A0A3Q0KUJ6_SCHMA Loading...

Protein ABHD18 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KUJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 541 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
1M61.1Low73.8Confident128 Ų12861.9 Ų61.963%0.63132%0.323SS*.  0136.80-74.1-175.917300110A463 P466M1-A463 HydrophobicContact CB-CB 3.9Å; M1-A463 HydrophobicContact CG-CB 4.04Å; M1-A463 HydrophobicContact SD-CB 4.32Å; M1-P466 HydrophobicContact CE-CB 4.26Å
2S76.3Confident73.2Confident20 Ų2061.3 Ų61.314%0.1432%0.318CS..  trans-65.7131178.8170.10000113.7F4 D5 Y461S2-F4 VanDerWaalsContact C-N 3.35Å; S2-F4 PolarHBondContact OG-N 3.18Å; S2-D5 WeakPolarHBondContact CB-OD2 3.48Å; S2-D5 PolarHBondContact OG-N 2.58Å; S2-Y461 PolarHBondContact N-O 3.35Å
3T74.7Confident72.8Confident101 Ų10165.8 Ų65.862%0.6235%0.354SS*.Hα-helixtrans-68.7-33.2172.7-51.40000112D5 K6 I7T3-D5 VanDerWaalsContact C-N 3.34Å; T3-D5 PolarHBondContact O-N 3.2Å; T3-K6 PolarHBondContact O-N 2.88Å; T3-I7 HydrophobicContact CG2-CD1 4Å; T3-I7 HydrophobicContact CG2-CG1 4.46Å; T3-I7 WeakPolarHBondContact O-CG1 3.23Å; T3-I7 PolarHBondContact O-N 3.47Å
4F80.4Confident73.3Confident51 Ų5163.6 Ų63.622%0.22434%0.342CS..Hα-helixtrans-64.5-39.8179.8-176.5-106.1000111.9S2 K6 I7 Y8 V336 L340 V491S2-F4 VanDerWaalsContact C-N 3.35Å; S2-F4 PolarHBondContact OG-N 3.18Å; F4-K6 VanDerWaalsContact C-N 3.29Å; F4-K6 PolarHBondContact O-N 2.97Å; F4-I7 PolarHBondContact O-N 3.19Å; F4-Y8 WeakPolarHBondContact O-CB 3.3Å; F4-Y8 PolarHBondContact O-N 3.3Å; F4-V336 HydrophobicContact CD2-CG1 4.06Å; F4-V336 HydrophobicContact CE2-CG1 3.73Å; F4-L340 HydrophobicContact CD2-CD1 4.25Å; F4-L340 HydrophobicContact CE2-CD1 3.48Å; F4-L340 VanDerWaalsContact CE2-CD1 3.48Å; F4-L340 HydrophobicContact CE2-CD2 4.42Å; F4-L340 HydrophobicContact CE2-CG 3.79Å; F4-L340 HydrophobicContact CZ-CD1 4.22Å; F4-L340 HydrophobicContact CZ-CD2 4.46Å; F4-L340 HydrophobicContact CZ-CG 4.02Å; F4-V491 HydrophobicContact CD1-CB 4.03Å; F4-V491 HydrophobicContact CD1-CG1 4.24Å; F4-V491 HydrophobicContact CE1-CB 3.94Å; F4-V491 HydrophobicContact CE1-CG1 3.64Å
5D81.5Confident74.3Confident0 Ų068.5 Ų68.50%036%0.359CS..Hα-helixtrans-60.2-41.4176.4-70.5-3.4000111.3S2 T3 R9 I231 A463 Y464 G489 H490 V491S2-D5 WeakPolarHBondContact CB-OD2 3.48Å; S2-D5 PolarHBondContact OG-N 2.58Å; T3-D5 VanDerWaalsContact C-N 3.34Å; T3-D5 PolarHBondContact O-N 3.2Å; D5-R9 PolarHBondContact O-N 2.96Å; D5-R9 VanDerWaalsContact O-N 3.15Å; D5-I231 HydrophobicContact CB-CD1 3.7Å; D5-A463 HydrophobicContact CB-CB 3.97Å; D5-A463 PolarHBondContact OD2-N 2.81Å; D5-Y464 HydrophobicContact CB-CD2 4.09Å; D5-Y464 HydrophobicContact CB-CE2 3.79Å; D5-G489 WeakPolarHBondContact OD2-CA 3.49Å; D5-H490 PolarHBondContact OD1-N 3.03Å; D5-H490 PolarHBondContact OD2-N 3.24Å; D5-V491 WeakPolarHBondContact OD1-CB 3.34Å; D5-V491 PolarHBondContact OD1-N 3.38Å
6K77.2Confident75.5Confident106 Ų10664.3 Ų64.346%0.46134%0.337SS..Hα-helixtrans-65.8-45.8178-65.7-178.5178.7-176.60111.9T3 F4 R9 S10 I231T3-K6 PolarHBondContact O-N 2.88Å; F4-K6 VanDerWaalsContact C-N 3.29Å; F4-K6 PolarHBondContact O-N 2.97Å; K6-R9 PolarHBondContact O-N 3.45Å; K6-S10 PolarHBondContact O-N 3.34Å; K6-S10 VanDerWaalsContact O-N 3.08Å; K6-I231 HydrophobicContact CB-CD1 4.46Å; K6-I231 HydrophobicContact CG-CD1 3.77Å; K6-I231 HydrophobicContact CG-CG1 4.44Å
7I72.8Confident76.8Confident83 Ų8360.5 Ų60.543%0.42632%0.317SS..Hα-helixtrans-64.3-46.2178.6-66.8168.7000110.7T3 F4 R9 S10 V11T3-I7 HydrophobicContact CG2-CD1 4Å; T3-I7 HydrophobicContact CG2-CG1 4.46Å; T3-I7 WeakPolarHBondContact O-CG1 3.23Å; T3-I7 PolarHBondContact O-N 3.47Å; F4-I7 PolarHBondContact O-N 3.19Å; I7-R9 PolarHBondContact O-N 2.91Å; I7-S10 PolarHBondContact O-N 3.31Å; I7-S10 PolarHBondContact O-OG 2.82Å; I7-V11 WeakPolarHBondContact O-CG2 3.33Å; I7-V11 PolarHBondContact O-N 3.15Å
8Y73.8Confident77.7Confident43 Ų4359.2 Ų59.217%0.16931%0.313CS..Hα-helixtrans-56.4-44.4177.8-179-96000110.7F4 S10 V11 M12 L340 V491F4-Y8 WeakPolarHBondContact O-CB 3.3Å; F4-Y8 PolarHBondContact O-N 3.3Å; Y8-S10 PolarHBondContact O-N 2.97Å; Y8-V11 PolarHBondContact O-N 3.09Å; Y8-M12 HydrophobicContact CE1-SD 3.79Å; Y8-M12 HydrophobicContact CE2-SD 4.08Å; Y8-M12 PolarHBondContact OH-SD 3.03Å; Y8-L340 HydrophobicContact CD2-CD2 3.72Å; Y8-V491 HydrophobicContact CD1-CG1 4.21Å; Y8-V491 HydrophobicContact CD1-CG2 3.88Å; Y8-V491 HydrophobicContact CD2-CG1 4.04Å; Y8-V491 HydrophobicContact CE2-CG1 4.39Å; Y8-V491 HydrophobicContact CG-CG1 3.94Å; Y8-V491 HydrophobicContact CG-CG2 4.15Å
9R76.6Confident78.7Confident25 Ų2562 Ų629%0.09433%0.325CS..Hα-helixtrans-68-37.2-178.7-172.762.7-173.873.1-13.9113.6D5 K6 I7 V11 M12 L14 I231 T235D5-R9 PolarHBondContact O-N 2.96Å; D5-R9 VanDerWaalsContact O-N 3.15Å; K6-R9 PolarHBondContact O-N 3.45Å; I7-R9 PolarHBondContact O-N 2.91Å; R9-V11 PolarHBondContact O-N 3.22Å; R9-M12 VanDerWaalsContact CZ-O 3.22Å; R9-M12 PolarHBondContact NH1-O 3.49Å; R9-M12 PolarHBondContact O-N 2.99Å; R9-L14 VanDerWaalsContact NH2-N 3.16Å; R9-L14 PolarHBondContact NH2-O 2.89Å; R9-I231 HydrophobicContact CB-CG2 3.47Å; R9-I231 VanDerWaalsContact CB-CG2 3.47Å; R9-I231 HydrophobicContact CG-CG2 3.38Å; R9-T235 VanDerWaalsContact CZ-CG2 3.43Å
10S68.4Low79.6Confident44 Ų4458.9 Ų58.931%0.30831%0.309SS..Hα-helixtrans-62.7-22.8179.359.20000112.9K6 I7 Y8K6-S10 PolarHBondContact O-N 3.34Å; K6-S10 VanDerWaalsContact O-N 3.08Å; I7-S10 PolarHBondContact O-N 3.31Å; I7-S10 PolarHBondContact O-OG 2.82Å; Y8-S10 PolarHBondContact O-N 2.97Å
11V68.8Low80.5Confident80 Ų8056.1 Ų56.149%0.48529%0.294SS..Hα-helixtrans-87.7-17.8-179.1-178.30000112.9I7 Y8 R9 P13 I344I7-V11 WeakPolarHBondContact O-CG2 3.33Å; I7-V11 PolarHBondContact O-N 3.15Å; Y8-V11 PolarHBondContact O-N 3.09Å; R9-V11 PolarHBondContact O-N 3.22Å; V11-P13 VanDerWaalsContact O-CD 3.25Å; V11-P13 WeakPolarHBondContact O-CD 3.34Å; V11-I344 HydrophobicContact CG1-CD1 3.76Å
12M67.4Low82.1Confident54 Ų5450.3 Ų50.327%0.26627%0.267SS..SBendtrans-11777.3-177.4-61.9-166.892.800112.2Y8 R9 L14Y8-M12 HydrophobicContact CE1-SD 3.79Å; Y8-M12 HydrophobicContact CE2-SD 4.08Å; Y8-M12 PolarHBondContact OH-SD 3.03Å; R9-M12 VanDerWaalsContact CZ-O 3.22Å; R9-M12 PolarHBondContact NH1-O 3.49Å; R9-M12 PolarHBondContact O-N 2.99Å; M12-L14 PolarHBondContact O-N 3.37Å
13P67.6Low83Confident121 Ų12153 Ų5379%0.78628%0.284SS*.  trans-69.295.1-176.829.5-34.7000111.6V11V11-P13 VanDerWaalsContact O-CD 3.25Å; V11-P13 WeakPolarHBondContact O-CD 3.34Å
14L80.2Confident84.1Confident35 Ų3549.1 Ų49.118%0.18326%0.26CS..  trans-106.3141.6169.2-17369000110R9 M12 F16 Q153 S155 T235R9-L14 VanDerWaalsContact NH2-N 3.16Å; R9-L14 PolarHBondContact NH2-O 2.89Å; M12-L14 PolarHBondContact O-N 3.37Å; L14-F16 HydrophobicContact CD2-CD2 4.18Å; L14-F16 HydrophobicContact CD2-CE2 3.54Å; L14-F16 HydrophobicContact CD2-CZ 4.12Å; L14-F16 HydrophobicContact CG-CD2 4.49Å; L14-F16 HydrophobicContact CG-CE2 4.31Å; L14-Q153 WeakPolarHBondContact CD1-O 3.29Å; L14-S155 VanDerWaalsContact CD2-OG 3.29Å; L14-S155 WeakPolarHBondContact CD2-OG 3.36Å; L14-T235 WeakPolarHBondContact O-CB 3.39Å
15K88.3Confident84.8Confident136 Ų13652 Ų5259%0.59128%0.279SS*.  trans-106.6139.7167.2-72.4-171.3177.2-176.30109.4G156 T235K15-G156 WeakPolarHBondContact O-CA 3.43Å; K15-T235 WeakPolarHBondContact CA-O 3.38Å
16F93.8Very high85.5Confident2 Ų253.4 Ų53.41%0.00929%0.287CS..BIsolated β-bridgetrans-107.1147.6169.1-86.5-93.6000109.1L14 S18 T113 S155 L157 F227 L232 T235 N237L14-F16 HydrophobicContact CD2-CD2 4.18Å; L14-F16 HydrophobicContact CD2-CE2 3.54Å; L14-F16 HydrophobicContact CD2-CZ 4.12Å; L14-F16 HydrophobicContact CG-CD2 4.49Å; L14-F16 HydrophobicContact CG-CE2 4.31Å; F16-S18 VanDerWaalsContact C-N 3.33Å; F16-S18 PolarHBondContact O-N 3.29Å; F16-T113 HydrophobicContact CE2-CG2 4.28Å; F16-T113 HydrophobicContact CZ-CG2 3.86Å; F16-S155 WeakPolarHBondContact CE1-O 3.44Å; F16-S155 VanDerWaalsContact CZ-O 3.22Å; F16-S155 WeakPolarHBondContact CZ-O 3.47Å; F16-L157 HydrophobicContact CD1-CB 4.23Å; F16-L157 HydrophobicContact CE1-CB 4.42Å; F16-L157 HydrophobicContact CE1-CG 4.27Å; F16-F227 HydrophobicContact CB-CE1 4.38Å; F16-F227 AromaticContact CD1-CE1 3.92Å; F16-F227 HydrophobicContact CD1-CE1 3.92Å; F16-F227 HydrophobicContact CD1-CZ 4.32Å; F16-F227 HydrophobicContact CD2-CE1 4.39Å; F16-F227 HydrophobicContact CE1-CE1 4.24Å; F16-F227 HydrophobicContact CE1-CZ 4.32Å; F16-F227 AromaticContact CG-CE1 3.99Å; F16-F227 HydrophobicContact CG-CE1 3.99Å; F16-L232 HydrophobicContact CE2-CD2 4.43Å; F16-T235 VanDerWaalsContact CD2-OG1 3.29Å; F16-T235 WeakPolarHBondContact CD2-OG1 3.43Å; F16-T235 PolarHBondContact N-O 2.97Å; F16-N237 PolarHBondContact O-N 3.17Å; F16-N237 VanDerWaalsContact O-N 3.14Å
17F96.3Very high86.4Confident0 Ų048.4 Ų48.40%027%0.265CS..  trans60.940.8175-43-42.3000112.4E19 G20 L157 N158 S159 V160 L163 F227 V236 L241F17-E19 PolarHBondContact O-N 2.8Å; F17-G20 PolarHBondContact O-N 2.76Å; F17-L157 WeakPolarHBondContact CA-O 3.41Å; F17-L157 HydrophobicContact CE1-CB 4.35Å; F17-L157 PolarHBondContact N-O 3.05Å; F17-N158 CarbonylContact C-O 3.6Å; F17-N158 WeakPolarHBondContact CA-O 3.15Å; F17-S159 VanDerWaalsContact CD1-C 3.41Å; F17-S159 WeakPolarHBondContact CD1-O 3.08Å; F17-V160 HydrophobicContact CB-CG2 4.05Å; F17-V160 HydrophobicContact CD1-CB 4.36Å; F17-V160 HydrophobicContact CD1-CG2 3.89Å; F17-V160 HydrophobicContact CD2-CG2 3.73Å; F17-V160 HydrophobicContact CE1-CB 4.45Å; F17-V160 HydrophobicContact CE1-CG2 4.25Å; F17-V160 HydrophobicContact CE2-CG2 4.1Å; F17-V160 HydrophobicContact CG-CG2 3.6Å; F17-V160 HydrophobicContact CZ-CG2 4.35Å; F17-L163 HydrophobicContact CZ-CD2 4.46Å; F17-F227 AromaticContact CE2-CD1 3.82Å; F17-F227 HydrophobicContact CE2-CD1 3.82Å; F17-F227 AromaticContact CE2-CE1 3.99Å; F17-F227 HydrophobicContact CE2-CE1 3.99Å; F17-F227 HydrophobicContact CE2-CG 4.23Å; F17-F227 HydrophobicContact CZ-CD1 4.14Å; F17-F227 AromaticContact CZ-CE1 3.88Å; F17-F227 HydrophobicContact CZ-CE1 3.88Å; F17-F227 HydrophobicContact CZ-CE2 4.45Å; F17-F227 HydrophobicContact CZ-CZ 4.05Å; F17-V236 HydrophobicContact CD2-CG1 4.24Å; F17-V236 HydrophobicContact CD2-CG2 4.19Å; F17-V236 HydrophobicContact CE2-CG2 4.28Å; F17-L241 HydrophobicContact CB-CD2 4.46Å
18S94.3Very high87.6Confident36 Ų3646.1 Ų46.125%0.25225%0.254SS..THydrogen-bonded Turntrans-60.9-31.4-179.451.40000113F16 N158F16-S18 VanDerWaalsContact C-N 3.33Å; F16-S18 PolarHBondContact O-N 3.29Å; S18-N158 PolarHBondContact N-O 3.39Å; S18-N158 VanDerWaalsContact N-O 3.09Å
19E95.8Very high88.7Confident113 Ų11348.5 Ų48.553%0.52827%0.265SS..THydrogen-bonded Turntrans-95.66.2177.1-54-53.2131.300112.7F17 N158 Q244F17-E19 PolarHBondContact O-N 2.8Å; E19-N158 WeakPolarHBondContact CA-O 3.23Å; E19-N158 HydrophobicContact CB-CB 4.24Å; E19-N158 WeakPolarHBondContact CB-O 3.33Å; E19-N158 HydrophobicContact CG-CB 3.84Å; E19-N158 PolarHBondContact N-O 2.86Å; E19-Q244 PolarHBondContact O-NE2 3.18Å
20G97Very high89.7Confident0 Ų047.6 Ų47.60%026%0.262CS..BIsolated β-bridgetrans88.9-140.2170.800000115.5F17 S159 V160 L241F17-G20 PolarHBondContact O-N 2.76Å; G20-S159 CarbonylContact O-C 3.11Å; G20-S159 WeakPolarHBondContact O-CA 3.45Å; G20-V160 PolarHBondContact O-N 2.79Å; G20-L241 VanDerWaalsContact C-CD2 3.48Å
21W97.9Very high91.1Very high0 Ų045.7 Ų45.70%025%0.248CC..THydrogen-bonded Turntrans-74.7-30.6-174.1-57.8106.1000112.6L27 V160 S161 L241 Y251 V428 F431 L432 L435W21-L27 HydrophobicContact CB-CD1 4.4Å; W21-V160 HydrophobicContact CE3-CB 4.17Å; W21-V160 HydrophobicContact CE3-CG1 4.39Å; W21-V160 HydrophobicContact CE3-CG2 3.78Å; W21-V160 HydrophobicContact CZ3-CG2 4.23Å; W21-V160 PolarHBondContact O-N 3.02Å; W21-S161 WeakPolarHBondContact O-CB 3.46Å; W21-S161 PolarHBondContact O-N 3.31Å; W21-S161 PolarHBondContact O-OG 3.49Å; W21-S161 VanDerWaalsContact O-OG 3.04Å; W21-L241 HydrophobicContact CD2-CD2 3.62Å; W21-L241 HydrophobicContact CE3-CD2 4Å; W21-L241 HydrophobicContact CG-CD2 3.98Å; W21-L241 HydrophobicContact CH2-CB 4.46Å; W21-L241 HydrophobicContact CH2-CD1 4.29Å; W21-L241 HydrophobicContact CH2-CD2 4.42Å; W21-L241 HydrophobicContact CZ2-CB 3.73Å; W21-L241 HydrophobicContact CZ2-CD1 4.36Å; W21-L241 HydrophobicContact CZ2-CD2 4.07Å; W21-L241 HydrophobicContact CZ2-CG 4.27Å; W21-L241 HydrophobicContact CZ3-CD2 4.38Å; W21-L241 PolarHBondContact NE1-O 2.59Å; W21-Y251 HydrophobicContact CB-CD1 4.24Å; W21-Y251 HydrophobicContact CB-CE1 3.46Å; W21-Y251 VanDerWaalsContact CB-CE1 3.46Å; W21-Y251 AromaticContact CD1-CZ 3.89Å; W21-Y251 HydrophobicContact CG-CD1 4.23Å; W21-Y251 AromaticContact CG-CE1 3.85Å; W21-Y251 HydrophobicContact CG-CE1 3.85Å; W21-V428 HydrophobicContact CH2-CG1 4.37Å; W21-V428 HydrophobicContact CZ2-CG1 3.77Å; W21-F431 HydrophobicContact CD2-CD1 4.42Å; W21-F431 HydrophobicContact CD2-CE1 4.17Å; W21-F431 HydrophobicContact CE3-CD1 4.27Å; W21-F431 HydrophobicContact CE3-CE1 4.11Å; W21-F431 AromaticContact CH2-CD1 3.48Å; W21-F431 HydrophobicContact CH2-CD1 3.48Å; W21-F431 VanDerWaalsContact CH2-CD1 3.48Å; W21-F431 HydrophobicContact CH2-CE1 4.14Å; W21-F431 HydrophobicContact CH2-CG 4.42Å; W21-F431 AromaticContact CZ2-CD1 3.64Å; W21-F431 HydrophobicContact CZ2-CD1 3.64Å; W21-F431 HydrophobicContact CZ2-CE1 4.19Å; W21-F431 AromaticContact CZ3-CD1 3.82Å; W21-F431 HydrophobicContact CZ3-CD1 3.82Å; W21-F431 HydrophobicContact CZ3-CE1 4.1Å; W21-L432 HydrophobicContact CH2-CB 3.73Å; W21-L432 HydrophobicContact CH2-CD1 4.28Å; W21-L432 HydrophobicContact CZ3-CB 3.9Å; W21-L432 HydrophobicContact CZ3-CD1 3.64Å; W21-L432 HydrophobicContact CZ3-CG 4.34Å; W21-L435 HydrophobicContact CE3-CD1 3.68Å; W21-L435 HydrophobicContact CZ3-CD1 3.67Å
22G95.7Very high92.4Very high7 Ų746.9 Ų46.97%0.07225%0.248CC..  trans83.2168.3-165.400000111.9S161 Y251G22-S161 WeakPolarHBondContact CA-OG 3.41Å; G22-Y251 PolarHBondContact O-OH 3.3Å
