confident146 Ų14684.1 Ų84.155%0.55143%0.434SS*.EExtended strand (participates in β ladder)trans-80.9115.9169.1-178.8179.8176.6-117-1.2108.7S124 F125 L157S124-R159 VanDerWaalsContact CB-NE 3.32Å; S124-R159 VanDerWaalsContact CB-NH2 3.35Å; S124-R159 VanDerWaalsContact OG-CZ 3.28Å; S124-R159 PolarHBondContact OG-NE 2.84Å; S124-R159 PolarHBondContact OG-NH2 3.32Å; F125-R159 CarbonylContact O-C 3.39Å; F125-R159 WeakPolarHBondContact O-CA 3.36Å; L157-R159 PolarHBondContact O-N 3.03Å
160V89.7Confident79.7Confident44 Ų4485.6 Ų85.627%0.26744%0.441SS..EExtended strand (participates in β ladder)trans-98.6123.9174.4176.30000108.6S124 F125 I127 I158S124-V160 CarbonylContact C-O 3.55Å; S124-V160 WeakPolarHBondContact CA-O 3.37Å; S124-V160 VanDerWaalsContact CB-O 3.32Å; S124-V160 WeakPolarHBondContact CB-O 3.45Å; F125-V160 HydrophobicContact CE1-CB 4.04Å; F125-V160 HydrophobicContact CE1-CG1 3.98Å; F125-V160 HydrophobicContact CE2-CB 4.41Å; F125-V160 HydrophobicContact CZ-CB 3.98Å; F125-V160 HydrophobicContact CZ-CG1 4.14Å; F125-V160 HydrophobicContact CZ-CG2 4.39Å; F125-V160 PolarHBondContact N-O 3.45Å; F125-V160 PolarHBondContact O-N 2.95Å; I127-V160 HydrophobicContact CD1-CG2 3.65Å; I127-V160 HydrophobicContact CG1-CG2 3.91Å; I158-V160 HydrophobicContact CG2-CG2 4.15Å
161V91.1Very high81Confident54 Ų5487.4 Ų87.433%0.32744%0.443SS..EExtended strand (participates in β ladder)trans-79.9125.8161.9177.60000107V122 D164V122-V161 HydrophobicContact CG1-CB 4.45Å; V122-V161 HydrophobicContact CG1-CG1 3.78Å; V122-V161 HydrophobicContact CG1-CG2 3.79Å; V161-D164 HydrophobicContact CG1-CB 3.95Å
162Y90.6Very high82.5Confident107 Ų10787.4 Ų87.442%0.4244%0.439SS..EExtended strand (participates in β ladder)trans-115.3-10-179.271.9-90.1000112.9L123 F125 L186L123-Y162 HydrophobicContact CB-CD1 4.39Å; L123-Y162 HydrophobicContact CB-CE1 3.85Å; L123-Y162 HydrophobicContact CB-CE2 4.08Å; L123-Y162 HydrophobicContact CD1-CE2 4.48Å; L123-Y162 VanDerWaalsContact O-CD1 3.28Å; L123-Y162 WeakPolarHBondContact O-CD1 3.44Å; L123-Y162 PolarHBondContact O-N 3.34Å; F125-Y162 AromaticContact CD1-CD1 3.66Å; F125-Y162 HydrophobicContact CD1-CD1 3.66Å; F125-Y162 HydrophobicContact CD1-CE1 4.27Å; F125-Y162 HydrophobicContact CD1-CG 4.3Å; F125-Y162 HydrophobicContact CE1-CD1 4.29Å; Y162-L186 HydrophobicContact CD2-CD2 4.45Å; Y162-L186 HydrophobicContact CE2-CD1 4.09Å; Y162-L186 HydrophobicContact CE2-CD2 3.99Å
163S89.6Confident84.1Confident8 Ų887 Ų876%0.05644%0.439CS..EExtended strand (participates in β ladder)trans-150117.9162.8155.20000106.8L123 H166L123-S163 PolarHBondContact N-O 3.27Å; L123-S163 PolarHBondContact O-N 3.41Å; S163-H166 PolarHBondContact OG-CD2 2.7Å; S163-H166 VanDerWaalsContact OG-CD2 3.31Å; S163-H166 PolarHBondContact OG-NE2 3.11Å
164D84.4Confident85.6Confident100 Ų10085.7 Ų85.754%0.53544%0.436SS..  trans-87.9-166.1-168.9-159.54.8000112.7V161 H166V161-D164 HydrophobicContact CG1-CB 3.95Å; D164-H166 VanDerWaalsContact C-N 3.33Å; D164-H166 PolarHBondContact O-CD2 3.13Å; D164-H166 PolarHBondContact O-N 2.76Å
165L87.4Confident87.4Confident99 Ų9989 Ų8952%0.51845%0.451SS..  trans-61.981.6174.7-66.2170000112.7N120 V122N120-L165 HydrophobicContact CB-CD2 3.54Å; V122-L165 HydrophobicContact CG2-CD2 3.38Å; V122-L165 HydrophobicContact CG2-CG 3.74Å
166H91.7Very high89.3Confident27 Ų2784.5 Ų84.513%0.12543%0.431CS..PPolyproline II helixtrans-61.1128.2173.2-75.5-81000111.9Y109 I113 N120 S163 D164 F183Y109-H166 HydrophobicContact CE2-CB 4.5Å; I113-H166 HydrophobicContact CB-CB 4.07Å; I113-H166 HydrophobicContact CG2-CB 3.46Å; I113-H166 VanDerWaalsContact CG2-CB 3.46Å; N120-H166 PolarHBondContact ND2-O 2.99Å; S163-H166 PolarHBondContact OG-CD2 2.7Å; S163-H166 VanDerWaalsContact OG-CD2 3.31Å; S163-H166 PolarHBondContact OG-NE2 3.11Å; D164-H166 VanDerWaalsContact C-N 3.33Å; D164-H166 PolarHBondContact O-CD2 3.13Å; D164-H166 PolarHBondContact O-N 2.76Å; H166-F183 AromaticContact CD2-CD2 3.46Å; H166-F183 VanDerWaalsContact CD2-CD2 3.46Å; H166-F183 WeakPolarHBondContact CD2-CD2 3.31Å; H166-F183 AromaticContact CD2-CE2 3.67Å; H166-F183 AromaticContact CE1-CD2 3.99Å; H166-F183 AromaticContact NE2-CD2 3.36Å; H166-F183 WeakPolarHBondContact NE2-CD2 3.31Å; H166-F183 AromaticContact NE2-CE2 3.98Å
167P93.3Very high90.7Very high54 Ų5480.2 Ų80.235%0.35140%0.404SS..PPolyproline II helixtrans-82.6141.6179.332.6-34.2000111.9Y109 R169Y109-P167 PolarHBondContact OH-O 3.2Å; Y109-P167 VanDerWaalsContact OH-O 3.07Å; P167-R169 WeakPolarHBondContact O-CG 3.29Å; P167-R169 PolarHBondContact O-N 2.93Å
168Q94Very high91.7Very high149 Ų14977.2 Ų77.270%0.69639%0.388SS*.PPolyproline II helixtrans-57.3137.6174.1-164.7-175.7-7.100111.3N110 I113N110-Q168 HydrophobicContact CB-CG 4.34Å; N110-Q168 VanDerWaalsContact OD1-CG 3.23Å; N110-Q168 WeakPolarHBondContact OD1-CG 3.37Å; I113-Q168 HydrophobicContact CD1-CB 4.14Å
169R95.3Very high92.3Very high69 Ų6975.9 Ų75.926%0.2638%0.38SS..  trans-121.2128.5-176.5-60-51.1-161.7166.8-2.5111.2L106 Y109 N110 P167 N176 E179 V180L106-R169 HydrophobicContact CD1-CB 3.71Å; L106-R169 WeakPolarHBondContact CD2-O 3.37Å; L106-R169 WeakPolarHBondContact CG-O 3.19Å; Y109-R169 HydrophobicContact CE1-CB 4.14Å; Y109-R169 HydrophobicContact CE1-CG 3.71Å; N110-R169 PolarHBondContact ND2-O 3Å; N110-R169 PolarHBondContact OD1-N 3.22Å; P167-R169 WeakPolarHBondContact O-CG 3.29Å; P167-R169 PolarHBondContact O-N 2.93Å; R169-N176 WeakPolarHBondContact CD-ND2 3.48Å; R169-E179 IonicContact CZ-OE1 3.49Å; R169-E179 IonicContact CZ-OE2 3.78Å; R169-E179 IonicContact NE-OE1 2.76Å; R169-E179 PolarHBondContact NE-OE1 3.1Å; R169-E179 IonicContact NH2-OE1 2.76Å; R169-E179 PolarHBondContact NH2-OE1 3.41Å; R169-E179 IonicContact NH2-OE2 3.81Å; R169-E179 PolarHBondContact NH2-OE2 2.86Å; R169-V180 HydrophobicContact CG-CG2 4.06Å
170E94.5Very high92.7Very high190 Ų19069 Ų6989%0.88835%0.354SS*.SBendtrans-89.5-22.8178.4-62.6-177.5160.900113.7L106L106-E170 VanDerWaalsContact CD2-C 3.46Å; L106-E170 WeakPolarHBondContact CD2-O 3.49Å
171T94.4Very high93Very high84 Ų8466.9 Ų66.952%0.51534%0.341SS..SBendtrans-151.7158.2179.4-169.70000111.9T173 N176T171-T173 HydrophobicContact CG2-CG2 4.22Å; T171-N176 PolarHBondContact O-ND2 3.17Å
172F93.8Very high93.3Very high21 Ų2164.4 Ų64.49%0.09233%0.326CS..  trans-79.3136170-87.1-76.3000110.9Y86 E102 L105 L106 R177 V180Y86-F172 HydrophobicContact CE1-CD1 4.41Å; Y86-F172 HydrophobicContact CE1-CE1 4.29Å; Y86-F172 HydrophobicContact CE2-CD1 4.48Å; Y86-F172 HydrophobicContact CE2-CD2 4.33Å; Y86-F172 HydrophobicContact CE2-CG 4.24Å; Y86-F172 AromaticContact CZ-CD1 3.84Å; Y86-F172 VanDerWaalsContact OH-CD1 3.32Å; Y86-F172 WeakPolarHBondContact OH-CD1 3.28Å; E102-F172 HydrophobicContact CB-CD2 3.87Å; E102-F172 HydrophobicContact CB-CE2 4.28Å; E102-F172 HydrophobicContact CG-CD2 4.05Å; E102-F172 WeakPolarHBondContact O-CE2 3.34Å; L105-F172 HydrophobicContact CB-CE2 4.06Å; L105-F172 HydrophobicContact CB-CZ 4.03Å; L106-F172 HydrophobicContact CB-CD2 4.45Å; L106-F172 HydrophobicContact CB-CE2 3.98Å; L106-F172 HydrophobicContact CD1-CD2 4.37Å; L106-F172 HydrophobicContact CD1-CE2 4.2Å; L106-F172 HydrophobicContact CD1-CZ 4.47Å; F172-R177 HydrophobicContact CD1-CB 3.74Å; F172-R177 HydrophobicContact CE1-CB 4.18Å; F172-V180 HydrophobicContact CE1-CB 3.87Å; F172-V180 HydrophobicContact CE1-CG1 3.61Å; F172-V180 HydrophobicContact CE1-CG2 4.44Å; F172-V180 HydrophobicContact CZ-CB 4.34Å; F172-V180 HydrophobicContact CZ-CG1 3.55Å
173T92.9Very high93.6Very high56 Ų5659.4 Ų59.434%0.34431%0.307SS..  trans-130.6165.6176.672.30000109.7T171 Q175 N176 R177T171-T173 HydrophobicContact CG2-CG2 4.22Å; T173-Q175 PolarHBondContact O-N 3.48Å; T173-Q175 VanDerWaalsContact O-N 3.09Å; T173-Q175 PolarHBondContact OG1-N 3.08Å; T173-N176 WeakPolarHBondContact CA-OD1 3.37Å; T173-N176 WeakPolarHBondContact CB-OD1 3.18Å; T173-N176 PolarHBondContact N-OD1 3.15Å; T173-N176 PolarHBondContact O-OD1 3.31Å; T173-N176 VanDerWaalsContact OG1-CG 3.27Å; T173-N176 PolarHBondContact OG1-N 2.92Å; T173-N176 VanDerWaalsContact OG1-N 3.07Å; T173-N176 PolarHBondContact OG1-OD1 2.96Å; T173-R177 WeakPolarHBondContact O-CB 3.37Å; T173-R177 WeakPolarHBondContact O-CG 3.42Å; T173-R177 PolarHBondContact O-N 3.33Å
174A91.6Very high94Very high76 Ų7659 Ų5963%0.62830%0.304SS*.THydrogen-bonded Turntrans-59.9-21.817600000113.7R177A174-R177 PolarHBondContact O-NE 3.33Å
175Q93Very high94.7Very high181 Ų18154.3 Ų54.385%0.84628%0.279SS*.THydrogen-bonded Turntrans-92.2-60.7-177.4-66.7172.4-22.700112.2T173 R177T173-Q175 PolarHBondContact O-N 3.48Å; T173-Q175 VanDerWaalsContact O-N 3.09Å; T173-Q175 PolarHBondContact OG1-N 3.08Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.36Å
176N94.8Very high95.1Very high8 Ų850.6 Ų50.64%0.04326%0.259CS..THydrogen-bonded Turntrans-74.3-12.5-174.472.8-17.8000114.8R169 T171 T173 F178 E179 V180R169-N176 WeakPolarHBondContact CD-ND2 3.48Å; T171-N176 PolarHBondContact O-ND2 3.17Å; T173-N176 WeakPolarHBondContact CA-OD1 3.37Å; T173-N176 WeakPolarHBondContact CB-OD1 3.18Å; T173-N176 PolarHBondContact N-OD1 3.15Å; T173-N176 PolarHBondContact O-OD1 3.31Å; T173-N176 VanDerWaalsContact OG1-CG 3.27Å; T173-N176 PolarHBondContact OG1-N 2.92Å; T173-N176 VanDerWaalsContact OG1-N 3.07Å; T173-N176 PolarHBondContact OG1-OD1 2.96Å; N176-F178 VanDerWaalsContact C-N 3.31Å; N176-F178 PolarHBondContact O-N 3.35Å; N176-E179 WeakPolarHBondContact O-CB 3.15Å; N176-E179 PolarHBondContact O-N 2.93Å; N176-V180 WeakPolarHBondContact O-CG2 2.99Å; N176-V180 PolarHBondContact O-N 3.29Å
177R94.9Very high95.4Very high47 Ų4749.6 Ų49.618%0.17726%0.256CS..Hα-helixtrans-57-39.7-176.260.7-174.6164.6166.8-3.5113.6F172 T173 A174 Q175 V180 L181F172-R177 HydrophobicContact CD1-CB 3.74Å; F172-R177 HydrophobicContact CE1-CB 4.18Å; T173-R177 WeakPolarHBondContact O-CB 3.37Å; T173-R177 WeakPolarHBondContact O-CG 3.42Å; T173-R177 PolarHBondContact O-N 3.33Å; A174-R177 PolarHBondContact O-NE 3.33Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.36Å; R177-V180 PolarHBondContact O-N 2.99Å; R177-L181 WeakPolarHBondContact O-CB 3.32Å; R177-L181 WeakPolarHBondContact O-CG 3.35Å; R177-L181 PolarHBondContact O-N 3Å
178F96.6Very high95.6Very high16 Ų1647 Ų477%0.0724%0.239CC..Hα-helixtrans-81-27.8-179.1-82.7-68.6000113.9L87 N176 L181 S182 V231 L232 D233 F236L87-F178 HydrophobicContact CD2-CE1 4.36Å; L87-F178 HydrophobicContact CD2-CZ 3.82Å; N176-F178 VanDerWaalsContact C-N 3.31Å; N176-F178 PolarHBondContact O-N 3.35Å; F178-L181 HydrophobicContact CD1-CB 4.39Å; F178-L181 HydrophobicContact CD1-CD1 4.15Å; F178-L181 HydrophobicContact CE1-CD1 3.92Å; F178-L181 HydrophobicContact CZ-CD1 4.42Å; F178-L181 PolarHBondContact O-N 2.97Å; F178-S182 WeakPolarHBondContact O-CB 3.33Å; F178-S182 PolarHBondContact O-N 3.32Å; F178-S182 PolarHBondContact O-OG 3.08Å; F178-V231 WeakPolarHBondContact CE2-O 3.46Å; F178-V231 WeakPolarHBondContact CZ-O 3.25Å; F178-L232 HydrophobicContact CE1-CD2 4.05Å; F178-L232 HydrophobicContact CZ-CD2 3.95Å; F178-D233 HydrophobicContact CB-CB 3.54Å; F178-D233 HydrophobicContact CD1-CB 3.72Å; F178-D233 HydrophobicContact CD2-CB 4.07Å; F178-D233 HydrophobicContact CG-CB 3.48Å; F178-D233 VanDerWaalsContact CG-CB 3.48Å; F178-F236 HydrophobicContact CD1-CB 3.83Å; F178-F236 HydrophobicContact CD1-CD1 4.48Å; F178-F236 HydrophobicContact CD1-CD2 4.39Å; F178-F236 AromaticContact CD1-CG 3.98Å; F178-F236 HydrophobicContact CD1-CG 3.98Å; F178-F236 HydrophobicContact CE1-CB 4.23Å; F178-F236 HydrophobicContact CE1-CD1 4.04Å; F178-F236 HydrophobicContact CE1-CD2 4.46Å; F178-F236 AromaticContact CE1-CG 3.98Å; F178-F236 HydrophobicContact CE1-CG 3.98Å
179E95.4Very high95.8Very high58 Ų5840.8 Ų40.827%0.27121%0.21SC..Hα-helixtrans-56.7-50.3164.6171.9-164.3110.100110.5Y109 R169 N176 F183Y109-E179 PolarHBondContact OH-OE1 3.19Å; R169-E179 IonicContact CZ-OE1 3.49Å; R169-E179 IonicContact CZ-OE2 3.78Å; R169-E179 IonicContact NE-OE1 2.76Å; R169-E179 PolarHBondContact NE-OE1 3.1Å; R169-E179 IonicContact NH2-OE1 2.76Å; R169-E179 PolarHBondContact NH2-OE1 3.41Å; R169-E179 IonicContact NH2-OE2 3.81Å; R169-E179 PolarHBondContact NH2-OE2 2.86Å; N176-E179 WeakPolarHBondContact O-CB 3.15Å; N176-E179 PolarHBondContact O-N 2.93Å; E179-F183 WeakPolarHBondContact O-CB 3.47Å; E179-F183 PolarHBondContact O-N 3.4Å; E179-F183 VanDerWaalsContact O-N 3.11Å
180V97Very high95.8Very high0 Ų042.2 Ų42.20%023%0.23CC..Hα-helixtrans-63-49.2177.1172.90000111.9L106 Y109 R169 F172 N176 R177 F183 L184L106-V180 HydrophobicContact CD1-CG1 4.49Å; L106-V180 HydrophobicContact CD1-CG2 4.36Å; Y109-V180 HydrophobicContact CD1-CG2 4.17Å; Y109-V180 HydrophobicContact CD2-CB 4.02Å; Y109-V180 HydrophobicContact CD2-CG1 3.82Å; Y109-V180 HydrophobicContact CD2-CG2 3.97Å; Y109-V180 HydrophobicContact CE1-CG2 4.05Å; Y109-V180 HydrophobicContact CE2-CB 4.19Å; Y109-V180 HydrophobicContact CE2-CG1 4.48Å; Y109-V180 HydrophobicContact CE2-CG2 3.83Å; Y109-V180 HydrophobicContact CG-CB 4.39Å; Y109-V180 HydrophobicContact CG-CG1 3.85Å; Y109-V180 HydrophobicContact CG-CG2 4.13Å; R169-V180 HydrophobicContact CG-CG2 4.06Å; F172-V180 HydrophobicContact CE1-CB 3.87Å; F172-V180 HydrophobicContact CE1-CG1 3.61Å; F172-V180 HydrophobicContact CE1-CG2 4.44Å; F172-V180 HydrophobicContact CZ-CB 4.34Å; F172-V180 HydrophobicContact CZ-CG1 3.55Å; N176-V180 WeakPolarHBondContact O-CG2 2.99Å; N176-V180 PolarHBondContact O-N 3.29Å; R177-V180 PolarHBondContact O-N 2.99Å; V180-F183 PolarHBondContact O-N 3.15Å; V180-L184 HydrophobicContact CG1-CD1 3.81Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 WeakPolarHBondContact O-CB 3.31Å; V180-L184 VanDerWaalsContact O-CG 3.23Å; V180-L184 WeakPolarHBondContact O-CG 3.26Å; V180-L184 PolarHBondContact O-N 2.97Å
181L97.6Very high95.9Very high0 Ų033.7 Ų33.70%019%0.193CC..Hα-helixtrans-68.2-39.2-178.5-66.9175.7000112.6M83 Y86 L87 L105 R177 F178 L184 M185 F236M83-L181 HydrophobicContact CE-CB 3.59Å; M83-L181 HydrophobicContact CE-CD2 3.37Å; M83-L181 HydrophobicContact CE-CG 4.01Å; M83-L181 WeakPolarHBondContact CE-O 3.47Å; M83-L181 HydrophobicContact CG-CD2 4.02Å; Y86-L181 HydrophobicContact CD1-CD1 4.1Å; Y86-L181 HydrophobicContact CD1-CD2 4.08Å; Y86-L181 HydrophobicContact CE1-CD1 3.93Å; Y86-L181 HydrophobicContact CE1-CD2 4.34Å; Y86-L181 HydrophobicContact CE1-CG 4.46Å; L87-L181 HydrophobicContact CD1-CD1 4.27Å; L87-L181 HydrophobicContact CD2-CD1 3.75Å; L87-L181 HydrophobicContact CG-CD1 4.11Å; L105-L181 HydrophobicContact CD1-CD2 4.43Å; R177-L181 WeakPolarHBondContact O-CB 3.32Å; R177-L181 WeakPolarHBondContact O-CG 3.35Å; R177-L181 PolarHBondContact O-N 3Å; F178-L181 HydrophobicContact CD1-CB 4.39Å; F178-L181 HydrophobicContact CD1-CD1 4.15Å; F178-L181 HydrophobicContact CE1-CD1 3.92Å; F178-L181 HydrophobicContact CZ-CD1 4.42Å; F178-L181 PolarHBondContact O-N 2.97Å; L181-L184 PolarHBondContact O-N 2.81Å; L181-M185 PolarHBondContact O-N 3.48Å; L181-F236 HydrophobicContact CB-CD2 4.04Å; L181-F236 HydrophobicContact CB-CE2 4.16Å
182S97.3Very high96Very high2 Ų230.3 Ų30.31%0.01417%0.172CC..Hα-helixtrans-62.5-44.5175.1-69.50000111.3F178 M185 L186 F236F178-S182 WeakPolarHBondContact O-CB 3.33Å; F178-S182 PolarHBondContact O-N 3.32Å; F178-S182 PolarHBondContact O-OG 3.08Å; S182-M185 PolarHBondContact O-N 3.31Å; S182-L186 PolarHBondContact O-N 3.11Å; S182-F236 VanDerWaalsContact OG-CA 3.31Å; S182-F236 WeakPolarHBondContact OG-CA 3.46Å; S182-F236 WeakPolarHBondContact OG-CB 3.41Å; S182-F236 PolarHBondContact OG-N 2.88Å; S182-F236 VanDerWaalsContact OG-N 3.15Å