23P95.1Very high93.7Very high75 Ų7545 Ų4549%0.48724%0.239SC..  trans-59.8136-163.5-24.333.7000113.2D25 T26 L27P23-D25 VanDerWaalsContact C-N 3.29Å; P23-D25 PolarHBondContact O-N 3Å; P23-T26 WeakPolarHBondContact O-CB 3.37Å; P23-T26 PolarHBondContact O-N 3.31Å; P23-L27 PolarHBondContact O-N 3.06Å
24P96.6Very high95.1Very high20 Ų2039.8 Ų39.813%0.1321%0.205CC..Hα-helixtrans-53.8-43177.7-27.233.3000113.4T26 L27 I28 D248 A250 Y251 I255P24-T26 PolarHBondContact O-N 3.33Å; P24-L27 WeakPolarHBondContact O-CB 3.49Å; P24-L27 PolarHBondContact O-N 2.89Å; P24-I28 WeakPolarHBondContact O-CG1 3.48Å; P24-I28 PolarHBondContact O-N 3.02Å; P24-D248 VanDerWaalsContact CG-OD2 3.27Å; P24-D248 WeakPolarHBondContact CG-OD2 3.45Å; P24-A250 HydrophobicContact CB-CB 3.84Å; P24-A250 HydrophobicContact CG-CB 4.04Å; P24-Y251 HydrophobicContact CG-CE1 4.08Å; P24-Y251 HydrophobicContact CG-CE2 4.28Å; P24-I255 HydrophobicContact CB-CD1 3.94Å
25D95.9Very high95.7Very high113 Ų11344 Ų4460%0.60422%0.221SC*.Hα-helixtrans-57.5-36.4176.8-70-11.3000112.8P23 K29P23-D25 VanDerWaalsContact C-N 3.29Å; P23-D25 PolarHBondContact O-N 3Å; D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.26Å; D25-K29 PolarHBondContact O-N 3.4Å; D25-K29 VanDerWaalsContact O-N 3.09Å
26T96.2Very high96Very high29 Ų2940.6 Ų40.618%0.17821%0.209CC..Hα-helixtrans-68.8-43.3176.6-60.50000110.5P23 P24 K29 L30 I165P23-T26 WeakPolarHBondContact O-CB 3.37Å; P23-T26 PolarHBondContact O-N 3.31Å; P24-T26 PolarHBondContact O-N 3.33Å; T26-K29 PolarHBondContact O-N 3.26Å; T26-L30 HydrophobicContact CG2-CD1 4.07Å; T26-L30 WeakPolarHBondContact O-CB 3.38Å; T26-L30 WeakPolarHBondContact O-CD1 3.46Å; T26-L30 VanDerWaalsContact O-CG 3.26Å; T26-L30 WeakPolarHBondContact O-CG 3.18Å; T26-L30 PolarHBondContact O-N 3.07Å; T26-I165 HydrophobicContact CG2-CD1 3.95Å
27L97.1Very high96.1Very high0 Ų040.7 Ų40.70%021%0.21CC..Hα-helixtrans-63.5-41.3176.3-71.9171.4000111.8W21 P23 P24 L30 I31 F164 Y251 I255W21-L27 HydrophobicContact CB-CD1 4.4Å; P23-L27 PolarHBondContact O-N 3.06Å; P24-L27 WeakPolarHBondContact O-CB 3.49Å; P24-L27 PolarHBondContact O-N 2.89Å; L27-L30 HydrophobicContact CD2-CD1 4.27Å; L27-L30 WeakPolarHBondContact O-CB 3.1Å; L27-L30 PolarHBondContact O-N 2.95Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.47Å; L27-I31 PolarHBondContact O-N 3.48Å; L27-F164 HydrophobicContact CD2-CD2 3.93Å; L27-F164 HydrophobicContact CD2-CE2 4.05Å; L27-Y251 HydrophobicContact CD1-CD1 4.24Å; L27-Y251 HydrophobicContact CD1-CE1 3.84Å; L27-I255 HydrophobicContact CB-CD1 3.86Å; L27-I255 HydrophobicContact CD1-CD1 3.87Å
28I97.3Very high96.1Very high36 Ų3642.1 Ų42.119%0.18522%0.218CC..Hα-helixtrans-60.3-47.5175.9-67.5165.6000110.5P24 L30 I31 E32 V254 I255P24-I28 WeakPolarHBondContact O-CG1 3.48Å; P24-I28 PolarHBondContact O-N 3.02Å; I28-L30 VanDerWaalsContact C-N 3.3Å; I28-L30 PolarHBondContact O-N 3.04Å; I28-I31 WeakPolarHBondContact O-CB 3.31Å; I28-I31 PolarHBondContact O-N 3.01Å; I28-I31 VanDerWaalsContact O-N 3.15Å; I28-E32 WeakPolarHBondContact O-CG 3.31Å; I28-E32 PolarHBondContact O-N 3.4Å; I28-V254 HydrophobicContact CD1-CG1 4.01Å; I28-I255 HydrophobicContact CG1-CG1 4.08Å
29K97.2Very high96.2Very high93 Ų9343 Ų4340%0.40422%0.22SC..Hα-helixtrans-63.2-35.2176-70.3172.7-174.1174.80112.8D25 T26 E32 N33 I78D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.26Å; D25-K29 PolarHBondContact O-N 3.4Å; D25-K29 VanDerWaalsContact O-N 3.09Å; T26-K29 PolarHBondContact O-N 3.26Å; K29-E32 PolarHBondContact O-N 2.84Å; K29-N33 WeakPolarHBondContact O-CB 3.44Å; K29-N33 PolarHBondContact O-N 3.4Å; K29-I78 HydrophobicContact CB-CD1 3.97Å; K29-I78 HydrophobicContact CB-CG1 4.23Å; K29-I78 HydrophobicContact CB-CG2 4Å; K29-I78 HydrophobicContact CD-CG2 3.92Å
30L97.4Very high96.3Very high6 Ų639.6 Ų39.63%0.03120%0.203CC..Hα-helixtrans-64.9-42.5173.6-74.7163.5000111.3T26 L27 I28 E32 N33 M34 F74 I78 F164 I165 F439T26-L30 HydrophobicContact CG2-CD1 4.07Å; T26-L30 WeakPolarHBondContact O-CB 3.38Å; T26-L30 WeakPolarHBondContact O-CD1 3.46Å; T26-L30 VanDerWaalsContact O-CG 3.26Å; T26-L30 WeakPolarHBondContact O-CG 3.18Å; T26-L30 PolarHBondContact O-N 3.07Å; L27-L30 HydrophobicContact CD2-CD1 4.27Å; L27-L30 WeakPolarHBondContact O-CB 3.1Å; L27-L30 PolarHBondContact O-N 2.95Å; I28-L30 VanDerWaalsContact C-N 3.3Å; I28-L30 PolarHBondContact O-N 3.04Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-N33 PolarHBondContact O-N 2.96Å; L30-M34 WeakPolarHBondContact O-CG 3.42Å; L30-M34 PolarHBondContact O-N 2.93Å; L30-F74 HydrophobicContact CD2-CZ 4.01Å; L30-I78 HydrophobicContact CB-CD1 4.4Å; L30-I78 HydrophobicContact CD2-CD1 3.62Å; L30-I78 HydrophobicContact CG-CD1 3.77Å; L30-F164 HydrophobicContact CD1-CB 3.87Å; L30-F164 HydrophobicContact CD1-CD2 4.34Å; L30-F164 HydrophobicContact CD2-CB 4.19Å; L30-I165 HydrophobicContact CD1-CG1 4.26Å; L30-I165 HydrophobicContact CD2-CG1 4.25Å; L30-F439 HydrophobicContact CB-CE1 3.66Å; L30-F439 HydrophobicContact CB-CZ 3.64Å
31I97.4Very high96.3Very high3 Ų345.2 Ų45.22%0.01523%0.233CC..Hα-helixtrans-61.5-42.3174.2-68.7166.3000110.7L27 I28 N33 M34 I255 Q258 I259 Y438 F439L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.47Å; L27-I31 PolarHBondContact O-N 3.48Å; I28-I31 WeakPolarHBondContact O-CB 3.31Å; I28-I31 PolarHBondContact O-N 3.01Å; I28-I31 VanDerWaalsContact O-N 3.15Å; I31-N33 PolarHBondContact O-N 3.19Å; I31-M34 WeakPolarHBondContact O-CB 3.27Å; I31-M34 PolarHBondContact O-N 2.69Å; I31-I255 HydrophobicContact CD1-CG2 4.06Å; I31-Q258 HydrophobicContact CD1-CB 4.26Å; I31-Q258 HydrophobicContact CG2-CB 4.22Å; I31-I259 HydrophobicContact CD1-CG2 3.58Å; I31-I259 HydrophobicContact CG1-CG2 3.95Å; I31-Y438 HydrophobicContact CB-CE1 4.45Å; I31-Y438 HydrophobicContact CG1-CE1 4.05Å; I31-Y438 HydrophobicContact CG2-CE1 4.35Å; I31-F439 HydrophobicContact CG1-CE2 4.29Å; I31-F439 HydrophobicContact CG1-CZ 3.74Å
32E96.1Very high96.2Very high105 Ų10550.4 Ų50.449%0.49126%0.256SS..Hα-helixtrans-61.3-44.8174.5-70.8176.4165.900111.8I28 K29 L30 M34 K35I28-E32 WeakPolarHBondContact O-CG 3.31Å; I28-E32 PolarHBondContact O-N 3.4Å; K29-E32 PolarHBondContact O-N 2.84Å; L30-E32 VanDerWaalsContact C-N 3.34Å; E32-M34 VanDerWaalsContact C-N 3.28Å; E32-M34 PolarHBondContact O-N 2.99Å; E32-K35 VanDerWaalsContact O-CB 3.3Å; E32-K35 WeakPolarHBondContact O-CB 2.94Å; E32-K35 WeakPolarHBondContact O-CG 3.17Å; E32-K35 PolarHBondContact O-N 3.3Å; E32-K35 VanDerWaalsContact O-N 3.16Å
33N95.4Very high96.3Very high14 Ų1450.3 Ų50.38%0.07525%0.253CS..Hα-helixtrans-65-29.8177.9-175.654.2000112.9K29 L30 I31 K35 I36 V37 V77K29-N33 WeakPolarHBondContact O-CB 3.44Å; K29-N33 PolarHBondContact O-N 3.4Å; L30-N33 PolarHBondContact O-N 2.96Å; I31-N33 PolarHBondContact O-N 3.19Å; N33-K35 PolarHBondContact O-N 2.92Å; N33-K35 VanDerWaalsContact O-N 3.16Å; N33-I36 WeakPolarHBondContact O-CB 3.45Å; N33-I36 PolarHBondContact O-N 2.93Å; N33-V37 WeakPolarHBondContact ND2-CG1 3.49Å; N33-V37 PolarHBondContact O-N 2.72Å; N33-V77 HydrophobicContact CB-CG1 4.33Å; N33-V77 VanDerWaalsContact OD1-CG1 3.31Å; N33-V77 WeakPolarHBondContact OD1-CG1 3.27Å
34M96.4Very high96.2Very high12 Ų1249.2 Ų49.26%0.05925%0.247CC..Hα-helixtrans-56.5-29.8174.1-77.6-69.3-73.700112.6L30 I31 E32 I36 V37 T38 Y438 F439 F445L30-M34 WeakPolarHBondContact O-CG 3.42Å; L30-M34 PolarHBondContact O-N 2.93Å; I31-M34 WeakPolarHBondContact O-CB 3.27Å; I31-M34 PolarHBondContact O-N 2.69Å; E32-M34 VanDerWaalsContact C-N 3.28Å; E32-M34 PolarHBondContact O-N 2.99Å; M34-I36 PolarHBondContact O-N 3.2Å; M34-I36 VanDerWaalsContact O-N 3.15Å; M34-V37 HydrophobicContact SD-CG2 3.83Å; M34-T38 HydrophobicContact CB-CG2 4.49Å; M34-T38 HydrophobicContact CE-CG2 3.36Å; M34-T38 WeakPolarHBondContact O-CB 2.96Å; M34-T38 VanDerWaalsContact O-CG2 3.29Å; M34-T38 WeakPolarHBondContact O-CG2 3.36Å; M34-T38 PolarHBondContact O-N 3.16Å; M34-T38 PolarHBondContact O-OG1 3.39Å; M34-T38 HydrophobicContact SD-CG2 3.99Å; M34-Y438 HydrophobicContact CB-CE1 4.02Å; M34-Y438 HydrophobicContact CE-CD1 4.47Å; M34-Y438 HydrophobicContact CE-CE1 4.36Å; M34-Y438 WeakPolarHBondContact CE-O 3.41Å; M34-Y438 HydrophobicContact CG-CE1 3.84Å; M34-F439 HydrophobicContact CE-CD1 4.3Å; M34-F439 HydrophobicContact CG-CD1 3.55Å; M34-F439 HydrophobicContact CG-CE1 3.41Å; M34-F439 VanDerWaalsContact CG-CE1 3.41Å; M34-F439 HydrophobicContact CG-CZ 4.5Å; M34-F439 HydrophobicContact SD-CD1 3.71Å; M34-F439 HydrophobicContact SD-CE1 4.19Å; M34-F445 HydrophobicContact CE-CE2 4.24Å; M34-F445 HydrophobicContact CE-CZ 3.84Å; M34-F445 HydrophobicContact SD-CZ 4.11Å
35K93.3Very high96.1Very high123 Ų12352.9 Ų52.954%0.53527%0.273SS..Hα-helixtrans-63.5-19.1175.8-59.2173.7-177.5169.90113.5E32 N33 K42E32-K35 VanDerWaalsContact O-CB 3.3Å; E32-K35 WeakPolarHBondContact O-CB 2.94Å; E32-K35 WeakPolarHBondContact O-CG 3.17Å; E32-K35 PolarHBondContact O-N 3.3Å; E32-K35 VanDerWaalsContact O-N 3.16Å; N33-K35 PolarHBondContact O-N 2.92Å; N33-K35 VanDerWaalsContact O-N 3.16Å; K35-K42 VanDerWaalsContact O-CD 3.31Å; K35-K42 WeakPolarHBondContact O-CD 3.34Å
36I94.9Very high95.8Very high65 Ų6549.7 Ų49.733%0.33326%0.257SS..Hα-helixtrans-100.9-54.8178.3-58.9174000109.9N33 M34 T38 N39 V46N33-I36 WeakPolarHBondContact O-CB 3.45Å; N33-I36 PolarHBondContact O-N 2.93Å; M34-I36 PolarHBondContact O-N 3.2Å; M34-I36 VanDerWaalsContact O-N 3.15Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 3.24Å; I36-N39 PolarHBondContact O-N 3.21Å; I36-V46 HydrophobicContact CG2-CG2 3.68Å
37V94.7Very high95.2Very high4 Ų453.7 Ų53.72%0.02428%0.278CS..Hα-helixtrans-72.4-19.6-169.4-61.30000114.5N33 M34 F43 V207N33-V37 WeakPolarHBondContact ND2-CG1 3.49Å; N33-V37 PolarHBondContact O-N 2.72Å; M34-V37 HydrophobicContact SD-CG2 3.83Å; V37-F43 HydrophobicContact CB-CD2 4.42Å; V37-F43 HydrophobicContact CG1-CD2 4.01Å; V37-F43 HydrophobicContact CG1-CE2 4.22Å; V37-V207 VanDerWaalsContact O-CG1 3.23Å; V37-V207 WeakPolarHBondContact O-CG1 3.35Å
38T96.3Very high94.5Very high30 Ų3054.4 Ų54.418%0.18428%0.281CS..THydrogen-bonded Turntrans-79-22.5175550000113.2M34 I36 N444 F445 S446M34-T38 HydrophobicContact CB-CG2 4.49Å; M34-T38 HydrophobicContact CE-CG2 3.36Å; M34-T38 WeakPolarHBondContact O-CB 2.96Å; M34-T38 VanDerWaalsContact O-CG2 3.29Å; M34-T38 WeakPolarHBondContact O-CG2 3.36Å; M34-T38 PolarHBondContact O-N 3.16Å; M34-T38 PolarHBondContact O-OG1 3.39Å; M34-T38 HydrophobicContact SD-CG2 3.99Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 3.24Å; T38-N444 VanDerWaalsContact CB-O 3.23Å; T38-N444 WeakPolarHBondContact CB-O 3.38Å; T38-N444 WeakPolarHBondContact CG2-O 3.37Å; T38-F445 HydrophobicContact CG2-CD1 4Å; T38-F445 HydrophobicContact CG2-CE1 3.93Å; T38-F445 HydrophobicContact CG2-CG 4.31Å; T38-F445 HydrophobicContact CG2-CZ 4.18Å; T38-F445 CarbonylContact O-C 3.51Å; T38-S446 PolarHBondContact O-N 3.32Å; T38-S446 PolarHBondContact O-OG 2.86Å
39N97.3Very high93.8Very high55 Ų5562.4 Ų62.429%0.29431%0.309SS..SBendtrans-106.9113.3-179.6-177.3-72.8000110I36 D41 K42 F43 S446I36-N39 PolarHBondContact O-N 3.21Å; N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 2.88Å; N39-D41 PolarHBondContact OD1-N 3.4Å; N39-D41 VanDerWaalsContact OD1-N 3.1Å; N39-K42 HydrophobicContact CB-CB 4.1Å; N39-K42 HydrophobicContact CB-CD 4.02Å; N39-K42 HydrophobicContact CB-CG 4.12Å; N39-K42 PolarHBondContact O-N 2.61Å; N39-K42 WeakPolarHBondContact OD1-CG 3.5Å; N39-K42 PolarHBondContact OD1-N 3.46Å; N39-F43 WeakPolarHBondContact O-CB 3.36Å; N39-F43 PolarHBondContact O-N 3.03Å; N39-S446 WeakPolarHBondContact CA-OG 3.49Å
40R97.4Very high93.3Very high41 Ų4159.6 Ų59.616%0.15530%0.3CS..Hα-helixtrans-56.9-41.6-176.5176.9168.860.1-140.4-9.6113.3F43 C44 W208 S446 P447 I449R40-F43 PolarHBondContact O-N 3.47Å; R40-C44 WeakPolarHBondContact O-CB 3.49Å; R40-C44 PolarHBondContact O-N 2.93Å; R40-C44 PolarHBondContact O-SG 2.81Å; R40-W208 WeakPolarHBondContact CD-O 3.3Å; R40-S446 PolarHBondContact N-OG 3.49Å; R40-P447 PolarHBondContact NH1-O 3.24Å; R40-I449 VanDerWaalsContact NH1-CD1 3.27Å
41D96.2Very high93.1Very high118 Ų11866.7 Ų66.763%0.63134%0.338SS*.Hα-helixtrans-69.3-43.1-176.5-58.6-29.8000110.8N39 C44 S45N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 2.88Å; N39-D41 PolarHBondContact OD1-N 3.4Å; N39-D41 VanDerWaalsContact OD1-N 3.1Å; D41-C44 PolarHBondContact O-N 3.42Å; D41-S45 PolarHBondContact O-N 3.01Å
42K96.9Very high93.1Very high110 Ų11067.8 Ų67.848%0.47834%0.343SS..Hα-helixtrans-61.1-46.2171.6-68.1-176.5-175.9178.60111.2K35 N39 C44 S45 V46K35-K42 VanDerWaalsContact O-CD 3.31Å; K35-K42 WeakPolarHBondContact O-CD 3.34Å; N39-K42 HydrophobicContact CB-CB 4.1Å; N39-K42 HydrophobicContact CB-CD 4.02Å; N39-K42 HydrophobicContact CB-CG 4.12Å; N39-K42 PolarHBondContact O-N 2.61Å; N39-K42 WeakPolarHBondContact OD1-CG 3.5Å; N39-K42 PolarHBondContact OD1-N 3.46Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 3.47Å; K42-S45 WeakPolarHBondContact O-CB 3.38Å; K42-S45 PolarHBondContact O-N 3.32Å; K42-S45 VanDerWaalsContact O-N 3.16Å; K42-S45 PolarHBondContact O-OG 3.48Å; K42-V46 PolarHBondContact O-N 3.36Å
43F96.8Very high93.1Very high4 Ų468.3 Ų68.32%0.01835%0.345CS..Hα-helixtrans-59.7-43.1176.4-176.5-90.5000112.1V37 N39 R40 S45 V46 I48 I171 M172 V207V37-F43 HydrophobicContact CB-CD2 4.42Å; V37-F43 HydrophobicContact CG1-CD2 4.01Å; V37-F43 HydrophobicContact CG1-CE2 4.22Å; N39-F43 WeakPolarHBondContact O-CB 3.36Å; N39-F43 PolarHBondContact O-N 3.03Å; R40-F43 PolarHBondContact O-N 3.47Å; F43-S45 PolarHBondContact O-N 2.85Å; F43-V46 VanDerWaalsContact O-CB 3.3Å; F43-V46 WeakPolarHBondContact O-CB 3.37Å; F43-V46 PolarHBondContact O-N 3.45Å; F43-I48 HydrophobicContact CE1-CD1 3.84Å; F43-I48 HydrophobicContact CE2-CD1 4.2Å; F43-I48 HydrophobicContact CZ-CD1 3.48Å; F43-I48 VanDerWaalsContact CZ-CD1 3.48Å; F43-I171 HydrophobicContact CD2-CG2 4.39Å; F43-I171 HydrophobicContact CE2-CG2 3.63Å; F43-I171 HydrophobicContact CZ-CG2 3.75Å; F43-M172 HydrophobicContact CE2-CG 3.95Å; F43-M172 HydrophobicContact CZ-CG 4.17Å; F43-V207 HydrophobicContact CB-CB 4.37Å; F43-V207 HydrophobicContact CB-CG1 4.28Å; F43-V207 HydrophobicContact CD1-CB 3.57Å; F43-V207 HydrophobicContact CD1-CG1 4.17Å; F43-V207 HydrophobicContact CD1-CG2 4Å; F43-V207 HydrophobicContact CD2-CB 4.45Å; F43-V207 HydrophobicContact CD2-CG1 4.2Å; F43-V207 HydrophobicContact CE1-CB 3.88Å; F43-V207 HydrophobicContact CE1-CG2 3.75Å; F43-V207 HydrophobicContact CG-CB 3.87Å; F43-V207 HydrophobicContact CG-CG1 3.95Å; F43-V207 HydrophobicContact CZ-CB 4.44Å; F43-V207 HydrophobicContact CZ-CG2 4.12Å