183F97.1Very high96.2Very high3 Ų333.7 Ų33.71%0.01319%0.193CC..Hα-helixtrans-64.8-40.8176.2-173.3-102.5000112.4Y109 E112 I113 L123 H166 E179 V180 M185 L186 C187Y109-F183 HydrophobicContact CD2-CB 4.16Å; Y109-F183 AromaticContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CG 4.28Å; Y109-F183 HydrophobicContact CE2-CB 4.05Å; Y109-F183 AromaticContact CE2-CD1 3.97Å; Y109-F183 HydrophobicContact CE2-CD1 3.97Å; Y109-F183 HydrophobicContact CE2-CG 4.22Å; E112-F183 HydrophobicContact CB-CE1 3.77Å; E112-F183 HydrophobicContact CB-CZ 4.4Å; E112-F183 WeakPolarHBondContact O-CZ 3.42Å; I113-F183 HydrophobicContact CB-CE1 4.41Å; I113-F183 HydrophobicContact CG2-CD1 3.88Å; I113-F183 HydrophobicContact CG2-CE1 3.47Å; I113-F183 VanDerWaalsContact CG2-CE1 3.47Å; I113-F183 HydrophobicContact CG2-CZ 3.87Å; L123-F183 HydrophobicContact CD1-CE2 4.11Å; H166-F183 AromaticContact CD2-CD2 3.46Å; H166-F183 VanDerWaalsContact CD2-CD2 3.46Å; H166-F183 WeakPolarHBondContact CD2-CD2 3.31Å; H166-F183 AromaticContact CD2-CE2 3.67Å; H166-F183 AromaticContact CE1-CD2 3.99Å; H166-F183 AromaticContact NE2-CD2 3.36Å; H166-F183 WeakPolarHBondContact NE2-CD2 3.31Å; H166-F183 AromaticContact NE2-CE2 3.98Å; E179-F183 WeakPolarHBondContact O-CB 3.47Å; E179-F183 PolarHBondContact O-N 3.4Å; E179-F183 VanDerWaalsContact O-N 3.11Å; V180-F183 PolarHBondContact O-N 3.15Å; F183-M185 PolarHBondContact O-N 3.38Å; F183-L186 WeakPolarHBondContact O-CB 3.48Å; F183-L186 PolarHBondContact O-N 3.5Å; F183-L186 VanDerWaalsContact O-N 3.15Å; F183-C187 PolarHBondContact O-N 2.79Å; F183-C187 PolarHBondContact O-SG 3.46Å
184L97.9Very high96.3Very high0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-63.1-39.6174.4-73.7172.1000112.5L79 M83 L105 I108 V180 L181 C187 Y188L79-L184 HydrophobicContact CD2-CB 4.19Å; L79-L184 VanDerWaalsContact CD2-O 3.32Å; L79-L184 WeakPolarHBondContact CD2-O 3.38Å; M83-L184 HydrophobicContact CE-CB 4.03Å; L105-L184 HydrophobicContact CB-CD1 4.01Å; L105-L184 HydrophobicContact CD2-CD1 4.1Å; I108-L184 HydrophobicContact CB-CD2 4.03Å; I108-L184 HydrophobicContact CG2-CD2 3.51Å; V180-L184 HydrophobicContact CG1-CD1 3.81Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 WeakPolarHBondContact O-CB 3.31Å; V180-L184 VanDerWaalsContact O-CG 3.23Å; V180-L184 WeakPolarHBondContact O-CG 3.26Å; V180-L184 PolarHBondContact O-N 2.97Å; L181-L184 PolarHBondContact O-N 2.81Å; L184-C187 WeakPolarHBondContact O-CB 3.16Å; L184-C187 PolarHBondContact O-N 2.92Å; L184-Y188 PolarHBondContact O-N 3.4Å
185M98.1Very high96.5Very high0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-65.6-36.2171.4-85.2-54.6-54.600112.5M83 L181 S182 F183 Y188 N189 L203 M206 F236 Q239M83-M185 HydrophobicContact CE-CG 3.88Å; M83-M185 HydrophobicContact SD-CG 4.11Å; M83-M185 HydrophobicContact SD-SD 3.97Å; L181-M185 PolarHBondContact O-N 3.48Å; S182-M185 PolarHBondContact O-N 3.31Å; F183-M185 PolarHBondContact O-N 3.38Å; M185-Y188 HydrophobicContact CE-CD1 4.14Å; M185-Y188 WeakPolarHBondContact O-CB 3.41Å; M185-Y188 PolarHBondContact O-N 2.95Å; M185-N189 WeakPolarHBondContact O-CB 3.23Å; M185-N189 PolarHBondContact O-N 3.46Å; M185-N189 PolarHBondContact O-ND2 2.96Å; M185-L203 HydrophobicContact CE-CD1 3.62Å; M185-L203 HydrophobicContact SD-CD1 4.26Å; M185-M206 HydrophobicContact SD-CE 4.08Å; M185-F236 HydrophobicContact CG-CD2 4.06Å; M185-F236 HydrophobicContact CG-CE2 3.57Å; M185-F236 HydrophobicContact CG-CZ 4.42Å; M185-Q239 HydrophobicContact CB-CB 3.76Å
186L96.8Very high96.6Very high21 Ų2128.3 Ų28.311%0.1115%0.151CC..Hα-helixtrans-64.1-41.8173176.859000111.5L123 Y162 S182 F183 Y188 N189 S190L123-L186 HydrophobicContact CD1-CD2 3.75Å; L123-L186 HydrophobicContact CD1-CG 4.49Å; Y162-L186 HydrophobicContact CD2-CD2 4.45Å; Y162-L186 HydrophobicContact CE2-CD1 4.09Å; Y162-L186 HydrophobicContact CE2-CD2 3.99Å; S182-L186 PolarHBondContact O-N 3.11Å; F183-L186 WeakPolarHBondContact O-CB 3.48Å; F183-L186 PolarHBondContact O-N 3.5Å; F183-L186 VanDerWaalsContact O-N 3.15Å; L186-Y188 PolarHBondContact O-N 2.92Å; L186-N189 PolarHBondContact O-N 3Å; L186-S190 PolarHBondContact O-N 3.1Å
187C96.3Very high96.7Very high7 Ų730.2 Ų30.25%0.04717%0.168CC..Hα-helixtrans-59.6-44.4172-73.10000111.7F183 L184 S190 A191F183-C187 PolarHBondContact O-N 2.79Å; F183-C187 PolarHBondContact O-SG 3.46Å; L184-C187 WeakPolarHBondContact O-CB 3.16Å; L184-C187 PolarHBondContact O-N 2.92Å; C187-S190 PolarHBondContact O-N 3.34Å; C187-S190 PolarHBondContact O-OG 3.12Å; C187-A191 PolarHBondContact O-N 3.26Å
188Y98.3Very high96.8Very high0 Ų030 Ų300%017%0.174CC..Hα-helixtrans-59.2-49.4173.2-179.4-87.5000111.9L76 L79 P80 L184 M185 L186 S190 A191 I192 M195 S199 L203L76-Y188 WeakPolarHBondContact O-CD2 3.42Å; L79-Y188 HydrophobicContact CB-CD2 4.33Å; L79-Y188 HydrophobicContact CD2-CD2 4.39Å; L79-Y188 HydrophobicContact CD2-CG 4.49Å; P80-Y188 HydrophobicContact CG-CD2 4.34Å; P80-Y188 HydrophobicContact CG-CE2 3.84Å; L184-Y188 PolarHBondContact O-N 3.4Å; M185-Y188 HydrophobicContact CE-CD1 4.14Å; M185-Y188 WeakPolarHBondContact O-CB 3.41Å; M185-Y188 PolarHBondContact O-N 2.95Å; L186-Y188 PolarHBondContact O-N 2.92Å; Y188-S190 VanDerWaalsContact C-N 3.29Å; Y188-S190 PolarHBondContact O-N 2.7Å; Y188-A191 CarbonylContact O-C 3.52Å; Y188-A191 PolarHBondContact O-N 2.97Å; Y188-I192 HydrophobicContact CD1-CD1 4.28Å; Y188-I192 HydrophobicContact CD1-CG1 4.4Å; Y188-I192 HydrophobicContact CE1-CD1 3.77Å; Y188-I192 HydrophobicContact CE1-CG1 3.82Å; Y188-I192 WeakPolarHBondContact O-CA 3.1Å; Y188-I192 PolarHBondContact O-N 3.15Å; Y188-M195 HydrophobicContact CE2-CG 3.94Å; Y188-M195 HydrophobicContact CE2-SD 4.23Å; Y188-S199 WeakPolarHBondContact CE2-OG 3.34Å; Y188-S199 PolarHBondContact OH-OG 3.38Å; Y188-L203 HydrophobicContact CE1-CD1 4.39Å; Y188-L203 HydrophobicContact CE1-CD2 4Å
189N97.8Very high96.8Very high18 Ų1829.3 Ų29.310%0.09617%0.171CC..Hα-helixtrans-58.3-38.3178.4-73.6-21.2000112M185 L186 A191 I192 Q239M185-N189 WeakPolarHBondContact O-CB 3.23Å; M185-N189 PolarHBondContact O-N 3.46Å; M185-N189 PolarHBondContact O-ND2 2.96Å; L186-N189 PolarHBondContact O-N 3Å; N189-A191 PolarHBondContact O-N 3.23Å; N189-I192 WeakPolarHBondContact O-CB 3.25Å; N189-I192 VanDerWaalsContact O-CG2 3.24Å; N189-I192 WeakPolarHBondContact O-CG2 3.44Å; N189-I192 PolarHBondContact O-N 3.38Å; N189-Q239 PolarHBondContact ND2-O 3.37Å; N189-Q239 PolarHBondContact ND2-OE1 3.17Å
190S96Very high97Very high98 Ų9827.1 Ų27.169%0.68516%0.16SC*.Hα-helixtrans-66.2-22.5176.677.20000114.2L186 C187 Y188L186-S190 PolarHBondContact O-N 3.1Å; C187-S190 PolarHBondContact O-N 3.34Å; C187-S190 PolarHBondContact O-OG 3.12Å; Y188-S190 VanDerWaalsContact C-N 3.29Å; Y188-S190 PolarHBondContact O-N 2.7Å
191A96.3Very high97Very high12 Ų1229.9 Ų29.910%0.09917%0.173CC..Hα-helixtrans-108.83.1179.200000113.5L76 C187 Y188 N189 V193 Y194 M195L76-A191 HydrophobicContact CD1-CB 3.96Å; C187-A191 PolarHBondContact O-N 3.26Å; Y188-A191 CarbonylContact O-C 3.52Å; Y188-A191 PolarHBondContact O-N 2.97Å; N189-A191 PolarHBondContact O-N 3.23Å; A191-V193 VanDerWaalsContact C-N 3.28Å; A191-V193 PolarHBondContact O-N 3.07Å; A191-V193 VanDerWaalsContact O-N 3.11Å; A191-Y194 WeakPolarHBondContact O-CD2 3.39Å; A191-Y194 PolarHBondContact O-N 3.5Å; A191-M195 HydrophobicContact CB-CE 3.55Å
192I97.5Very high97Very high13 Ų1330 Ų307%0.06717%0.174CC..G310 helixtrans-57.4-36.6-161.9-163.3164.3000114.1Y188 N189 Y194 M195 Y200 Y246Y188-I192 HydrophobicContact CD1-CD1 4.28Å; Y188-I192 HydrophobicContact CD1-CG1 4.4Å; Y188-I192 HydrophobicContact CE1-CD1 3.77Å; Y188-I192 HydrophobicContact CE1-CG1 3.82Å; Y188-I192 WeakPolarHBondContact O-CA 3.1Å; Y188-I192 PolarHBondContact O-N 3.15Å; N189-I192 WeakPolarHBondContact O-CB 3.25Å; N189-I192 VanDerWaalsContact O-CG2 3.24Å; N189-I192 WeakPolarHBondContact O-CG2 3.44Å; N189-I192 PolarHBondContact O-N 3.38Å; I192-Y194 PolarHBondContact O-N 3.38Å; I192-M195 WeakPolarHBondContact O-CB 3.42Å; I192-M195 WeakPolarHBondContact O-CG 3.46Å; I192-M195 PolarHBondContact O-N 3.25Å; I192-Y200 HydrophobicContact CG1-CD1 4.48Å; I192-Y200 HydrophobicContact CG1-CE1 3.87Å; I192-Y200 PolarHBondContact O-OH 2.9Å; I192-Y246 HydrophobicContact CB-CD1 4.42Å; I192-Y246 HydrophobicContact CD1-CD1 3.84Å; I192-Y246 HydrophobicContact CD1-CG 4.03Å; I192-Y246 HydrophobicContact CG1-CD1 3.67Å; I192-Y246 HydrophobicContact CG1-CE1 4.21Å; I192-Y246 HydrophobicContact CG1-CG 4.22Å; I192-Y246 HydrophobicContact CG2-CD1 3.98Å; I192-Y246 HydrophobicContact CG2-CD2 4.13Å; I192-Y246 HydrophobicContact CG2-CE1 4.23Å; I192-Y246 HydrophobicContact CG2-CE2 4.39Å; I192-Y246 HydrophobicContact CG2-CG 3.93Å
193V97Very high97.1Very high91 Ų9129.9 Ų29.955%0.55217%0.173SC*.G310 helixtrans-57.1-22.3178.6-175.40000113.3A191 Y246A191-V193 VanDerWaalsContact C-N 3.28Å; A191-V193 PolarHBondContact O-N 3.07Å; A191-V193 VanDerWaalsContact O-N 3.11Å; V193-Y246 WeakPolarHBondContact CA-OH 3.26Å; V193-Y246 HydrophobicContact CG2-CE2 4.01Å
194Y95.9Very high97.2Very high138 Ų13829.8 Ų29.854%0.54117%0.173SC..G310 helixtrans-97.33.7-179.3-54-70.6000113.9R73 A191 I192R73-Y194 VanDerWaalsContact CZ-CE2 3.45Å; R73-Y194 VanDerWaalsContact CZ-CG 3.47Å; A191-Y194 WeakPolarHBondContact O-CD2 3.39Å; A191-Y194 PolarHBondContact O-N 3.5Å; I192-Y194 PolarHBondContact O-N 3.38Å
195M96.2Very high97.1Very high9 Ų934.3 Ų34.34%0.04419%0.19CC..  trans-86.6144.7-177.5-57.2-59.4155.900111.3L76 Q77 Y188 A191 I192 Y200L76-M195 HydrophobicContact CB-CE 3.55Å; L76-M195 HydrophobicContact CB-SD 4.19Å; L76-M195 HydrophobicContact CD1-CE 4.09Å; L76-M195 HydrophobicContact CG-CE 4.47Å; Q77-M195 HydrophobicContact CB-SD 3.99Å; Y188-M195 HydrophobicContact CE2-CG 3.94Å; Y188-M195 HydrophobicContact CE2-SD 4.23Å; A191-M195 HydrophobicContact CB-CE 3.55Å; I192-M195 WeakPolarHBondContact O-CB 3.42Å; I192-M195 WeakPolarHBondContact O-CG 3.46Å; I192-M195 PolarHBondContact O-N 3.25Å; M195-Y200 HydrophobicContact CB-CD1 4.42Å; M195-Y200 HydrophobicContact CB-CE1 3.74Å; M195-Y200 VanDerWaalsContact O-CZ 3.24Å; M195-Y200 PolarHBondContact O-OH 3.33Å
196P95.1Very high97.1Very high53 Ų5334.3 Ų34.334%0.34419%0.19SC..  trans-76.8159.5174.830.7-33000111.4Q77 S198 S199 Y200Q77-P196 HydrophobicContact CB-CG 4.17Å; Q77-P196 VanDerWaalsContact OE1-CG 3.26Å; P196-S198 PolarHBondContact O-N 3.03Å; P196-S199 WeakPolarHBondContact O-CA 3.49Å; P196-S199 VanDerWaalsContact O-CB 3.23Å; P196-S199 WeakPolarHBondContact O-CB 3.44Å; P196-S199 PolarHBondContact O-N 3.34Å; P196-Y200 PolarHBondContact O-N 3.09Å
197A96.1Very high97.1Very high49 Ų4933.3 Ų33.341%0.40519%0.185SC..Hα-helixtrans-54.6-29.9179.200000114.3S199 Y200 Q201A197-S199 PolarHBondContact O-N 2.93Å; A197-Y200 PolarHBondContact O-N 3.31Å; A197-Q201 WeakPolarHBondContact O-CG 3.47Å; A197-Q201 PolarHBondContact O-N 3.46Å
198S96.6Very high97.2Very high43 Ų4333.1 Ų33.130%0.30118%0.184SC..Hα-helixtrans-58.9-34.9172.246.90000113P196 S202P196-S198 PolarHBondContact O-N 3.03Å; S198-S202 WeakPolarHBondContact O-CB 3.23Å; S198-S202 PolarHBondContact O-N 3.47Å
199S97.8Very high97.1Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-72.4-43.7175.7-166.50000111.9Y42 Q77 Y188 P196 A197 Q201 S202 L203Y42-S199 WeakPolarHBondContact OH-CA 3.46Å; Q77-S199 WeakPolarHBondContact CA-OG 3.27Å; Q77-S199 WeakPolarHBondContact O-CB 3.21Å; Q77-S199 PolarHBondContact O-OG 2.83Å; Y188-S199 WeakPolarHBondContact CE2-OG 3.34Å; Y188-S199 PolarHBondContact OH-OG 3.38Å; P196-S199 WeakPolarHBondContact O-CA 3.49Å; P196-S199 VanDerWaalsContact O-CB 3.23Å; P196-S199 WeakPolarHBondContact O-CB 3.44Å; P196-S199 PolarHBondContact O-N 3.34Å; A197-S199 PolarHBondContact O-N 2.93Å; S199-Q201 VanDerWaalsContact C-N 3.26Å; S199-Q201 PolarHBondContact O-N 3.11Å; S199-S202 PolarHBondContact O-N 3.47Å; S199-S202 VanDerWaalsContact O-N 3.14Å; S199-L203 WeakPolarHBondContact O-CB 3.49Å; S199-L203 PolarHBondContact O-N 3.34Å
200Y98.2Very high97Very high13 Ų1334.7 Ų34.75%0.05119%0.188CC..Hα-helixtrans-60.1-37.5173.2-54.7-34.2000111.9I192 M195 P196 A197 L203 C204 Y246 A247 N250I192-Y200 HydrophobicContact CG1-CD1 4.48Å; I192-Y200 HydrophobicContact CG1-CE1 3.87Å; I192-Y200 PolarHBondContact O-OH 2.9Å; M195-Y200 HydrophobicContact CB-CD1 4.42Å; M195-Y200 HydrophobicContact CB-CE1 3.74Å; M195-Y200 VanDerWaalsContact O-CZ 3.24Å; M195-Y200 PolarHBondContact O-OH 3.33Å; P196-Y200 PolarHBondContact O-N 3.09Å; A197-Y200 PolarHBondContact O-N 3.31Å; Y200-L203 WeakPolarHBondContact O-CB 3.2Å; Y200-L203 PolarHBondContact O-N 2.95Å; Y200-C204 PolarHBondContact O-N 2.96Å; Y200-C204 PolarHBondContact O-SG 3.42Å; Y200-Y246 HydrophobicContact CE1-CD1 4.05Å; Y200-Y246 HydrophobicContact CE1-CE1 4.01Å; Y200-Y246 AromaticContact CZ-CE1 3.79Å; Y200-Y246 WeakPolarHBondContact OH-CE1 3.33Å; Y200-A247 HydrophobicContact CG-CB 4.38Å; Y200-N250 HydrophobicContact CD2-CB 4.28Å; Y200-N250 HydrophobicContact CE2-CB 3.97Å
201Q98Very high97.1Very high58 Ų5830 Ų3027%0.27116%0.156SC..Hα-helixtrans-68.1-41.4173.4-70.4-173.87.500112.9A197 S199 L203 R205 Q252 L255A197-Q201 WeakPolarHBondContact O-CG 3.47Å; A197-Q201 PolarHBondContact O-N 3.46Å; S199-Q201 VanDerWaalsContact C-N 3.26Å; S199-Q201 PolarHBondContact O-N 3.11Å; Q201-L203 VanDerWaalsContact C-N 3.33Å; Q201-R205 VanDerWaalsContact O-CB 3.3Å; Q201-R205 WeakPolarHBondContact O-CB 3.48Å; Q201-R205 WeakPolarHBondContact O-CD 3.49Å; Q201-R205 WeakPolarHBondContact O-CG 3.49Å; Q201-R205 PolarHBondContact O-N 2.91Å; Q201-Q252 HydrophobicContact CG-CG 4.31Å; Q201-L255 HydrophobicContact CB-CD1 4.24Å; Q201-L255 HydrophobicContact CG-CD1 3.78Å
202S97.9Very high97.1Very high1 Ų129.5 Ų29.51%0.00715%0.151CC..Hα-helixtrans-61.9-41.9174-178.40000111.1E81 S198 S199 R205 M206E81-S202 WeakPolarHBondContact CB-OG 3.34Å; E81-S202 PolarHBondContact N-OG 3.28Å; E81-S202 WeakPolarHBondContact OE2-CB 3.15Å; E81-S202 PolarHBondContact OE2-OG 3.02Å; S198-S202 WeakPolarHBondContact O-CB 3.23Å; S198-S202 PolarHBondContact O-N 3.47Å; S199-S202 PolarHBondContact O-N 3.47Å; S199-S202 VanDerWaalsContact O-N 3.14Å; S202-R205 PolarHBondContact O-N 3.38Å; S202-M206 VanDerWaalsContact O-CB 3.31Å; S202-M206 WeakPolarHBondContact O-CB 3.46Å; S202-M206 PolarHBondContact O-N 3.19Å
203L98.5Very high96.9Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-58.5-52.4174.9179.270.6000112.8P80 M185 Y188 S199 Y200 Q201 R205 M206 G207 L240 G243P80-L203 HydrophobicContact CB-CB 4.21Å; P80-L203 HydrophobicContact CB-CD1 4.34Å; P80-L203 HydrophobicContact CG-CB 4.06Å; P80-L203 HydrophobicContact CG-CD1 4.18Å; M185-L203 HydrophobicContact CE-CD1 3.62Å; M185-L203 HydrophobicContact SD-CD1 4.26Å; Y188-L203 HydrophobicContact CE1-CD1 4.39Å; Y188-L203 HydrophobicContact CE1-CD2 4Å; S199-L203 WeakPolarHBondContact O-CB 3.49Å; S199-L203 PolarHBondContact O-N 3.34Å; Y200-L203 WeakPolarHBondContact O-CB 3.2Å; Y200-L203 PolarHBondContact O-N 2.95Å; Q201-L203 VanDerWaalsContact C-N 3.33Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 3.21Å; L203-M206 HydrophobicContact CD1-CE 3.94Å; L203-M206 PolarHBondContact O-N 2.98Å; L203-G207 PolarHBondContact O-N 2.95Å; L203-L240 HydrophobicContact CD1-CD1 3.9Å; L203-L240 HydrophobicContact CG-CD1 4.43Å; L203-G243 VanDerWaalsContact CD2-C 3.48Å
204C98.3Very high96.8Very high2 Ų225.7 Ų25.71%0.01413%0.134CC..Hα-helixtrans-64.9-40.3-180-60.20000111.4Y200 G207 S208 L255 V259Y200-C204 PolarHBondContact O-N 2.96Å; Y200-C204 PolarHBondContact O-SG 3.42Å; C204-G207 PolarHBondContact O-N 3.19Å; C204-S208 PolarHBondContact O-N 2.89Å; C204-L255 HydrophobicContact CB-CB 3.81Å; C204-V259 HydrophobicContact CB-CG1 4.08Å
205R97Very high96.7Very high94 Ų9419.8 Ų19.836%0.35511%0.111SC..Hα-helixtrans-64.8-44.2175.4-71169.1-171.5139.610.3112.1Q201 S202 L203 R209Q201-R205 VanDerWaalsContact O-CB 3.3Å; Q201-R205 WeakPolarHBondContact O-CB 3.48Å; Q201-R205 WeakPolarHBondContact O-CD 3.49Å; Q201-R205 WeakPolarHBondContact O-CG 3.49Å; Q201-R205 PolarHBondContact O-N 2.91Å; S202-R205 PolarHBondContact O-N 3.38Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 3.21Å; R205-R209 VanDerWaalsContact O-CB 3.28Å; R205-R209 WeakPolarHBondContact O-CB 3.39Å; R205-R209 VanDerWaalsContact O-CD 3.29Å; R205-R209 WeakPolarHBondContact O-CD 3.45Å; R205-R209 WeakPolarHBondContact O-CG 3.27Å; R205-R209 PolarHBondContact O-N 3.29Å
206M97.2Very high96.7Very high0 Ų023.6 Ų23.60%014%0.137CC..Hα-helixtrans-55.2-53.5172.1173.7-168.476.700109.5P80 M83 W84 M185 S202 L203 S208 R209 V210 F236 L240P80-M206 HydrophobicContact CB-CB 4.32Å; P80-M206 HydrophobicContact CB-CE 4.32Å; P80-M206 HydrophobicContact CB-SD 3.97Å; M83-M206 HydrophobicContact CB-SD 3.79Å; W84-M206 HydrophobicContact CB-CB 4.2Å; W84-M206 HydrophobicContact CB-CG 3.97Å; M185-M206 HydrophobicContact SD-CE 4.08Å; S202-M206 VanDerWaalsContact O-CB 3.31Å; S202-M206 WeakPolarHBondContact O-CB 3.46Å; S202-M206 PolarHBondContact O-N 3.19Å; L203-M206 HydrophobicContact CD1-CE 3.94Å; L203-M206 PolarHBondContact O-N 2.98Å; M206-S208 PolarHBondContact O-N 3.34Å; M206-R209 PolarHBondContact O-N 3.39Å; M206-V210 HydrophobicContact CG-CG1 4.18Å; M206-V210 WeakPolarHBondContact O-CG1 3.23Å; M206-V210 WeakPolarHBondContact O-CG2 3.36Å; M206-V210 PolarHBondContact O-N 3.3Å; M206-F236 HydrophobicContact CE-CZ 4.15Å; M206-L240 HydrophobicContact CE-CD1 3.79Å
207G98Very high96.6Very high0 Ų023.5 Ų23.50%013%0.129CC..Hα-helixtrans-57.4-49.6-176.500000112.9L203 C204 R209 V210 C211 V259L203-G207 PolarHBondContact O-N 2.95Å; C204-G207 PolarHBondContact O-N 3.19Å; G207-R209 PolarHBondContact O-N 2.95Å; G207-V210 WeakPolarHBondContact O-CG2 3.31Å; G207-V210 PolarHBondContact O-N 3.2Å; G207-C211 VanDerWaalsContact O-CB 3.29Å; G207-C211 WeakPolarHBondContact O-CB 3.35Å; G207-C211 PolarHBondContact O-N 3.4Å; G207-C211 PolarHBondContact O-SG 3.49Å; G207-V259 VanDerWaalsContact C-CG2 3.45Å
208S97Very high96.5Very high4 Ų421.6 Ų21.63%0.02811%0.112CC..Hα-helixtrans-58.9-49.8176.4173.70000110.8C204 M206 V210 C211 V212 V259 D262C204-S208 PolarHBondContact O-N 2.89Å; M206-S208 PolarHBondContact O-N 3.34Å; S208-V210 PolarHBondContact O-N 3.37Å; S208-C211 PolarHBondContact O-N 2.97Å; S208-V212 WeakPolarHBondContact O-CG2 3.5Å; S208-V212 PolarHBondContact O-N 3.15Å; S208-V212 VanDerWaalsContact O-N 3.07Å; S208-V259 VanDerWaalsContact N-CG2 3.28Å; S208-D262 VanDerWaalsContact CB-OD2 3.28Å; S208-D262 WeakPolarHBondContact CB-OD2 3.47Å; S208-D262 PolarHBondContact OG-OD2 3.32Å
209R96.2Very high96.2Very high51 Ų5126.1 Ų26.119%0.19213%0.128CC..Hα-helixtrans-57-50.1178.7-70.1166.8179.7170.3-0.4112.6E81 W84 R205 M206 G207 S213 W223E81-R209 IonicContact OE1-CZ 3.41Å; E81-R209 IonicContact OE1-NH1 2.72Å; E81-R209 PolarHBondContact OE1-NH1 3.25Å; E81-R209 IonicContact OE1-NH2 2.75Å; W84-R209 HydrophobicContact CD2-CB 4.12Å; W84-R209 HydrophobicContact CE3-CB 3.67Å; W84-R209 HydrophobicContact CH2-CB 3.77Å; W84-R209 HydrophobicContact CH2-CG 4.4Å; W84-R209 HydrophobicContact CZ2-CB 4.19Å; W84-R209 HydrophobicContact CZ2-CG 4.38Å; W84-R209 HydrophobicContact CZ3-CB 3.49Å; W84-R209 VanDerWaalsContact CZ3-CB 3.49Å; W84-R209 HydrophobicContact CZ3-CG 4.49Å; R205-R209 VanDerWaalsContact O-CB 3.28Å; R205-R209 WeakPolarHBondContact O-CB 3.39Å; R205-R209 VanDerWaalsContact O-CD 3.29Å; R205-R209 WeakPolarHBondContact O-CD 3.45Å; R205-R209 WeakPolarHBondContact O-CG 3.27Å; R205-R209 PolarHBondContact O-N 3.29Å; M206-R209 PolarHBondContact O-N 3.39Å; G207-R209 PolarHBondContact O-N 2.95Å; R209-S213 VanDerWaalsContact O-CB 3.25Å; R209-S213 WeakPolarHBondContact O-CB 3.38Å; R209-S213 PolarHBondContact O-N 2.88Å; R209-S213 VanDerWaalsContact O-N 3.12Å; R209-S213 PolarHBondContact O-OG 2.85Å; R209-W223 VanDerWaalsContact CA-CH2 3.47Å; R209-W223 HydrophobicContact CB-CH2 4.14Å; R209-W223 HydrophobicContact CB-CZ3 4.35Å; R209-W223 HydrophobicContact CG-CH2 3.79Å; R209-W223 HydrophobicContact CG-CZ2 3.97Å; R209-W223 HydrophobicContact CG-CZ3 4.09Å
210V96.4Very high95.9Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-70.7-31.6-177.9-58.50000112.6W84 L87 M206 G207 S208 I230 L232 F236 R266W84-V210 HydrophobicContact CE3-CG1 3.68Å; W84-V210 HydrophobicContact CZ3-CG1 4Å; L87-V210 HydrophobicContact CD1-CG1 3.83Å; M206-V210 HydrophobicContact CG-CG1 4.18Å; M206-V210 WeakPolarHBondContact O-CG1 3.23Å; M206-V210 WeakPolarHBondContact O-CG2 3.36Å; M206-V210 PolarHBondContact O-N 3.3Å; G207-V210 WeakPolarHBondContact O-CG2 3.31Å; G207-V210 PolarHBondContact O-N 3.2Å; S208-V210 PolarHBondContact O-N 3.37Å; V210-I230 HydrophobicContact CB-CD1 4.49Å; V210-I230 HydrophobicContact CG1-CD1 4.25Å; V210-L232 HydrophobicContact CB-CD1 4.32Å; V210-L232 HydrophobicContact CB-CD2 4.13Å; V210-L232 HydrophobicContact CG2-CD1 4.03Å; V210-L232 HydrophobicContact CG2-CD2 4.2Å; V210-F236 HydrophobicContact CG2-CE1 4.4Å; V210-R266 PolarHBondContact O-NH1 2.88Å
211C97.2Very high95.5Very high0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-70.9-47.8179.3-73.60000112.3G207 S208 D262 I263 R266G207-C211 VanDerWaalsContact O-CB 3.29Å; G207-C211 WeakPolarHBondContact O-CB 3.35Å; G207-C211 PolarHBondContact O-N 3.4Å; G207-C211 PolarHBondContact O-SG 3.49Å; S208-C211 PolarHBondContact O-N 2.97Å; C211-D262 HydrophobicContact CB-CB 4.18Å; C211-I263 VanDerWaalsContact SG-CG1 3.53Å; C211-R266 HydrophobicContact CB-CB 3.92Å; C211-R266 HydrophobicContact CB-CG 4.33Å; C211-R266 VanDerWaalsContact O-CD 3.32Å; C211-R266 WeakPolarHBondContact O-CD 3.42Å; C211-R266 PolarHBondContact O-NH1 3.12Å
212V96.2Very high94.8Very high0 Ų038.9 Ų38.90%019%0.187CC..Hα-helixtrans-92.2-15.2-174.2-47.80000115.3S208 G214 F215 R217 Q218 K221 W223 D262S208-V212 WeakPolarHBondContact O-CG2 3.5Å; S208-V212 PolarHBondContact O-N 3.15Å; S208-V212 VanDerWaalsContact O-N 3.07Å; V212-G214 PolarHBondContact O-N 3.05Å; V212-F215 WeakPolarHBondContact O-CB 3.42Å; V212-F215 PolarHBondContact O-N 3.05Å; V212-R217 HydrophobicContact CB-CB 4.37Å; V212-R217 HydrophobicContact CG1-CB 4.26Å; V212-R217 HydrophobicContact CG1-CG 4.28Å; V212-Q218 HydrophobicContact CG2-CB 4.16Å; V212-Q218 HydrophobicContact CG2-CG 4.41Å; V212-K221 HydrophobicContact CG2-CG 4.14Å; V212-W223 HydrophobicContact CG2-CH2 3.45Å; V212-W223 VanDerWaalsContact CG2-CH2 3.45Å; V212-W223 HydrophobicContact CG2-CZ3 3.59Å; V212-D262 HydrophobicContact CG1-CB 3.76Å; V212-D262 VanDerWaalsContact CG1-CG 3.41Å; V212-D262 WeakPolarHBondContact CG1-OD1 3.37Å
213S94.6Very high94.2Very high0 Ų042.7 Ų42.70%020%0.202CC..THydrogen-bonded Turntrans-57.6127.9-178.2-69.40000111.9R209 F215 G228 R229R209-S213 VanDerWaalsContact O-CB 3.25Å; R209-S213 WeakPolarHBondContact O-CB 3.38Å; R209-S213 PolarHBondContact O-N 2.88Å; R209-S213 VanDerWaalsContact O-N 3.12Å; R209-S213 PolarHBondContact O-OG 2.85Å; S213-F215 WeakPolarHBondContact O-CD2 3.35Å; S213-G228 CarbonylContact C-O 3.34Å; S213-G228 WeakPolarHBondContact CB-O 3.37Å; S213-R229 WeakPolarHBondContact O-CA 3.4Å
214G93.7Very high93.2Very high25 Ų2552.9 Ų52.926%0.25825%0.246SC..THydrogen-bonded Turntrans75.823-17500000115.5V212 C227 R229V212-G214 PolarHBondContact O-N 3.05Å; G214-C227 PolarHBondContact N-O 2.82Å; G214-R229 PolarHBondContact O-NE 3.37Å; G214-R229 PolarHBondContact O-NH2 3.15Å
215F95.2Very high92.2Very high13 Ų1359 Ų596%0.05727%0.274CS..SBendtrans-133.2155.3173.3-64.2-88.5000111.5V212 S213 R217 Q218 R229 Y265 R266 L269V212-F215 WeakPolarHBondContact O-CB 3.42Å; V212-F215 PolarHBondContact O-N 3.05Å; S213-F215 WeakPolarHBondContact O-CD2 3.35Å; F215-R217 PolarHBondContact O-N 2.95Å; F215-Q218 WeakPolarHBondContact O-CB 3.45Å; F215-Q218 PolarHBondContact O-N 3.3Å; F215-R229 HydrophobicContact CD2-CG 4.49Å; F215-R229 HydrophobicContact CE2-CG 3.7Å; F215-R229 HydrophobicContact CZ-CG 4.01Å; F215-R229 VanDerWaalsContact CZ-NE 3.27Å; F215-Y265 HydrophobicContact CB-CE1 3.92Å; F215-Y265 HydrophobicContact CG-CE1 4.46Å; F215-R266 VanDerWaalsContact CE2-CZ 3.46Å; F215-L269 HydrophobicContact CD1-CD1 3.5Å; F215-L269 VanDerWaalsContact CD1-CD1 3.5Å; F215-L269 HydrophobicContact CE1-CB 4.35Å; F215-L269 HydrophobicContact CE1-CD1 3.83Å; F215-L269 HydrophobicContact CG-CD1 4.25Å
216P94.6Very high91.5Very high90 Ų9059.9 Ų59.958%0.58429%0.286SS*.G310 helixtrans-51.6-35-176.6-30.536.2000115.3Q218 H219P216-Q218 PolarHBondContact O-N 3.35Å; P216-Q218 VanDerWaalsContact O-N 3.11Å; P216-H219 WeakPolarHBondContact O-CB 3.31Å; P216-H219 PolarHBondContact O-CD2 2.96Å; P216-H219 PolarHBondContact O-N 2.99Å
217R94.6Very high91Very high51 Ų5160.9 Ų60.919%0.19229%0.292CS..G310 helixtrans-60-21.8178.9-162.8170.3-152.3-163.618113.9V212 F215 H219 E220 D261 D262 Y265V212-R217 HydrophobicContact CB-CB 4.37Å; V212-R217 HydrophobicContact CG1-CB 4.26Å; V212-R217 HydrophobicContact CG1-CG 4.28Å; F215-R217 PolarHBondContact O-N 2.95Å; R217-H219 PolarHBondContact O-N 3.49Å; R217-E220 WeakPolarHBondContact CG-OE2 3.38Å; R217-E220 IonicContact NE-OE2 3.61Å; R217-E220 PolarHBondContact NE-OE2 2.72Å; R217-E220 WeakPolarHBondContact O-CB 3.42Å; R217-E220 PolarHBondContact O-N 3.41Å; R217-E220 VanDerWaalsContact O-N 3.08Å; R217-D261 PolarHBondContact NH1-O 2.84Å; R217-D262 WeakPolarHBondContact CD-OD1 3.34Å; R217-D262 IonicContact CZ-OD1 2.64Å; R217-D262 IonicContact NE-OD1 2.7Å; R217-D262 IonicContact NH1-OD1 2.66Å; R217-D262 PolarHBondContact NH1-OD1 3.32Å; R217-Y265 HydrophobicContact CB-CD1 4.11Å; R217-Y265 HydrophobicContact CB-CE1 3.5Å; R217-Y265 VanDerWaalsContact CB-CE1 3.5Å; R217-Y265 HydrophobicContact CB-CE2 4.2Å; R217-Y265 HydrophobicContact CG-CE1 4.43Å; R217-Y265 PolarHBondContact N-OH 3Å
218Q93.8Very high90.7Very high8 Ų862.5 Ų62.54%0.03731%0.309CS..G310 helixtrans-59.4-26.5172.2-166.7175.715.900112.9V212 F215 P216 K221 W223 L226 C227V212-Q218 HydrophobicContact CG2-CB 4.16Å; V212-Q218 HydrophobicContact CG2-CG 4.41Å; F215-Q218 WeakPolarHBondContact O-CB 3.45Å; F215-Q218 PolarHBondContact O-N 3.3Å; P216-Q218 PolarHBondContact O-N 3.35Å; P216-Q218 VanDerWaalsContact O-N 3.11Å; Q218-K221 WeakPolarHBondContact O-CB 3.24Å; Q218-K221 PolarHBondContact O-N 3.29Å; Q218-K221 VanDerWaalsContact O-O 3.13Å; Q218-W223 HydrophobicContact CG-CE3 4.12Å; Q218-W223 HydrophobicContact CG-CZ3 4.13Å; Q218-L226 HydrophobicContact CG-CD2 3.94Å; Q218-C227 VanDerWaalsContact NE2-N 3.12Å; Q218-C227 PolarHBondContact NE2-O 3.02Å; Q218-C227 PolarHBondContact OE1-O 3.32Å
219H90.6Very high90.6Very high139 Ų13968.6 Ų68.664%0.64433%0.331SS*.G310 helixtrans-78.6-18.2177.1-56.8-58.5000113.4P216 R217 K221P216-H219 WeakPolarHBondContact O-CB 3.31Å; P216-H219 PolarHBondContact O-CD2 2.96Å; P216-H219 PolarHBondContact O-N 2.99Å; R217-H219 PolarHBondContact O-N 3.49Å; H219-K221 VanDerWaalsContact C-N 3.26Å
220E91.3Very high90.5Very high120 Ų12066.2 Ų66.256%0.56132%0.322SS*.THydrogen-bonded Turntrans-74.4-22.9168.4-61.2160.7-139.200110.9R217 H222R217-E220 WeakPolarHBondContact CG-OE2 3.38Å; R217-E220 IonicContact NE-OE2 3.61Å; R217-E220 PolarHBondContact NE-OE2 2.72Å; R217-E220 WeakPolarHBondContact O-CB 3.42Å; R217-E220 PolarHBondContact O-N 3.41Å; R217-E220 VanDerWaalsContact O-N 3.08Å; E220-H222 PolarHBondContact O-ND1 3.36Å
221K89.9Confident90.3Very high28 Ų2870.4 Ų70.412%0.12235%0.348CS..SBendtrans-84.9124.7176.7-49.1-61.5-171.8172.10110.1V212 Q218 H219 W223 E258 D262V212-K221 HydrophobicContact CG2-CG 4.14Å; Q218-K221 WeakPolarHBondContact O-CB 3.24Å; Q218-K221 PolarHBondContact O-N 3.29Å; Q218-K221 VanDerWaalsContact O-O 3.13Å; H219-K221 VanDerWaalsContact C-N 3.26Å; K221-W223 HydrophobicContact CB-CD2 3.65Å; K221-W223 VanDerWaalsContact CB-CE2 3.48Å; K221-W223 HydrophobicContact CB-CE3 4.12Å; K221-W223 HydrophobicContact CB-CG 4.01Å; K221-W223 HydrophobicContact CB-CH2 4.19Å; K221-W223 HydrophobicContact CB-CZ2 3.78Å; K221-W223 HydrophobicContact CB-CZ3 4.37Å; K221-W223 HydrophobicContact CD-CZ2 4.1Å; K221-W223 HydrophobicContact CG-CD2 4.39Å; K221-W223 HydrophobicContact CG-CH2 3.85Å; K221-W223 HydrophobicContact CG-CZ2 3.67Å; K221-W223 HydrophobicContact CG-CZ3 4.32Å; K221-W223 PolarHBondContact O-N 3.15Å; K221-E258 VanDerWaalsContact NZ-CG 3.25Å; K221-E258 IonicContact NZ-OE1 3.33Å; K221-E258 PolarHBondContact NZ-OE1 3.29Å; K221-D262 WeakPolarHBondContact CE-OD2 3.46Å; K221-D262 VanDerWaalsContact NZ-CG 3.34Å; K221-D262 IonicContact NZ-OD1 2.73Å; K221-D262 PolarHBondContact NZ-OD1 3.13Å; K221-D262 IonicContact NZ-OD2 3.2Å; K221-D262 PolarHBondContact NZ-OD2 2.91Å
222H83.2Confident90.3Very high190 Ų19070.8 Ų70.888%0.8835%0.349SS*.  trans-7957.8-177.6-66.673.7000112E220E220-H222 PolarHBondContact O-ND1 3.36Å
223W84.5Confident90.3Very high82 Ų8273.4 Ų73.431%0.31136%0.364SS..  trans-96.8144-176.3-61.8-14.1000112.1R209 V212 Q218 K221 E225R209-W223 VanDerWaalsContact CA-CH2 3.47Å; R209-W223 HydrophobicContact CB-CH2 4.14Å; R209-W223 HydrophobicContact CB-CZ3 4.35Å; R209-W223 HydrophobicContact CG-CH2 3.79Å; R209-W223 HydrophobicContact CG-CZ2 3.97Å; R209-W223 HydrophobicContact CG-CZ3 4.09Å; V212-W223 HydrophobicContact CG2-CH2 3.45Å; V212-W223 VanDerWaalsContact CG2-CH2 3.45Å; V212-W223 HydrophobicContact CG2-CZ3 3.59Å; Q218-W223 HydrophobicContact CG-CE3 4.12Å; Q218-W223 HydrophobicContact CG-CZ3 4.13Å; K221-W223 HydrophobicContact CB-CD2 3.65Å; K221-W223 VanDerWaalsContact CB-CE2 3.48Å; K221-W223 HydrophobicContact CB-CE3 4.12Å; K221-W223 HydrophobicContact CB-CG 4.01Å; K221-W223 HydrophobicContact CB-CH2 4.19Å; K221-W223 HydrophobicContact CB-CZ2 3.78Å; K221-W223 HydrophobicContact CB-CZ3 4.37Å; K221-W223 HydrophobicContact CD-CZ2 4.1Å; K221-W223 HydrophobicContact CG-CD2 4.39Å; K221-W223 HydrophobicContact CG-CH2 3.85Å; K221-W223 HydrophobicContact CG-CZ2 3.67Å; K221-W223 HydrophobicContact CG-CZ3 4.32Å; K221-W223 PolarHBondContact O-N 3.15Å; W223-E225 VanDerWaalsContact C-N 3.34Å; W223-E225 PolarHBondContact O-N 3.14Å
224K77.6Confident90.5Very high213 Ų21375.4 Ų75.493%0.92638%0.376SS*.SBendtrans-70.6-28-178.8-66.2-176.8177.2-177.30114
225E77.8Confident90.6Very high131 Ų13178.4 Ų78.461%0.61238%0.384SS*.SBendtrans-128.5128.8-171.3-71.9166.9-156.700109.5R88 W223R88-E225 IonicContact NH1-OE2 3.81Å; R88-E225 PolarHBondContact NH1-OE2 3.26Å; W223-E225 VanDerWaalsContact C-N 3.34Å; W223-E225 PolarHBondContact O-N 3.14Å
226L82.5Confident90.7Very high113 Ų11377.8 Ų77.859%0.59238%0.381SS*.  trans-90.9107.4173.8-63.9177.3000109.6Q218Q218-L226 HydrophobicContact CG-CD2 3.94Å
227C86.4Confident90.9Very high20 Ų2073.5 Ų73.514%0.13535%0.353CS..  trans-78.7142.2167.2-169.80000110.4W84 G214 Q218W84-C227 HydrophobicContact CH2-CB 4.1Å; G214-C227 PolarHBondContact N-O 2.82Å; Q218-C227 VanDerWaalsContact NE2-N 3.12Å; Q218-C227 PolarHBondContact NE2-O 3.02Å; Q218-C227 PolarHBondContact OE1-O 3.32Å
228G91Very high91.1Very high34 Ų3472.6 Ų72.635%0.35135%0.353SS..  trans-71.7-175175.200000113.2S213 I230S213-G228 CarbonylContact C-O 3.34Å; S213-G228 WeakPolarHBondContact CB-O 3.37Å; G228-I230 PolarHBondContact O-N 3.15Å; G228-I230 VanDerWaalsContact O-N 3.1Å