44C94.2Very high93.2Very high53 Ų5370.8 Ų70.836%0.35836%0.358SS..Hα-helixtrans-66-25.9178.3-71.20000112.9R40 D41 K42 V46R40-C44 WeakPolarHBondContact O-CB 3.49Å; R40-C44 PolarHBondContact O-N 2.93Å; R40-C44 PolarHBondContact O-SG 2.81Å; D41-C44 PolarHBondContact O-N 3.42Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 3.47Å; C44-V46 PolarHBondContact O-N 3.37Å
45S93Very high93.3Very high97 Ų9773.7 Ų73.768%0.67837%0.374SS*.Hα-helixtrans-71.4-17.8172.679.70000113.4D41 K42 F43 N47D41-S45 PolarHBondContact O-N 3.01Å; K42-S45 WeakPolarHBondContact O-CB 3.38Å; K42-S45 PolarHBondContact O-N 3.32Å; K42-S45 VanDerWaalsContact O-N 3.16Å; K42-S45 PolarHBondContact O-OG 3.48Å; F43-S45 PolarHBondContact O-N 2.85Å; S45-N47 PolarHBondContact O-N 2.94Å
46V90.3Very high93.5Very high46 Ų4673.2 Ų73.228%0.27937%0.372SS..SBendtrans-73118.3174-1760000109.1I36 K42 F43 C44 I48 M172I36-V46 HydrophobicContact CG2-CG2 3.68Å; K42-V46 PolarHBondContact O-N 3.36Å; F43-V46 VanDerWaalsContact O-CB 3.3Å; F43-V46 WeakPolarHBondContact O-CB 3.37Å; F43-V46 PolarHBondContact O-N 3.45Å; C44-V46 PolarHBondContact O-N 3.37Å; V46-I48 VanDerWaalsContact C-N 3.29Å; V46-I48 HydrophobicContact CG1-CG1 4.14Å; V46-I48 PolarHBondContact O-N 3.31Å; V46-M172 HydrophobicContact CG1-CE 4.42Å
47N83.6Confident93.6Very high113 Ų11375.8 Ų75.860%0.60438%0.381SS*.  trans-7481177.8-176.830.8000111.2S45 R49S45-N47 PolarHBondContact O-N 2.94Å; N47-R49 PolarHBondContact ND2-NE 3.32Å; N47-R49 PolarHBondContact O-N 2.93Å; N47-R49 VanDerWaalsContact O-N 3.16Å; N47-R49 WeakPolarHBondContact OD1-CG 3.49Å; N47-R49 PolarHBondContact OD1-NE 3.16Å
48I83.5Confident93.7Very high14 Ų1478.4 Ų78.47%0.07240%0.396CS..  trans-75.2100172.8-57.5175.9000108.5F43 V46 T50 P73 M172 A176F43-I48 HydrophobicContact CE1-CD1 3.84Å; F43-I48 HydrophobicContact CE2-CD1 4.2Å; F43-I48 HydrophobicContact CZ-CD1 3.48Å; F43-I48 VanDerWaalsContact CZ-CD1 3.48Å; V46-I48 VanDerWaalsContact C-N 3.29Å; V46-I48 HydrophobicContact CG1-CG1 4.14Å; V46-I48 PolarHBondContact O-N 3.31Å; I48-T50 HydrophobicContact CG2-CG2 4.41Å; I48-P73 HydrophobicContact CG2-CB 3.91Å; I48-P73 HydrophobicContact CG2-CG 3.53Å; I48-M172 HydrophobicContact CD1-CB 4.36Å; I48-M172 HydrophobicContact CD1-CE 3.92Å; I48-M172 HydrophobicContact CD1-CG 4.36Å; I48-M172 HydrophobicContact CG1-CE 3.92Å; I48-A176 HydrophobicContact CG2-CB 4.23Å
49R80.8Confident93.7Very high205 Ų20581.8 Ų81.877%0.77441%0.41SS*.  trans-110.4126.7168.5-66.6-175.7-177.7-177.8-3109.3N47N47-R49 PolarHBondContact ND2-NE 3.32Å; N47-R49 PolarHBondContact O-N 2.93Å; N47-R49 VanDerWaalsContact O-N 3.16Å; N47-R49 WeakPolarHBondContact OD1-CG 3.49Å; N47-R49 PolarHBondContact OD1-NE 3.16Å
50T88Confident93.4Very high33 Ų3383 Ų8320%0.20242%0.416CS..  trans-139.6130.1177530000109.7I48 I52 F70 P73 A176I48-T50 HydrophobicContact CG2-CG2 4.41Å; T50-I52 PolarHBondContact O-N 3.04Å; T50-F70 HydrophobicContact CG2-CD2 3.84Å; T50-F70 HydrophobicContact CG2-CE2 4.31Å; T50-P73 HydrophobicContact CG2-CB 4.48Å; T50-P73 HydrophobicContact CG2-CG 3.49Å; T50-P73 VanDerWaalsContact CG2-CG 3.49Å; T50-A176 HydrophobicContact CG2-CB 4.22Å; T50-A176 WeakPolarHBondContact OG1-CB 3.29Å
51D92.7Very high93.1Very high155 Ų15590.7 Ų90.783%0.82945%0.451SS*.  trans-83.6102172.5-61.7-36.8000108.7H53 F70D51-H53 PolarHBondContact O-N 3.43Å; D51-F70 WeakPolarHBondContact O-CB 3.36Å
52I96.7Very high92.9Very high27 Ų2788.3 Ų88.314%0.13844%0.444CS..  trans-77.4113.7177.5-61.2-164000109.4T50 I54 F70 F91 L177 W180T50-I52 PolarHBondContact O-N 3.04Å; I52-I54 HydrophobicContact CG2-CD1 4.5Å; I52-F70 HydrophobicContact CD1-CD1 4.2Å; I52-F70 HydrophobicContact CD1-CE1 4.31Å; I52-F70 HydrophobicContact CG1-CB 4.29Å; I52-F70 HydrophobicContact CG1-CD1 4.02Å; I52-F70 HydrophobicContact CG1-CG 4.17Å; I52-F91 HydrophobicContact CG2-CE1 3.72Å; I52-F91 HydrophobicContact CG2-CZ 3.63Å; I52-L177 HydrophobicContact CD1-CD2 3.92Å; I52-W180 HydrophobicContact CB-CG 4.4Å; I52-W180 HydrophobicContact CD1-CB 3.54Å; I52-W180 HydrophobicContact CD1-CD2 4.11Å; I52-W180 HydrophobicContact CD1-CG 3.58Å; I52-W180 HydrophobicContact CG1-CG 4.31Å
53H97.1Very high92.8Very high115 Ų11584 Ų8453%0.53243%0.427SS..EExtended strand (participates in β ladder)trans-91.2135.8176.5-176.1-92.4000110.9D51 D55 G68 S69D51-H53 PolarHBondContact O-N 3.43Å; H53-D55 IonicContact CE1-OD1 2.72Å; H53-D55 IonicContact CG-OD1 2.99Å; H53-D55 IonicContact ND1-OD1 2.7Å; H53-D55 PolarHBondContact ND1-OD1 2.81Å; H53-G68 CarbonylContact O-C 3.57Å; H53-G68 WeakPolarHBondContact O-CA 3.35Å; H53-S69 PolarHBondContact N-O 3.32Å; H53-S69 PolarHBondContact O-N 3.48Å
54I97.6Very high92.9Very high67 Ų6785.3 Ų85.334%0.34443%0.433SS..EExtended strand (participates in β ladder)trans-94102.2173-57.9-49.7000108.7I52 I66 W180I52-I54 HydrophobicContact CG2-CD1 4.5Å; I54-I66 HydrophobicContact CD1-CG2 3.72Å; I54-I66 HydrophobicContact CG2-CG2 3.88Å; I54-W180 HydrophobicContact CD1-CZ2 4.18Å
55D97.1Very high93Very high72 Ų7284.3 Ų84.339%0.38542%0.424SS..EExtended strand (participates in β ladder)trans-73.6-38.2-176.1-55.6-33.3000111.9H53 E67 S69H53-D55 IonicContact CE1-OD1 2.72Å; H53-D55 IonicContact CG-OD1 2.99Å; H53-D55 IonicContact ND1-OD1 2.7Å; H53-D55 PolarHBondContact ND1-OD1 2.81Å; D55-E67 PolarHBondContact N-O 3.12Å; D55-S69 PolarHBondContact OD1-OG 2.76Å; D55-S69 VanDerWaalsContact OD2-CB 3.29Å; D55-S69 WeakPolarHBondContact OD2-CB 3.48Å; D55-S69 PolarHBondContact OD2-N 3.28Å; D55-S69 PolarHBondContact OD2-OG 3.43Å; D55-S69 VanDerWaalsContact OD2-OG 3.06Å
56K97.7Very high93.3Very high114 Ų11480.5 Ų80.550%0.49640%0.396SS..EExtended strand (participates in β ladder)trans-154.3140.7-175.9-173.2175.9179.5177.10111T58 I66 E67K56-T58 HydrophobicContact CG-CG2 4.35Å; K56-I66 CarbonylContact O-C 3.21Å; K56-I66 WeakPolarHBondContact O-CA 3.18Å; K56-E67 HydrophobicContact CB-CB 4.26Å; K56-E67 PolarHBondContact N-O 3.07Å; K56-E67 VanDerWaalsContact N-O 3.15Å; K56-E67 PolarHBondContact O-N 3.35Å
57K97.5Very high93.6Very high119 Ų11980.8 Ų80.852%0.51739%0.394SS..EExtended strand (participates in β ladder)trans-130128.8171.5-174.1-179.1178.8-1540109.9E59 I64 Q65 I66K57-E59 WeakPolarHBondContact CE-OE1 3.39Å; K57-E59 IonicContact NZ-OE1 3.43Å; K57-E59 PolarHBondContact NZ-OE1 3.14Å; K57-I64 HydrophobicContact CD-CG2 4.45Å; K57-I64 VanDerWaalsContact CE-CG2 3.5Å; K57-I64 HydrophobicContact CG-CG2 4.14Å; K57-Q65 CarbonylContact C-O 3.33Å; K57-Q65 WeakPolarHBondContact CA-O 3.41Å; K57-I66 HydrophobicContact CG-CG1 4.13Å
58T97Very high94.3Very high58 Ų5875.5 Ų75.536%0.35637%0.366SS..EExtended strand (participates in β ladder)trans-133.5139.3175.6530000109.8K56 Q65K56-T58 HydrophobicContact CG-CG2 4.35Å; T58-Q65 PolarHBondContact N-O 2.86Å; T58-Q65 PolarHBondContact O-N 3.39Å
59E95.7Very high95.1Very high102 Ų10275.6 Ų75.648%0.47737%0.368SS..EExtended strand (participates in β ladder)trans-122.7136-178.9-57.3-168.7-177.500110.2K57 I64K57-E59 WeakPolarHBondContact CE-OE1 3.39Å; K57-E59 IonicContact NZ-OE1 3.43Å; K57-E59 PolarHBondContact NZ-OE1 3.14Å; E59-I64 HydrophobicContact CG-CB 4.34Å; E59-I64 HydrophobicContact CG-CG1 3.98Å; E59-I64 HydrophobicContact CG-CG2 4.07Å
60D91.9Very high95.9Very high79 Ų7966.2 Ų66.242%0.42233%0.333SS..  trans-113.4-166.6170.571.644.9000111.2S62 T63 R97D60-S62 PolarHBondContact O-N 2.91Å; D60-S62 WeakPolarHBondContact OD1-CA 3.5Å; D60-S62 PolarHBondContact OD1-N 2.86Å; D60-S62 PolarHBondContact OD1-OG 3.06Å; D60-T63 PolarHBondContact N-O 3.29Å; D60-T63 PolarHBondContact OD1-N 3.1Å; D60-T63 PolarHBondContact OD2-OG1 2.93Å; D60-R97 WeakPolarHBondContact O-CD 3.11Å; D60-R97 PolarHBondContact O-NH1 3.43Å
61K90.7Very high96.3Very high203 Ų20369.2 Ų69.288%0.88335%0.347SS*.SBendtrans-66.3-22.7-179.5-67.6-175179.8-179.10113.5
62S91.6Very high96.5Very high69 Ų6961.9 Ų61.948%0.48331%0.307SS..SBendtrans-122.6-31.6-169.552.90000114.4D60 R97D60-S62 PolarHBondContact O-N 2.91Å; D60-S62 WeakPolarHBondContact OD1-CA 3.5Å; D60-S62 PolarHBondContact OD1-N 2.86Å; D60-S62 PolarHBondContact OD1-OG 3.06Å; S62-R97 PolarHBondContact O-N 3.29Å
63T96.1Very high96.5Very high18 Ų1861.2 Ų61.211%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-131.8154.6-170.474.70000113.3D60 I94 I95 I130D60-T63 PolarHBondContact N-O 3.29Å; D60-T63 PolarHBondContact OD1-N 3.1Å; D60-T63 PolarHBondContact OD2-OG1 2.93Å; T63-I94 HydrophobicContact CG2-CG2 4.3Å; T63-I95 CarbonylContact C-O 3.5Å; T63-I95 VanDerWaalsContact CA-O 3.23Å; T63-I95 WeakPolarHBondContact CA-O 3.48Å; T63-I130 HydrophobicContact CG2-CG1 4.03Å; T63-I130 HydrophobicContact CG2-CG2 3.97Å
64I97.5Very high96.4Very high32 Ų3255.8 Ų55.816%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-109.1121.1163.9-54.7177.5000105.8K57 E59 I66 I95 R97K57-I64 HydrophobicContact CD-CG2 4.45Å; K57-I64 VanDerWaalsContact CE-CG2 3.5Å; K57-I64 HydrophobicContact CG-CG2 4.14Å; E59-I64 HydrophobicContact CG-CB 4.34Å; E59-I64 HydrophobicContact CG-CG1 3.98Å; E59-I64 HydrophobicContact CG-CG2 4.07Å; I64-I66 HydrophobicContact CG2-CD1 4.46Å; I64-I66 HydrophobicContact CG2-CG1 4.15Å; I64-I95 HydrophobicContact CB-CB 4.23Å; I64-I95 PolarHBondContact N-O 2.8Å; I64-I95 PolarHBondContact O-N 2.86Å; I64-R97 HydrophobicContact CD1-CG 4.38Å; I64-R97 HydrophobicContact CG1-CG 3.71Å
65Q97.7Very high96.2Very high33 Ų3353.6 Ų53.615%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-104.1128.9172.1174.4-178.9-55.800109.2K57 T58 E67 Q92 M93 I94K57-Q65 CarbonylContact C-O 3.33Å; K57-Q65 WeakPolarHBondContact CA-O 3.41Å; T58-Q65 PolarHBondContact N-O 2.86Å; T58-Q65 PolarHBondContact O-N 3.39Å; Q65-E67 PolarHBondContact NE2-OE1 3.32Å; Q65-Q92 HydrophobicContact CG-CG 4.02Å; Q65-M93 CarbonylContact C-O 3.49Å; Q65-M93 WeakPolarHBondContact CA-O 3.47Å; Q65-I94 HydrophobicContact CB-CD1 3.95Å; Q65-I94 HydrophobicContact CG-CD1 3.67Å
66I97.8Very high96Very high17 Ų1754.9 Ų54.99%0.08728%0.283CS..EExtended strand (participates in β ladder)trans-119.4135.3176-67176.1000107.9I54 K56 K57 I64 Q92 M93 I95I54-I66 HydrophobicContact CD1-CG2 3.72Å; I54-I66 HydrophobicContact CG2-CG2 3.88Å; K56-I66 CarbonylContact O-C 3.21Å; K56-I66 WeakPolarHBondContact O-CA 3.18Å; K57-I66 HydrophobicContact CG-CG1 4.13Å; I64-I66 HydrophobicContact CG2-CD1 4.46Å; I64-I66 HydrophobicContact CG2-CG1 4.15Å; I66-Q92 CarbonylContact O-C 3.46Å; I66-Q92 VanDerWaalsContact O-CA 3.27Å; I66-Q92 WeakPolarHBondContact O-CA 3.49Å; I66-M93 HydrophobicContact CB-CB 4.21Å; I66-M93 PolarHBondContact N-O 3.37Å; I66-M93 PolarHBondContact O-N 3.2Å; I66-I95 HydrophobicContact CD1-CD1 3.77Å
67E98.3Very high95.8Very high52 Ų5252.1 Ų52.124%0.24328%0.276CS..EExtended strand (participates in β ladder)trans-109.3133.1161.4-66.7179.2-15200107.6D55 K56 Q65 F91 Q92D55-E67 PolarHBondContact N-O 3.12Å; K56-E67 HydrophobicContact CB-CB 4.26Å; K56-E67 PolarHBondContact N-O 3.07Å; K56-E67 VanDerWaalsContact N-O 3.15Å; K56-E67 PolarHBondContact O-N 3.35Å; Q65-E67 PolarHBondContact NE2-OE1 3.32Å; E67-F91 WeakPolarHBondContact CA-O 3.31Å; E67-Q92 HydrophobicContact CG-CB 4.47Å; E67-Q92 HydrophobicContact CG-CG 4.28Å
68G98.3Very high95.5Very high1 Ų146.7 Ų46.71%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-140.9160.6-179.300000112.3H53 F91H53-G68 CarbonylContact O-C 3.57Å; H53-G68 WeakPolarHBondContact O-CA 3.35Å; G68-F91 VanDerWaalsContact C-CE1 3.43Å; G68-F91 PolarHBondContact N-O 3.29Å; G68-F91 VanDerWaalsContact O-CD1 3.29Å; G68-F91 WeakPolarHBondContact O-CD1 3.5Å; G68-F91 PolarHBondContact O-N 3.05Å
69S98.4Very high95.1Very high17 Ų1747.9 Ų47.912%0.11926%0.263CS..EExtended strand (participates in β ladder)trans-146157.4-178.465.10000111.9H53 D55 A89H53-S69 PolarHBondContact N-O 3.32Å; H53-S69 PolarHBondContact O-N 3.48Å; D55-S69 PolarHBondContact OD1-OG 2.76Å; D55-S69 VanDerWaalsContact OD2-CB 3.29Å; D55-S69 WeakPolarHBondContact OD2-CB 3.48Å; D55-S69 PolarHBondContact OD2-N 3.28Å; D55-S69 PolarHBondContact OD2-OG 3.43Å; D55-S69 VanDerWaalsContact OD2-OG 3.06Å; S69-A89 WeakPolarHBondContact CA-O 3.37Å; S69-A89 WeakPolarHBondContact CB-O 3.27Å
70F98.1Very high94.8Very high7 Ų749.3 Ų49.33%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-159160.7173.856.3-79.6000109.6T50 D51 I52 S72 I88 A89 F91 E173 A176 L177T50-F70 HydrophobicContact CG2-CD2 3.84Å; T50-F70 HydrophobicContact CG2-CE2 4.31Å; D51-F70 WeakPolarHBondContact O-CB 3.36Å; I52-F70 HydrophobicContact CD1-CD1 4.2Å; I52-F70 HydrophobicContact CD1-CE1 4.31Å; I52-F70 HydrophobicContact CG1-CB 4.29Å; I52-F70 HydrophobicContact CG1-CD1 4.02Å; I52-F70 HydrophobicContact CG1-CG 4.17Å; F70-S72 PolarHBondContact O-N 3Å; F70-I88 CarbonylContact O-C 3.54Å; F70-A89 HydrophobicContact CD1-CB 4.06Å; F70-A89 HydrophobicContact CD2-CB 3.93Å; F70-A89 HydrophobicContact CE1-CB 3.76Å; F70-A89 HydrophobicContact CE2-CB 3.63Å; F70-A89 HydrophobicContact CG-CB 4.13Å; F70-A89 HydrophobicContact CZ-CB 3.54Å; F70-A89 PolarHBondContact N-O 3.08Å; F70-A89 WeakPolarHBondContact O-CB 3.23Å; F70-A89 PolarHBondContact O-N 3.41Å; F70-F91 HydrophobicContact CD1-CD1 4.29Å; F70-F91 HydrophobicContact CD1-CE1 4.09Å; F70-F91 AromaticContact CE1-CD1 3.99Å; F70-F91 HydrophobicContact CE1-CD1 3.99Å; F70-F91 HydrophobicContact CE1-CE1 4.12Å; F70-E173 HydrophobicContact CE2-CB 4.34Å; F70-E173 HydrophobicContact CE2-CG 4.07Å; F70-E173 HydrophobicContact CZ-CB 4.05Å; F70-E173 HydrophobicContact CZ-CG 4.15Å; F70-A176 HydrophobicContact CE2-CB 4.03Å; F70-A176 HydrophobicContact CZ-CB 4.36Å; F70-L177 HydrophobicContact CE1-CD1 4.38Å; F70-L177 HydrophobicContact CE1-CD2 3.98Å; F70-L177 HydrophobicContact CE1-CG 4.03Å; F70-L177 HydrophobicContact CZ-CD1 4.4Å; F70-L177 HydrophobicContact CZ-CG 4.08Å
71I97.1Very high94.9Very high97 Ų9746 Ų4650%0.49726%0.258SS..EExtended strand (participates in β ladder)trans-70.9125.4171.6-58.4-56.7000108.6D75 I88I71-D75 HydrophobicContact CG2-CB 4.44Å; I71-I88 HydrophobicContact CD1-CG1 4.26Å
72S97.2Very high95.1Very high1 Ų136.5 Ų36.51%0.00722%0.217CC..  trans-58.9125.3178.2-1740000109.7F70 F74 D75 R87 E173F70-S72 PolarHBondContact O-N 3Å; S72-F74 PolarHBondContact O-N 2.92Å; S72-D75 WeakPolarHBondContact O-CB 3.21Å; S72-D75 PolarHBondContact O-N 3.04Å; S72-R87 WeakPolarHBondContact CB-O 3.36Å; S72-R87 PolarHBondContact N-O 3.46Å; S72-E173 WeakPolarHBondContact CB-OE1 3.48Å; S72-E173 WeakPolarHBondContact OG-CG 3.48Å; S72-E173 PolarHBondContact OG-OE1 3.03Å
73P95.8Very high95.2Very high13 Ų1340.9 Ų40.98%0.08423%0.227CC..G310 helixtrans-56-29.1178.5-21.227000113I48 T50 D75 S76 M172I48-P73 HydrophobicContact CG2-CB 3.91Å; I48-P73 HydrophobicContact CG2-CG 3.53Å; T50-P73 HydrophobicContact CG2-CB 4.48Å; T50-P73 HydrophobicContact CG2-CG 3.49Å; T50-P73 VanDerWaalsContact CG2-CG 3.49Å; P73-D75 PolarHBondContact O-N 3.3Å; P73-S76 PolarHBondContact O-N 3.37Å; P73-S76 VanDerWaalsContact O-N 3.12Å; P73-S76 PolarHBondContact O-OG 2.9Å; P73-M172 HydrophobicContact CB-CB 3.95Å; P73-M172 HydrophobicContact CB-CE 3.66Å; P73-M172 HydrophobicContact CB-SD 4.11Å; P73-M172 HydrophobicContact CG-CB 4Å
74F95.5Very high95.1Very high0 Ų042.8 Ų42.80%025%0.25CC..G310 helixtrans-63.1-24.4-178.7-170.2-96.6000113.2L30 S72 S76 V77 I78 A81 L82 I165 G168 A169 M172L30-F74 HydrophobicContact CD2-CZ 4.01Å; S72-F74 PolarHBondContact O-N 2.92Å; F74-S76 PolarHBondContact O-N 3.08Å; F74-V77 HydrophobicContact CD2-CB 4.38Å; F74-V77 WeakPolarHBondContact O-CB 3.45Å; F74-V77 PolarHBondContact O-N 3.14Å; F74-I78 HydrophobicContact CE1-CB 4.43Å; F74-I78 HydrophobicContact CE1-CD1 4.48Å; F74-I78 HydrophobicContact CE2-CD1 4.5Å; F74-I78 HydrophobicContact CZ-CB 4.5Å; F74-I78 HydrophobicContact CZ-CD1 3.81Å; F74-I78 HydrophobicContact CZ-CG1 4.14Å; F74-I78 PolarHBondContact O-N 3.23Å; F74-A81 HydrophobicContact CE1-CB 3.96Å; F74-L82 HydrophobicContact CB-CD1 4.44Å; F74-L82 HydrophobicContact CD1-CD1 4.22Å; F74-L82 HydrophobicContact CD1-CG 4.32Å; F74-I165 HydrophobicContact CD1-CG2 4.49Å; F74-I165 HydrophobicContact CE1-CB 4.43Å; F74-I165 HydrophobicContact CE1-CG1 4.49Å; F74-I165 HydrophobicContact CE1-CG2 3.96Å; F74-G168 VanDerWaalsContact CD2-C 3.44Å; F74-A169 HydrophobicContact CB-CB 3.91Å; F74-A169 HydrophobicContact CD1-CB 4.12Å; F74-A169 HydrophobicContact CG-CB 4Å; F74-M172 VanDerWaalsContact CA-SD 3.59Å; F74-M172 HydrophobicContact CB-SD 3.89Å; F74-M172 HydrophobicContact CD2-SD 3.9Å; F74-M172 HydrophobicContact CG-SD 4.41Å
75D93.8Very high95Very high21 Ų2145.2 Ų45.211%0.11226%0.263CS..G310 helixtrans-59.7-29.2175.3-172.862.3000112.9I71 S72 P73 R87I71-D75 HydrophobicContact CG2-CB 4.44Å; S72-D75 WeakPolarHBondContact O-CB 3.21Å; S72-D75 PolarHBondContact O-N 3.04Å; P73-D75 PolarHBondContact O-N 3.3Å; D75-R87 WeakPolarHBondContact OD1-CD 3.4Å; D75-R87 WeakPolarHBondContact OD1-CG 3.17Å; D75-R87 IonicContact OD1-CZ 3.38Å; D75-R87 IonicContact OD1-NE 3.21Å; D75-R87 PolarHBondContact OD1-NE 2.99Å; D75-R87 IonicContact OD1-NH2 3.48Å; D75-R87 IonicContact OD2-CZ 3.6Å; D75-R87 IonicContact OD2-NE 2.67Å; D75-R87 PolarHBondContact OD2-NE 3.48Å; D75-R87 IonicContact OD2-NH2 3.29Å; D75-R87 PolarHBondContact OD2-NH2 2.85Å
76S92.6Very high94.9Very high100 Ų10044 Ų4470%0.69926%0.258SS*.G310 helixtrans-82.9-16.4174.4700000113.9P73 F74P73-S76 PolarHBondContact O-N 3.37Å; P73-S76 VanDerWaalsContact O-N 3.12Å; P73-S76 PolarHBondContact O-OG 2.9Å; F74-S76 PolarHBondContact O-N 3.08Å
77V92.6Very high94.9Very high56 Ų5648.3 Ų48.334%0.33927%0.273SS..THydrogen-bonded Turntrans-84.6-49.9-176.4-179.10000110.8N33 F74 M172N33-V77 HydrophobicContact CB-CG1 4.33Å; N33-V77 VanDerWaalsContact OD1-CG1 3.31Å; N33-V77 WeakPolarHBondContact OD1-CG1 3.27Å; F74-V77 HydrophobicContact CD2-CB 4.38Å; F74-V77 WeakPolarHBondContact O-CB 3.45Å; F74-V77 PolarHBondContact O-N 3.14Å; V77-M172 HydrophobicContact CG2-CE 3.68Å; V77-M172 HydrophobicContact CG2-SD 3.63Å
78I92.7Very high94.9Very high5 Ų547.9 Ų47.93%0.02627%0.272CS..SBendtrans-12596.6176.9-53.2-175.1000107.9K29 L30 F74 N80 A81K29-I78 HydrophobicContact CB-CD1 3.97Å; K29-I78 HydrophobicContact CB-CG1 4.23Å; K29-I78 HydrophobicContact CB-CG2 4Å; K29-I78 HydrophobicContact CD-CG2 3.92Å; L30-I78 HydrophobicContact CB-CD1 4.4Å; L30-I78 HydrophobicContact CD2-CD1 3.62Å; L30-I78 HydrophobicContact CG-CD1 3.77Å; F74-I78 HydrophobicContact CE1-CB 4.43Å; F74-I78 HydrophobicContact CE1-CD1 4.48Å; F74-I78 HydrophobicContact CE2-CD1 4.5Å; F74-I78 HydrophobicContact CZ-CB 4.5Å; F74-I78 HydrophobicContact CZ-CD1 3.81Å; F74-I78 HydrophobicContact CZ-CG1 4.14Å; F74-I78 PolarHBondContact O-N 3.23Å; I78-N80 PolarHBondContact O-N 3.45Å; I78-A81 HydrophobicContact CB-CB 3.88Å; I78-A81 HydrophobicContact CG2-CB 3.82Å; I78-A81 VanDerWaalsContact O-CB 3.24Å; I78-A81 WeakPolarHBondContact O-CB 3.17Å; I78-A81 PolarHBondContact O-N 2.68Å; I78-A81 VanDerWaalsContact O-N 3.08Å
79S88.1Confident94.9Very high83 Ų8347.9 Ų47.958%0.5827%0.272SS*.THydrogen-bonded Turntrans-53.5132.7-179.6-49.40000111A81S79-A81 PolarHBondContact O-N 3.07Å
80N88.4Confident94.9Very high131 Ų13148.6 Ų48.670%0.70127%0.272SS*.THydrogen-bonded Turntrans67.18.2-179-55.8-39.2000116.5I78I78-N80 PolarHBondContact O-N 3.45Å
81A94Very high94.9Very high11 Ų1148.3 Ų48.39%0.09127%0.27CS..SBendtrans-67-39.4171.900000112.1F74 I78 S79 I165F74-A81 HydrophobicContact CE1-CB 3.96Å; I78-A81 HydrophobicContact CB-CB 3.88Å; I78-A81 HydrophobicContact CG2-CB 3.82Å; I78-A81 VanDerWaalsContact O-CB 3.24Å; I78-A81 WeakPolarHBondContact O-CB 3.17Å; I78-A81 PolarHBondContact O-N 2.68Å; I78-A81 VanDerWaalsContact O-N 3.08Å; S79-A81 PolarHBondContact O-N 3.07Å; A81-I165 HydrophobicContact CB-CD1 4Å; A81-I165 HydrophobicContact CB-CG1 4.12Å; A81-I165 HydrophobicContact CB-CG2 4.24Å
82L95.7Very high94.9Very high2 Ų243.8 Ų43.81%0.0125%0.247CC..SBendtrans-101.5123170.9-61.6174.1000108.4F74 R87 P142 I165 A169F74-L82 HydrophobicContact CB-CD1 4.44Å; F74-L82 HydrophobicContact CD1-CD1 4.22Å; F74-L82 HydrophobicContact CD1-CG 4.32Å; L82-R87 HydrophobicContact CB-CB 4.41Å; L82-R87 HydrophobicContact CB-CG 3.77Å; L82-R87 WeakPolarHBondContact O-CD 3.38Å; L82-R87 WeakPolarHBondContact O-CG 3.23Å; L82-P142 HydrophobicContact CD2-CB 4.17Å; L82-I165 HydrophobicContact CD2-CG2 3.63Å; L82-I165 HydrophobicContact CG-CG2 4.28Å; L82-A169 HydrophobicContact CD1-CB 4.2Å
83K93.2Very high95Very high162 Ų16243.7 Ų43.770%0.70425%0.247SC*.  trans-107.6145.5-178.8-62.2-179.6-176.1174.60111.5D85 N86K83-D85 PolarHBondContact O-N 3.12Å; K83-N86 WeakPolarHBondContact O-CB 3.49Å; K83-N86 PolarHBondContact O-N 3.29Å
84G94.3Very high95.1Very high57 Ų5743.3 Ų43.359%0.58824%0.244SC*.G310 helixtrans50.9-131.4175.500000113N86 R87G84-N86 PolarHBondContact O-N 3.17Å; G84-N86 VanDerWaalsContact O-N 3.15Å; G84-R87 WeakPolarHBondContact O-CB 3.49Å; G84-R87 WeakPolarHBondContact O-CG 3.31Å; G84-R87 PolarHBondContact O-N 3.42Å; G84-R87 VanDerWaalsContact O-N 3.17Å
85D95.1Very high95.2Very high83 Ų8343.7 Ų43.744%0.44425%0.246SC..G310 helixtrans-62.4-17.8178.9-95.237.3000114.3K83 R87 I88 R90 K146K83-D85 PolarHBondContact O-N 3.12Å; D85-R87 PolarHBondContact O-N 3.29Å; D85-I88 PolarHBondContact O-N 2.94Å; D85-I88 VanDerWaalsContact O-N 3.1Å; D85-R90 IonicContact OD2-CZ 2.89Å; D85-R90 IonicContact OD2-NH2 3.58Å; D85-R90 PolarHBondContact OD2-NH2 3.17Å; D85-K146 VanDerWaalsContact CB-O 3.3Å; D85-K146 WeakPolarHBondContact CB-O 3.31Å
86N96.5Very high95.3Very high7 Ų742.9 Ų42.94%0.03724%0.242CC..G310 helixtrans-64.4-24.3176.6-160.79.9000112.1K83 G84 I88 P142 F143 R147K83-N86 WeakPolarHBondContact O-CB 3.49Å; K83-N86 PolarHBondContact O-N 3.29Å; G84-N86 PolarHBondContact O-N 3.17Å; G84-N86 VanDerWaalsContact O-N 3.15Å; N86-I88 PolarHBondContact O-N 3.25Å; N86-P142 VanDerWaalsContact OD1-CA 3.22Å; N86-P142 WeakPolarHBondContact OD1-CA 3.48Å; N86-P142 WeakPolarHBondContact OD1-CB 3.3Å; N86-F143 WeakPolarHBondContact ND2-CE1 3.42Å; N86-F143 PolarHBondContact OD1-N 3.31Å; N86-F143 VanDerWaalsContact OD1-N 3.08Å; N86-R147 HydrophobicContact CB-CB 4.47Å; N86-R147 WeakPolarHBondContact CB-O 3.27Å; N86-R147 VanDerWaalsContact CG-O 3.26Å; N86-R147 PolarHBondContact O-NE 2.73Å; N86-R147 VanDerWaalsContact O-NE 3.13Å; N86-R147 PolarHBondContact O-NH2 2.88Å; N86-R147 PolarHBondContact OD1-NE 3.05Å; N86-R147 PolarHBondContact OD1-O 2.73Å
87R97Very high95.4Very high109 Ų10944.2 Ų44.241%0.41123%0.232SC..G310 helixtrans-67.5-22.6175.4-60.4173.666.6-159.4-1.4112.9S72 D75 L82 G84 D85 A89S72-R87 WeakPolarHBondContact CB-O 3.36Å; S72-R87 PolarHBondContact N-O 3.46Å; D75-R87 WeakPolarHBondContact OD1-CD 3.4Å; D75-R87 WeakPolarHBondContact OD1-CG 3.17Å; D75-R87 IonicContact OD1-CZ 3.38Å; D75-R87 IonicContact OD1-NE 3.21Å; D75-R87 PolarHBondContact OD1-NE 2.99Å; D75-R87 IonicContact OD1-NH2 3.48Å; D75-R87 IonicContact OD2-CZ 3.6Å; D75-R87 IonicContact OD2-NE 2.67Å; D75-R87 PolarHBondContact OD2-NE 3.48Å; D75-R87 IonicContact OD2-NH2 3.29Å; D75-R87 PolarHBondContact OD2-NH2 2.85Å; L82-R87 HydrophobicContact CB-CB 4.41Å; L82-R87 HydrophobicContact CB-CG 3.77Å; L82-R87 WeakPolarHBondContact O-CD 3.38Å; L82-R87 WeakPolarHBondContact O-CG 3.23Å; G84-R87 WeakPolarHBondContact O-CB 3.49Å; G84-R87 WeakPolarHBondContact O-CG 3.31Å; G84-R87 PolarHBondContact O-N 3.42Å; G84-R87 VanDerWaalsContact O-N 3.17Å; D85-R87 PolarHBondContact O-N 3.29Å; R87-A89 PolarHBondContact O-N 3.13Å
88I97.7Very high95.5Very high43 Ų4350.5 Ų50.522%0.22125%0.254CS..EExtended strand (participates in β ladder)trans-89.2107.3-178.4-54.8172.9000107.8F70 I71 D85 N86 R90 R147F70-I88 CarbonylContact O-C 3.54Å; I71-I88 HydrophobicContact CD1-CG1 4.26Å; D85-I88 PolarHBondContact O-N 2.94Å; D85-I88 VanDerWaalsContact O-N 3.1Å; N86-I88 PolarHBondContact O-N 3.25Å; I88-R90 HydrophobicContact CG2-CG 4.02Å; I88-R147 WeakPolarHBondContact O-CD 3.37Å; I88-R147 PolarHBondContact O-NE 3.06Å
89A98.4Very high95.6Very high0 Ų053.3 Ų53.30%027%0.265CS..EExtended strand (participates in β ladder)trans-66.9134.3167.600000108.9S69 F70 R87 E173S69-A89 WeakPolarHBondContact CA-O 3.37Å; S69-A89 WeakPolarHBondContact CB-O 3.27Å; F70-A89 HydrophobicContact CD1-CB 4.06Å; F70-A89 HydrophobicContact CD2-CB 3.93Å; F70-A89 HydrophobicContact CE1-CB 3.76Å; F70-A89 HydrophobicContact CE2-CB 3.63Å; F70-A89 HydrophobicContact CG-CB 4.13Å; F70-A89 HydrophobicContact CZ-CB 3.54Å; F70-A89 PolarHBondContact N-O 3.08Å; F70-A89 WeakPolarHBondContact O-CB 3.23Å; F70-A89 PolarHBondContact O-N 3.41Å; R87-A89 PolarHBondContact O-N 3.13Å; A89-E173 HydrophobicContact CB-CG 3.72Å
90R98.5Very high95.7Very high33 Ų3353.5 Ų53.513%0.12527%0.266CS..EExtended strand (participates in β ladder)trans-132.5136.9-175.3-57.4177.5-178.9-82.18.7109.9D85 I88 Y118 M140D85-R90 IonicContact OD2-CZ 2.89Å; D85-R90 IonicContact OD2-NH2 3.58Å; D85-R90 PolarHBondContact OD2-NH2 3.17Å; I88-R90 HydrophobicContact CG2-CG 4.02Å; R90-Y118 VanDerWaalsContact CB-OH 3.28Å; R90-Y118 WeakPolarHBondContact CB-OH 3.36Å; R90-M140 HydrophobicContact CB-CB 4.23Å; R90-M140 HydrophobicContact CB-SD 4.4Å; R90-M140 WeakPolarHBondContact O-CB 3.37Å; R90-M140 PolarHBondContact O-N 2.86Å
91F98.6Very high95.8Very high0 Ų048.1 Ų48.10%024%0.238CC..EExtended strand (participates in β ladder)trans-143.2160.7177.968.3-84000112.3I52 E67 G68 F70 M93 Y118 I137 I138 L139 L177I52-F91 HydrophobicContact CG2-CE1 3.72Å; I52-F91 HydrophobicContact CG2-CZ 3.63Å; E67-F91 WeakPolarHBondContact CA-O 3.31Å; G68-F91 VanDerWaalsContact C-CE1 3.43Å; G68-F91 PolarHBondContact N-O 3.29Å; G68-F91 VanDerWaalsContact O-CD1 3.29Å; G68-F91 WeakPolarHBondContact O-CD1 3.5Å; G68-F91 PolarHBondContact O-N 3.05Å; F70-F91 HydrophobicContact CD1-CD1 4.29Å; F70-F91 HydrophobicContact CD1-CE1 4.09Å; F70-F91 AromaticContact CE1-CD1 3.99Å; F70-F91 HydrophobicContact CE1-CD1 3.99Å; F70-F91 HydrophobicContact CE1-CE1 4.12Å; F91-M93 HydrophobicContact CD2-CB 4.44Å; F91-M93 HydrophobicContact CE2-CB 4.38Å; F91-Y118 PolarHBondContact N-OH 2.95Å; F91-I137 HydrophobicContact CB-CG2 4.06Å; F91-I137 HydrophobicContact CD2-CG2 4.1Å; F91-I137 HydrophobicContact CG-CG2 4.35Å; F91-I138 VanDerWaalsContact CA-O 3.3Å; F91-I138 WeakPolarHBondContact CA-O 3.5Å; F91-L139 HydrophobicContact CB-CD1 4.4Å; F91-L177 HydrophobicContact CD1-CD2 3.76Å; F91-L177 HydrophobicContact CD2-CD2 4.26Å; F91-L177 HydrophobicContact CE1-CD2 3.79Å; F91-L177 HydrophobicContact CE2-CD2 4.28Å; F91-L177 HydrophobicContact CG-CD2 4Å; F91-L177 HydrophobicContact CZ-CD2 4.06Å
92Q98.3Very high95.7Very high2 Ų255.2 Ų55.21%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-122.2127.1167.7-178.8178.97200109.5Q65 I66 E67 I94 Y118 I137 I138Q65-Q92 HydrophobicContact CG-CG 4.02Å; I66-Q92 CarbonylContact O-C 3.46Å; I66-Q92 VanDerWaalsContact O-CA 3.27Å; I66-Q92 WeakPolarHBondContact O-CA 3.49Å; E67-Q92 HydrophobicContact CG-CB 4.47Å; E67-Q92 HydrophobicContact CG-CG 4.28Å; Q92-I94 HydrophobicContact CG-CD1 3.87Å; Q92-Y118 HydrophobicContact CB-CD1 4.13Å; Q92-Y118 HydrophobicContact CB-CD2 3.72Å; Q92-Y118 HydrophobicContact CB-CE1 4.35Å; Q92-Y118 HydrophobicContact CB-CE2 3.96Å; Q92-Y118 HydrophobicContact CB-CG 3.8Å; Q92-Y118 HydrophobicContact CG-CD2 4.47Å; Q92-I137 CarbonylContact O-C 3.56Å; Q92-I138 PolarHBondContact N-O 3.32Å; Q92-I138 PolarHBondContact O-N 3.47Å