229R94.5Very high91.3Very high133 Ų13373.3 Ų73.350%0.50236%0.357SS..  trans-70.4110.2-176.3-168.7176.7-62.71803.8112.5S213 G214 F215S213-R229 WeakPolarHBondContact O-CA 3.4Å; G214-R229 PolarHBondContact O-NE 3.37Å; G214-R229 PolarHBondContact O-NH2 3.15Å; F215-R229 HydrophobicContact CD2-CG 4.49Å; F215-R229 HydrophobicContact CE2-CG 3.7Å; F215-R229 HydrophobicContact CZ-CG 4.01Å; F215-R229 VanDerWaalsContact CZ-NE 3.27Å
230I94.1Very high91.6Very high0 Ų066.7 Ų66.70%033%0.326CS..  trans-77.9117.7168.3-64.1165.5000107.9W84 L87 V91 V210 G228 L232 R266W84-I230 HydrophobicContact CE3-CD1 4.39Å; W84-I230 HydrophobicContact CH2-CD1 4.2Å; W84-I230 HydrophobicContact CZ3-CD1 3.52Å; L87-I230 HydrophobicContact CB-CD1 4.28Å; L87-I230 HydrophobicContact CB-CG2 4.15Å; L87-I230 HydrophobicContact CD1-CG2 4.48Å; L87-I230 HydrophobicContact CD2-CG2 4.16Å; V91-I230 HydrophobicContact CG2-CB 4.29Å; V91-I230 HydrophobicContact CG2-CG1 3.65Å; V210-I230 HydrophobicContact CB-CD1 4.49Å; V210-I230 HydrophobicContact CG1-CD1 4.25Å; G228-I230 PolarHBondContact O-N 3.15Å; G228-I230 VanDerWaalsContact O-N 3.1Å; I230-L232 HydrophobicContact CG2-CD2 4.01Å; I230-L232 HydrophobicContact CG2-CG 4.46Å; I230-R266 PolarHBondContact O-NH1 3.17Å; I230-R266 PolarHBondContact O-NH2 3.35Å
231V93.8Very high92Very high89 Ų8961 Ų6154%0.53930%0.299SS..  trans-64.7133.4167.6178.50000108.1F178F178-V231 WeakPolarHBondContact CE2-O 3.46Å; F178-V231 WeakPolarHBondContact CZ-O 3.25Å
232L96.5Very high92.4Very high7 Ų763 Ų634%0.03731%0.314CS..  trans-121.6154.8177.2-71.1-178000110.9F178 V210 I230 F236 M237 F272F178-L232 HydrophobicContact CE1-CD2 4.05Å; F178-L232 HydrophobicContact CZ-CD2 3.95Å; V210-L232 HydrophobicContact CB-CD1 4.32Å; V210-L232 HydrophobicContact CB-CD2 4.13Å; V210-L232 HydrophobicContact CG2-CD1 4.03Å; V210-L232 HydrophobicContact CG2-CD2 4.2Å; I230-L232 HydrophobicContact CG2-CD2 4.01Å; I230-L232 HydrophobicContact CG2-CG 4.46Å; L232-F236 HydrophobicContact CD2-CD1 4.03Å; L232-F236 HydrophobicContact CD2-CE1 4.02Å; L232-M237 HydrophobicContact CB-CG 4.4Å; L232-M237 HydrophobicContact CB-SD 4.03Å; L232-M237 HydrophobicContact CD1-CG 4.11Å; L232-M237 HydrophobicContact CD1-SD 3.87Å; L232-F272 WeakPolarHBondContact O-CZ 3.44Å
233D96.6Very high93.1Very high56 Ų5654 Ų5430%0.29927%0.272SS..  trans-101.3141.7172.4-174.7-81.9000110.9F178 E235 F236 M237F178-D233 HydrophobicContact CB-CB 3.54Å; F178-D233 HydrophobicContact CD1-CB 3.72Å; F178-D233 HydrophobicContact CD2-CB 4.07Å; F178-D233 HydrophobicContact CG-CB 3.48Å; F178-D233 VanDerWaalsContact CG-CB 3.48Å; D233-E235 PolarHBondContact O-N 2.9Å; D233-E235 VanDerWaalsContact OD1-CB 3.31Å; D233-E235 WeakPolarHBondContact OD1-CB 3.36Å; D233-E235 PolarHBondContact OD1-N 3.48Å; D233-F236 HydrophobicContact CB-CB 4.28Å; D233-F236 PolarHBondContact O-N 2.66Å; D233-M237 PolarHBondContact O-N 2.9Å; D233-M237 VanDerWaalsContact O-N 3.15Å
234P97.6Very high93.7Very high41 Ų4150 Ų5027%0.26626%0.257SS..Hα-helixtrans-63.7-33179.425.2-35.3000114.2M237 V238 F272 P275P234-M237 PolarHBondContact O-N 3.31Å; P234-V238 WeakPolarHBondContact O-CG2 3.36Å; P234-V238 PolarHBondContact O-N 2.79Å; P234-F272 HydrophobicContact CB-CB 4.32Å; P234-F272 HydrophobicContact CB-CD2 4.16Å; P234-F272 HydrophobicContact CB-CG 4.14Å; P234-P275 HydrophobicContact CB-CG 3.96Å; P234-P275 WeakPolarHBondContact O-CG 3.44Å
235E96.1Very high94.7Very high88 Ų8843.2 Ų43.241%0.41123%0.226SC..Hα-helixtrans-67.3-43.2177.6-166.4-169.8150.300110.5D233 M237 V238 Q239D233-E235 PolarHBondContact O-N 2.9Å; D233-E235 VanDerWaalsContact OD1-CB 3.31Å; D233-E235 WeakPolarHBondContact OD1-CB 3.36Å; D233-E235 PolarHBondContact OD1-N 3.48Å; E235-M237 VanDerWaalsContact C-N 3.25Å; E235-M237 PolarHBondContact O-N 2.71Å; E235-V238 PolarHBondContact O-N 3.14Å; E235-Q239 PolarHBondContact O-N 2.86Å
236F97.8Very high95.6Very high0 Ų039.8 Ų39.80%021%0.208CC..Hα-helixtrans-57.7-40.2173.9175.3-97.8000111.4M83 L87 F178 L181 S182 M185 M206 V210 L232 D233 Q239 L240M83-F236 HydrophobicContact CE-CE2 3.86Å; L87-F236 HydrophobicContact CD1-CZ 4.43Å; F178-F236 HydrophobicContact CD1-CB 3.83Å; F178-F236 HydrophobicContact CD1-CD1 4.48Å; F178-F236 HydrophobicContact CD1-CD2 4.39Å; F178-F236 AromaticContact CD1-CG 3.98Å; F178-F236 HydrophobicContact CD1-CG 3.98Å; F178-F236 HydrophobicContact CE1-CB 4.23Å; F178-F236 HydrophobicContact CE1-CD1 4.04Å; F178-F236 HydrophobicContact CE1-CD2 4.46Å; F178-F236 AromaticContact CE1-CG 3.98Å; F178-F236 HydrophobicContact CE1-CG 3.98Å; L181-F236 HydrophobicContact CB-CD2 4.04Å; L181-F236 HydrophobicContact CB-CE2 4.16Å; S182-F236 VanDerWaalsContact OG-CA 3.31Å; S182-F236 WeakPolarHBondContact OG-CA 3.46Å; S182-F236 WeakPolarHBondContact OG-CB 3.41Å; S182-F236 PolarHBondContact OG-N 2.88Å; S182-F236 VanDerWaalsContact OG-N 3.15Å; M185-F236 HydrophobicContact CG-CD2 4.06Å; M185-F236 HydrophobicContact CG-CE2 3.57Å; M185-F236 HydrophobicContact CG-CZ 4.42Å; M206-F236 HydrophobicContact CE-CZ 4.15Å; V210-F236 HydrophobicContact CG2-CE1 4.4Å; L232-F236 HydrophobicContact CD2-CD1 4.03Å; L232-F236 HydrophobicContact CD2-CE1 4.02Å; D233-F236 HydrophobicContact CB-CB 4.28Å; D233-F236 PolarHBondContact O-N 2.66Å; F236-Q239 PolarHBondContact O-N 2.84Å; F236-L240 WeakPolarHBondContact O-CB 3.49Å; F236-L240 PolarHBondContact O-N 2.83Å
237M98.4Very high96.3Very high0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-68.3-30.7176.2-71179.86400113.2L232 D233 P234 E235 L241 I263 R266 A267 F272 P275L232-M237 HydrophobicContact CB-CG 4.4Å; L232-M237 HydrophobicContact CB-SD 4.03Å; L232-M237 HydrophobicContact CD1-CG 4.11Å; L232-M237 HydrophobicContact CD1-SD 3.87Å; D233-M237 PolarHBondContact O-N 2.9Å; D233-M237 VanDerWaalsContact O-N 3.15Å; P234-M237 PolarHBondContact O-N 3.31Å; E235-M237 VanDerWaalsContact C-N 3.25Å; E235-M237 PolarHBondContact O-N 2.71Å; M237-L241 WeakPolarHBondContact O-CB 3.01Å; M237-L241 VanDerWaalsContact O-CG 3.31Å; M237-L241 WeakPolarHBondContact O-CG 3.21Å; M237-L241 PolarHBondContact O-N 2.89Å; M237-I263 HydrophobicContact CE-CG2 3.85Å; M237-R266 HydrophobicContact CE-CB 4.12Å; M237-R266 HydrophobicContact CE-CG 3.98Å; M237-R266 HydrophobicContact SD-CG 4.36Å; M237-A267 HydrophobicContact CE-CB 4.25Å; M237-F272 HydrophobicContact SD-CD2 3.73Å; M237-F272 HydrophobicContact SD-CE2 3.96Å; M237-P275 HydrophobicContact CB-CB 3.93Å; M237-P275 HydrophobicContact CB-CG 3.65Å; M237-P275 HydrophobicContact CE-CB 4.18Å
238V98.2Very high96.7Very high32 Ų3233.5 Ų33.519%0.19417%0.174CC..Hα-helixtrans-71.9-39.5172.2172.30000111.7P234 E235 L240 L241 T242 Q274 P275P234-V238 WeakPolarHBondContact O-CG2 3.36Å; P234-V238 PolarHBondContact O-N 2.79Å; E235-V238 PolarHBondContact O-N 3.14Å; V238-L240 VanDerWaalsContact C-N 3.34Å; V238-L241 PolarHBondContact O-N 3.38Å; V238-T242 PolarHBondContact O-N 2.63Å; V238-T242 VanDerWaalsContact O-N 3.08Å; V238-T242 PolarHBondContact O-OG1 3.37Å; V238-Q274 HydrophobicContact CG2-CB 4.09Å; V238-P275 HydrophobicContact CG2-CG 4.22Å
239Q98Very high96.9Very high23 Ų2334.5 Ų34.511%0.10717%0.168CC..Hα-helixtrans-65-38.2172.5-65.1-64.2-15.600111.8M185 N189 E235 F236 T242 G243M185-Q239 HydrophobicContact CB-CB 3.76Å; N189-Q239 PolarHBondContact ND2-O 3.37Å; N189-Q239 PolarHBondContact ND2-OE1 3.17Å; E235-Q239 PolarHBondContact O-N 2.86Å; F236-Q239 PolarHBondContact O-N 2.84Å; Q239-T242 WeakPolarHBondContact O-CB 3.46Å; Q239-T242 PolarHBondContact O-N 3.01Å; Q239-G243 PolarHBondContact O-N 3.11Å
240L98.4Very high96.9Very high0 Ų031.1 Ų31.10%016%0.159CC..Hα-helixtrans-61.8-47.9172.4175.161.3000111.9L203 M206 F236 V238 T242 G243 V244 I263L203-L240 HydrophobicContact CD1-CD1 3.9Å; L203-L240 HydrophobicContact CG-CD1 4.43Å; M206-L240 HydrophobicContact CE-CD1 3.79Å; F236-L240 WeakPolarHBondContact O-CB 3.49Å; F236-L240 PolarHBondContact O-N 2.83Å; V238-L240 VanDerWaalsContact C-N 3.34Å; L240-T242 VanDerWaalsContact C-N 3.26Å; L240-T242 PolarHBondContact O-N 3.5Å; L240-G243 PolarHBondContact O-N 3.11Å; L240-G243 VanDerWaalsContact O-N 3.15Å; L240-V244 HydrophobicContact CD1-CG2 4.07Å; L240-V244 HydrophobicContact CG-CG2 4.31Å; L240-V244 WeakPolarHBondContact O-CG2 3.42Å; L240-V244 PolarHBondContact O-N 3.31Å; L240-I263 HydrophobicContact CD2-CD1 3.81Å; L240-I263 HydrophobicContact CD2-CG1 4.18Å; L240-I263 HydrophobicContact CG-CD1 3.93Å
241L98.6Very high96.9Very high0 Ų034.1 Ų34.10%019%0.19CC..Hα-helixtrans-57.5-38.9177.2-79.3165.7000112.5M237 V238 G243 V244 Y245 L260 I263 P275 V278 A279 M282M237-L241 WeakPolarHBondContact O-CB 3.01Å; M237-L241 VanDerWaalsContact O-CG 3.31Å; M237-L241 WeakPolarHBondContact O-CG 3.21Å; M237-L241 PolarHBondContact O-N 2.89Å; V238-L241 PolarHBondContact O-N 3.38Å; L241-G243 PolarHBondContact O-N 3.16Å; L241-V244 PolarHBondContact O-N 3.32Å; L241-Y245 WeakPolarHBondContact O-CB 3.37Å; L241-Y245 PolarHBondContact O-N 2.96Å; L241-L260 HydrophobicContact CD2-CD1 3.79Å; L241-I263 HydrophobicContact CD1-CG2 3.91Å; L241-I263 HydrophobicContact CD2-CB 4.24Å; L241-I263 HydrophobicContact CD2-CD1 3.7Å; L241-I263 HydrophobicContact CD2-CG2 3.75Å; L241-I263 HydrophobicContact CG-CD1 4.04Å; L241-I263 HydrophobicContact CG-CG2 3.89Å; L241-P275 HydrophobicContact CD1-CB 4.17Å; L241-P275 WeakPolarHBondContact CD1-O 3.47Å; L241-V278 HydrophobicContact CB-CG1 4.06Å; L241-V278 HydrophobicContact CD1-CB 3.94Å; L241-V278 HydrophobicContact CD1-CG1 3.93Å; L241-A279 HydrophobicContact CD1-CB 3.97Å; L241-A279 HydrophobicContact CD2-CB 3.82Å; L241-M282 HydrophobicContact CB-SD 3.93Å; L241-M282 HydrophobicContact CD2-CE 3.94Å; L241-M282 HydrophobicContact CD2-SD 3.72Å; L241-M282 HydrophobicContact CG-SD 4.37Å
242T98Very high97Very high71 Ų7131 Ų3144%0.43617%0.17SC..Hα-helixtrans-58.9-46.4176.2-58.30000111.4V238 Q239 L240 Y246V238-T242 PolarHBondContact O-N 2.63Å; V238-T242 VanDerWaalsContact O-N 3.08Å; V238-T242 PolarHBondContact O-OG1 3.37Å; Q239-T242 WeakPolarHBondContact O-CB 3.46Å; Q239-T242 PolarHBondContact O-N 3.01Å; L240-T242 VanDerWaalsContact C-N 3.26Å; L240-T242 PolarHBondContact O-N 3.5Å; T242-Y246 PolarHBondContact O-N 3.37Å
243G98.2Very high96.9Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-71.9-35.9177.200000113.8L203 Q239 L240 L241 Y246 A247L203-G243 VanDerWaalsContact CD2-C 3.48Å; Q239-G243 PolarHBondContact O-N 3.11Å; L240-G243 PolarHBondContact O-N 3.11Å; L240-G243 VanDerWaalsContact O-N 3.15Å; L241-G243 PolarHBondContact O-N 3.16Å; G243-Y246 PolarHBondContact O-N 2.82Å; G243-A247 WeakPolarHBondContact O-CB 3.29Å; G243-A247 PolarHBondContact O-N 2.89Å
244V98.3Very high96.8Very high0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-61.2-47.4173.7165.20000111L240 L241 Y246 A247 M248 V259 I263 M282L240-V244 HydrophobicContact CD1-CG2 4.07Å; L240-V244 HydrophobicContact CG-CG2 4.31Å; L240-V244 WeakPolarHBondContact O-CG2 3.42Å; L240-V244 PolarHBondContact O-N 3.31Å; L241-V244 PolarHBondContact O-N 3.32Å; V244-Y246 VanDerWaalsContact C-N 3.27Å; V244-Y246 PolarHBondContact O-N 2.98Å; V244-A247 WeakPolarHBondContact O-CB 3.13Å; V244-A247 PolarHBondContact O-N 3.08Å; V244-A247 VanDerWaalsContact O-N 3.08Å; V244-M248 HydrophobicContact CG1-CG 4.49Å; V244-M248 HydrophobicContact CG1-SD 4.09Å; V244-M248 WeakPolarHBondContact O-CG 3.38Å; V244-M248 PolarHBondContact O-N 3.38Å; V244-V259 HydrophobicContact CB-CG1 4.24Å; V244-V259 HydrophobicContact CG1-CG1 3.58Å; V244-V259 HydrophobicContact CG2-CG1 3.56Å; V244-V259 HydrophobicContact CG2-CG2 4.17Å; V244-I263 HydrophobicContact CG2-CD1 4.37Å; V244-M282 HydrophobicContact CG1-CE 4.08Å
245Y97.6Very high96.8Very high69 Ų6935.4 Ų35.427%0.27119%0.189SC..Hα-helixtrans-56.5-43.6177.7-169.9-109.2000111.3L241 Y249 M282L241-Y245 WeakPolarHBondContact O-CB 3.37Å; L241-Y245 PolarHBondContact O-N 2.96Å; Y245-Y249 HydrophobicContact CD1-CD2 4.5Å; Y245-Y249 HydrophobicContact CD2-CE2 4.13Å; Y245-Y249 HydrophobicContact CE1-CD2 4.3Å; Y245-Y249 HydrophobicContact CE1-CE2 4.02Å; Y245-Y249 HydrophobicContact CE2-CD2 4.47Å; Y245-Y249 AromaticContact CE2-CE2 3.64Å; Y245-Y249 HydrophobicContact CE2-CE2 3.64Å; Y245-Y249 AromaticContact CZ-CE2 3.57Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.36Å; Y245-M282 HydrophobicContact CD2-CB 4.2Å; Y245-M282 HydrophobicContact CD2-CE 3.95Å; Y245-M282 HydrophobicContact CD2-CG 3.62Å; Y245-M282 HydrophobicContact CD2-SD 4.22Å; Y245-M282 HydrophobicContact CE2-CB 4.48Å; Y245-M282 HydrophobicContact CE2-CG 4.1Å; Y245-M282 HydrophobicContact CG-CE 4.35Å; Y245-M282 HydrophobicContact CG-CG 4.36Å
246Y97Very high96.8Very high59 Ų5931.2 Ų31.223%0.23117%0.169CC..Hα-helixtrans-63.8-45174.8-170.6-91.7000112.4I192 V193 Y200 T242 G243 V244 M248 Y249 N250I192-Y246 HydrophobicContact CB-CD1 4.42Å; I192-Y246 HydrophobicContact CD1-CD1 3.84Å; I192-Y246 HydrophobicContact CD1-CG 4.03Å; I192-Y246 HydrophobicContact CG1-CD1 3.67Å; I192-Y246 HydrophobicContact CG1-CE1 4.21Å; I192-Y246 HydrophobicContact CG1-CG 4.22Å; I192-Y246 HydrophobicContact CG2-CD1 3.98Å; I192-Y246 HydrophobicContact CG2-CD2 4.13Å; I192-Y246 HydrophobicContact CG2-CE1 4.23Å; I192-Y246 HydrophobicContact CG2-CE2 4.39Å; I192-Y246 HydrophobicContact CG2-CG 3.93Å; V193-Y246 WeakPolarHBondContact CA-OH 3.26Å; V193-Y246 HydrophobicContact CG2-CE2 4.01Å; Y200-Y246 HydrophobicContact CE1-CD1 4.05Å; Y200-Y246 HydrophobicContact CE1-CE1 4.01Å; Y200-Y246 AromaticContact CZ-CE1 3.79Å; Y200-Y246 WeakPolarHBondContact OH-CE1 3.33Å; T242-Y246 PolarHBondContact O-N 3.37Å; G243-Y246 PolarHBondContact O-N 2.82Å; V244-Y246 VanDerWaalsContact C-N 3.27Å; V244-Y246 PolarHBondContact O-N 2.98Å; Y246-M248 VanDerWaalsContact C-N 3.33Å; Y246-M248 PolarHBondContact O-N 3.04Å; Y246-Y249 PolarHBondContact O-N 3.4Å; Y246-N250 HydrophobicContact CE1-CB 4.24Å; Y246-N250 VanDerWaalsContact CE1-ND2 3.26Å; Y246-N250 WeakPolarHBondContact CE1-ND2 3.47Å; Y246-N250 PolarHBondContact O-N 2.84Å; Y246-N250 VanDerWaalsContact O-N 3.16Å; Y246-N250 PolarHBondContact O-ND2 2.96Å; Y246-N250 PolarHBondContact OH-OD1 2.89Å
247A96.8Very high96.8Very high0 Ų033.6 Ų33.60%018%0.18CC..Hα-helixtrans-60.9-37.4179.600000113.3Y200 G243 V244 N250 Q252Y200-A247 HydrophobicContact CG-CB 4.38Å; G243-A247 WeakPolarHBondContact O-CB 3.29Å; G243-A247 PolarHBondContact O-N 2.89Å; V244-A247 WeakPolarHBondContact O-CB 3.13Å; V244-A247 PolarHBondContact O-N 3.08Å; V244-A247 VanDerWaalsContact O-N 3.08Å; A247-N250 CarbonylContact O-C 3.59Å; A247-N250 PolarHBondContact O-N 2.91Å; A247-N250 VanDerWaalsContact O-N 3.11Å; A247-Q252 HydrophobicContact CB-CB 4.32Å; A247-Q252 WeakPolarHBondContact O-CB 3.47Å; A247-Q252 PolarHBondContact O-N 3.48Å
248M95.8Very high96.7Very high2 Ų237.2 Ų37.21%0.0120%0.197CC..Hα-helixtrans-59.1-47.1176.4-70.4173.192.400112V244 Y246 N250 W253 Q257 L260 M282 L286V244-M248 HydrophobicContact CG1-CG 4.49Å; V244-M248 HydrophobicContact CG1-SD 4.09Å; V244-M248 WeakPolarHBondContact O-CG 3.38Å; V244-M248 PolarHBondContact O-N 3.38Å; Y246-M248 VanDerWaalsContact C-N 3.33Å; Y246-M248 PolarHBondContact O-N 3.04Å; M248-N250 PolarHBondContact O-N 3.2Å; M248-W253 HydrophobicContact CB-CE3 4.41Å; M248-Q257 HydrophobicContact CE-CB 4.39Å; M248-Q257 HydrophobicContact CE-CG 3.69Å; M248-L260 HydrophobicContact CE-CD2 4.25Å; M248-L260 HydrophobicContact SD-CD2 4.46Å; M248-M282 HydrophobicContact SD-CE 4.47Å; M248-L286 HydrophobicContact CE-CD1 3.4Å; M248-L286 HydrophobicContact CE-CD2 3.76Å; M248-L286 HydrophobicContact CE-CG 4.25Å; M248-L286 HydrophobicContact SD-CD1 4.11Å; M248-L286 HydrophobicContact SD-CD2 4.18Å