93M98.3Very high95.8Very high0 Ų056.4 Ų56.40%028%0.279CS..EExtended strand (participates in β ladder)trans-106130.4174.9-169.4179.5-170.900110.4Q65 I66 F91 I95 V106 S136 I137 W180 Y186Q65-M93 CarbonylContact C-O 3.49Å; Q65-M93 WeakPolarHBondContact CA-O 3.47Å; I66-M93 HydrophobicContact CB-CB 4.21Å; I66-M93 PolarHBondContact N-O 3.37Å; I66-M93 PolarHBondContact O-N 3.2Å; F91-M93 HydrophobicContact CD2-CB 4.44Å; F91-M93 HydrophobicContact CE2-CB 4.38Å; M93-I95 HydrophobicContact CE-CD1 4Å; M93-I95 HydrophobicContact CE-CG1 3.95Å; M93-I95 HydrophobicContact CG-CD1 4.02Å; M93-I95 HydrophobicContact CG-CG1 3.68Å; M93-I95 HydrophobicContact SD-CD1 3.71Å; M93-I95 HydrophobicContact SD-CG1 3.95Å; M93-V106 HydrophobicContact CE-CG2 3.91Å; M93-S136 CarbonylContact C-O 3.18Å; M93-S136 VanDerWaalsContact CA-O 3.23Å; M93-S136 WeakPolarHBondContact CA-O 3.2Å; M93-I137 HydrophobicContact CB-CG1 4.06Å; M93-I137 HydrophobicContact CE-CD1 4.41Å; M93-I137 HydrophobicContact CE-CG1 4.34Å; M93-I137 HydrophobicContact CG-CD1 4.49Å; M93-I137 HydrophobicContact CG-CG1 3.69Å; M93-I137 HydrophobicContact SD-CD1 4.3Å; M93-I137 HydrophobicContact SD-CG1 4.12Å; M93-W180 HydrophobicContact SD-CH2 4.06Å; M93-W180 HydrophobicContact SD-CZ3 3.83Å; M93-Y186 HydrophobicContact CE-CD1 3.91Å; M93-Y186 HydrophobicContact CE-CD2 4.48Å; M93-Y186 HydrophobicContact CE-CE1 3.44Å; M93-Y186 VanDerWaalsContact CE-CE1 3.44Å; M93-Y186 HydrophobicContact CE-CE2 4.11Å; M93-Y186 HydrophobicContact CE-CG 4.4Å
94I98.2Very high96Very high4 Ų452.7 Ų52.72%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-115.3118.6176.1-47.4-62.5000107.8T63 Q65 Q92 R122 A126 I130 A135 S136 I138T63-I94 HydrophobicContact CG2-CG2 4.3Å; Q65-I94 HydrophobicContact CB-CD1 3.95Å; Q65-I94 HydrophobicContact CG-CD1 3.67Å; Q92-I94 HydrophobicContact CG-CD1 3.87Å; I94-R122 HydrophobicContact CD1-CG 4.16Å; I94-R122 HydrophobicContact CG1-CG 4.22Å; I94-A126 HydrophobicContact CB-CB 4.4Å; I94-A126 HydrophobicContact CG1-CB 4.18Å; I94-I130 HydrophobicContact CG2-CD1 4.01Å; I94-I130 HydrophobicContact CG2-CG1 4.01Å; I94-A135 CarbonylContact O-C 3.58Å; I94-A135 VanDerWaalsContact O-CA 3.31Å; I94-A135 WeakPolarHBondContact O-CA 3.45Å; I94-A135 WeakPolarHBondContact O-CB 3.35Å; I94-S136 PolarHBondContact N-O 3.49Å; I94-S136 PolarHBondContact O-N 3.36Å; I94-I138 HydrophobicContact CG1-CD1 4.41Å
95I97.9Very high96.2Very high8 Ų850 Ų504%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-123.4138.1-169.7-48.5170.5000108.9T63 I64 I66 M93 W99 A135 Y186T63-I95 CarbonylContact C-O 3.5Å; T63-I95 VanDerWaalsContact CA-O 3.23Å; T63-I95 WeakPolarHBondContact CA-O 3.48Å; I64-I95 HydrophobicContact CB-CB 4.23Å; I64-I95 PolarHBondContact N-O 2.8Å; I64-I95 PolarHBondContact O-N 2.86Å; I66-I95 HydrophobicContact CD1-CD1 3.77Å; M93-I95 HydrophobicContact CE-CD1 4Å; M93-I95 HydrophobicContact CE-CG1 3.95Å; M93-I95 HydrophobicContact CG-CD1 4.02Å; M93-I95 HydrophobicContact CG-CG1 3.68Å; M93-I95 HydrophobicContact SD-CD1 3.71Å; M93-I95 HydrophobicContact SD-CG1 3.95Å; I95-W99 HydrophobicContact CG2-CH2 4.4Å; I95-W99 HydrophobicContact CG2-CZ2 3.71Å; I95-A135 HydrophobicContact CG2-CB 4.47Å; I95-Y186 WeakPolarHBondContact CD1-OH 3.4Å
96P96.1Very high96.3Very high5 Ų546 Ų463%0.03221%0.211CC..EExtended strand (participates in β ladder)trans-67.7136.6171.328.5-33.5000109.9K98 W99 I130P96-K98 PolarHBondContact O-N 2.91Å; P96-W99 HydrophobicContact CG-CD2 3.71Å; P96-W99 HydrophobicContact CG-CE3 3.59Å; P96-W99 HydrophobicContact CG-CG 4.4Å; P96-W99 HydrophobicContact CG-CH2 4.04Å; P96-W99 HydrophobicContact CG-CZ2 4.1Å; P96-W99 HydrophobicContact CG-CZ3 3.76Å; P96-I130 HydrophobicContact CB-CD1 4.31Å; P96-I130 HydrophobicContact CB-CG2 4.21Å; P96-I130 HydrophobicContact CG-CD1 4.5Å
97R94.7Very high96.4Very high128 Ų12845.7 Ų45.748%0.48321%0.209SC..SBendtrans-65.2-29.1173.7-80.7-172.568.9-1670.9113.1D60 S62 I64D60-R97 WeakPolarHBondContact O-CD 3.11Å; D60-R97 PolarHBondContact O-NH1 3.43Å; S62-R97 PolarHBondContact O-N 3.29Å; I64-R97 HydrophobicContact CD1-CG 4.38Å; I64-R97 HydrophobicContact CG1-CG 3.71Å
98K94Very high96.5Very high187 Ų18740.5 Ų40.581%0.81319%0.19SC*.SBendtrans-130.9121174.7-65.2-173.9179.3-174.90108.3P96P96-K98 PolarHBondContact O-N 2.91Å
99W95Very high96.6Very high65 Ų6538.4 Ų38.425%0.24618%0.179CC..  trans-71.7131.6174.8-6492.8000109.5I95 P96 T101 Y103 R104 G133 A135 Y186I95-W99 HydrophobicContact CG2-CH2 4.4Å; I95-W99 HydrophobicContact CG2-CZ2 3.71Å; P96-W99 HydrophobicContact CG-CD2 3.71Å; P96-W99 HydrophobicContact CG-CE3 3.59Å; P96-W99 HydrophobicContact CG-CG 4.4Å; P96-W99 HydrophobicContact CG-CH2 4.04Å; P96-W99 HydrophobicContact CG-CZ2 4.1Å; P96-W99 HydrophobicContact CG-CZ3 3.76Å; W99-T101 VanDerWaalsContact C-N 3.25Å; W99-Y103 VanDerWaalsContact CE3-O 3.32Å; W99-R104 HydrophobicContact CD2-CB 4.31Å; W99-R104 HydrophobicContact CD2-CG 3.92Å; W99-R104 HydrophobicContact CE3-CB 4.43Å; W99-R104 HydrophobicContact CE3-CG 4.46Å; W99-R104 HydrophobicContact CG-CG 4.24Å; W99-R104 VanDerWaalsContact CH2-C 3.49Å; W99-R104 HydrophobicContact CH2-CB 3.88Å; W99-R104 HydrophobicContact CH2-CG 4.45Å; W99-R104 HydrophobicContact CZ2-CB 3.76Å; W99-R104 HydrophobicContact CZ2-CG 3.94Å; W99-R104 VanDerWaalsContact CZ3-C 3.47Å; W99-R104 VanDerWaalsContact CZ3-CA 3.42Å; W99-R104 HydrophobicContact CZ3-CB 4.24Å; W99-G133 WeakPolarHBondContact CZ3-O 3.38Å; W99-A135 HydrophobicContact CH2-CB 3.56Å; W99-A135 HydrophobicContact CZ2-CB 4.4Å; W99-A135 HydrophobicContact CZ3-CB 4.23Å; W99-Y186 HydrophobicContact CH2-CD1 4.26Å; W99-Y186 HydrophobicContact CH2-CE1 4.32Å; W99-Y186 HydrophobicContact CZ2-CD1 4.15Å; W99-Y186 AromaticContact CZ2-CE1 3.88Å; W99-Y186 HydrophobicContact CZ2-CE1 3.88Å
100S90.3Very high96.6Very high86 Ų8638.6 Ų38.660%0.60118%0.18SC*.SBendtrans-84-3.6176.255.40000113G133S100-G133 WeakPolarHBondContact OG-CA 3.33Å
101T90.1Very high96.4Very high18 Ų1837 Ų3711%0.1117%0.174CC..SBendtrans-136.6165.9-176.8870000109.1W99 Y103 P525 F526W99-T101 VanDerWaalsContact C-N 3.25Å; T101-Y103 PolarHBondContact O-N 2.96Å; T101-Y103 WeakPolarHBondContact OG1-CB 3.25Å; T101-Y103 PolarHBondContact OG1-N 3.4Å; T101-Y103 PolarHBondContact OG1-O 3.01Å; T101-P525 HydrophobicContact CG2-CB 3.73Å; T101-P525 HydrophobicContact CG2-CG 3.92Å; T101-F526 HydrophobicContact CG2-CD1 4.14Å; T101-F526 HydrophobicContact CG2-CE1 4.17Å
102N92.7Very high96.2Very high161 Ų16137.5 Ų37.586%0.86118%0.179SC*.SBendtrans-71.8-9172.1-66.3-20000112.8
103Y96.4Very high95.9Very high27 Ų2739.8 Ų39.811%0.10619%0.193CC..  trans-95.4144.2177.8-61.6-83.2000111.4W99 T101 V516 H520 E522 P525 F526W99-Y103 VanDerWaalsContact CE3-O 3.32Å; T101-Y103 PolarHBondContact O-N 2.96Å; T101-Y103 WeakPolarHBondContact OG1-CB 3.25Å; T101-Y103 PolarHBondContact OG1-N 3.4Å; T101-Y103 PolarHBondContact OG1-O 3.01Å; Y103-V516 HydrophobicContact CD2-CG2 4.42Å; Y103-V516 HydrophobicContact CE1-CG2 4.31Å; Y103-V516 HydrophobicContact CE2-CG1 3.93Å; Y103-V516 HydrophobicContact CE2-CG2 4.14Å; Y103-H520 AromaticContact CE1-CG 3.99Å; Y103-H520 AromaticContact CE1-ND1 3.92Å; Y103-H520 VanDerWaalsContact OH-CB 3.23Å; Y103-H520 WeakPolarHBondContact OH-CB 3.44Å; Y103-E522 WeakPolarHBondContact CE2-OE2 3.43Å; Y103-E522 PolarHBondContact OH-OE2 3.34Å; Y103-P525 HydrophobicContact CD2-CG 3.85Å; Y103-P525 HydrophobicContact CE2-CG 4.19Å; Y103-F526 HydrophobicContact CD2-CZ 4.27Å; Y103-F526 HydrophobicContact CG-CZ 4.14Å
104R97.6Very high95.3Very high83 Ų8341.3 Ų41.331%0.31321%0.209SC..BIsolated β-bridgetrans-103.156.6172.6-66.5-179.563.8-152.34.9109.5W99 N184 G185 Y186 G187W99-R104 HydrophobicContact CD2-CB 4.31Å; W99-R104 HydrophobicContact CD2-CG 3.92Å; W99-R104 HydrophobicContact CE3-CB 4.43Å; W99-R104 HydrophobicContact CE3-CG 4.46Å; W99-R104 HydrophobicContact CG-CG 4.24Å; W99-R104 VanDerWaalsContact CH2-C 3.49Å; W99-R104 HydrophobicContact CH2-CB 3.88Å; W99-R104 HydrophobicContact CH2-CG 4.45Å; W99-R104 HydrophobicContact CZ2-CB 3.76Å; W99-R104 HydrophobicContact CZ2-CG 3.94Å; W99-R104 VanDerWaalsContact CZ3-C 3.47Å; W99-R104 VanDerWaalsContact CZ3-CA 3.42Å; W99-R104 HydrophobicContact CZ3-CB 4.24Å; R104-N184 PolarHBondContact NH1-O 3.32Å; R104-G185 WeakPolarHBondContact CD-O 3.43Å; R104-G185 PolarHBondContact NH1-O 2.72Å; R104-G185 VanDerWaalsContact NH1-O 3.17Å; R104-Y186 HydrophobicContact CB-CD1 4.02Å; R104-Y186 PolarHBondContact NH2-OH 2.86Å; R104-Y186 WeakPolarHBondContact O-CA 3.21Å; R104-G187 CarbonylContact C-O 3.5Å; R104-G187 PolarHBondContact N-O 3.09Å; R104-G187 PolarHBondContact O-N 3.23Å
105A98.2Very high95Very high0 Ų041.7 Ų41.70%021%0.211CC..  trans-62.9140.4-171.600000112.3I134 A135 G187 P188 F526A105-I134 HydrophobicContact CB-CG1 4.34Å; A105-A135 WeakPolarHBondContact O-CB 3.46Å; A105-A135 PolarHBondContact O-N 3.25Å; A105-G187 PolarHBondContact N-O 3.12Å; A105-P188 VanDerWaalsContact CA-O 3.29Å; A105-P188 WeakPolarHBondContact CA-O 3.46Å; A105-P188 HydrophobicContact CB-CG 4.37Å; A105-F526 HydrophobicContact CB-CD1 4.38Å; A105-F526 HydrophobicContact CB-CE1 3.51Å; A105-F526 HydrophobicContact CB-CZ 3.59Å
106V98.7Very high94.6Very high0 Ų043 Ų430%022%0.216CC..EExtended strand (participates in β ladder)trans-129.8128179.31780000110.4M93 A135 I137 Y186 P188 F189 A190M93-V106 HydrophobicContact CE-CG2 3.91Å; V106-A135 CarbonylContact C-O 3.54Å; V106-A135 WeakPolarHBondContact CA-O 3.39Å; V106-A135 HydrophobicContact CG2-CB 4.14Å; V106-I137 HydrophobicContact CG1-CB 4.49Å; V106-I137 HydrophobicContact CG1-CD1 3.95Å; V106-I137 HydrophobicContact CG1-CG1 3.89Å; V106-Y186 HydrophobicContact CG2-CD1 3.5Å; V106-Y186 HydrophobicContact CG2-CE1 4.35Å; V106-Y186 HydrophobicContact CG2-CG 3.86Å; V106-P188 PolarHBondContact N-O 3.21Å; V106-F189 HydrophobicContact CB-CD1 4.12Å; V106-F189 HydrophobicContact CB-CE1 4.41Å; V106-F189 WeakPolarHBondContact O-CA 3.23Å; V106-A190 PolarHBondContact O-N 2.81Å
107C98.8Very high94.5Very high0 Ų044.9 Ų44.90%023%0.227CC..EExtended strand (participates in β ladder)trans-104.8121.3170.4-1710000110.5H109 L129 I134 A135 S136 I137 A190 I508C107-H109 PolarHBondContact O-CD2 2.83Å; C107-H109 VanDerWaalsContact SG-CD2 3.55Å; C107-L129 HydrophobicContact CB-CD1 4.26Å; C107-I134 HydrophobicContact CB-CG2 4Å; C107-A135 PolarHBondContact N-O 2.9Å; C107-S136 CarbonylContact O-C 3.49Å; C107-S136 VanDerWaalsContact O-CA 3.25Å; C107-S136 WeakPolarHBondContact O-CA 3.32Å; C107-I137 PolarHBondContact O-N 3.05Å; C107-A190 CarbonylContact C-O 3.57Å; C107-A190 VanDerWaalsContact CA-O 3.32Å; C107-A190 WeakPolarHBondContact CA-O 3.26Å; C107-A190 HydrophobicContact CB-CB 4.1Å; C107-I508 HydrophobicContact CB-CG2 4.37Å
108I98.8Very high94.5Very high0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-90.1123.7174.4-53.2-173.2000109.1F110 I137 L177 L178 A190 L191 H192I108-F110 HydrophobicContact CG2-CE2 4.04Å; I108-F110 HydrophobicContact CG2-CZ 4.26Å; I108-I137 CarbonylContact C-O 3.59Å; I108-I137 WeakPolarHBondContact CA-O 3.2Å; I108-I137 HydrophobicContact CG1-CB 4.22Å; I108-I137 HydrophobicContact CG2-CG2 4.37Å; I108-L177 HydrophobicContact CD1-CB 4.23Å; I108-L178 HydrophobicContact CD1-CD2 3.63Å; I108-L178 HydrophobicContact CD1-CG 3.77Å; I108-L178 HydrophobicContact CG1-CD2 4.47Å; I108-A190 PolarHBondContact N-O 2.84Å; I108-L191 HydrophobicContact CB-CD2 3.85Å; I108-L191 HydrophobicContact CD1-CD2 4.1Å; I108-L191 HydrophobicContact CG1-CD2 4.15Å; I108-H192 PolarHBondContact O-N 2.96Å
109H98.5Very high94.5Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-103.2125.1-175.7-55.9177.8000111.3C107 R121 L129 S136 I137 L139 H192C107-H109 PolarHBondContact O-CD2 2.83Å; C107-H109 VanDerWaalsContact SG-CD2 3.55Å; H109-R121 PolarHBondContact O-NH1 2.75Å; H109-L129 WeakPolarHBondContact NE2-CD1 3.46Å; H109-S136 PolarHBondContact CE1-OG 3.4Å; H109-S136 PolarHBondContact NE2-OG 3.32Å; H109-I137 PolarHBondContact N-O 3.41Å; H109-L139 PolarHBondContact O-N 2.7Å; H109-H192 CarbonylContact C-O 3.57Å; H109-H192 VanDerWaalsContact CA-O 3.27Å; H109-H192 WeakPolarHBondContact CA-O 3.44Å
110F98.5Very high94.4Very high4 Ų435.4 Ų35.42%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-99.5141.3174.3-65.1-94.2000111.2I108 L139 H141 L170 C174 L191 H192 G197 M200 C204I108-F110 HydrophobicContact CG2-CE2 4.04Å; I108-F110 HydrophobicContact CG2-CZ 4.26Å; F110-L139 HydrophobicContact CE1-CD2 4.08Å; F110-H141 AromaticContact CD1-NE2 3.73Å; F110-L170 HydrophobicContact CD1-CD1 4.41Å; F110-L170 HydrophobicContact CD1-CD2 4.27Å; F110-L170 HydrophobicContact CE1-CB 4.32Å; F110-L170 HydrophobicContact CE1-CD2 4.27Å; F110-C174 HydrophobicContact CE1-CB 4.43Å; F110-C174 HydrophobicContact CZ-CB 3.94Å; F110-L191 HydrophobicContact CE2-CB 4.33Å; F110-L191 HydrophobicContact CE2-CD2 4.27Å; F110-H192 WeakPolarHBondContact CD2-O 3.41Å; F110-H192 PolarHBondContact N-O 2.89Å; F110-G197 WeakPolarHBondContact CB-O 3.45Å; F110-M200 HydrophobicContact CB-CB 4.45Å; F110-M200 HydrophobicContact CD1-CB 3.85Å; F110-M200 HydrophobicContact CE1-CB 4.45Å; F110-M200 HydrophobicContact CG-CB 4.3Å; F110-C204 VanDerWaalsContact CE1-SG 3.54Å; F110-C204 HydrophobicContact CZ-CB 3.95Å; F110-C204 WeakPolarHBondContact CZ-SG 3.42Å
111S95.9Very high94.6Very high0 Ų032.1 Ų32.10%016%0.161CC..PPolyproline II helixtrans-78.1137.6-178.634.80000112.3D115 H141 G197S111-D115 WeakPolarHBondContact CB-O 3.17Å; S111-H141 PolarHBondContact N-NE2 3.38Å; S111-H141 PolarHBondContact O-CE1 2.89Å; S111-H141 PolarHBondContact OG-CD2 2.89Å; S111-H141 PolarHBondContact OG-CE1 3.38Å; S111-H141 PolarHBondContact OG-ND1 2.68Å; S111-H141 PolarHBondContact OG-NE2 3.11Å; S111-G197 VanDerWaalsContact O-CA 3.28Å; S111-G197 WeakPolarHBondContact O-CA 3.28Å; S111-G197 PolarHBondContact O-N 2.64Å; S111-G197 VanDerWaalsContact O-N 3.12Å