249Y95.1Very high96.6Very high55 Ų5535.7 Ų35.722%0.21619%0.188CC..Hα-helixtrans-77-5.3177-70.9-69.6000114.1Y245 Y246 L286 P287 P291 V300Y245-Y249 HydrophobicContact CD1-CD2 4.5Å; Y245-Y249 HydrophobicContact CD2-CE2 4.13Å; Y245-Y249 HydrophobicContact CE1-CD2 4.3Å; Y245-Y249 HydrophobicContact CE1-CE2 4.02Å; Y245-Y249 HydrophobicContact CE2-CD2 4.47Å; Y245-Y249 AromaticContact CE2-CE2 3.64Å; Y245-Y249 HydrophobicContact CE2-CE2 3.64Å; Y245-Y249 AromaticContact CZ-CE2 3.57Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.36Å; Y246-Y249 PolarHBondContact O-N 3.4Å; Y249-L286 HydrophobicContact CE2-CD2 4.1Å; Y249-P287 WeakPolarHBondContact OH-CD 3.46Å; Y249-P291 HydrophobicContact CD1-CG 4.1Å; Y249-V300 HydrophobicContact CD1-CB 4.5Å; Y249-V300 HydrophobicContact CD1-CG1 3.66Å; Y249-V300 HydrophobicContact CE1-CG1 3.48Å; Y249-V300 VanDerWaalsContact CE1-CG1 3.48Å
250N95Very high96.7Very high62 Ų6234.6 Ų34.633%0.33218%0.183SC..THydrogen-bonded Turntrans-115.541.6176.4-70.9-94.2000111.5Y200 Y246 A247 M248 Q252Y200-N250 HydrophobicContact CD2-CB 4.28Å; Y200-N250 HydrophobicContact CE2-CB 3.97Å; Y246-N250 HydrophobicContact CE1-CB 4.24Å; Y246-N250 VanDerWaalsContact CE1-ND2 3.26Å; Y246-N250 WeakPolarHBondContact CE1-ND2 3.47Å; Y246-N250 PolarHBondContact O-N 2.84Å; Y246-N250 VanDerWaalsContact O-N 3.16Å; Y246-N250 PolarHBondContact O-ND2 2.96Å; Y246-N250 PolarHBondContact OH-OD1 2.89Å; A247-N250 CarbonylContact O-C 3.59Å; A247-N250 PolarHBondContact O-N 2.91Å; A247-N250 VanDerWaalsContact O-N 3.11Å; M248-N250 PolarHBondContact O-N 3.2Å; N250-Q252 PolarHBondContact O-N 3.31Å; N250-Q252 PolarHBondContact O-NE2 3.35Å
251G92.9Very high96.6Very high63 Ų6337 Ų3765%0.64920%0.196SC*.THydrogen-bonded Turntrans78.58.1167.400000116.2
252Q95.2Very high96.6Very high22 Ų2237 Ų3710%0.10320%0.196CC..  trans-103.446.3171.9-49.8-42.8-67.800111.1Q201 A247 N250 G256Q201-Q252 HydrophobicContact CG-CG 4.31Å; A247-Q252 HydrophobicContact CB-CB 4.32Å; A247-Q252 WeakPolarHBondContact O-CB 3.47Å; A247-Q252 PolarHBondContact O-N 3.48Å; N250-Q252 PolarHBondContact O-N 3.31Å; N250-Q252 PolarHBondContact O-NE2 3.35Å; Q252-G256 WeakPolarHBondContact O-CA 3.24Å; Q252-G256 PolarHBondContact O-N 3.37Å
253W95.1Very high96.6Very high28 Ų2833.6 Ų33.611%0.10618%0.175CC..Hα-helixtrans-55.8-57.5-173.8-177.7-100.4000113M248 L255 G256 Q257 L286 P287 A290M248-W253 HydrophobicContact CB-CE3 4.41Å; W253-L255 PolarHBondContact O-N 3.08Å; W253-G256 CarbonylContact O-C 3.52Å; W253-G256 WeakPolarHBondContact O-CA 3.48Å; W253-G256 PolarHBondContact O-N 3.11Å; W253-G256 VanDerWaalsContact O-N 3.09Å; W253-Q257 HydrophobicContact CD2-CG 4.44Å; W253-Q257 WeakPolarHBondContact O-CG 3.5Å; W253-Q257 PolarHBondContact O-N 3.04Å; W253-L286 HydrophobicContact CH2-CB 4.22Å; W253-L286 HydrophobicContact CH2-CD2 3.86Å; W253-L286 HydrophobicContact CZ3-CD2 3.65Å; W253-P287 HydrophobicContact CH2-CG 3.75Å; W253-P287 WeakPolarHBondContact CH2-O 3.43Å; W253-P287 HydrophobicContact CZ3-CG 4.12Å; W253-A290 HydrophobicContact CB-CB 3.92Å; W253-A290 HydrophobicContact CD2-CB 3.69Å; W253-A290 HydrophobicContact CE3-CB 4.21Å; W253-A290 HydrophobicContact CG-CB 3.54Å
254D95.6Very high96.6Very high129 Ų12934.2 Ų34.269%0.6918%0.178SC*.Hα-helixtrans-64.4-45.8-172.9-46.6-53.5000112G256 Q257 E258D254-G256 PolarHBondContact O-N 2.98Å; D254-Q257 PolarHBondContact O-N 3.33Å; D254-E258 WeakPolarHBondContact O-CB 3.45Å; D254-E258 PolarHBondContact O-N 3.06Å
255L96.3Very high96.6Very high40 Ų4036.5 Ų36.521%0.20919%0.187CC..Hα-helixtrans-63.5-32.9175.4-66.7173.7000111.9Q201 C204 W253 V259Q201-L255 HydrophobicContact CB-CD1 4.24Å; Q201-L255 HydrophobicContact CG-CD1 3.78Å; C204-L255 HydrophobicContact CB-CB 3.81Å; W253-L255 PolarHBondContact O-N 3.08Å; L255-V259 WeakPolarHBondContact O-CG1 3.42Å; L255-V259 PolarHBondContact O-N 3.41Å; L255-V259 VanDerWaalsContact O-N 3.11Å
256G97Very high96.7Very high0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-73.3-38.917700000113.3Q252 W253 D254 V259 L260Q252-G256 WeakPolarHBondContact O-CA 3.24Å; Q252-G256 PolarHBondContact O-N 3.37Å; W253-G256 CarbonylContact O-C 3.52Å; W253-G256 WeakPolarHBondContact O-CA 3.48Å; W253-G256 PolarHBondContact O-N 3.11Å; W253-G256 VanDerWaalsContact O-N 3.09Å; D254-G256 PolarHBondContact O-N 2.98Å; G256-V259 WeakPolarHBondContact O-CG1 3.49Å; G256-L260 WeakPolarHBondContact O-CB 3.46Å; G256-L260 PolarHBondContact O-N 2.92Å
257Q96.4Very high96.7Very high50 Ų5030.4 Ų30.423%0.23416%0.163CC..Hα-helixtrans-66.3-44.5171.5-69-70.32.800110.7M248 W253 D254 V259 L260 D261M248-Q257 HydrophobicContact CE-CB 4.39Å; M248-Q257 HydrophobicContact CE-CG 3.69Å; W253-Q257 HydrophobicContact CD2-CG 4.44Å; W253-Q257 WeakPolarHBondContact O-CG 3.5Å; W253-Q257 PolarHBondContact O-N 3.04Å; D254-Q257 PolarHBondContact O-N 3.33Å; Q257-V259 PolarHBondContact O-N 2.97Å; Q257-L260 PolarHBondContact O-N 2.98Å; Q257-D261 PolarHBondContact O-N 3.4Å
258E96.3Very high96.8Very high76 Ų7635.4 Ų35.436%0.35519%0.187SC..Hα-helixtrans-56.3-50.9176.9-176.7-175.8-173.800111.5K221 D254 D261 D262K221-E258 VanDerWaalsContact NZ-CG 3.25Å; K221-E258 IonicContact NZ-OE1 3.33Å; K221-E258 PolarHBondContact NZ-OE1 3.29Å; D254-E258 WeakPolarHBondContact O-CB 3.45Å; D254-E258 PolarHBondContact O-N 3.06Å; E258-D261 PolarHBondContact O-N 3.47Å; E258-D262 VanDerWaalsContact O-CG 3.32Å; E258-D262 PolarHBondContact O-N 2.91Å
259V97.9Very high96.9Very high0 Ų039.4 Ų39.40%021%0.207CC..Hα-helixtrans-71.7-32.2-179.967.40000112.9C204 G207 S208 V244 L255 G256 Q257 D262 I263C204-V259 HydrophobicContact CB-CG1 4.08Å; G207-V259 VanDerWaalsContact C-CG2 3.45Å; S208-V259 VanDerWaalsContact N-CG2 3.28Å; V244-V259 HydrophobicContact CB-CG1 4.24Å; V244-V259 HydrophobicContact CG1-CG1 3.58Å; V244-V259 HydrophobicContact CG2-CG1 3.56Å; V244-V259 HydrophobicContact CG2-CG2 4.17Å; L255-V259 WeakPolarHBondContact O-CG1 3.42Å; L255-V259 PolarHBondContact O-N 3.41Å; L255-V259 VanDerWaalsContact O-N 3.11Å; G256-V259 WeakPolarHBondContact O-CG1 3.49Å; Q257-V259 PolarHBondContact O-N 2.97Å; V259-D262 PolarHBondContact O-N 3.32Å; V259-I263 HydrophobicContact CG2-CD1 3.86Å; V259-I263 HydrophobicContact CG2-CG1 4.26Å; V259-I263 WeakPolarHBondContact O-CB 3.28Å; V259-I263 WeakPolarHBondContact O-CD1 3.48Å; V259-I263 VanDerWaalsContact O-CG1 3.23Å; V259-I263 WeakPolarHBondContact O-CG1 3.45Å; V259-I263 PolarHBondContact O-N 3.08Å
260L98.2Very high97Very high0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-61.1-47.1173.8177.855.5000110.9L241 M248 G256 Q257 D262 I263 I264 A279 M282 K283 L286L241-L260 HydrophobicContact CD2-CD1 3.79Å; M248-L260 HydrophobicContact CE-CD2 4.25Å; M248-L260 HydrophobicContact SD-CD2 4.46Å; G256-L260 WeakPolarHBondContact O-CB 3.46Å; G256-L260 PolarHBondContact O-N 2.92Å; Q257-L260 PolarHBondContact O-N 2.98Å; L260-D262 VanDerWaalsContact C-N 3.34Å; L260-D262 PolarHBondContact O-N 2.91Å; L260-I263 PolarHBondContact O-N 2.98Å; L260-I264 HydrophobicContact CD1-CD1 4.28Å; L260-I264 HydrophobicContact CG-CD1 4.25Å; L260-I264 WeakPolarHBondContact O-CG1 3.35Å; L260-I264 PolarHBondContact O-N 2.94Å; L260-A279 HydrophobicContact CD1-CB 3.73Å; L260-M282 HydrophobicContact CD1-CB 4.32Å; L260-M282 HydrophobicContact CD1-CE 3.84Å; L260-M282 HydrophobicContact CD1-SD 4.47Å; L260-M282 HydrophobicContact CD2-CB 4.24Å; L260-M282 HydrophobicContact CD2-CE 4.37Å; L260-K283 HydrophobicContact CD2-CB 4.29Å; L260-L286 HydrophobicContact CD2-CD1 3.62Å
261D97.8Very high97.1Very high51 Ų5143.9 Ų43.927%0.27323%0.232SC..Hα-helixtrans-67.4-32.4176.4-90.81.5000112.9R217 Q257 E258 Y265 K283R217-D261 PolarHBondContact NH1-O 2.84Å; Q257-D261 PolarHBondContact O-N 3.4Å; E258-D261 PolarHBondContact O-N 3.47Å; D261-Y265 WeakPolarHBondContact O-CB 3.43Å; D261-Y265 PolarHBondContact O-N 3.13Å; D261-K283 IonicContact OD1-NZ 3.38Å; D261-K283 PolarHBondContact OD1-NZ 3.25Å; D261-K283 IonicContact OD2-NZ 2.71Å; D261-K283 PolarHBondContact OD2-NZ 3.28Å
262D98.1Very high97.4Very high0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-69.2-35.7173.2-72.8-22.1000112.7S208 C211 V212 R217 K221 E258 V259 L260 R266S208-D262 VanDerWaalsContact CB-OD2 3.28Å; S208-D262 WeakPolarHBondContact CB-OD2 3.47Å; S208-D262 PolarHBondContact OG-OD2 3.32Å; C211-D262 HydrophobicContact CB-CB 4.18Å; V212-D262 HydrophobicContact CG1-CB 3.76Å; V212-D262 VanDerWaalsContact CG1-CG 3.41Å; V212-D262 WeakPolarHBondContact CG1-OD1 3.37Å; R217-D262 WeakPolarHBondContact CD-OD1 3.34Å; R217-D262 IonicContact CZ-OD1 2.64Å; R217-D262 IonicContact NE-OD1 2.7Å; R217-D262 IonicContact NH1-OD1 2.66Å; R217-D262 PolarHBondContact NH1-OD1 3.32Å; K221-D262 WeakPolarHBondContact CE-OD2 3.46Å; K221-D262 VanDerWaalsContact NZ-CG 3.34Å; K221-D262 IonicContact NZ-OD1 2.73Å; K221-D262 PolarHBondContact NZ-OD1 3.13Å; K221-D262 IonicContact NZ-OD2 3.2Å; K221-D262 PolarHBondContact NZ-OD2 2.91Å; E258-D262 VanDerWaalsContact O-CG 3.32Å; E258-D262 PolarHBondContact O-N 2.91Å; V259-D262 PolarHBondContact O-N 3.32Å; L260-D262 VanDerWaalsContact C-N 3.34Å; L260-D262 PolarHBondContact O-N 2.91Å; D262-R266 WeakPolarHBondContact O-CB 3.27Å; D262-R266 PolarHBondContact O-N 3.46Å
263I98.4Very high97.5Very high0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-68-42.9173.7-70.1162.2000110.5C211 M237 L240 L241 V244 V259 L260 R266 A267 A279C211-I263 VanDerWaalsContact SG-CG1 3.53Å; M237-I263 HydrophobicContact CE-CG2 3.85Å; L240-I263 HydrophobicContact CD2-CD1 3.81Å; L240-I263 HydrophobicContact CD2-CG1 4.18Å; L240-I263 HydrophobicContact CG-CD1 3.93Å; L241-I263 HydrophobicContact CD1-CG2 3.91Å; L241-I263 HydrophobicContact CD2-CB 4.24Å; L241-I263 HydrophobicContact CD2-CD1 3.7Å; L241-I263 HydrophobicContact CD2-CG2 3.75Å; L241-I263 HydrophobicContact CG-CD1 4.04Å; L241-I263 HydrophobicContact CG-CG2 3.89Å; V244-I263 HydrophobicContact CG2-CD1 4.37Å; V259-I263 HydrophobicContact CG2-CD1 3.86Å; V259-I263 HydrophobicContact CG2-CG1 4.26Å; V259-I263 WeakPolarHBondContact O-CB 3.28Å; V259-I263 WeakPolarHBondContact O-CD1 3.48Å; V259-I263 VanDerWaalsContact O-CG1 3.23Å; V259-I263 WeakPolarHBondContact O-CG1 3.45Å; V259-I263 PolarHBondContact O-N 3.08Å; L260-I263 PolarHBondContact O-N 2.98Å; I263-R266 PolarHBondContact O-N 3.04Å; I263-A267 VanDerWaalsContact O-CB 3.23Å; I263-A267 WeakPolarHBondContact O-CB 3.47Å; I263-A267 PolarHBondContact O-N 3.44Å; I263-A279 HydrophobicContact CG2-CB 4.38Å
264I98.4Very high97.6Very high12 Ų1250.4 Ų50.46%0.06226%0.257CS..Hα-helixtrans-59.3-50.4175-68.8168.4000110.1L260 R266 A267 Q268 L276 A279 K283L260-I264 HydrophobicContact CD1-CD1 4.28Å; L260-I264 HydrophobicContact CG-CD1 4.25Å; L260-I264 WeakPolarHBondContact O-CG1 3.35Å; L260-I264 PolarHBondContact O-N 2.94Å; I264-R266 PolarHBondContact O-N 3.19Å; I264-A267 PolarHBondContact O-N 2.97Å; I264-Q268 HydrophobicContact CG2-CG 4.43Å; I264-Q268 WeakPolarHBondContact O-CB 3.28Å; I264-Q268 VanDerWaalsContact O-CG 3.27Å; I264-Q268 WeakPolarHBondContact O-CG 3.32Å; I264-Q268 PolarHBondContact O-N 2.95Å; I264-L276 HydrophobicContact CG2-CD1 4.14Å; I264-A279 HydrophobicContact CD1-CB 4.24Å; I264-A279 HydrophobicContact CG1-CB 3.53Å; I264-K283 HydrophobicContact CD1-CB 4.34Å; I264-K283 HydrophobicContact CD1-CD 3.72Å
265Y98.3Very high97.8Very high48 Ų4844.3 Ų44.319%0.18822%0.224CC..Hα-helixtrans-54.8-48.3176.2171.2-101000112F215 R217 D261 Q268 L269F215-Y265 HydrophobicContact CB-CE1 3.92Å; F215-Y265 HydrophobicContact CG-CE1 4.46Å; R217-Y265 HydrophobicContact CB-CD1 4.11Å; R217-Y265 HydrophobicContact CB-CE1 3.5Å; R217-Y265 VanDerWaalsContact CB-CE1 3.5Å; R217-Y265 HydrophobicContact CB-CE2 4.2Å; R217-Y265 HydrophobicContact CG-CE1 4.43Å; R217-Y265 PolarHBondContact N-OH 3Å; D261-Y265 WeakPolarHBondContact O-CB 3.43Å; D261-Y265 PolarHBondContact O-N 3.13Å; Y265-Q268 PolarHBondContact O-N 2.88Å; Y265-L269 HydrophobicContact CD1-CD1 4.19Å; Y265-L269 HydrophobicContact CD2-CD1 4.43Å; Y265-L269 HydrophobicContact CE1-CD1 3.64Å; Y265-L269 HydrophobicContact CE2-CD1 3.92Å; Y265-L269 WeakPolarHBondContact O-CG 3.14Å; Y265-L269 PolarHBondContact O-N 3.06Å; Y265-L269 VanDerWaalsContact O-N 3.14Å
266R98.2Very high97.9Very high0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-66.7-42.7179.9-17856178.2-74.6-3.8112.5V210 C211 F215 I230 M237 D262 I263 I264 Q268 L269 E270V210-R266 PolarHBondContact O-NH1 2.88Å; C211-R266 HydrophobicContact CB-CB 3.92Å; C211-R266 HydrophobicContact CB-CG 4.33Å; C211-R266 VanDerWaalsContact O-CD 3.32Å; C211-R266 WeakPolarHBondContact O-CD 3.42Å; C211-R266 PolarHBondContact O-NH1 3.12Å; F215-R266 VanDerWaalsContact CE2-CZ 3.46Å; I230-R266 PolarHBondContact O-NH1 3.17Å; I230-R266 PolarHBondContact O-NH2 3.35Å; M237-R266 HydrophobicContact CE-CB 4.12Å; M237-R266 HydrophobicContact CE-CG 3.98Å; M237-R266 HydrophobicContact SD-CG 4.36Å; D262-R266 WeakPolarHBondContact O-CB 3.27Å; D262-R266 PolarHBondContact O-N 3.46Å; I263-R266 PolarHBondContact O-N 3.04Å; I264-R266 PolarHBondContact O-N 3.19Å; R266-Q268 VanDerWaalsContact C-N 3.32Å; R266-Q268 PolarHBondContact O-N 2.91Å; R266-L269 PolarHBondContact O-N 2.78Å; R266-E270 HydrophobicContact CG-CG 4.39Å; R266-E270 IonicContact CZ-OE1 2.73Å; R266-E270 VanDerWaalsContact NE-CG 3.26Å; R266-E270 IonicContact NE-OE1 3.2Å; R266-E270 PolarHBondContact NE-OE1 3.44Å; R266-E270 IonicContact NH2-OE1 2.72Å; R266-E270 PolarHBondContact NH2-OE1 3.08Å; R266-E270 WeakPolarHBondContact O-CG 3.46Å; R266-E270 PolarHBondContact O-N 3.4Å
267A98.3Very high97.9Very high0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-67.5-31.7179.600000112.5M237 I263 I264 L271 F272 P275 L276M237-A267 HydrophobicContact CE-CB 4.25Å; I263-A267 VanDerWaalsContact O-CB 3.23Å; I263-A267 WeakPolarHBondContact O-CB 3.47Å; I263-A267 PolarHBondContact O-N 3.44Å; I264-A267 PolarHBondContact O-N 2.97Å; A267-L271 CarbonylContact O-C 3.59Å; A267-L271 WeakPolarHBondContact O-CA 3.45Å; A267-L271 PolarHBondContact O-N 2.96Å; A267-L271 VanDerWaalsContact O-N 3.08Å; A267-F272 HydrophobicContact CB-CB 4.33Å; A267-F272 PolarHBondContact O-N 2.94Å; A267-P275 HydrophobicContact CB-CB 4.01Å; A267-L276 HydrophobicContact CB-CB 3.94Å
268Q98.1Very high98Very high105 Ų10550.3 Ų50.349%0.49126%0.259SS..Hα-helixtrans-66.4-43170.5-74.3172.3-9.100112.2I264 Y265 R266 L271 L276I264-Q268 HydrophobicContact CG2-CG 4.43Å; I264-Q268 WeakPolarHBondContact O-CB 3.28Å; I264-Q268 VanDerWaalsContact O-CG 3.27Å; I264-Q268 WeakPolarHBondContact O-CG 3.32Å; I264-Q268 PolarHBondContact O-N 2.95Å; Y265-Q268 PolarHBondContact O-N 2.88Å; R266-Q268 VanDerWaalsContact C-N 3.32Å; R266-Q268 PolarHBondContact O-N 2.91Å; Q268-L271 PolarHBondContact O-N 3.1Å; Q268-L276 HydrophobicContact CG-CD1 3.85Å; Q268-L276 HydrophobicContact CG-CD2 4.18Å
269L97.7Very high98.1Very high86 Ų8646.7 Ų46.745%0.4524%0.242SC..Hα-helixtrans-70.5-37.3-179-70.9179.1000113.8F215 Y265 R266F215-L269 HydrophobicContact CD1-CD1 3.5Å; F215-L269 VanDerWaalsContact CD1-CD1 3.5Å; F215-L269 HydrophobicContact CE1-CB 4.35Å; F215-L269 HydrophobicContact CE1-CD1 3.83Å; F215-L269 HydrophobicContact CG-CD1 4.25Å; Y265-L269 HydrophobicContact CD1-CD1 4.19Å; Y265-L269 HydrophobicContact CD2-CD1 4.43Å; Y265-L269 HydrophobicContact CE1-CD1 3.64Å; Y265-L269 HydrophobicContact CE2-CD1 3.92Å; Y265-L269 WeakPolarHBondContact O-CG 3.14Å; Y265-L269 PolarHBondContact O-N 3.06Å; Y265-L269 VanDerWaalsContact O-N 3.14Å; R266-L269 PolarHBondContact O-N 2.78Å