112G93.6Very high94.8Very high10 Ų1034.4 Ų34.410%0.10317%0.168CC..PPolyproline II helixtrans-79.8172.516400000112.3G114 D115 I194G112-G114 PolarHBondContact O-N 2.79Å; G112-D115 WeakPolarHBondContact O-CB 3.4Å; G112-D115 PolarHBondContact O-N 2.69Å; G112-I194 WeakPolarHBondContact CA-O 3.39Å
113T91.3Very high94.8Very high50 Ų5029.5 Ų29.531%0.30714%0.144SC..THydrogen-bonded Turntrans-56.8124.1175.8-54.70000111.1F16 Y144 S155F16-T113 HydrophobicContact CE2-CG2 4.28Å; F16-T113 HydrophobicContact CZ-CG2 3.86Å; T113-Y144 WeakPolarHBondContact CA-OH 3.3Å; T113-S155 VanDerWaalsContact CG2-OG 3.24Å; T113-S155 WeakPolarHBondContact CG2-OG 3.48Å
114G86.4Confident94.5Very high32 Ų3231.2 Ų31.233%0.3315%0.152SC..THydrogen-bonded Turntrans87.8-6.5-178.900000115.3G112 Q116 S155G112-G114 PolarHBondContact O-N 2.79Å; G114-Q116 PolarHBondContact O-N 2.94Å; G114-S155 PolarHBondContact N-OG 3.06Å
115D91.4Very high94.4Very high11 Ų1128 Ų286%0.05914%0.14CC..  trans-88.480.3173.4-177.430.5000111.3S111 G112 R121 Y144S111-D115 WeakPolarHBondContact CB-O 3.17Å; G112-D115 WeakPolarHBondContact O-CB 3.4Å; G112-D115 PolarHBondContact O-N 2.69Å; D115-R121 WeakPolarHBondContact OD2-CD 3.34Å; D115-R121 VanDerWaalsContact OD2-CG 3.26Å; D115-R121 WeakPolarHBondContact OD2-CG 3.49Å; D115-R121 IonicContact OD2-CZ 2.68Å; D115-R121 IonicContact OD2-NE 3.15Å; D115-R121 PolarHBondContact OD2-NE 3.38Å; D115-R121 IonicContact OD2-NH2 3.71Å; D115-Y144 VanDerWaalsContact O-CD2 3.28Å; D115-Y144 WeakPolarHBondContact O-CD2 3.48Å
116Q90.7Very high94.2Very high35 Ų3528 Ų2816%0.16414%0.14CC..  trans-75.9-31.4-166.1-69.6-68.3-43.300115G114 Y144 S145G114-Q116 PolarHBondContact O-N 2.94Å; Q116-Y144 VanDerWaalsContact OE1-CA 3.25Å; Q116-S145 WeakPolarHBondContact O-CB 3.49Å
117N92.6Very high93.9Very high46 Ų4630.8 Ų30.825%0.24616%0.16CC..SBendtrans-125.5-162-171.863.645.6000111Y119 R121N117-Y119 VanDerWaalsContact OD1-CB 3.23Å; N117-Y119 WeakPolarHBondContact OD1-CB 3.42Å; N117-Y119 PolarHBondContact OD1-N 3.05Å; N117-R121 PolarHBondContact O-NH2 2.85Å
118Y95.7Very high93.6Very high29 Ų2931.4 Ų31.411%0.11417%0.165CC..SBendtrans-86.8-22-178.9-48.5-47.1000113.8R90 F91 Q92 R120 R121 R122 I138 M140R90-Y118 VanDerWaalsContact CB-OH 3.28Å; R90-Y118 WeakPolarHBondContact CB-OH 3.36Å; F91-Y118 PolarHBondContact N-OH 2.95Å; Q92-Y118 HydrophobicContact CB-CD1 4.13Å; Q92-Y118 HydrophobicContact CB-CD2 3.72Å; Q92-Y118 HydrophobicContact CB-CE1 4.35Å; Q92-Y118 HydrophobicContact CB-CE2 3.96Å; Q92-Y118 HydrophobicContact CB-CG 3.8Å; Q92-Y118 HydrophobicContact CG-CD2 4.47Å; Y118-R120 PolarHBondContact O-N 3.15Å; Y118-R121 PolarHBondContact O-N 3.12Å; Y118-R122 VanDerWaalsContact O-CB 3.32Å; Y118-R122 WeakPolarHBondContact O-CB 3.45Å; Y118-R122 PolarHBondContact O-N 3.23Å; Y118-I138 HydrophobicContact CD1-CB 4.25Å; Y118-I138 HydrophobicContact CD1-CG2 3.87Å; Y118-I138 WeakPolarHBondContact CE1-O 3.27Å; Y118-M140 HydrophobicContact CE1-CB 3.83Å; Y118-M140 HydrophobicContact CE1-CE 3.95Å; Y118-M140 HydrophobicContact CE2-CE 4.32Å
119Y94.6Very high93.5Very high120 Ų12031.4 Ų31.447%0.47117%0.165SC..Hα-helixtrans-59.4-49.9-160.1177.5-96.7000113N117 R122 V123N117-Y119 VanDerWaalsContact OD1-CB 3.23Å; N117-Y119 WeakPolarHBondContact OD1-CB 3.42Å; N117-Y119 PolarHBondContact OD1-N 3.05Å; Y119-R122 PolarHBondContact O-N 3.16Å; Y119-V123 HydrophobicContact CD2-CG2 4.09Å; Y119-V123 HydrophobicContact CE1-CG2 4.21Å; Y119-V123 HydrophobicContact CE2-CG2 3.73Å; Y119-V123 HydrophobicContact CG-CG2 4.47Å; Y119-V123 WeakPolarHBondContact O-CB 3.45Å; Y119-V123 WeakPolarHBondContact O-CG2 3.4Å; Y119-V123 PolarHBondContact O-N 3.37Å
120R91.6Very high93.3Very high32 Ų3232.5 Ų32.512%0.12117%0.17CC..Hα-helixtrans-63.3-52.2-177-69.2179.7174.8-170.1-3.2111.1Y118 R122 V123 F124 M346 S347Y118-R120 PolarHBondContact O-N 3.15Å; R120-R122 VanDerWaalsContact C-N 3.26Å; R120-R122 PolarHBondContact O-N 3.39Å; R120-V123 PolarHBondContact O-N 3.35Å; R120-F124 HydrophobicContact CB-CD2 4.25Å; R120-F124 WeakPolarHBondContact O-CB 3.44Å; R120-F124 VanDerWaalsContact O-CD2 3.28Å; R120-F124 WeakPolarHBondContact O-CD2 3.47Å; R120-F124 PolarHBondContact O-N 3.21Å; R120-M346 VanDerWaalsContact NH2-C 3.29Å; R120-M346 PolarHBondContact NH2-O 3.5Å; R120-S347 PolarHBondContact NH2-OG 3.3Å
121R94.9Very high93Very high16 Ų1640 Ų406%0.0620%0.203CC..Hα-helixtrans-60.1-35.2176.5-78.4175.8-71.3161.70.1112.6H109 D115 N117 Y118 L125 A126 I138 L139H109-R121 PolarHBondContact O-NH1 2.75Å; D115-R121 WeakPolarHBondContact OD2-CD 3.34Å; D115-R121 VanDerWaalsContact OD2-CG 3.26Å; D115-R121 WeakPolarHBondContact OD2-CG 3.49Å; D115-R121 IonicContact OD2-CZ 2.68Å; D115-R121 IonicContact OD2-NE 3.15Å; D115-R121 PolarHBondContact OD2-NE 3.38Å; D115-R121 IonicContact OD2-NH2 3.71Å; N117-R121 PolarHBondContact O-NH2 2.85Å; Y118-R121 PolarHBondContact O-N 3.12Å; R121-L125 WeakPolarHBondContact O-CB 3.33Å; R121-L125 PolarHBondContact O-N 2.89Å; R121-A126 PolarHBondContact O-N 2.81Å; R121-I138 HydrophobicContact CB-CD1 4.26Å; R121-I138 HydrophobicContact CB-CG1 4.45Å; R121-I138 HydrophobicContact CB-CG2 3.77Å; R121-I138 HydrophobicContact CG-CG2 4.5Å; R121-L139 PolarHBondContact NH1-O 3.29Å; R121-L139 PolarHBondContact NH2-O 2.67Å; R121-L139 VanDerWaalsContact NH2-O 3.16Å
122R94.8Very high92.9Very high66 Ų6640.6 Ų40.625%0.24921%0.206CC..Iπ-helixtrans-65.3-55.8175.5-176.9176.158.3-171.1-1.4111I94 Y118 Y119 R120 A126 S127 I138I94-R122 HydrophobicContact CD1-CG 4.16Å; I94-R122 HydrophobicContact CG1-CG 4.22Å; Y118-R122 VanDerWaalsContact O-CB 3.32Å; Y118-R122 WeakPolarHBondContact O-CB 3.45Å; Y118-R122 PolarHBondContact O-N 3.23Å; Y119-R122 PolarHBondContact O-N 3.16Å; R120-R122 VanDerWaalsContact C-N 3.26Å; R120-R122 PolarHBondContact O-N 3.39Å; R122-A126 PolarHBondContact O-N 3.11Å; R122-S127 PolarHBondContact O-N 2.81Å; R122-S127 PolarHBondContact O-OG 3.38Å; R122-I138 HydrophobicContact CB-CD1 3.67Å; R122-I138 HydrophobicContact CG-CD1 4.44Å
123V92.2Very high93Very high59 Ų5940.1 Ų40.136%0.35820%0.201SC..Iπ-helixtrans-69.1-48.2-172.3172.50000112.1Y119 R120Y119-V123 HydrophobicContact CD2-CG2 4.09Å; Y119-V123 HydrophobicContact CE1-CG2 4.21Å; Y119-V123 HydrophobicContact CE2-CG2 3.73Å; Y119-V123 HydrophobicContact CG-CG2 4.47Å; Y119-V123 WeakPolarHBondContact O-CB 3.45Å; Y119-V123 WeakPolarHBondContact O-CG2 3.4Å; Y119-V123 PolarHBondContact O-N 3.37Å; R120-V123 PolarHBondContact O-N 3.35Å
124F90.9Very high93.3Very high62 Ų6237.8 Ų37.827%0.27219%0.187SC..Iπ-helixtrans-86.6-17.4-171.2-64.6-67.3000114.1R120 M346R120-F124 HydrophobicContact CB-CD2 4.25Å; R120-F124 WeakPolarHBondContact O-CB 3.44Å; R120-F124 VanDerWaalsContact O-CD2 3.28Å; R120-F124 WeakPolarHBondContact O-CD2 3.47Å; R120-F124 PolarHBondContact O-N 3.21Å; F124-M346 HydrophobicContact CE2-CE 3.48Å; F124-M346 VanDerWaalsContact CE2-CE 3.48Å; F124-M346 HydrophobicContact CZ-CE 3.47Å; F124-M346 VanDerWaalsContact CZ-CE 3.47Å
125L94Very high93.8Very high15 Ų1536.2 Ų36.28%0.07917%0.171CC..Iπ-helixtrans-130.1-61.7-177.5-172.960.6000113.1R121 S127 S128 L129 H192 R505 I508R121-L125 WeakPolarHBondContact O-CB 3.33Å; R121-L125 PolarHBondContact O-N 2.89Å; L125-S127 PolarHBondContact O-N 3.23Å; L125-S128 WeakPolarHBondContact O-CA 3.44Å; L125-S128 WeakPolarHBondContact O-CB 3.17Å; L125-S128 PolarHBondContact O-N 2.8Å; L125-S128 PolarHBondContact O-OG 3.12Å; L125-L129 HydrophobicContact CD1-CD1 4.12Å; L125-L129 HydrophobicContact CD1-CG 4.15Å; L125-L129 HydrophobicContact CD2-CD1 4.5Å; L125-L129 HydrophobicContact CG-CD1 3.88Å; L125-L129 HydrophobicContact CG-CG 4.33Å; L125-L129 PolarHBondContact O-N 3.14Å; L125-H192 WeakPolarHBondContact CD2-CD2 3.49Å; L125-H192 WeakPolarHBondContact CD2-NE2 3.37Å; L125-R505 HydrophobicContact CD1-CB 4Å; L125-I508 HydrophobicContact CD1-CD1 4.05Å; L125-I508 HydrophobicContact CD2-CD1 3.99Å; L125-I508 HydrophobicContact CG-CD1 4.43Å
126A95.4Very high94.2Very high0 Ų035.7 Ų35.70%017%0.168CC..Iπ-helixtrans-57.3-47.6-172.300000112.7I94 R121 R122 S128 L129 I130 S136 I138I94-A126 HydrophobicContact CB-CB 4.4Å; I94-A126 HydrophobicContact CG1-CB 4.18Å; R121-A126 PolarHBondContact O-N 2.81Å; R122-A126 PolarHBondContact O-N 3.11Å; A126-S128 PolarHBondContact O-N 3.21Å; A126-S128 VanDerWaalsContact O-N 3.11Å; A126-L129 PolarHBondContact O-N 2.88Å; A126-I130 WeakPolarHBondContact O-CG1 3.29Å; A126-I130 PolarHBondContact O-N 2.8Å; A126-I130 VanDerWaalsContact O-N 3.11Å; A126-S136 WeakPolarHBondContact CA-OG 3.48Å; A126-S136 WeakPolarHBondContact CB-OG 3.29Å; A126-I138 HydrophobicContact CB-CD1 4.15Å
127S92.4Very high94.6Very high59 Ų5934 Ų3441%0.41316%0.16SC..Hα-helixtrans-58.1-28.1177.1-64.40000113.3R122 L125R122-S127 PolarHBondContact O-N 2.81Å; R122-S127 PolarHBondContact O-OG 3.38Å; L125-S127 PolarHBondContact O-N 3.23Å
128S92.2Very high94.8Very high14 Ų1431.9 Ų31.910%0.09815%0.149CC..Hα-helixtrans-81.2-39177.181.30000111.8L125 A126 I130 K131 R505L125-S128 WeakPolarHBondContact O-CA 3.44Å; L125-S128 WeakPolarHBondContact O-CB 3.17Å; L125-S128 PolarHBondContact O-N 2.8Å; L125-S128 PolarHBondContact O-OG 3.12Å; A126-S128 PolarHBondContact O-N 3.21Å; A126-S128 VanDerWaalsContact O-N 3.11Å; S128-I130 VanDerWaalsContact C-N 3.27Å; S128-I130 PolarHBondContact O-N 2.87Å; S128-K131 WeakPolarHBondContact O-CB 3.4Å; S128-K131 PolarHBondContact O-N 3.45Å; S128-K131 VanDerWaalsContact O-N 3.07Å; S128-R505 PolarHBondContact O-NE 3.43Å; S128-R505 PolarHBondContact O-NH2 3.49Å; S128-R505 VanDerWaalsContact OG-CD 3.29Å; S128-R505 WeakPolarHBondContact OG-CD 3.02Å
129L95.4Very high95Very high0 Ų030.5 Ų30.50%014%0.143CC..Hα-helixtrans-64.2-29.7177.2-72.7175.6000112.8C107 H109 L125 A126 K131 D132 G133 I134 R505 I508C107-L129 HydrophobicContact CB-CD1 4.26Å; H109-L129 WeakPolarHBondContact NE2-CD1 3.46Å; L125-L129 HydrophobicContact CD1-CD1 4.12Å; L125-L129 HydrophobicContact CD1-CG 4.15Å; L125-L129 HydrophobicContact CD2-CD1 4.5Å; L125-L129 HydrophobicContact CG-CD1 3.88Å; L125-L129 HydrophobicContact CG-CG 4.33Å; L125-L129 PolarHBondContact O-N 3.14Å; A126-L129 PolarHBondContact O-N 2.88Å; L129-K131 PolarHBondContact O-N 3.45Å; L129-D132 CarbonylContact O-C 3.58Å; L129-D132 WeakPolarHBondContact O-CA 3.19Å; L129-D132 WeakPolarHBondContact O-CB 3.08Å; L129-D132 PolarHBondContact O-N 3.41Å; L129-G133 PolarHBondContact O-N 2.91Å; L129-I134 CarbonylContact C-O 3.58Å; L129-I134 HydrophobicContact CB-CB 4.15Å; L129-I134 HydrophobicContact CB-CG2 4.37Å; L129-I134 HydrophobicContact CD2-CD1 4.06Å; L129-I134 PolarHBondContact O-N 2.84Å; L129-R505 HydrophobicContact CD2-CG 3.84Å; L129-I508 HydrophobicContact CD1-CD1 4.06Å; L129-I508 HydrophobicContact CD2-CB 4.28Å; L129-I508 HydrophobicContact CD2-CD1 4.32Å; L129-I508 HydrophobicContact CD2-CG2 3.9Å
130I95.2Very high95.1Very high23 Ų2325 Ų2512%0.11812%0.122CC..G310 helixtrans-52.8-38.5170.9-67.4-53.2000111.9T63 I94 P96 A126 S128 D132 G133 I134T63-I130 HydrophobicContact CG2-CG1 4.03Å; T63-I130 HydrophobicContact CG2-CG2 3.97Å; I94-I130 HydrophobicContact CG2-CD1 4.01Å; I94-I130 HydrophobicContact CG2-CG1 4.01Å; P96-I130 HydrophobicContact CB-CD1 4.31Å; P96-I130 HydrophobicContact CB-CG2 4.21Å; P96-I130 HydrophobicContact CG-CD1 4.5Å; A126-I130 WeakPolarHBondContact O-CG1 3.29Å; A126-I130 PolarHBondContact O-N 2.8Å; A126-I130 VanDerWaalsContact O-N 3.11Å; S128-I130 VanDerWaalsContact C-N 3.27Å; S128-I130 PolarHBondContact O-N 2.87Å; I130-D132 PolarHBondContact O-N 3.18Å; I130-G133 PolarHBondContact O-N 3Å; I130-I134 PolarHBondContact N-O 3.09Å
131K92Very high95.4Very high162 Ų16223.4 Ų23.470%0.70412%0.116SC*.G310 helixtrans-71.3-18.8179-54.4174.8-176.8175.10112.8S128 L129 G133S128-K131 WeakPolarHBondContact O-CB 3.4Å; S128-K131 PolarHBondContact O-N 3.45Å; S128-K131 VanDerWaalsContact O-N 3.07Å; L129-K131 PolarHBondContact O-N 3.45Å; K131-G133 VanDerWaalsContact C-N 3.34Å
132D93.8Very high95.6Very high12 Ų1222.7 Ų22.76%0.06411%0.113CC..G310 helixtrans-92.61.1177.6-60.7-17.9000112L129 I130 I134 R505 S509 G527L129-D132 CarbonylContact O-C 3.58Å; L129-D132 WeakPolarHBondContact O-CA 3.19Å; L129-D132 WeakPolarHBondContact O-CB 3.08Å; L129-D132 PolarHBondContact O-N 3.41Å; I130-D132 PolarHBondContact O-N 3.18Å; D132-I134 HydrophobicContact CB-CD1 3.94Å; D132-I134 HydrophobicContact CB-CG1 4.36Å; D132-R505 IonicContact OD1-CZ 3.61Å; D132-R505 IonicContact OD1-NE 2.69Å; D132-R505 IonicContact OD1-NH2 3.93Å; D132-R505 PolarHBondContact OD1-NH2 3.07Å; D132-R505 IonicContact OD2-CZ 2.75Å; D132-R505 IonicContact OD2-NE 3.24Å; D132-R505 PolarHBondContact OD2-NE 2.64Å; D132-R505 IonicContact OD2-NH2 3.25Å; D132-R505 PolarHBondContact OD2-NH2 2.84Å; D132-S509 PolarHBondContact OD2-OG 3.01Å; D132-G527 PolarHBondContact O-N 2.77Å; D132-G527 WeakPolarHBondContact OD1-CA 3.5Å
133G94.7Very high95.7Very high0 Ų019.8 Ų19.80%010%0.102CC..THydrogen-bonded Turntrans79.620.4-176.300000113.9W99 S100 L129 I130 K131W99-G133 WeakPolarHBondContact CZ3-O 3.38Å; S100-G133 WeakPolarHBondContact OG-CA 3.33Å; L129-G133 PolarHBondContact O-N 2.91Å; I130-G133 PolarHBondContact O-N 3Å; K131-G133 VanDerWaalsContact C-N 3.34Å
134I97.8Very high95.9Very high0 Ų017 Ų170%09%0.086CC..  trans-114.4123.1-175.5-59.8161.2000108.9A105 C107 L129 I130 D132 I508 L512 F526A105-I134 HydrophobicContact CB-CG1 4.34Å; C107-I134 HydrophobicContact CB-CG2 4Å; L129-I134 CarbonylContact C-O 3.58Å; L129-I134 HydrophobicContact CB-CB 4.15Å; L129-I134 HydrophobicContact CB-CG2 4.37Å; L129-I134 HydrophobicContact CD2-CD1 4.06Å; L129-I134 PolarHBondContact O-N 2.84Å; I130-I134 PolarHBondContact N-O 3.09Å; D132-I134 HydrophobicContact CB-CD1 3.94Å; D132-I134 HydrophobicContact CB-CG1 4.36Å; I134-I508 HydrophobicContact CD1-CG2 4.25Å; I134-L512 HydrophobicContact CD1-CD1 3.5Å; I134-L512 HydrophobicContact CG1-CD1 3.84Å; I134-L512 HydrophobicContact CG2-CD1 4.1Å; I134-F526 HydrophobicContact CD1-CB 3.96Å; I134-F526 HydrophobicContact CD1-CD1 4.29Å; I134-F526 HydrophobicContact CD1-CG 4.2Å; I134-F526 HydrophobicContact CG1-CB 4.3Å; I134-F526 HydrophobicContact CG1-CD1 3.71Å; I134-F526 HydrophobicContact CG1-CE1 4.35Å; I134-F526 HydrophobicContact CG1-CG 4.12Å