270E97.2Very high98.1Very high59 Ų5949.7 Ų49.728%0.27626%0.258SS..THydrogen-bonded Turntrans-910.5178.4-51.4-80.7-149.300112.6R266 F272R266-E270 HydrophobicContact CG-CG 4.39Å; R266-E270 IonicContact CZ-OE1 2.73Å; R266-E270 VanDerWaalsContact NE-CG 3.26Å; R266-E270 IonicContact NE-OE1 3.2Å; R266-E270 PolarHBondContact NE-OE1 3.44Å; R266-E270 IonicContact NH2-OE1 2.72Å; R266-E270 PolarHBondContact NH2-OE1 3.08Å; R266-E270 WeakPolarHBondContact O-CG 3.46Å; R266-E270 PolarHBondContact O-N 3.4Å; E270-F272 HydrophobicContact CB-CD1 3.77Å; E270-F272 HydrophobicContact CB-CD2 3.96Å; E270-F272 HydrophobicContact CB-CE1 3.69Å; E270-F272 HydrophobicContact CB-CE2 3.89Å; E270-F272 HydrophobicContact CB-CG 3.91Å; E270-F272 HydrophobicContact CB-CZ 3.75Å; E270-F272 HydrophobicContact CG-CE2 4.2Å; E270-F272 HydrophobicContact CG-CZ 4.26Å; E270-F272 VanDerWaalsContact O-CD1 3.31Å; E270-F272 WeakPolarHBondContact O-CD1 3.45Å; E270-F272 PolarHBondContact O-N 2.8Å
271L97.9Very high98.1Very high152 Ų15252.4 Ų52.480%0.79628%0.281SS*.THydrogen-bonded Turntrans5730.3-176-56.5173.4000114.6A267 Q268 S273A267-L271 CarbonylContact O-C 3.59Å; A267-L271 WeakPolarHBondContact O-CA 3.45Å; A267-L271 PolarHBondContact O-N 2.96Å; A267-L271 VanDerWaalsContact O-N 3.08Å; Q268-L271 PolarHBondContact O-N 3.1Å; L271-S273 PolarHBondContact O-N 2.83Å; L271-S273 VanDerWaalsContact O-N 3.15Å
272F98.1Very high98Very high44 Ų4450.6 Ų50.619%0.19327%0.271CS..  trans-76.1100.5-178.8-67.9-12.8000111.9L232 P234 M237 A267 E270 Q274 P275 L276L232-F272 WeakPolarHBondContact O-CZ 3.44Å; P234-F272 HydrophobicContact CB-CB 4.32Å; P234-F272 HydrophobicContact CB-CD2 4.16Å; P234-F272 HydrophobicContact CB-CG 4.14Å; M237-F272 HydrophobicContact SD-CD2 3.73Å; M237-F272 HydrophobicContact SD-CE2 3.96Å; A267-F272 HydrophobicContact CB-CB 4.33Å; A267-F272 PolarHBondContact O-N 2.94Å; E270-F272 HydrophobicContact CB-CD1 3.77Å; E270-F272 HydrophobicContact CB-CD2 3.96Å; E270-F272 HydrophobicContact CB-CE1 3.69Å; E270-F272 HydrophobicContact CB-CE2 3.89Å; E270-F272 HydrophobicContact CB-CG 3.91Å; E270-F272 HydrophobicContact CB-CZ 3.75Å; E270-F272 HydrophobicContact CG-CE2 4.2Å; E270-F272 HydrophobicContact CG-CZ 4.26Å; E270-F272 VanDerWaalsContact O-CD1 3.31Å; E270-F272 WeakPolarHBondContact O-CD1 3.45Å; E270-F272 PolarHBondContact O-N 2.8Å; F272-Q274 PolarHBondContact O-N 3.02Å; F272-P275 HydrophobicContact CB-CG 3.99Å; F272-L276 VanDerWaalsContact O-CB 3.24Å; F272-L276 WeakPolarHBondContact O-CB 2.95Å; F272-L276 PolarHBondContact O-N 2.98Å
273S98.1Very high97.9Very high92 Ų9255 Ų5564%0.64329%0.29SS*.Hα-helixtrans-62.5-43-174.758.30000114.7L271 L277L271-S273 PolarHBondContact O-N 2.83Å; L271-S273 VanDerWaalsContact O-N 3.15Å; S273-L277 VanDerWaalsContact O-CB 3.28Å; S273-L277 WeakPolarHBondContact O-CB 3.15Å; S273-L277 PolarHBondContact O-N 3.26Å
274Q97.7Very high97.7Very high115 Ų11561.8 Ų61.854%0.53733%0.326SS..Hα-helixtrans-68.5-51.5-176.7-66.9178.60.800113.1V238 F272 L276 L277 V278V238-Q274 HydrophobicContact CG2-CB 4.09Å; F272-Q274 PolarHBondContact O-N 3.02Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 2.96Å; Q274-L277 PolarHBondContact O-N 2.94Å; Q274-V278 WeakPolarHBondContact O-CG2 3.31Å; Q274-V278 PolarHBondContact O-N 3.22Å
275P98.4Very high97.5Very high0 Ų064.1 Ų64.10%034%0.344CS..Hα-helixtrans-58.5-41.5173-24.334000112.6P234 M237 V238 L241 A267 F272 L277 V278 A279P234-P275 HydrophobicContact CB-CG 3.96Å; P234-P275 WeakPolarHBondContact O-CG 3.44Å; M237-P275 HydrophobicContact CB-CB 3.93Å; M237-P275 HydrophobicContact CB-CG 3.65Å; M237-P275 HydrophobicContact CE-CB 4.18Å; V238-P275 HydrophobicContact CG2-CG 4.22Å; L241-P275 HydrophobicContact CD1-CB 4.17Å; L241-P275 WeakPolarHBondContact CD1-O 3.47Å; A267-P275 HydrophobicContact CB-CB 4.01Å; F272-P275 HydrophobicContact CB-CG 3.99Å; P275-L277 PolarHBondContact O-N 2.88Å; P275-V278 PolarHBondContact O-N 3.41Å; P275-A279 WeakPolarHBondContact O-CB 3.31Å; P275-A279 PolarHBondContact O-N 3.5Å
276L98.4Very high97.1Very high41 Ų4163 Ų6322%0.21534%0.341CS..Hα-helixtrans-65.3-38.3180-174.357.6000112I264 A267 Q268 F272 Q274 N280I264-L276 HydrophobicContact CG2-CD1 4.14Å; A267-L276 HydrophobicContact CB-CB 3.94Å; Q268-L276 HydrophobicContact CG-CD1 3.85Å; Q268-L276 HydrophobicContact CG-CD2 4.18Å; F272-L276 VanDerWaalsContact O-CB 3.24Å; F272-L276 WeakPolarHBondContact O-CB 2.95Å; F272-L276 PolarHBondContact O-N 2.98Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 2.96Å; L276-N280 WeakPolarHBondContact CD1-ND2 3.38Å; L276-N280 VanDerWaalsContact O-CB 3.29Å; L276-N280 WeakPolarHBondContact O-CB 3.32Å; L276-N280 VanDerWaalsContact O-CG 3.25Å; L276-N280 PolarHBondContact O-N 3.39Å; L276-N280 PolarHBondContact O-ND2 3.13Å
277L98.5Very high96.7Very high127 Ų12765.6 Ų65.667%0.66536%0.358SS*.Hα-helixtrans-63.9-50.2174.7176.761.8000111.5S273 Q274 P275 A281S273-L277 VanDerWaalsContact O-CB 3.28Å; S273-L277 WeakPolarHBondContact O-CB 3.15Å; S273-L277 PolarHBondContact O-N 3.26Å; Q274-L277 PolarHBondContact O-N 2.94Å; P275-L277 PolarHBondContact O-N 2.88Å; L277-A281 WeakPolarHBondContact O-CB 3.35Å; L277-A281 PolarHBondContact O-N 2.88Å
278V98.3Very high95.9Very high48 Ų4874.9 Ų74.929%0.29140%0.398SS..Hα-helixtrans-65.7-43.8-178.9175.30000111.1L241 Q274 P275 A281 M282L241-V278 HydrophobicContact CB-CG1 4.06Å; L241-V278 HydrophobicContact CD1-CB 3.94Å; L241-V278 HydrophobicContact CD1-CG1 3.93Å; Q274-V278 WeakPolarHBondContact O-CG2 3.31Å; Q274-V278 PolarHBondContact O-N 3.22Å; P275-V278 PolarHBondContact O-N 3.41Å; V278-A281 WeakPolarHBondContact O-CB 3.49Å; V278-A281 PolarHBondContact O-N 2.9Å; V278-M282 HydrophobicContact CG1-SD 4.11Å; V278-M282 WeakPolarHBondContact O-CG 3.43Å; V278-M282 PolarHBondContact O-N 3.22Å
279A98.3Very high95Very high0 Ų075.1 Ų75.10%040%0.403CS..Hα-helixtrans-65.6-39.9179.200000112.7L241 L260 I263 I264 P275 M282 K283L241-A279 HydrophobicContact CD1-CB 3.97Å; L241-A279 HydrophobicContact CD2-CB 3.82Å; L260-A279 HydrophobicContact CD1-CB 3.73Å; I263-A279 HydrophobicContact CG2-CB 4.38Å; I264-A279 HydrophobicContact CD1-CB 4.24Å; I264-A279 HydrophobicContact CG1-CB 3.53Å; P275-A279 WeakPolarHBondContact O-CB 3.31Å; P275-A279 PolarHBondContact O-N 3.5Å; A279-M282 PolarHBondContact O-N 2.87Å; A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.38Å
280N97.7Very high94.3Very high63 Ų6373.3 Ų73.334%0.33740%0.4SS..Hα-helixtrans-67.3-36.2172.6-75.5-41.9000112.1L276 K283 N284L276-N280 WeakPolarHBondContact CD1-ND2 3.38Å; L276-N280 VanDerWaalsContact O-CB 3.29Å; L276-N280 WeakPolarHBondContact O-CB 3.32Å; L276-N280 VanDerWaalsContact O-CG 3.25Å; L276-N280 PolarHBondContact O-N 3.39Å; L276-N280 PolarHBondContact O-ND2 3.13Å; N280-K283 PolarHBondContact O-N 3.15Å; N280-N284 WeakPolarHBondContact O-CB 3.42Å; N280-N284 VanDerWaalsContact O-CG 3.29Å; N280-N284 PolarHBondContact O-N 3.27Å; N280-N284 PolarHBondContact O-ND2 3.38Å
281A97.8Very high93.5Very high58 Ų5872.4 Ų72.448%0.47940%0.4SS..Hα-helixtrans-63.5-42.1174.100000111.7L277 V278 N284 S285L277-A281 WeakPolarHBondContact O-CB 3.35Å; L277-A281 PolarHBondContact O-N 2.88Å; V278-A281 WeakPolarHBondContact O-CB 3.49Å; V278-A281 PolarHBondContact O-N 2.9Å; A281-N284 PolarHBondContact O-N 2.85Å; A281-S285 WeakPolarHBondContact O-CB 3.48Å; A281-S285 PolarHBondContact O-N 2.66Å; A281-S285 VanDerWaalsContact O-N 3.13Å; A281-S285 PolarHBondContact O-OG 3.28Å
282M96.9Very high91.9Very high12 Ų1270 Ų706%0.05939%0.388CS..Hα-helixtrans-61.7-49.4171.9-69.4167.451.400111.7L241 V244 Y245 M248 L260 V278 A279 N284 S285 L286L241-M282 HydrophobicContact CB-SD 3.93Å; L241-M282 HydrophobicContact CD2-CE 3.94Å; L241-M282 HydrophobicContact CD2-SD 3.72Å; L241-M282 HydrophobicContact CG-SD 4.37Å; V244-M282 HydrophobicContact CG1-CE 4.08Å; Y245-M282 HydrophobicContact CD2-CB 4.2Å; Y245-M282 HydrophobicContact CD2-CE 3.95Å; Y245-M282 HydrophobicContact CD2-CG 3.62Å; Y245-M282 HydrophobicContact CD2-SD 4.22Å; Y245-M282 HydrophobicContact CE2-CB 4.48Å; Y245-M282 HydrophobicContact CE2-CG 4.1Å; Y245-M282 HydrophobicContact CG-CE 4.35Å; Y245-M282 HydrophobicContact CG-CG 4.36Å; M248-M282 HydrophobicContact SD-CE 4.47Å; L260-M282 HydrophobicContact CD1-CB 4.32Å; L260-M282 HydrophobicContact CD1-CE 3.84Å; L260-M282 HydrophobicContact CD1-SD 4.47Å; L260-M282 HydrophobicContact CD2-CB 4.24Å; L260-M282 HydrophobicContact CD2-CE 4.37Å; V278-M282 HydrophobicContact CG1-SD 4.11Å; V278-M282 WeakPolarHBondContact O-CG 3.43Å; V278-M282 PolarHBondContact O-N 3.22Å; A279-M282 PolarHBondContact O-N 2.87Å; M282-N284 PolarHBondContact O-N 3.39Å; M282-S285 PolarHBondContact O-N 3.37Å; M282-S285 PolarHBondContact O-OG 3.12Å; M282-L286 WeakPolarHBondContact O-CD1 3.49Å; M282-L286 VanDerWaalsContact O-CG 3.27Å; M282-L286 WeakPolarHBondContact O-CG 3.44Å; M282-L286 PolarHBondContact O-N 3.34Å; M282-L286 VanDerWaalsContact O-N 3.12Å
283K95.5Very high90.1Very high94 Ų9473.1 Ų73.141%0.40942%0.415SS..Hα-helixtrans-60.6-29.2-179.1-168.5159.1-172.8164.80113.2L260 D261 I264 A279 N280L260-K283 HydrophobicContact CD2-CB 4.29Å; D261-K283 IonicContact OD1-NZ 3.38Å; D261-K283 PolarHBondContact OD1-NZ 3.25Å; D261-K283 IonicContact OD2-NZ 2.71Å; D261-K283 PolarHBondContact OD2-NZ 3.28Å; I264-K283 HydrophobicContact CD1-CB 4.34Å; I264-K283 HydrophobicContact CD1-CD 3.72Å; A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.38Å; N280-K283 PolarHBondContact O-N 3.15Å
284N94.7Very high88Confident141 Ų14174.7 Ų74.775%0.75442%0.421SS*.Hα-helixtrans-87.3-13.9175.2-68.4-38.6000114.5N280 A281 M282N280-N284 WeakPolarHBondContact O-CB 3.42Å; N280-N284 VanDerWaalsContact O-CG 3.29Å; N280-N284 PolarHBondContact O-N 3.27Å; N280-N284 PolarHBondContact O-ND2 3.38Å; A281-N284 PolarHBondContact O-N 2.85Å; M282-N284 PolarHBondContact O-N 3.39Å
285S93.5Very high85.8Confident62 Ų6273.4 Ų73.443%0.43442%0.415SS..Hα-helixtrans-101-13.6-18072.20000114.3A281 M282A281-S285 WeakPolarHBondContact O-CB 3.48Å; A281-S285 PolarHBondContact O-N 2.66Å; A281-S285 VanDerWaalsContact O-N 3.13Å; A281-S285 PolarHBondContact O-OG 3.28Å; M282-S285 PolarHBondContact O-N 3.37Å; M282-S285 PolarHBondContact O-OG 3.12Å
286L90.6Very high83.3Confident24 Ų2482.6 Ų82.613%0.12646%0.458CS..SBendtrans-71.7143.3179.6-75.5158.3000112M248 Y249 W253 L260 M282M248-L286 HydrophobicContact CE-CD1 3.4Å; M248-L286 HydrophobicContact CE-CD2 3.76Å; M248-L286 HydrophobicContact CE-CG 4.25Å; M248-L286 HydrophobicContact SD-CD1 4.11Å; M248-L286 HydrophobicContact SD-CD2 4.18Å; Y249-L286 HydrophobicContact CE2-CD2 4.1Å; W253-L286 HydrophobicContact CH2-CB 4.22Å; W253-L286 HydrophobicContact CH2-CD2 3.86Å; W253-L286 HydrophobicContact CZ3-CD2 3.65Å; L260-L286 HydrophobicContact CD2-CD1 3.62Å; M282-L286 WeakPolarHBondContact O-CD1 3.49Å; M282-L286 VanDerWaalsContact O-CG 3.27Å; M282-L286 WeakPolarHBondContact O-CG 3.44Å; M282-L286 PolarHBondContact O-N 3.34Å; M282-L286 VanDerWaalsContact O-N 3.12Å
287P88.2Confident81.1Confident55 Ų5584.4 Ų84.436%0.35749%0.486SS..  trans-64.4162166.527.2-32.2000111.4Y249 W253 D289Y249-P287 WeakPolarHBondContact OH-CD 3.46Å; W253-P287 HydrophobicContact CH2-CG 3.75Å; W253-P287 WeakPolarHBondContact CH2-O 3.43Å; W253-P287 HydrophobicContact CZ3-CG 4.12Å; P287-D289 WeakPolarHBondContact CB-O 3.46Å; P287-D289 WeakPolarHBondContact CG-O 3.48Å
288F81.6Confident78.5Confident195 Ų19585 Ų8586%0.85549%0.486SS*.SBendtrans-64.7-46179.6-178.1-94.6000112
289D81Confident76.1Confident110 Ų11090.8 Ų90.859%0.58851%0.506SS*.SBendtrans-106.3164173.7-62.8-60.1000111.1P287P287-D289 WeakPolarHBondContact CB-O 3.46Å; P287-D289 WeakPolarHBondContact CG-O 3.48Å
290A82.7Confident74.1Confident48 Ų4894.5 Ų94.540%0.39753%0.529SS..  trans-56.9143.1171.400000111.3W253 D292W253-A290 HydrophobicContact CB-CB 3.92Å; W253-A290 HydrophobicContact CD2-CB 3.69Å; W253-A290 HydrophobicContact CE3-CB 4.21Å; W253-A290 HydrophobicContact CG-CB 3.54Å; A290-D292 PolarHBondContact O-N 3.13Å
291P79.2Confident72Confident40 Ų4097.2 Ų97.226%0.2654%0.543SS..  trans-64.1127.4174.128-34.8000110.5Y249 S293 V300Y249-P291 HydrophobicContact CD1-CG 4.1Å; P291-S293 PolarHBondContact O-N 3.32Å; P291-S293 VanDerWaalsContact O-N 3.08Å; P291-V300 HydrophobicContact CB-CG1 3.76Å; P291-V300 HydrophobicContact CB-CG2 4.31Å; P291-V300 HydrophobicContact CG-CG1 4.27Å
292D65.6Low69.8Low101 Ų101103.5 Ų103.554%0.5456%0.56SS.*  trans-51.2113.9178-78.9-34.8000111.4A290 T294 Q295A290-D292 PolarHBondContact O-N 3.13Å; D292-T294 PolarHBondContact O-N 2.99Å; D292-T294 VanDerWaalsContact O-N 3.08Å; D292-Q295 HydrophobicContact CB-CB 4.29Å; D292-Q295 HydrophobicContact CB-CG 3.78Å; D292-Q295 PolarHBondContact O-N 3.32Å; D292-Q295 PolarHBondContact OD2-NE2 3.23Å
293S60Low67.8Low110 Ų110108.3 Ų108.377%0.76959%0.589SS**THydrogen-bonded Turntrans-66.9-7.9175.656.80000113.6P291P291-S293 PolarHBondContact O-N 3.32Å; P291-S293 VanDerWaalsContact O-N 3.08Å
294T54.2Low65.7Low124 Ų124112 Ų11276%0.76161%0.608SS**THydrogen-bonded Turntrans-83.7-9.8170.752.50000113.3D292 E296D292-T294 PolarHBondContact O-N 2.99Å; D292-T294 VanDerWaalsContact O-N 3.08Å; T294-E296 PolarHBondContact O-N 2.75Å
295Q51.1Low63.7Low89 Ų89110.2 Ų110.242%0.41660%0.602SS.*  trans-96.343.2177.4-62.5-171.644.200112.3D292 G297 Q298D292-Q295 HydrophobicContact CB-CB 4.29Å; D292-Q295 HydrophobicContact CB-CG 3.78Å; D292-Q295 PolarHBondContact O-N 3.32Å; D292-Q295 PolarHBondContact OD2-NE2 3.23Å; Q295-G297 PolarHBondContact O-N 3.15Å; Q295-Q298 HydrophobicContact CB-CB 4.34Å; Q295-Q298 PolarHBondContact O-N 2.83Å; Q295-Q298 VanDerWaalsContact O-N 3.1Å
296E45Very low61.6Low193 Ų193113 Ų11390%0.90262%0.616SS**THydrogen-bonded Turntrans-57.792.2174-70.8-168.413700111.4T294T294-E296 PolarHBondContact O-N 2.75Å
297G52.1Low59.4Low78 Ų78116.5 Ų116.580%0.80464%0.64SS**THydrogen-bonded Turntrans134.2-19.8178.700000115Q295Q295-G297 PolarHBondContact O-N 3.15Å
298Q45.6Very low57.6Low141 Ų141120 Ų12066%0.65966%0.661SS**SBendtrans-85.5120.4178.8-161.9151.9-8.900110.5Q295 V300Q295-Q298 HydrophobicContact CB-CB 4.34Å; Q295-Q298 PolarHBondContact O-N 2.83Å; Q295-Q298 VanDerWaalsContact O-N 3.1Å; Q298-V300 PolarHBondContact O-N 2.81Å
299K47.3Very low56Low168 Ų168114.4 Ų114.473%0.7364%0.643SS**  trans-59.6104.5-168.9-65.2175.6-177.71740111.6L301K299-L301 CarbonylContact O-C 3.56Å; K299-L301 PolarHBondContact O-N 3.4Å
300V56.1Low54.4Low79 Ų79115.4 Ų115.448%0.47966%0.655SS.*SBendtrans-63-29.9-175.1-171.30000112.6Y249 P291 Q298 K302Y249-V300 HydrophobicContact CD1-CB 4.5Å; Y249-V300 HydrophobicContact CD1-CG1 3.66Å; Y249-V300 HydrophobicContact CE1-CG1 3.48Å; Y249-V300 VanDerWaalsContact CE1-CG1 3.48Å; P291-V300 HydrophobicContact CB-CG1 3.76Å; P291-V300 HydrophobicContact CB-CG2 4.31Å; P291-V300 HydrophobicContact CG-CG1 4.27Å; Q298-V300 PolarHBondContact O-N 2.81Å; V300-K302 PolarHBondContact O-N 2.93Å
301L53.3Low52.7Low119 Ų119122.8 Ų122.862%0.62367%0.673SS**SBendtrans-70.796.5165.8-73.7169.8000110.2K299 V303K299-L301 CarbonylContact O-C 3.56Å; K299-L301 PolarHBondContact O-N 3.4Å; L301-V303 VanDerWaalsContact C-N 3.25Å; L301-V303 HydrophobicContact CB-CG2 4.45Å; L301-V303 PolarHBondContact O-N 3.04Å
302K51.6Low51.1Low191 Ų191127.4 Ų127.483%0.8369%0.694SS**  trans-61.191.1155.9-89.5-175.3175.6176.10108.8V300 E304V300-K302 PolarHBondContact O-N 2.93Å; K302-E304 VanDerWaalsContact C-N 3.27Å; K302-E304 PolarHBondContact O-N 3.13Å
303V55.6Low50.3Low112 Ų112125.4 Ų125.468%0.67969%0.688SS**  trans-72.489.1167.2-174.80000107.6L301 V305L301-V303 VanDerWaalsContact C-N 3.25Å; L301-V303 HydrophobicContact CB-CG2 4.45Å; L301-V303 PolarHBondContact O-N 3.04Å; V303-V305 HydrophobicContact CG1-CG2 3.82Å; V303-V305 PolarHBondContact O-N 3.1Å