135A98.4Very high96.1Very high0 Ų016.3 Ų16.30%09%0.088CC..EExtended strand (participates in β ladder)trans-78.1159.616900000110.9I94 I95 W99 A105 V106 C107I94-A135 CarbonylContact O-C 3.58Å; I94-A135 VanDerWaalsContact O-CA 3.31Å; I94-A135 WeakPolarHBondContact O-CA 3.45Å; I94-A135 WeakPolarHBondContact O-CB 3.35Å; I95-A135 HydrophobicContact CG2-CB 4.47Å; W99-A135 HydrophobicContact CH2-CB 3.56Å; W99-A135 HydrophobicContact CZ2-CB 4.4Å; W99-A135 HydrophobicContact CZ3-CB 4.23Å; A105-A135 WeakPolarHBondContact O-CB 3.46Å; A105-A135 PolarHBondContact O-N 3.25Å; V106-A135 CarbonylContact C-O 3.54Å; V106-A135 WeakPolarHBondContact CA-O 3.39Å; V106-A135 HydrophobicContact CG2-CB 4.14Å; C107-A135 PolarHBondContact N-O 2.9Å
136S98.8Very high96.2Very high0 Ų021.4 Ų21.40%011%0.11CC..EExtended strand (participates in β ladder)trans-126.2139.4178.1-60.60000111.6M93 I94 C107 H109 A126M93-S136 CarbonylContact C-O 3.18Å; M93-S136 VanDerWaalsContact CA-O 3.23Å; M93-S136 WeakPolarHBondContact CA-O 3.2Å; I94-S136 PolarHBondContact N-O 3.49Å; I94-S136 PolarHBondContact O-N 3.36Å; C107-S136 CarbonylContact O-C 3.49Å; C107-S136 VanDerWaalsContact O-CA 3.25Å; C107-S136 WeakPolarHBondContact O-CA 3.32Å; H109-S136 PolarHBondContact CE1-OG 3.4Å; H109-S136 PolarHBondContact NE2-OG 3.32Å; A126-S136 WeakPolarHBondContact CA-OG 3.48Å; A126-S136 WeakPolarHBondContact CB-OG 3.29Å
137I98.7Very high96.3Very high0 Ų021.6 Ų21.60%011%0.11CC..EExtended strand (participates in β ladder)trans-107.1126.7160.4-69.7176.8000107.7F91 Q92 M93 V106 C107 I108 H109 L177 C181F91-I137 HydrophobicContact CB-CG2 4.06Å; F91-I137 HydrophobicContact CD2-CG2 4.1Å; F91-I137 HydrophobicContact CG-CG2 4.35Å; Q92-I137 CarbonylContact O-C 3.56Å; M93-I137 HydrophobicContact CB-CG1 4.06Å; M93-I137 HydrophobicContact CE-CD1 4.41Å; M93-I137 HydrophobicContact CE-CG1 4.34Å; M93-I137 HydrophobicContact CG-CD1 4.49Å; M93-I137 HydrophobicContact CG-CG1 3.69Å; M93-I137 HydrophobicContact SD-CD1 4.3Å; M93-I137 HydrophobicContact SD-CG1 4.12Å; V106-I137 HydrophobicContact CG1-CB 4.49Å; V106-I137 HydrophobicContact CG1-CD1 3.95Å; V106-I137 HydrophobicContact CG1-CG1 3.89Å; C107-I137 PolarHBondContact O-N 3.05Å; I108-I137 CarbonylContact C-O 3.59Å; I108-I137 WeakPolarHBondContact CA-O 3.2Å; I108-I137 HydrophobicContact CG1-CB 4.22Å; I108-I137 HydrophobicContact CG2-CG2 4.37Å; H109-I137 PolarHBondContact N-O 3.41Å; I137-L177 HydrophobicContact CD1-CD2 4.48Å; I137-L177 HydrophobicContact CG2-CD1 4.13Å; I137-C181 WeakPolarHBondContact CD1-SG 3.4Å
138I98.5Very high96.4Very high0 Ų021.9 Ų21.90%010%0.104CC..EExtended strand (participates in β ladder)trans-108.5103.8179.2-50.8174.2000107.3F91 Q92 I94 Y118 R121 R122 A126F91-I138 VanDerWaalsContact CA-O 3.3Å; F91-I138 WeakPolarHBondContact CA-O 3.5Å; Q92-I138 PolarHBondContact N-O 3.32Å; Q92-I138 PolarHBondContact O-N 3.47Å; I94-I138 HydrophobicContact CG1-CD1 4.41Å; Y118-I138 HydrophobicContact CD1-CB 4.25Å; Y118-I138 HydrophobicContact CD1-CG2 3.87Å; Y118-I138 WeakPolarHBondContact CE1-O 3.27Å; R121-I138 HydrophobicContact CB-CD1 4.26Å; R121-I138 HydrophobicContact CB-CG1 4.45Å; R121-I138 HydrophobicContact CB-CG2 3.77Å; R121-I138 HydrophobicContact CG-CG2 4.5Å; R122-I138 HydrophobicContact CB-CD1 3.67Å; R122-I138 HydrophobicContact CG-CD1 4.44Å; A126-I138 HydrophobicContact CB-CD1 4.15Å
139L98.2Very high96.5Very high0 Ų022.7 Ų22.70%011%0.109CC..EExtended strand (participates in β ladder)trans-85.6128.9-176.2-177.655000110.9F91 H109 F110 R121 L170 E173 L177F91-L139 HydrophobicContact CB-CD1 4.4Å; H109-L139 PolarHBondContact O-N 2.7Å; F110-L139 HydrophobicContact CE1-CD2 4.08Å; R121-L139 PolarHBondContact NH1-O 3.29Å; R121-L139 PolarHBondContact NH2-O 2.67Å; R121-L139 VanDerWaalsContact NH2-O 3.16Å; L139-L170 HydrophobicContact CD2-CD2 3.51Å; L139-L170 HydrophobicContact CG-CD2 3.98Å; L139-E173 HydrophobicContact CD2-CB 4.35Å; L139-L177 HydrophobicContact CD1-CD1 3.91Å; L139-L177 HydrophobicContact CD2-CD1 4.32Å
140M98.1Very high96.4Very high4 Ų430 Ų302%0.0215%0.148CC..EExtended strand (participates in β ladder)trans-80.3118.2170.8-175.6174.3-69.900109.1R90 Y118 Y144 K146 R147R90-M140 HydrophobicContact CB-CB 4.23Å; R90-M140 HydrophobicContact CB-SD 4.4Å; R90-M140 WeakPolarHBondContact O-CB 3.37Å; R90-M140 PolarHBondContact O-N 2.86Å; Y118-M140 HydrophobicContact CE1-CB 3.83Å; Y118-M140 HydrophobicContact CE1-CE 3.95Å; Y118-M140 HydrophobicContact CE2-CE 4.32Å; M140-Y144 VanDerWaalsContact SD-O 3.4Å; M140-K146 HydrophobicContact SD-CB 4.14Å; M140-R147 HydrophobicContact CG-CG 4.44Å; M140-R147 PolarHBondContact O-NH1 2.9Å; M140-R147 HydrophobicContact SD-CG 4.09Å
141H97.8Very high96.2Very high0 Ų034.9 Ų34.90%017%0.171CC..PPolyproline II helixtrans-60.8151.4176.7-76.8-159.3000111.7F110 S111 Y144 R147 M166 L170 M196F110-H141 AromaticContact CD1-NE2 3.73Å; S111-H141 PolarHBondContact N-NE2 3.38Å; S111-H141 PolarHBondContact O-CE1 2.89Å; S111-H141 PolarHBondContact OG-CD2 2.89Å; S111-H141 PolarHBondContact OG-CE1 3.38Å; S111-H141 PolarHBondContact OG-ND1 2.68Å; S111-H141 PolarHBondContact OG-NE2 3.11Å; H141-Y144 HydrophobicContact CB-CD1 4.29Å; H141-Y144 HydrophobicContact CB-CD2 4.21Å; H141-Y144 HydrophobicContact CB-CG 4.02Å; H141-Y144 WeakPolarHBondContact O-CB 3.3Å; H141-Y144 PolarHBondContact O-N 2.77Å; H141-R147 WeakPolarHBondContact O-CD 3.45Å; H141-M166 HydrophobicContact CB-CG 4.41Å; H141-M166 HydrophobicContact CB-SD 4.2Å; H141-M166 PolarHBondContact ND1-SD 2.89Å; H141-L170 HydrophobicContact CB-CD1 4.49Å; H141-M196 WeakPolarHBondContact ND1-CE 3.31Å
142P97.9Very high96.3Very high0 Ų027.2 Ų27.20%014%0.137CC..THydrogen-bonded Turntrans-48.1148.3158.7-22.130000110.7L82 N86 Y144 M166 A169 L170L82-P142 HydrophobicContact CD2-CB 4.17Å; N86-P142 VanDerWaalsContact OD1-CA 3.22Å; N86-P142 WeakPolarHBondContact OD1-CA 3.48Å; N86-P142 WeakPolarHBondContact OD1-CB 3.3Å; P142-Y144 PolarHBondContact O-N 3.47Å; P142-M166 HydrophobicContact CB-CB 4.35Å; P142-M166 HydrophobicContact CB-CG 4.16Å; P142-M166 HydrophobicContact CG-CB 4.48Å; P142-M166 HydrophobicContact CG-CG 4.1Å; P142-M166 WeakPolarHBondContact O-CE 3.19Å; P142-A169 HydrophobicContact CG-CB 3.66Å; P142-L170 HydrophobicContact CG-CG 4.45Å
143F97.2Very high96.1Very high6 Ų633.1 Ų33.13%0.02617%0.165CC..THydrogen-bonded Turntrans65.79.7-179.4-48.1-84.9000116N86 R147 K148 P149 Q152 L157 D162 I165 M166N86-F143 WeakPolarHBondContact ND2-CE1 3.42Å; N86-F143 PolarHBondContact OD1-N 3.31Å; N86-F143 VanDerWaalsContact OD1-N 3.08Å; F143-R147 VanDerWaalsContact CA-O 3.26Å; F143-R147 WeakPolarHBondContact CA-O 3.29Å; F143-R147 PolarHBondContact N-O 3.44Å; F143-K148 WeakPolarHBondContact O-CB 3.37Å; F143-K148 WeakPolarHBondContact O-CG 3.23Å; F143-P149 HydrophobicContact CD1-CG 3.98Å; F143-Q152 PolarHBondContact O-NE2 2.95Å; F143-L157 HydrophobicContact CB-CD2 3.58Å; F143-L157 HydrophobicContact CD1-CD2 4.42Å; F143-L157 HydrophobicContact CD2-CD2 4.01Å; F143-L157 HydrophobicContact CG-CD2 3.76Å; F143-D162 HydrophobicContact CD1-CB 4.43Å; F143-D162 HydrophobicContact CD2-CB 4.49Å; F143-D162 HydrophobicContact CE1-CB 3.91Å; F143-D162 HydrophobicContact CE2-CB 4Å; F143-D162 WeakPolarHBondContact CE2-O 3.32Å; F143-D162 HydrophobicContact CZ-CB 3.68Å; F143-I165 HydrophobicContact CE2-CB 4.21Å; F143-I165 HydrophobicContact CE2-CG2 3.91Å; F143-I165 HydrophobicContact CZ-CB 4.22Å; F143-I165 HydrophobicContact CZ-CG2 3.87Å; F143-M166 HydrophobicContact CB-CE 4.36Å; F143-M166 HydrophobicContact CD2-CB 4.1Å; F143-M166 HydrophobicContact CD2-CE 4.09Å; F143-M166 HydrophobicContact CE2-CB 4.16Å
144Y96.5Very high95.8Very high1 Ų134.9 Ų34.90%0.00418%0.182CC..SBendtrans-117.2142.3-177.2-81.435.2000111.6T113 D115 Q116 M140 H141 P142 K146 R147 S155 M166 M196T113-Y144 WeakPolarHBondContact CA-OH 3.3Å; D115-Y144 VanDerWaalsContact O-CD2 3.28Å; D115-Y144 WeakPolarHBondContact O-CD2 3.48Å; Q116-Y144 VanDerWaalsContact OE1-CA 3.25Å; M140-Y144 VanDerWaalsContact SD-O 3.4Å; H141-Y144 HydrophobicContact CB-CD1 4.29Å; H141-Y144 HydrophobicContact CB-CD2 4.21Å; H141-Y144 HydrophobicContact CB-CG 4.02Å; H141-Y144 WeakPolarHBondContact O-CB 3.3Å; H141-Y144 PolarHBondContact O-N 2.77Å; P142-Y144 PolarHBondContact O-N 3.47Å; Y144-K146 PolarHBondContact O-N 2.72Å; Y144-K146 VanDerWaalsContact O-N 3.12Å; Y144-R147 WeakPolarHBondContact O-CA 3.33Å; Y144-R147 WeakPolarHBondContact O-CB 3.48Å; Y144-R147 PolarHBondContact O-N 3.15Å; Y144-S155 WeakPolarHBondContact OH-CB 3.39Å; Y144-M166 HydrophobicContact CD1-CE 4.14Å; Y144-M166 HydrophobicContact CE1-CE 3.76Å; Y144-M196 HydrophobicContact CE1-CE 4.2Å; Y144-M196 HydrophobicContact CE2-CE 4.13Å; Y144-M196 WeakPolarHBondContact OH-CE 3.42Å
145S95.7Very high95.5Very high47 Ų4735.2 Ų35.233%0.32919%0.185SC..G310 helixtrans45.3-115.6179.8-1800000112.5Q116 R147 K148Q116-S145 WeakPolarHBondContact O-CB 3.49Å; S145-R147 PolarHBondContact O-N 3.46Å; S145-R147 VanDerWaalsContact O-N 3.16Å; S145-K148 WeakPolarHBondContact O-CB 3.48Å; S145-K148 PolarHBondContact O-N 3.43Å; S145-K148 VanDerWaalsContact O-N 3.11Å
146K95.8Very high95.2Very high122 Ų12235.3 Ų35.353%0.5319%0.186SC..G310 helixtrans-64.3-17.5-179.2-66.7-173.3176.9-177.50113.5D85 M140 Y144D85-K146 VanDerWaalsContact CB-O 3.3Å; D85-K146 WeakPolarHBondContact CB-O 3.31Å; M140-K146 HydrophobicContact SD-CB 4.14Å; Y144-K146 PolarHBondContact O-N 2.72Å; Y144-K146 VanDerWaalsContact O-N 3.12Å
147R97Very high95.1Very high3 Ų335.3 Ų35.31%0.01119%0.186CC..G310 helixtrans-96.80.7179.3-61.3-179.969.5176.811.4112.7N86 I88 M140 H141 F143 Y144 S145 E173N86-R147 HydrophobicContact CB-CB 4.47Å; N86-R147 WeakPolarHBondContact CB-O 3.27Å; N86-R147 VanDerWaalsContact CG-O 3.26Å; N86-R147 PolarHBondContact O-NE 2.73Å; N86-R147 VanDerWaalsContact O-NE 3.13Å; N86-R147 PolarHBondContact O-NH2 2.88Å; N86-R147 PolarHBondContact OD1-NE 3.05Å; N86-R147 PolarHBondContact OD1-O 2.73Å; I88-R147 WeakPolarHBondContact O-CD 3.37Å; I88-R147 PolarHBondContact O-NE 3.06Å; M140-R147 HydrophobicContact CG-CG 4.44Å; M140-R147 PolarHBondContact O-NH1 2.9Å; M140-R147 HydrophobicContact SD-CG 4.09Å; H141-R147 WeakPolarHBondContact O-CD 3.45Å; F143-R147 VanDerWaalsContact CA-O 3.26Å; F143-R147 WeakPolarHBondContact CA-O 3.29Å; F143-R147 PolarHBondContact N-O 3.44Å; Y144-R147 WeakPolarHBondContact O-CA 3.33Å; Y144-R147 WeakPolarHBondContact O-CB 3.48Å; Y144-R147 PolarHBondContact O-N 3.15Å; S145-R147 PolarHBondContact O-N 3.46Å; S145-R147 VanDerWaalsContact O-N 3.16Å; R147-E173 IonicContact CZ-OE1 3.48Å; R147-E173 IonicContact CZ-OE2 3.21Å; R147-E173 IonicContact NH1-OE1 3.59Å; R147-E173 PolarHBondContact NH1-OE1 3.07Å; R147-E173 IonicContact NH1-OE2 2.76Å; R147-E173 PolarHBondContact NH1-OE2 3.43Å; R147-E173 IonicContact NH2-OE1 3.88Å; R147-E173 PolarHBondContact NH2-OE1 2.61Å; R147-E173 IonicContact NH2-OE2 3.14Å
148K95.7Very high95Very high66 Ų6635.8 Ų35.829%0.28719%0.188SC..SBendtrans-82.7129.1-175.6-172.3-178.669.8107.50110.8F143 S145 Q152 G154F143-K148 WeakPolarHBondContact O-CB 3.37Å; F143-K148 WeakPolarHBondContact O-CG 3.23Å; S145-K148 WeakPolarHBondContact O-CB 3.48Å; S145-K148 PolarHBondContact O-N 3.43Å; S145-K148 VanDerWaalsContact O-N 3.11Å; K148-Q152 HydrophobicContact CD-CB 4.49Å; K148-Q152 HydrophobicContact CG-CB 3.97Å; K148-Q152 HydrophobicContact CG-CG 4.42Å; K148-Q152 PolarHBondContact NZ-O 2.85Å; K148-G154 WeakPolarHBondContact CD-O 3.43Å
149P94.1Very high94.9Very high30 Ų3036.5 Ų36.520%0.19519%0.193CC..  trans-59147.8169-21.432.4000112.1F143 E151 Q152F143-P149 HydrophobicContact CD1-CG 3.98Å; P149-E151 VanDerWaalsContact C-N 3.29Å; P149-E151 VanDerWaalsContact CB-CD 3.46Å; P149-E151 VanDerWaalsContact CB-OE1 3.26Å; P149-E151 WeakPolarHBondContact CB-OE1 3.47Å; P149-E151 WeakPolarHBondContact CB-OE2 3.34Å; P149-E151 PolarHBondContact O-N 3.15Å; P149-Q152 HydrophobicContact CB-CB 4.31Å; P149-Q152 WeakPolarHBondContact O-CB 3.44Å; P149-Q152 PolarHBondContact O-N 2.94Å; P149-Q152 VanDerWaalsContact O-N 3.12Å
150D91.8Very high94.9Very high155 Ų15536.5 Ų36.583%0.82919%0.193SC*.THydrogen-bonded Turntrans-63.1-38.1-174.7-71.3-28.9000112Q152D150-Q152 VanDerWaalsContact C-N 3.28Å; D150-Q152 PolarHBondContact O-N 2.86Å
151E91.2Very high94.9Very high125 Ų12536.4 Ų36.458%0.58419%0.193SC*.THydrogen-bonded Turntrans-71.7-20.117970.5-79-173.400113.1P149 Q153 N158P149-E151 VanDerWaalsContact C-N 3.29Å; P149-E151 VanDerWaalsContact CB-CD 3.46Å; P149-E151 VanDerWaalsContact CB-OE1 3.26Å; P149-E151 WeakPolarHBondContact CB-OE1 3.47Å; P149-E151 WeakPolarHBondContact CB-OE2 3.34Å; P149-E151 PolarHBondContact O-N 3.15Å; E151-Q153 PolarHBondContact O-N 3.23Å; E151-N158 WeakPolarHBondContact CG-ND2 3.3Å; E151-N158 PolarHBondContact OE1-ND2 2.83Å
152Q93.9Very high94.9Very high0 Ų037.4 Ų37.40%020%0.198CC..  trans-75.1126.5-177.8-167.2-175.5-76.500111.8F143 K148 P149 D150 G154 G156 N158F143-Q152 PolarHBondContact O-NE2 2.95Å; K148-Q152 HydrophobicContact CD-CB 4.49Å; K148-Q152 HydrophobicContact CG-CB 3.97Å; K148-Q152 HydrophobicContact CG-CG 4.42Å; K148-Q152 PolarHBondContact NZ-O 2.85Å; P149-Q152 HydrophobicContact CB-CB 4.31Å; P149-Q152 WeakPolarHBondContact O-CB 3.44Å; P149-Q152 PolarHBondContact O-N 2.94Å; P149-Q152 VanDerWaalsContact O-N 3.12Å; D150-Q152 VanDerWaalsContact C-N 3.28Å; D150-Q152 PolarHBondContact O-N 2.86Å; Q152-G154 PolarHBondContact NE2-O 2.7Å; Q152-G154 VanDerWaalsContact NE2-O 3.12Å; Q152-G156 WeakPolarHBondContact CG-O 3.37Å; Q152-N158 WeakPolarHBondContact CA-OD1 3.39Å