304E51.2Low50Low172 Ų172132.8 Ų132.880%0.80470%0.699SS**  trans-66.188.7159.8-69.1-157.5161.800108K302 T306K302-E304 VanDerWaalsContact C-N 3.27Å; K302-E304 PolarHBondContact O-N 3.13Å; E304-T306 VanDerWaalsContact C-N 3.31Å; E304-T306 PolarHBondContact O-N 2.65Å
305V52.9Low49.9Very low103 Ų103131.9 Ų131.962%0.62469%0.693SS**  trans-61.299.8165.6-179.50000106.2V303 P307V303-V305 HydrophobicContact CG1-CG2 3.82Å; V303-V305 PolarHBondContact O-N 3.1Å; V305-P307 VanDerWaalsContact O-CD 3.31Å; V305-P307 WeakPolarHBondContact O-CD 3.41Å
306T49.9Very low50.2Low120 Ų120130.6 Ų130.674%0.73670%0.698SS**  trans-46.6112.4168.1-66.60000106.9E304 T308E304-T306 VanDerWaalsContact C-N 3.31Å; E304-T306 PolarHBondContact O-N 2.65Å; T306-T308 PolarHBondContact O-N 2.89Å
307P43.1Very low50.9Low98 Ų98127.2 Ų127.264%0.63669%0.685SS**  trans-64.4117.7-165.922.3-32.5000108.3V305 V309V305-P307 VanDerWaalsContact O-CD 3.31Å; V305-P307 WeakPolarHBondContact O-CD 3.41Å; P307-V309 HydrophobicContact CB-CG2 4.18Å; P307-V309 HydrophobicContact CG-CG2 4.31Å; P307-V309 WeakPolarHBondContact O-CG2 3.23Å; P307-V309 PolarHBondContact O-N 3.1Å
308T50.7Low51.7Low129 Ų129127.5 Ų127.579%0.79167%0.671SS**  trans-71.468172.439.10000108.7T306 P310T306-T308 PolarHBondContact O-N 2.89Å; T308-P310 VanDerWaalsContact O-CD 3.23Å; T308-P310 WeakPolarHBondContact O-CD 3.48Å; T308-P310 VanDerWaalsContact O-N 3.08Å
309V47.2Very low52.7Low77 Ų77125.9 Ų125.947%0.46767%0.671SS.*  trans-56.3116.5-172.8-170.90000108.4P307 R311P307-V309 HydrophobicContact CB-CG2 4.18Å; P307-V309 HydrophobicContact CG-CG2 4.31Å; P307-V309 WeakPolarHBondContact O-CG2 3.23Å; P307-V309 PolarHBondContact O-N 3.1Å; V309-R311 HydrophobicContact CG1-CB 3.85Å; V309-R311 HydrophobicContact CG1-CG 3.7Å; V309-R311 PolarHBondContact O-N 3.29Å
310P48.5Very low53.6Low131 Ų131120.7 Ų120.785%0.85166%0.659SS**  trans-7865.518032.2-34.5000109.5T308T308-P310 VanDerWaalsContact O-CD 3.23Å; T308-P310 WeakPolarHBondContact O-CD 3.48Å; T308-P310 VanDerWaalsContact O-N 3.08Å
311R45.7Very low54.2Low204 Ų204118.8 Ų118.877%0.7765%0.65SS**  trans-138.848.7-178.1-67.8-178.4-168.1145.71111.2V309 S313V309-R311 HydrophobicContact CG1-CB 3.85Å; V309-R311 HydrophobicContact CG1-CG 3.7Å; V309-R311 PolarHBondContact O-N 3.29Å; R311-S313 PolarHBondContact O-N 3.22Å
312I46.1Very low54.6Low137 Ų137118 Ų11870%0.70365%0.645SS**  trans-61.899.7136.4-61.4177.3000104.5M145 A316M145-I312 HydrophobicContact CE-CD1 4.46Å; I312-A316 HydrophobicContact CG2-CB 4.33Å
313S49.4Very low55.2Low59 Ų59117.6 Ų117.641%0.41364%0.638SS.*  trans-62.2150.5177.366.90000108.9R311 T315 A316R311-S313 PolarHBondContact O-N 3.22Å; S313-T315 WeakPolarHBondContact CB-OG1 3.39Å; S313-T315 PolarHBondContact O-N 2.93Å; S313-T315 PolarHBondContact OG-OG1 3.22Å; S313-A316 PolarHBondContact O-N 3.19Å
314R53.3Low55.5Low265 Ų265122.2 Ų122.2100%164%0.643SS**THydrogen-bonded Turntrans-67.317.2174.6-122.6171.2176.1146.6-3.7113.5
315T52.3Low55.9Low105 Ų105120.1 Ų120.164%0.64463%0.633SS**THydrogen-bonded Turntrans-136.317.8-172.754.40000112.2S313 I317S313-T315 WeakPolarHBondContact CB-OG1 3.39Å; S313-T315 PolarHBondContact O-N 2.93Å; S313-T315 PolarHBondContact OG-OG1 3.22Å; T315-I317 WeakPolarHBondContact O-CG1 3.45Å; T315-I317 PolarHBondContact O-N 2.74Å
316A57.5Low56.1Low62 Ų62124.4 Ų124.451%0.51264%0.638SS.*  trans-66.590.2175.400000111.4I312 S313 T318I312-A316 HydrophobicContact CG2-CB 4.33Å; S313-A316 PolarHBondContact O-N 3.19Å; A316-T318 PolarHBondContact O-N 3.32Å
317I59Low56.2Low122 Ų122129.1 Ų129.163%0.62664%0.643SS**  trans-71.296.4-179.2-58.9178.1000109.6T315 I322T315-I317 WeakPolarHBondContact O-CG1 3.45Å; T315-I317 PolarHBondContact O-N 2.74Å; I317-I322 HydrophobicContact CG2-CD1 4.07Å; I317-I322 HydrophobicContact CG2-CG1 3.41Å; I317-I322 VanDerWaalsContact CG2-CG1 3.41Å
318T69.3Low56.7Low83 Ų83135 Ų13551%0.50965%0.652SS.*  trans-71.6159.9169.363.50000111.2A316 A320 S321 I322A316-T318 PolarHBondContact O-N 3.32Å; T318-A320 PolarHBondContact O-N 2.74Å; T318-A320 VanDerWaalsContact O-N 3.1Å; T318-S321 WeakPolarHBondContact O-CA 3.26Å; T318-S321 VanDerWaalsContact O-CB 3.26Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.08Å; T318-S321 PolarHBondContact OG1-N 2.66Å; T318-I322 PolarHBondContact O-N 2.99Å; T318-I322 VanDerWaalsContact O-N 3.15Å
319T67Low56.7Low107 Ų107139.5 Ų139.566%0.65666%0.655SS**Hα-helixtrans-57.9-26.2174.3-230000112.6R323T319-R323 WeakPolarHBondContact O-CG 3.48Å; T319-R323 PolarHBondContact O-N 3.12Å
320A65.8Low56.7Low60 Ų60143.3 Ų143.350%0.49667%0.668SS.*Hα-helixtrans-72.5-35.6171.700000113T318 R323 R324T318-A320 PolarHBondContact O-N 2.74Å; T318-A320 VanDerWaalsContact O-N 3.1Å; A320-R323 PolarHBondContact O-N 3.05Å; A320-R324 PolarHBondContact O-N 3.3Å
321S68.5Low56.4Low39 Ų39141 Ų14127%0.27367%0.667SS.*Hα-helixtrans-62.5-46.3172.4-178.10000111.4T318 R323 R324 H325T318-S321 WeakPolarHBondContact O-CA 3.26Å; T318-S321 VanDerWaalsContact O-CB 3.26Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.08Å; T318-S321 PolarHBondContact OG1-N 2.66Å; S321-R323 VanDerWaalsContact C-N 3.33Å; S321-R323 PolarHBondContact O-N 2.9Å; S321-R324 PolarHBondContact O-N 2.93Å; S321-H325 PolarHBondContact O-N 3.21Å
322I61.2Low56Low101 Ų101136.2 Ų136.252%0.51867%0.672SS.*Hα-helixtrans-57.8-46.5175.4-55.7179.3000110.7I317 T318 R324 H325 R326I317-I322 HydrophobicContact CG2-CD1 4.07Å; I317-I322 HydrophobicContact CG2-CG1 3.41Å; I317-I322 VanDerWaalsContact CG2-CG1 3.41Å; T318-I322 PolarHBondContact O-N 2.99Å; T318-I322 VanDerWaalsContact O-N 3.15Å; I322-R324 PolarHBondContact O-N 3.17Å; I322-H325 PolarHBondContact O-N 2.81Å; I322-R326 PolarHBondContact O-N 3.02Å
323R64.9Low55.7Low184 Ų184139.5 Ų139.569%0.69468%0.684SS**Hα-helixtrans-59.6-45.8176.3-76.6178.2176169.2-0.6112T319 A320 S321 H325 R326 W327T319-R323 WeakPolarHBondContact O-CG 3.48Å; T319-R323 PolarHBondContact O-N 3.12Å; A320-R323 PolarHBondContact O-N 3.05Å; S321-R323 VanDerWaalsContact C-N 3.33Å; S321-R323 PolarHBondContact O-N 2.9Å; R323-H325 PolarHBondContact O-N 2.78Å; R323-R326 PolarHBondContact O-N 2.99Å; R323-W327 VanDerWaalsContact O-CD1 3.25Å
324R61.4Low55.4Low208 Ų208140 Ų14079%0.78570%0.698SS**Hα-helixtrans-65.3-35.3177.8-76.3-174.2177.1179.3-0113.4A320 S321 I322A320-R324 PolarHBondContact O-N 3.3Å; S321-R324 PolarHBondContact O-N 2.93Å; I322-R324 PolarHBondContact O-N 3.17Å
325H59.3Low55Low129 Ų129134.5 Ų134.560%0.59769%0.694SS**Hα-helixtrans-72.3-25178.4-101.3-74.6000114.3S321 I322 R323 R328S321-H325 PolarHBondContact O-N 3.21Å; I322-H325 PolarHBondContact O-N 2.81Å; R323-H325 PolarHBondContact O-N 2.78Å; H325-R328 PolarHBondContact O-N 3.23Å
326R57.5Low54.2Low192 Ų192137 Ų13773%0.72570%0.703SS**Hα-helixtrans-69.1-33.4-178.8-154.9171.3-168.7-100.52.8112.8I322 R323 R328I322-R326 PolarHBondContact O-N 3.02Å; R323-R326 PolarHBondContact O-N 2.99Å; R326-R328 VanDerWaalsContact C-N 3.25Å; R326-R328 PolarHBondContact O-N 3.19Å
327W52.5Low53.1Low220 Ų220138 Ų13883%0.83372%0.72SS**THydrogen-bonded Turntrans-79.75.5176.9-63.298.6000114.8R323R323-W327 VanDerWaalsContact O-CD1 3.25Å
328R53.7Low52Low222 Ų222136 Ų13684%0.83873%0.729SS**THydrogen-bonded Turntrans-107.811.1-178.2-90.9-78.9-162.2-179.82.9113.5H325 R326H325-R328 PolarHBondContact O-N 3.23Å; R326-R328 VanDerWaalsContact C-N 3.25Å; R326-R328 PolarHBondContact O-N 3.19Å
329R50.2Low50.4Low222 Ų222141.4 Ų141.484%0.83875%0.748SS**SBendtrans-138.918.1-173.4-145.8-166.6-62.7-152.4-0.3115.7
330E46.8Very low49Very low158 Ų158145 Ų14574%0.73876%0.757SS**SBendtrans-121.2110.3170.5-71.3170.2-176.400106.4
331G42.4Very low47.7Very low82 Ų82147.2 Ų147.285%0.84577%0.769SS**SBendtrans129.342.2-175.600000116.7
332A37.8Very low46.3Very low104 Ų104151 Ų15186%0.8679%0.79SS**  trans-154.739.9172.800000113.5
333E39.7Very low45.1Very low205 Ų205152.4 Ų152.496%0.95880%0.799SS**  trans-104.3106168.4-68.7-172167.600108.8
334G43.5Very low43.9Very low69 Ų69150.2 Ų150.271%0.71180%0.8SS**  trans178.196.9-175.300000116
335V44.9Very low42.9Very low150 Ų150146.9 Ų146.991%0.90980%0.798SS**  trans70.1133.7152-172.10000119
336N36.4Very low42Very low158 Ų158147.7 Ų147.785%0.84581%0.807SS**  trans-55.8147.6175.6-65.8-30.3000115.6
337G33.5Very low41.5Very low84 Ų84143.2 Ų143.287%0.86681%0.811SS**  89.2126120.800000118.1
338G36.1Very low40.7Very low78 Ų78139.9 Ų139.980%0.80481%0.809SS**  trans144.8124.4174.700000110.9
339E34.6Very low40.4Very low198 Ų198137.9 Ų137.993%0.92581%0.81SS**  trans-99.6-166.4173-61.7-177.4130.100109.6
340E37.7Very low39.9Very low181 Ų181130.2 Ų130.285%0.84680%0.8SS**  trans7566.7171.1-52.6-165162.100119.2
341S40.1Very low39.3Very low107 Ų107132.6 Ų132.675%0.74881%0.808SS**  57.2157.7109.1670000124.3
342V37.5Very low38.9Very low118 Ų118134.5 Ų134.572%0.71581%0.809SS**  trans98.2108.1153.8-168.50000120.2
343N37Very low38.9Very low132 Ų132135.7 Ų135.771%0.70681%0.811SS**  trans77.8113.2141.7-72.2-3.1000126
344L40Very low38.7Very low137 Ų137129.7 Ų129.772%0.71780%0.804SS**  88.2143.4111.7-71.5174.3000123.1
345N39.1Very low38.3Very low139 Ų139130.9 Ų130.974%0.74381%0.807SS**  trans67.2159.2157.3-70.320.7000119.5
346D41.3Very low37.9Very low146 Ų146128.8 Ų128.878%0.78180%0.799SS**  cis-174.8138.6-44.6-150.1-20.3000105.7
347A46.3Very low38Very low97 Ų97129.5 Ų129.580%0.80280%0.802SS**  trans169.297.516400000110.7
348D37.1Very low38.1Very low150 Ų150130.7 Ų130.780%0.80280%0.797SS**  trans-71.9162.8147-171.717.1000109.5
349E46.6Very low38.5Very low180 Ų180132.7 Ų132.784%0.84180%0.799SS**  trans166.9145.3150.1-98.5-62.9175.800113.6
350G40.5Very low38.8Very low62 Ų62132.2 Ų132.264%0.63980%0.796SS**  trans83.794.6141.400000120.7
351F32.6Very low39Very low208 Ų208129.6 Ų129.691%0.91280%0.795SS**  trans-70.8140.4151.6-77.2-110.4000110.9
352S35.8Very low39.1Very low122 Ų122132.5 Ų132.585%0.85380%0.801SS**  173.6158.3122.4-82.20000115.7
353S36.4Very low39.2Very low129 Ų129129.9 Ų129.990%0.90280%0.797SS**  trans-59.4141.9177-460000114.9
354G35.8Very low39.5Very low79 Ų79129.8 Ų129.881%0.81480%0.802SS**  trans-162.1137.1170.700000112.3
355A34.5Very low39.6Very low93 Ų93132.9 Ų132.977%0.76981%0.809SS**  trans-92149.3-167.100000115.1
356S36.8Very low40Very low107 Ų107132.2 Ų132.275%0.74881%0.813SS**  trans46.4133140.9-54.20000121.6
357L38.3Very low40Very low173 Ų173130.7 Ų130.791%0.90681%0.813SS**  178.4162.4100.3-96.9172.5000115.5
358S37.2Very low39.9Very low109 Ų109131.2 Ų131.276%0.76281%0.811SS**  trans81.2105.4150.6-156.60000121
359S43.5Very low40.2Very low120 Ų120128.7 Ų128.784%0.83981%0.805SS**  trans-138.2157.2130.657.90000109.4
360Q41.9Very low40.1Very low187 Ų187124.9 Ų124.987%0.87480%0.798SS**  trans-81158-153.9-60.8176.5-11.900116.1
361P40.3Very low40.5Very low126 Ų126128.8 Ų128.882%0.81880%0.8SS**  trans-124.2174136.637.8-29.9000113.7
362I43.7Very low40.8Very low169 Ų169129.3 Ų129.387%0.86780%0.796SS**  trans-82.7157.6-169.6-66.9164.4000112.5
363G38.4Very low40.9Very low63 Ų63127.2 Ų127.265%0.64979%0.794SS**  trans-68.6-174.7-179.100000116
364T42.8Very low41.2Very low130 Ų130126 Ų12680%0.79879%0.786SS**  cis-155.5148.233.950.60000117.2
365K43.6Very low41.6Very low202 Ų202128.7 Ų128.788%0.87878%0.78SS**  trans76.8148.8153.6-73178.4178.8-179.30120.3
366P45.9Very low41.9Very low125 Ų125134.9 Ų134.981%0.81278%0.784SS**  trans-135.1173.4-164.143.1-25.3000117
367S42.1Very low42.1Very low113 Ų113138.6 Ų138.679%0.7979%0.786SS**  trans-158145.4149.651.20000114.6
368S43.9Very low42.1Very low108 Ų108136.2 Ų136.276%0.75578%0.779SS**  trans-8.6154159.450.10000122.2
369S43.7Very low42.4Very low98 Ų98135.2 Ų135.269%0.68578%0.777SS**  cis176.3154.9-10.555.30000113.1
370S45Very low42.3Very low99 Ų99135.8 Ų135.869%0.69278%0.776SS**  trans65.7158.9151.2-660000119.6
371Q47.6Very low42.4Very low145 Ų145130.4 Ų130.468%0.67877%0.771SS**  cis-172.4164.6-19.4-99.7-173.394.700107
372R40.6Very low42.5Very low218 Ų218136.5 Ų136.582%0.82378%0.777SS**  cis177.3115.3-16167.7-179169.3-167.1-2.6112.2
373G37.7Very low42.2Very low78 Ų78134.4 Ų134.480%0.80478%0.778SS**  trans84.6-177162.100000117.8
374S43Very low42.4Very low105 Ų105136.5 Ų136.573%0.73479%0.789SS**  cis-169.1132.6-11.2-161.40000114.9
375L43.6Very low42.1Very low134 Ų134138.7 Ų138.770%0.70279%0.787SS**  trans65.1136.9144.6-75173.7000125.8
376R41.1Very low42.2Very low223 Ų223134.2 Ų134.284%0.84277%0.773SS**  trans74.1161.4146.5-68.2166.1-172.7-165.63.8119.8
377K39.5Very low42Very low185 Ų185135 Ų13580%0.80476%0.763SS**  cis-178.6157.9-32.5-167-173.2177.3-176.30108.1
378V39.1Very low41.8Very low123 Ų123136.4 Ų136.475%0.74576%0.758SS**  trans77.4151171.3-161.40000111.2
379A43Very low41.5Very low88 Ų88138 Ų13873%0.72776%0.763SS**  cis-125.7-136.923.400000118.5
380T42.4Very low41.1Very low133 Ų133137.4 Ų137.482%0.81676%0.764SS**  trans-156.5150.2-134.350.90000117.8
381G43.3Very low40.6Very low74 Ų74138.4 Ų138.476%0.76377%0.771SS**  trans112.9159.3161.600000114.9
382R42.7Very low40.3Very low253 Ų253136 Ų13696%0.95578%0.776SS**  cis-159.3157.8-4.5-121.7-179.5-178.8-174.3-0.2110.1
383S37.1Very low40.5Very low126 Ų126133.2 Ų133.288%0.88178%0.776SS**  trans-103.3161.9-176.6-41.60000114.2
384A43.4Very low40.4Very low107 Ų107138.9 Ų138.988%0.88478%0.778SS**  trans-152.9159.5155.800000110.8
385K35.6Very low40.2Very low175 Ų175138.8 Ų138.876%0.76178%0.778SS**  trans-159.9170.1-168.4-167.5-175.8158.9-100.50110.9
386D46Very low40Very low109 Ų109137.2 Ų137.258%0.58378%0.778SS**  trans77.7154.1157.8-68-54.1000118.7
387K41.3Very low40Very low140 Ų140135.6 Ų135.661%0.60978%0.78SS**  cis-174.9153.3-24.4174.7162.1170.6-86.90110
388E37.7Very low39.7Very low144 Ų144131.8 Ų131.867%0.67378%0.776SS**  trans63.1172.8166.1-84.8156.6174.200115.7
389T37.9Very low39.9Very low140 Ų140131 Ų13186%0.85977%0.774SS**  cis-138.7-1694.3-21.30000110.6
390A34.6Very low39.7Very low86 Ų86137.2 Ų137.271%0.71178%0.778SS**  trans-124.6179.7-169.500000115.3
391S36.2Very low39.5Very low120 Ų120137.5 Ų137.584%0.83978%0.775SS**  trans102.4166.7150.683.40000120.4
392A39.7Very low39.3Very low94 Ų94138.8 Ų138.878%0.77777%0.772SS**  trans74.2145.8-172.900000115.1
393I45.5Very low39.1Very low161 Ų161133.3 Ų133.383%0.82677%0.766SS**  cis-130.1156.910.1-68.5171.8000111.1
394K35.8Very low39.1Very low197 Ų197134.2 Ų134.286%0.85777%0.767SS**  trans-111.7152.5169.3-55.3171.8179175.90111
395S39.8Very low38.4Very low103 Ų103139.6 Ų139.672%0.7276%0.764SS**  trans-175.9136.614352.40000114.7
396S39.1Very low38.4Very low101 Ų101140 Ų14071%0.70677%0.765SS**  trans54.3145.2142.657.60000121.4
397E39.5Very low37.6Very low189 Ų189142.1 Ų142.188%0.88377%0.772SS**  cis-156-175.3-0-126.7172.416600112.5
398S34.3Very low37.2Very low104 Ų104145.3 Ų145.373%0.72778%0.782SS**  trans-158.4-170.2-172.168.90000110.7
399P43.8Very low37Very low106 Ų106143.3 Ų143.369%0.68878%0.779SS**  cis-125.2-167-48.534.1-16.3000110.9
400R38.9Very low36.7Very low220 Ų220145.1 Ų145.183%0.8378%0.778SS**  170.7131.5128.9-93.3171.8-178.1167.93.4114.3
401D37.3Very low36.6Very low139 Ų139149.7 Ų149.774%0.74379%0.785SS**  trans51.7142.3130.3-56.4-25.2000122.4
402S38.7Very low36.7Very low101 Ų101150.2 Ų150.271%0.70679%0.785SS**  cis-169.4153.6-3.445.40000113.5
403V38.1Very low36.5Very low137 Ų137151.9 Ų151.983%0.8379%0.786SS**  trans58.5124.9149.6176.70000117.9
404V38.3Very low35.7Very low146 Ų146151.9 Ų151.989%0.88579%0.787SS**  -151.816278.8168.70000111.8
405R28.5Very low35.8Very low220 Ų220150.8 Ų150.883%0.8379%0.79SS**  trans-113.6133.5-165.9168.8-170.9-174.6166.11.8114.7
406K35.4Very low35.5Very low182 Ų182151 Ų15179%0.79179%0.791SS**  trans-175.5113.2149.4-102.6161.9-176.6-179.10109.4
407Q28.7Very low35.1Very low154 Ų154152.7 Ų152.772%0.7280%0.797SS**  60.298.990.8-77-177.6-60.500115.7
408Y33.1Very low34.9Very low208 Ų208150.8 Ų150.882%0.81679%0.793SS**  -175130.3104.1-116.8-100.2000114
409V33.5Very low34.9Very low102 Ų102151.3 Ų151.362%0.61880%0.797SS**  trans46.3104.2146.9178.40000121.6
410Q32.7Very low34.7Very low178 Ų178151.4 Ų151.483%0.83280%0.795SS**  trans46.7121.5130.5-62.9166.1-69.800122.1
411Q30.8Very low34.4Very low182 Ų182148.9 Ų148.985%0.8579%0.793SS**PPolyproline II helixtrans-82.2158.5150.1-64.3166.1-86.800110.5
412P39.6Very low34.4Very low131 Ų131149.5 Ų149.585%0.85180%0.795SS**PPolyproline II helixtrans-71.9134.3163.2-7.725000110.5
413T35.8Very low34.2Very low128 Ų128149.6 Ų149.679%0.78579%0.792SS**PPolyproline II helixtrans-86.1152173.1430000112.1
414D29.1Very low34.1Very low162 Ų162149 Ų14987%0.86679%0.791SS**PPolyproline II helixtrans-55.7136.3171.9-55.9-83.4000112.1
415L37.3Very low34Very low173 Ų173149.3 Ų149.391%0.90678%0.784SS**  trans-91.3109.6170.8-78.4170.7000109.7
416S33Very low34.3Very low107 Ų107148.7 Ų148.775%0.74879%0.788SS**  trans-60.1151.3168.9-174.80000111D418S416-D418 PolarHBondContact O-N 2.87Å
417V31.9Very low34.3Very low138 Ų138148.3 Ų148.384%0.83679%0.786SS**  trans-64.4127168.3179.60000108.4
418D34.4Very low34.5Very low148 Ų148149.6 Ų149.679%0.79179%0.792SS**  trans-132.2154174.1-135.2-31.2000111.6S416S416-D418 PolarHBondContact O-N 2.87Å
419S33.9Very low34.6Very low115 Ų115147.7 Ų147.780%0.80480%0.795SS**  trans-83.8143.4-155.7-64.50000114.6E421S419-E421 PolarHBondContact O-N 3.24Å
420V40.7Very low34.5Very low108 Ų108147.6 Ų147.666%0.65580%0.798SS**  trans-84.8101.3177.4-179.60000110.6L422V420-L422 HydrophobicContact CG1-CG 4.25Å
421E31.7Very low34.6Very low168 Ų168146.6 Ų146.679%0.78580%0.798SS**  trans-83.6131.4168.4-167.1176.7-156.900111S419 T423S419-E421 PolarHBondContact O-N 3.24Å; E421-T423 HydrophobicContact CG-CG2 4.31Å
422L37.6Very low35Very low152 Ų152143.8 Ų143.880%0.79680%0.796SS**  trans-116.4100-179.2-76.6167.7000110.9V420V420-L422 HydrophobicContact CG1-CG 4.25Å
423T34Very low34.6Very low102 Ų102142.9 Ų142.963%0.62680%0.799SS**  trans-104.4118.2178.6480000112.3E421 M425E421-T423 HydrophobicContact CG-CG2 4.31Å; T423-M425 PolarHBondContact O-N 3.1Å; T423-M425 VanDerWaalsContact O-N 3.12Å
424P36.2Very low34.5Very low126 Ų126140.2 Ų140.282%0.81880%0.797SS**  trans-83.888.6-177.632.1-34.4000112.1K426P424-K426 PolarHBondContact O-N 2.87Å
425M36.6Very low34.9Very low152 Ų152141.6 Ų141.675%0.74980%0.798SS**  trans-70.793.6176.8-67.1-155.589.200113.2T423 K427T423-M425 PolarHBondContact O-N 3.1Å; T423-M425 VanDerWaalsContact O-N 3.12Å; M425-K427 PolarHBondContact O-N 3.15Å
426K33.6Very low34.8Very low206 Ų206139.7 Ų139.790%0.89679%0.794SS**  trans-68.9115157.8-81.7-176.2174.4-179.90109.9P424P424-K426 PolarHBondContact O-N 2.87Å
427K37Very low34.9Very low175 Ų175141.1 Ų141.176%0.76180%0.797SS**  trans-108.3116.2160.4-73.3-173.1177.9179.10109.4M425M425-K427 PolarHBondContact O-N 3.15Å
428H33.1Very low34.9Very low181 Ų181139.7 Ų139.784%0.83879%0.791SS**  trans-95.397.6-176.3-164.3-83.8000108.7
429L34.3Very low34.9Very low168 Ų168142 Ų14288%0.8879%0.794SS**  trans-92.3107.6-179.9-160.773.5000110.3
430S31.4Very low35.1Very low99 Ų99142 Ų14269%0.69279%0.789SS**  trans-88.4128.7178.451.50000111.8
431L35.5Very low34.7Very low157 Ų157144.4 Ų144.482%0.82280%0.798SS**  trans-119.7139.6161.6-80.4163000108.8
432P39.4Very low34.9Very low124 Ų124142.3 Ų142.381%0.80580%0.802SS**  trans-78.2150.8-171.431.7-35.5000112.6
433A31.2Very low34.8Very low111 Ų111143.2 Ų143.292%0.91781%0.807SS**  trans-85.7147179.600000112.8
434G33.2Very low34.8Very low72 Ų72143.7 Ų143.774%0.74282%0.815SS**  trans-150.2123.3173.200000112.7
435Q36.2Very low34.8Very low192 Ų192145.3 Ų145.390%0.89782%0.815SS**  trans57.982160.6-65.4-178.7-24.800119.6
436V34.9Very low34.8Very low133 Ų133145.3 Ų145.381%0.80682%0.817SS**  38115.1114.5-175.50000118.8
437V35.3Very low35.1Very low137 Ų137146.6 Ų146.683%0.8382%0.816SS**  -165.4134.3113146.80000108.5
438P32.1Very low35Very low107 Ų107144.6 Ų144.670%0.69582%0.819SS**  trans-102.5145.1-174.636.6-33000114.7
439K35.6Very low35.2Very low197 Ų197140.5 Ų140.586%0.85782%0.816SS**  trans-163.8125148.8-112.7158-172.7175.70115.1
440T36.9Very low35.3Very low115 Ų115138 Ų13871%0.70681%0.813SS**  trans54.4111.1146.9530000122.1
441N33.5Very low35.5Very low159 Ų159138.4 Ų138.485%0.8582%0.822SS**  trans62.292.5130.3-59.22.6000120.7
442S35.2Very low35.4Very low123 Ų123136.3 Ų136.386%0.8682%0.82SS**  trans-143.8124.6131.461.20000110.5
443L36.7Very low35.2Very low172 Ų172135.8 Ų135.890%0.90182%0.819SS**  trans-95.4121.7173.8-86.9169.9000109.3L445L443-L445 PolarHBondContact O-N 3.21Å; L443-L445 VanDerWaalsContact O-N 3.13Å
444S32.6Very low35.4Very low112 Ų112136 Ų13678%0.78381%0.814SS**  trans-72.898.8178.945.10000111.8I446S444-I446 PolarHBondContact O-N 3.4Å
445L37.3Very low35.5Very low159 Ų159141.9 Ų141.983%0.83282%0.82SS**  trans-85.196.5171.5-78.9174.4000111.3L443 R447L443-L445 PolarHBondContact O-N 3.21Å; L443-L445 VanDerWaalsContact O-N 3.13Å; L445-R447 PolarHBondContact O-N 3.33Å; L445-R447 VanDerWaalsContact O-N 3.13Å
446I36.9Very low35.3Very low153 Ų153138.4 Ų138.479%0.78582%0.816SS**  trans-66.8106.8167.6-59.3173.9000108.5S444S444-I446 PolarHBondContact O-N 3.4Å
447R38.1Very low35.6Very low233 Ų233141.1 Ų141.188%0.87982%0.817SS**  trans-92.6104167.7-80.6-174.9175.4166.1-0.3110.1L445 A449L445-R447 PolarHBondContact O-N 3.33Å; L445-R447 VanDerWaalsContact O-N 3.13Å; R447-A449 PolarHBondContact O-N 3.49Å
448T35.8Very low35.7Very low133 Ų133141.7 Ų141.782%0.81682%0.816SS**  trans-74.9109.5157.437.30000108.8
449A37.1Very low36Very low95 Ų95146.8 Ų146.879%0.78582%0.823SS**  trans-84.6132.1174.300000110.4R447R447-A449 PolarHBondContact O-N 3.49Å
450S36.6Very low36.2Very low116 Ų116144.2 Ų144.281%0.81182%0.823SS**  trans-69.7129.2174.7-55.50000110.9S452S450-S452 PolarHBondContact O-N 2.93Å
451A34.7Very low36.4Very low106 Ų106145.2 Ų145.288%0.87682%0.824SS**  trans-77.1102.5174.400000111
452S34Very low36.4Very low113 Ų113140.8 Ų140.879%0.7982%0.816SS**  trans-83113.3164.7-69.90000109.6S450 S454S450-S452 PolarHBondContact O-N 2.93Å; S452-S454 PolarHBondContact O-N 3.41Å
453S36.1Very low36.6Very low113 Ų113139.7 Ų139.779%0.7981%0.808SS**  trans-79.7110.8173.1-1770000110.5
454S34.9Very low36.7Very low115 Ų115140.7 Ų140.780%0.80481%0.809SS**  trans-83.5118.9170.6-69.80000109.8S452S452-S454 PolarHBondContact O-N 3.41Å
455K35.7Very low36.8Very low197 Ų197140 Ų14086%0.85781%0.809SS**  trans-73.1130.9-179.7-63.1-176.2178.3-174.70111.3
456S32.6Very low36.7Very low118 Ų118138.3 Ų138.383%0.82581%0.811SS**  trans-153.888.2164.9-177.80000108.7
457F40.6Very low36.7Very low190 Ų190137.1 Ų137.183%0.83381%0.811SS**  trans-159.9135.8166-142.8-87.8000109.1
458D37.3Very low36.6Very low149 Ų149130.5 Ų130.580%0.79780%0.801SS**  trans-77.9142.5-175-69.8-68.5000112.7
459Y37.3Very low36.5Very low215 Ų215132.5 Ų132.584%0.84380%0.804SS**  trans-105.789.6-172.7-142.6-83.5000110.5N461Y459-N461 PolarHBondContact O-N 3.39Å
460V41.4Very low36.4Very low142 Ų142131.5 Ų131.586%0.86180%0.804SS**  trans-82.883.2-178.9-166.40000110.5
461N41Very low36.3Very low137 Ų137133.2 Ų133.273%0.73381%0.809SS**  trans-89.3109.3171.6-172.528.8000110.7Y459Y459-N461 PolarHBondContact O-N 3.39Å
462G32.7Very low36.4Very low65 Ų65131.7 Ų131.767%0.6780%0.804SS**  trans-82.1115.9-177.600000113.2
463S39.1Very low36.5Very low101 Ų101131.8 Ų131.871%0.70680%0.8SS**  trans-158.6120.6162.5-86.40000114.1
464Q39Very low36.2Very low193 Ų193135.5 Ų135.590%0.90280%0.804SS**  trans62.6133.8155-55.2-166.810.700120
465A34.1Very low36.3Very low97 Ų97134 Ų13480%0.80281%0.807SS**  trans-83.2153.3-178.100000113.2
466S35.9Very low36Very low124 Ų124127.9 Ų127.987%0.86780%0.8SS**  -168.9159.5121.231.70000113
467T36.3Very low36Very low128 Ų128128.4 Ų128.479%0.78580%0.798SS**  trans-66.6149.3-164.443.20000118.5
468S35.6Very low35.6Very low94 Ų94125.6 Ų125.666%0.65779%0.792SS**  trans78.9114.8131.265.40000123.5
469I35Very low35.3Very low174 Ų174126.2 Ų126.289%0.89280%0.795SS**  64.1115.9126.5-55.4167.7000118.7
470G34.9Very low35.1Very low75 Ų75120.3 Ų120.377%0.77379%0.79SS**  trans-172.1122.2159.700000111.8
471V34.6Very low34.8Very low151 Ų151117.6 Ų117.692%0.91578%0.782SS**  trans-104.8133.7176.1175.50000108.8
472G35.4Very low34.4Very low75 Ų75117.9 Ų117.977%0.77378%0.784SS**  trans-156.4123.7-179.500000112.7
473T36.2Very low34.6Very low115 Ų115122.1 Ų122.171%0.70679%0.791SS**  trans-90.6146-167.8-48.70000113.1
474E31.5Very low34.2Very low190 Ų190121.9 Ų121.989%0.88880%0.795SS**  trans38.1123.2156.9-68167.3-155.100121.5
475G35.3Very low34.1Very low84 Ų84120.6 Ų120.687%0.86679%0.794SS**  trans-158.3118.615800000109.4
476G30.6Very low34.2Very low68 Ų68127.1 Ų127.170%0.70180%0.799SS**  trans-112.3-170.6-16600000116.4
477T32.2Very low34.1Very low130 Ų130132.2 Ų132.280%0.79880%0.8SS**  trans95.4126.4165.375.30000119.6
478N32.1Very low34Very low130 Ų130131.6 Ų131.670%0.69580%0.801SS**  trans86.7110.3142-61.6-18.1000122.8
479L31.8Very low33.9Very low163 Ų163133.7 Ų133.785%0.85381%0.81SS**  63.4130.1125.8-58.8169.2000118.2
480A32.8Very low34.1Very low91 Ų91132 Ų13275%0.75281%0.807SS**  cis-165.3-179.421.700000114
481A34.2Very low34.2Very low84 Ų84133.5 Ų133.569%0.69481%0.807SS**  trans77.8103.2150.800000121.4
482N33.8Very low34.2Very low144 Ų144134.5 Ų134.577%0.7781%0.806SS**  45.7114.5126.3-54.5-1.2000118.7
483N35.3Very low34.4Very low154 Ų154140.1 Ų140.182%0.82481%0.812SS**  -163.3137.665.5-91-47.2000112.5
484A32.2Very low34.5Very low95 Ų95142.4 Ų142.479%0.78582%0.815SS**  trans-95.7137.5160.600000109.7
485N35.6Very low34.8Very low166 Ų166140.8 Ų140.889%0.88881%0.812SS**  trans-136.8140.3163.9-111.9-39.7000110
486R37Very low34.7Very low235 Ų235146.8 Ų146.889%0.88781%0.808SS**  trans-93.2158.3-162.9-68.1175.3174.1156.2-2.6112.5
487Y33.7Very low34.9Very low230 Ų230151.9 Ų151.990%0.90282%0.819SS**  trans-55.6142164.3-58.4-89.9000111.3
488S34.6Very low35Very low115 Ų115149.7 Ų149.780%0.80482%0.822SS**  trans-117.4101.3159.9-78.40000109.2
489T33.4Very low34.9Very low139 Ų139153 Ų15385%0.85383%0.833SS**  trans-75.8140.9154.545.40000108.3
490V39.4Very low34.9Very low137 Ų137150.5 Ų150.583%0.8384%0.836SS**  trans-123.3131.1172.2179.90000108.1
491S37.3Very low35.2Very low108 Ų108150 Ų15076%0.75584%0.84SS**  trans-73.3156.1-166.8-51.90000113.9
492L34.5Very low35.2Very low172 Ų172156 Ų15690%0.90185%0.853SS**  trans-62.9140.4155.5-65.6166.6000109.7
493Q38.7Very low35.3Very low192 Ų192152.7 Ų152.790%0.89785%0.853SS**  trans-127.4116.7154.4-74.7-171.6-101.500107.7
494E39.1Very low35.3Very low164 Ų164153 Ų15377%0.76685%0.848SS**  trans-74.6142.8160-61-176.7130.700108.5
495D37.5Very low35.4Very low156 Ų156155.1 Ų155.183%0.83484%0.841SS**  trans-112.1135.5168-158.1-6.5000109.2
496R32.2Very low35.5Very low209 Ų209153.9 Ų153.979%0.78983%0.834SS**  trans-124.9103.3-169.1-78.7-171.9177.2-166.9-0.4111.5
497L35Very low35.5Very low176 Ų176149.8 Ų149.892%0.92183%0.829SS**  trans-141.8128.9165.3-78.2174.1000111
498G35.6Very low35.5Very low83 Ų83143.6 Ų143.686%0.85682%0.819SS**  trans141.3101.1177.700000112.2
499Q28.3Very low35.5Very low201 Ų201144.4 Ų144.494%0.93982%0.822SS**  trans-134.7110.5-169.9179.8-178.10.900111.5
500A33.1Very low35.6Very low109 Ų109141.7 Ų141.790%0.90182%0.821SS**  trans-163.9140.2164.300000110.2
501G39.2Very low35.5Very low82 Ų82140 Ų14085%0.84582%0.821SS**  trans134.6100.9176.500000113.2
502E33.8Very low35.4Very low208 Ų208140.9 Ų140.997%0.97283%0.825SS**  trans-90.2151.3177.4-59.1176.510600111.7
503G35.1Very low35.3Very low75 Ų75141.1 Ų141.177%0.77383%0.826SS**  trans15978.9168.900000117.8
504K36.2Very low35.4Very low162 Ų162137.9 Ų137.970%0.70482%0.819SS**  trans36.5119.3139-84.3-176.4165.6-87.20120.2
505E34.8Very low35.4Very low139 Ų139139.1 Ų139.165%0.6582%0.822SS**  75.6128.1105.4-75.7169.5-170.400114.8
506L37.3Very low35.5Very low140 Ų140140.7 Ų140.773%0.73383%0.825SS**  cis-15416416.4-80.9122.2000112.1
507L36.4Very low35.7Very low149 Ų149136.4 Ų136.478%0.7883%0.827SS**  trans30.7149.4139.1-52.3170.5000121.4
508S34.5Very low35.6Very low100 Ų100140 Ų14070%0.69983%0.828SS**  cis-170.8161.1-11.9-97.50000109.5
509P34.5Very low35.7Very low132 Ų132141 Ų14186%0.85782%0.822SS**  trans-102.4161.7-172.638.6-35.3000115.7
510G35.2Very low36.4Very low81 Ų81137.7 Ų137.784%0.83582%0.818SS**  trans157.6115.6153.800000118.8
511A36.3Very low36.7Very low101 Ų101137.7 Ų137.784%0.83581%0.811SS**  trans-170.2140145.700000110.3
512P36.9Very low36.5Very low128 Ų128143.3 Ų143.383%0.83181%0.813SS**  trans-98.3163.9-17137.4-36.1000116
513L31Very low36.6Very low177 Ų177140.1 Ų140.193%0.92780%0.802SS**  trans-74.8146.1-179.4-67.8162.3000114.3
514T41.2Very low36.7Very low124 Ų124143.6 Ų143.676%0.76180%0.8SS**  trans-135.6105.1164.257.60000114.5
515K39.1Very low36.8Very low190 Ų190144.3 Ų144.383%0.82681%0.806SS**  trans69.6146.4146.3-61179.3179.1176.50120.9
516Q38.9Very low37Very low189 Ų189145.5 Ų145.588%0.88382%0.816SS**  trans67.176.4155.9-72.1172.6-61.400120.2
517S36.8Very low37.1Very low119 Ų119146 Ų14683%0.83282%0.818SS**  -155.1143.2109.256.70000110.4
518R33.7Very low37Very low250 Ų250144.6 Ų144.694%0.94382%0.82SS**  trans-107.3113.3174.9-91.5-174171.7-179.4-2.9109
519S38.4Very low37.2Very low106 Ų106147.9 Ų147.974%0.74183%0.825SS**  trans-76.2146159.3-56.90000109.7S521S519-S521 PolarHBondContact O-N 3.18Å
520P42.6Very low37.4Very low131 Ų131152 Ų15285%0.85185%0.847SS**  trans-73.4108.9179.628.8-33.5000111.1F522P520-F522 PolarHBondContact O-N 3.49Å
521S39.4Very low37.6Very low108 Ų108155.5 Ų155.576%0.75585%0.847SS**  trans-76.1110.8172.155.60000110.6S519 N523S519-S521 PolarHBondContact O-N 3.18Å; S521-N523 PolarHBondContact O-N 2.97Å
522F34.6Very low37.6Very low200 Ų200158.4 Ų158.488%0.87785%0.848SS**  trans-65.7124.3170-130.9-91.9000109.1P520P520-F522 PolarHBondContact O-N 3.49Å
523N36.1Very low37.7Very low141 Ų141160.1 Ų160.175%0.75485%0.849SS**  trans-125.3112.5-174.7-162-7.1000109S521S521-N523 PolarHBondContact O-N 2.97Å
524M36.3Very low38.1Very low148 Ų148159.1 Ų159.173%0.72984%0.844SS**  trans-113.298.4-170.7-167.3-176-62.400110.2L526M524-L526 PolarHBondContact O-N 3.32Å
525Q39.4Very low37.9Very low178 Ų178161.3 Ų161.383%0.83285%0.849SS**  trans-77.4113.7175.2-78.2175.8-77.300110.7I527Q525-I527 PolarHBondContact O-N 3.36Å
526L38.7Very low37.8Very low163 Ų163159.3 Ų159.385%0.85385%0.851SS**  trans-81.9104.1168-71171.9000109.5M524M524-L526 PolarHBondContact O-N 3.32Å
527I38.7Very low37.7Very low152 Ų152157.2 Ų157.278%0.77985%0.849SS**  trans-76.5121.8169.2-63.2175.3000108.2Q525 Q529Q525-I527 PolarHBondContact O-N 3.36Å; I527-Q529 HydrophobicContact CG2-CG 4.34Å
528S35.7Very low37.8Very low118 Ų118160.2 Ų160.283%0.82585%0.85SS**  trans-108119.8170.2178.90000108.7
529Q37.3Very low38.1Very low170 Ų170152.7 Ų152.779%0.79484%0.842SS**  trans-139.1125.4167.2-75.5-164.8-23.200110.9I527I527-Q529 HydrophobicContact CG2-CG 4.34Å
530V40.1Very low38.1Very low217 Ų217156.9 Ų156.9100%1.31585%0.851SS**  trans49.70163.3-163.40000116

Retrieved 530 of 530 residues in 76.7 ms (Link to these results)

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