153Q90.6Very high94.9Very high137 Ų13737.9 Ų37.964%0.6420%0.201SC*.  trans-86.8119176.4-62-57.7-34.800111L14 E151 S155 G156L14-Q153 WeakPolarHBondContact CD1-O 3.29Å; E151-Q153 PolarHBondContact O-N 3.23Å; Q153-S155 PolarHBondContact O-N 3.12Å; Q153-G156 PolarHBondContact O-N 3.23Å
154G88.5Confident94.9Very high36 Ų3638 Ų3837%0.37120%0.201SC..THydrogen-bonded Turntrans48.6-127.8179.400000113.3K148 Q152K148-G154 WeakPolarHBondContact CD-O 3.43Å; Q152-G154 PolarHBondContact NE2-O 2.7Å; Q152-G154 VanDerWaalsContact NE2-O 3.12Å
155S91.2Very high95Very high7 Ų738.2 Ų38.25%0.04920%0.202CC..THydrogen-bonded Turntrans-93.26.4175.755.10000114.3L14 F16 T113 G114 Y144 Q153 L157L14-S155 VanDerWaalsContact CD2-OG 3.29Å; L14-S155 WeakPolarHBondContact CD2-OG 3.36Å; F16-S155 WeakPolarHBondContact CE1-O 3.44Å; F16-S155 VanDerWaalsContact CZ-O 3.22Å; F16-S155 WeakPolarHBondContact CZ-O 3.47Å; T113-S155 VanDerWaalsContact CG2-OG 3.24Å; T113-S155 WeakPolarHBondContact CG2-OG 3.48Å; G114-S155 PolarHBondContact N-OG 3.06Å; Y144-S155 WeakPolarHBondContact OH-CB 3.39Å; Q153-S155 PolarHBondContact O-N 3.12Å; S155-L157 PolarHBondContact O-N 2.67Å
156G93Very high95.1Very high2 Ų236 Ų362%0.02119%0.187CC..  trans-80.397.5-176.400000108.9K15 Q152 Q153K15-G156 WeakPolarHBondContact O-CA 3.43Å; Q152-G156 WeakPolarHBondContact CG-O 3.37Å; Q153-G156 PolarHBondContact O-N 3.23Å
157L95.9Very high95.2Very high1 Ų130.5 Ų30.51%0.00516%0.164CC..  trans-58.6140.3-179.5-63.8177000110.7F16 F17 F143 S155 D162 L163 M166F16-L157 HydrophobicContact CD1-CB 4.23Å; F16-L157 HydrophobicContact CE1-CB 4.42Å; F16-L157 HydrophobicContact CE1-CG 4.27Å; F17-L157 WeakPolarHBondContact CA-O 3.41Å; F17-L157 HydrophobicContact CE1-CB 4.35Å; F17-L157 PolarHBondContact N-O 3.05Å; F143-L157 HydrophobicContact CB-CD2 3.58Å; F143-L157 HydrophobicContact CD1-CD2 4.42Å; F143-L157 HydrophobicContact CD2-CD2 4.01Å; F143-L157 HydrophobicContact CG-CD2 3.76Å; S155-L157 PolarHBondContact O-N 2.67Å; L157-D162 HydrophobicContact CB-CB 4.13Å; L157-D162 HydrophobicContact CD1-CB 4.35Å; L157-D162 HydrophobicContact CD2-CB 4.27Å; L157-D162 HydrophobicContact CG-CB 4.49Å; L157-L163 HydrophobicContact CD1-CB 3.8Å; L157-L163 HydrophobicContact CD1-CD1 3.95Å; L157-L163 HydrophobicContact CD1-CG 4.49Å; L157-M166 HydrophobicContact CD1-CE 3.9Å; L157-M166 HydrophobicContact CD2-CE 3.69Å; L157-M166 HydrophobicContact CG-CE 4.28Å
158N96.1Very high95.2Very high10 Ų1030.7 Ų30.75%0.05317%0.168CC..SBendtrans-70.9-41.1-174.3-70.9-21000111.4F17 S18 E19 E151 Q152 D162F17-N158 CarbonylContact C-O 3.6Å; F17-N158 WeakPolarHBondContact CA-O 3.15Å; S18-N158 PolarHBondContact N-O 3.39Å; S18-N158 VanDerWaalsContact N-O 3.09Å; E19-N158 WeakPolarHBondContact CA-O 3.23Å; E19-N158 HydrophobicContact CB-CB 4.24Å; E19-N158 WeakPolarHBondContact CB-O 3.33Å; E19-N158 HydrophobicContact CG-CB 3.84Å; E19-N158 PolarHBondContact N-O 2.86Å; E151-N158 WeakPolarHBondContact CG-ND2 3.3Å; E151-N158 PolarHBondContact OE1-ND2 2.83Å; Q152-N158 WeakPolarHBondContact CA-OD1 3.39Å; N158-D162 PolarHBondContact N-OD2 3.25Å
159S97.5Very high95.3Very high14 Ų1427.6 Ų27.610%0.09815%0.154CC..BIsolated β-bridgetrans-126.5156.9-179.9-65.20000113.1F17 G20 S161 D162F17-S159 VanDerWaalsContact CD1-C 3.41Å; F17-S159 WeakPolarHBondContact CD1-O 3.08Å; G20-S159 CarbonylContact O-C 3.11Å; G20-S159 WeakPolarHBondContact O-CA 3.45Å; S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 PolarHBondContact O-N 2.77Å; S159-D162 PolarHBondContact N-OD2 3.25Å; S159-D162 WeakPolarHBondContact O-CB 3.39Å; S159-D162 PolarHBondContact O-N 3.43Å
160V97.9Very high95.5Very high0 Ų026.1 Ų26.10%015%0.145CC..Hα-helixtrans-59.7-43.1174.7179.20000110.8F17 G20 W21 D162 L163 F164 L241 L432F17-V160 HydrophobicContact CB-CG2 4.05Å; F17-V160 HydrophobicContact CD1-CB 4.36Å; F17-V160 HydrophobicContact CD1-CG2 3.89Å; F17-V160 HydrophobicContact CD2-CG2 3.73Å; F17-V160 HydrophobicContact CE1-CB 4.45Å; F17-V160 HydrophobicContact CE1-CG2 4.25Å; F17-V160 HydrophobicContact CE2-CG2 4.1Å; F17-V160 HydrophobicContact CG-CG2 3.6Å; F17-V160 HydrophobicContact CZ-CG2 4.35Å; G20-V160 PolarHBondContact O-N 2.79Å; W21-V160 HydrophobicContact CE3-CB 4.17Å; W21-V160 HydrophobicContact CE3-CG1 4.39Å; W21-V160 HydrophobicContact CE3-CG2 3.78Å; W21-V160 HydrophobicContact CZ3-CG2 4.23Å; W21-V160 PolarHBondContact O-N 3.02Å; V160-D162 PolarHBondContact O-N 2.95Å; V160-L163 VanDerWaalsContact O-CB 3.29Å; V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 2.99Å; V160-F164 HydrophobicContact CG1-CE2 3.74Å; V160-F164 HydrophobicContact CG1-CZ 3.73Å; V160-L241 HydrophobicContact CG2-CD2 4.01Å; V160-L432 HydrophobicContact CG1-CD1 4.04Å; V160-L432 HydrophobicContact CG2-CD1 4.08Å
161S97.7Very high95.7Very high2 Ų219 Ų191%0.01411%0.107CC..Hα-helixtrans-58.1-29.1175.749.60000114.2W21 G22 S159 L163 F164 I165W21-S161 WeakPolarHBondContact O-CB 3.46Å; W21-S161 PolarHBondContact O-N 3.31Å; W21-S161 PolarHBondContact O-OG 3.49Å; W21-S161 VanDerWaalsContact O-OG 3.04Å; G22-S161 WeakPolarHBondContact CA-OG 3.41Å; S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 PolarHBondContact O-N 2.77Å; S161-L163 PolarHBondContact O-N 2.84Å; S161-F164 PolarHBondContact O-N 2.85Å; S161-I165 WeakPolarHBondContact O-CG1 3.11Å; S161-I165 PolarHBondContact O-N 2.85Å
162D97.5Very high96Very high22 Ų2213.4 Ų13.412%0.1188%0.08CC..Hα-helixtrans-61.1-31.8176-65.3-29.5000111.7F143 L157 N158 S159 V160 F164 M166F143-D162 HydrophobicContact CD1-CB 4.43Å; F143-D162 HydrophobicContact CD2-CB 4.49Å; F143-D162 HydrophobicContact CE1-CB 3.91Å; F143-D162 HydrophobicContact CE2-CB 4Å; F143-D162 WeakPolarHBondContact CE2-O 3.32Å; F143-D162 HydrophobicContact CZ-CB 3.68Å; L157-D162 HydrophobicContact CB-CB 4.13Å; L157-D162 HydrophobicContact CD1-CB 4.35Å; L157-D162 HydrophobicContact CD2-CB 4.27Å; L157-D162 HydrophobicContact CG-CB 4.49Å; N158-D162 PolarHBondContact N-OD2 3.25Å; S159-D162 PolarHBondContact N-OD2 3.25Å; S159-D162 WeakPolarHBondContact O-CB 3.39Å; S159-D162 PolarHBondContact O-N 3.43Å; V160-D162 PolarHBondContact O-N 2.95Å; D162-F164 VanDerWaalsContact C-N 3.33Å; D162-M166 VanDerWaalsContact O-CB 3.3Å; D162-M166 WeakPolarHBondContact O-CB 3.41Å; D162-M166 PolarHBondContact O-N 2.83Å
163L97.4Very high96.2Very high9 Ų913.4 Ų13.45%0.0478%0.08CC..Hα-helixtrans-65.4-40175.9-178.261.7000111.1F17 L157 V160 S161 M166 G167 M196 M200 F227 L436F17-L163 HydrophobicContact CZ-CD2 4.46Å; L157-L163 HydrophobicContact CD1-CB 3.8Å; L157-L163 HydrophobicContact CD1-CD1 3.95Å; L157-L163 HydrophobicContact CD1-CG 4.49Å; V160-L163 VanDerWaalsContact O-CB 3.29Å; V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 2.99Å; S161-L163 PolarHBondContact O-N 2.84Å; L163-M166 WeakPolarHBondContact O-CB 3.48Å; L163-M166 PolarHBondContact O-N 3.36Å; L163-G167 PolarHBondContact O-N 3.27Å; L163-M196 HydrophobicContact CD1-SD 4.45Å; L163-M200 HydrophobicContact CD1-CE 4.07Å; L163-F227 HydrophobicContact CD2-CD2 4.43Å; L163-F227 HydrophobicContact CD2-CE2 3.71Å; L163-F227 HydrophobicContact CD2-CZ 4.29Å; L163-L436 HydrophobicContact CD2-CD2 3.85Å
164F97.9Very high96.6Very high10 Ų106.9 Ų6.94%0.0445%0.05CC..Hα-helixtrans-75.9-38.2179.9-50.6-35.5000111.6L27 L30 V160 S161 D162 M166 G167 G168 L435 L436 F439 T440L27-F164 HydrophobicContact CD2-CD2 3.93Å; L27-F164 HydrophobicContact CD2-CE2 4.05Å; L30-F164 HydrophobicContact CD1-CB 3.87Å; L30-F164 HydrophobicContact CD1-CD2 4.34Å; L30-F164 HydrophobicContact CD2-CB 4.19Å; V160-F164 HydrophobicContact CG1-CE2 3.74Å; V160-F164 HydrophobicContact CG1-CZ 3.73Å; S161-F164 PolarHBondContact O-N 2.85Å; D162-F164 VanDerWaalsContact C-N 3.33Å; F164-M166 VanDerWaalsContact C-N 3.3Å; F164-M166 PolarHBondContact O-N 2.74Å; F164-G167 PolarHBondContact O-N 2.95Å; F164-G168 PolarHBondContact O-N 3.26Å; F164-L435 HydrophobicContact CE2-CB 4.47Å; F164-L435 HydrophobicContact CE2-CD2 4.44Å; F164-L435 HydrophobicContact CZ-CB 4.25Å; F164-L436 HydrophobicContact CE1-CD2 4.1Å; F164-L436 HydrophobicContact CZ-CD2 4.25Å; F164-F439 HydrophobicContact CB-CD1 4.26Å; F164-F439 HydrophobicContact CB-CG 4.31Å; F164-F439 HydrophobicContact CD1-CB 3.42Å; F164-F439 VanDerWaalsContact CD1-CB 3.42Å; F164-F439 HydrophobicContact CD1-CD1 4.42Å; F164-F439 AromaticContact CD1-CD2 3.97Å; F164-F439 HydrophobicContact CD1-CD2 3.97Å; F164-F439 AromaticContact CD1-CG 3.7Å; F164-F439 HydrophobicContact CD1-CG 3.7Å; F164-F439 HydrophobicContact CD2-CD1 4.45Å; F164-F439 AromaticContact CD2-CD2 3.48Å; F164-F439 HydrophobicContact CD2-CD2 3.48Å; F164-F439 VanDerWaalsContact CD2-CD2 3.48Å; F164-F439 AromaticContact CD2-CE2 3.68Å; F164-F439 HydrophobicContact CD2-CE2 3.68Å; F164-F439 AromaticContact CD2-CG 3.91Å; F164-F439 HydrophobicContact CD2-CG 3.91Å; F164-F439 HydrophobicContact CD2-CZ 4.25Å; F164-F439 HydrophobicContact CE1-CB 3.5Å; F164-F439 VanDerWaalsContact CE1-CB 3.5Å; F164-F439 AromaticContact CE1-CD2 3.87Å; F164-F439 HydrophobicContact CE1-CD2 3.87Å; F164-F439 AromaticContact CE1-CG 3.92Å; F164-F439 HydrophobicContact CE1-CG 3.92Å; F164-F439 AromaticContact CE2-CD2 3.36Å; F164-F439 HydrophobicContact CE2-CD2 3.36Å; F164-F439 AromaticContact CE2-CE2 3.73Å; F164-F439 HydrophobicContact CE2-CE2 3.73Å; F164-F439 HydrophobicContact CE2-CG 4.11Å; F164-F439 HydrophobicContact CG-CB 3.98Å; F164-F439 HydrophobicContact CG-CD1 4.14Å; F164-F439 AromaticContact CG-CD2 3.79Å; F164-F439 HydrophobicContact CG-CD2 3.79Å; F164-F439 HydrophobicContact CG-CE2 4.3Å; F164-F439 AromaticContact CG-CG 3.7Å; F164-F439 HydrophobicContact CG-CG 3.7Å; F164-F439 HydrophobicContact CZ-CB 4.09Å; F164-F439 AromaticContact CZ-CD2 3.57Å; F164-F439 HydrophobicContact CZ-CD2 3.57Å; F164-F439 HydrophobicContact CZ-CE2 4.38Å; F164-F439 HydrophobicContact CZ-CG 4.12Å; F164-T440 HydrophobicContact CE1-CG2 4.31Å
165I98.1Very high97Very high5 Ų55.5 Ų5.53%0.0264%0.035CC..Hα-helixtrans-58.6-45.2169.8-68.3166.5000109.8T26 L30 F74 A81 L82 F143 S161 G167 G168 A169T26-I165 HydrophobicContact CG2-CD1 3.95Å; L30-I165 HydrophobicContact CD1-CG1 4.26Å; L30-I165 HydrophobicContact CD2-CG1 4.25Å; F74-I165 HydrophobicContact CD1-CG2 4.49Å; F74-I165 HydrophobicContact CE1-CB 4.43Å; F74-I165 HydrophobicContact CE1-CG1 4.49Å; F74-I165 HydrophobicContact CE1-CG2 3.96Å; A81-I165 HydrophobicContact CB-CD1 4Å; A81-I165 HydrophobicContact CB-CG1 4.12Å; A81-I165 HydrophobicContact CB-CG2 4.24Å; L82-I165 HydrophobicContact CD2-CG2 3.63Å; L82-I165 HydrophobicContact CG-CG2 4.28Å; F143-I165 HydrophobicContact CE2-CB 4.21Å; F143-I165 HydrophobicContact CE2-CG2 3.91Å; F143-I165 HydrophobicContact CZ-CB 4.22Å; F143-I165 HydrophobicContact CZ-CG2 3.87Å; S161-I165 WeakPolarHBondContact O-CG1 3.11Å; S161-I165 PolarHBondContact O-N 2.85Å; I165-G167 PolarHBondContact O-N 3.16Å; I165-G168 PolarHBondContact O-N 2.94Å; I165-A169 VanDerWaalsContact O-CB 3.28Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.16Å
166M98.1Very high97.3Very high0 Ų05.3 Ų5.30%03%0.033CC..Hα-helixtrans-58.2-49176.5-174.5-166.9-67.600111.2H141 P142 F143 Y144 L157 D162 L163 F164 L170 M196 M200H141-M166 HydrophobicContact CB-CG 4.41Å; H141-M166 HydrophobicContact CB-SD 4.2Å; H141-M166 PolarHBondContact ND1-SD 2.89Å; P142-M166 HydrophobicContact CB-CB 4.35Å; P142-M166 HydrophobicContact CB-CG 4.16Å; P142-M166 HydrophobicContact CG-CB 4.48Å; P142-M166 HydrophobicContact CG-CG 4.1Å; P142-M166 WeakPolarHBondContact O-CE 3.19Å; F143-M166 HydrophobicContact CB-CE 4.36Å; F143-M166 HydrophobicContact CD2-CB 4.1Å; F143-M166 HydrophobicContact CD2-CE 4.09Å; F143-M166 HydrophobicContact CE2-CB 4.16Å; Y144-M166 HydrophobicContact CD1-CE 4.14Å; Y144-M166 HydrophobicContact CE1-CE 3.76Å; L157-M166 HydrophobicContact CD1-CE 3.9Å; L157-M166 HydrophobicContact CD2-CE 3.69Å; L157-M166 HydrophobicContact CG-CE 4.28Å; D162-M166 VanDerWaalsContact O-CB 3.3Å; D162-M166 WeakPolarHBondContact O-CB 3.41Å; D162-M166 PolarHBondContact O-N 2.83Å; L163-M166 WeakPolarHBondContact O-CB 3.48Å; L163-M166 PolarHBondContact O-N 3.36Å; F164-M166 VanDerWaalsContact C-N 3.3Å; F164-M166 PolarHBondContact O-N 2.74Å; M166-L170 HydrophobicContact CG-CD1 3.84Å; M166-L170 HydrophobicContact CG-CG 4.48Å; M166-L170 WeakPolarHBondContact O-CB 3.35Å; M166-L170 WeakPolarHBondContact O-CG 3.12Å; M166-L170 PolarHBondContact O-N 3.11Å; M166-L170 HydrophobicContact SD-CD1 4.43Å; M166-M196 HydrophobicContact CE-CE 4.23Å; M166-M196 HydrophobicContact CE-SD 4.35Å; M166-M196 HydrophobicContact SD-CE 3.69Å; M166-M196 HydrophobicContact SD-SD 3.84Å; M166-M200 HydrophobicContact CG-CE 4.34Å; M166-M200 HydrophobicContact SD-CE 3.97Å
167G97.7Very high97.5Very high6 Ų65.2 Ų5.26%0.0623%0.033CC..Hα-helixtrans-60.5-50.6178.100000112.8L163 F164 I165 A169 L170 I171L163-G167 PolarHBondContact O-N 3.27Å; F164-G167 PolarHBondContact O-N 2.95Å; I165-G167 PolarHBondContact O-N 3.16Å; G167-A169 PolarHBondContact O-N 3.39Å; G167-L170 PolarHBondContact O-N 3.5Å; G167-I171 WeakPolarHBondContact O-CG1 3.39Å; G167-I171 PolarHBondContact O-N 3.01Å
168G96.8Very high97.6Very high8 Ų85.2 Ų5.28%0.0823%0.033CC..Hα-helixtrans-59.4-43.6179.200000113F74 F164 I165 M172F74-G168 VanDerWaalsContact CD2-C 3.44Å; F164-G168 PolarHBondContact O-N 3.26Å; I165-G168 PolarHBondContact O-N 2.94Å; G168-M172 PolarHBondContact O-N 2.76Å
169A97.7Very high97.7Very high0 Ų07.9 Ų7.90%04%0.044CC..Hα-helixtrans-63.7-44.7175.600000112.2F74 L82 P142 I165 G167 I171 M172 E173F74-A169 HydrophobicContact CB-CB 3.91Å; F74-A169 HydrophobicContact CD1-CB 4.12Å; F74-A169 HydrophobicContact CG-CB 4Å; L82-A169 HydrophobicContact CD1-CB 4.2Å; P142-A169 HydrophobicContact CG-CB 3.66Å; I165-A169 VanDerWaalsContact O-CB 3.28Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.16Å; G167-A169 PolarHBondContact O-N 3.39Å; A169-I171 PolarHBondContact O-N 3.46Å; A169-M172 PolarHBondContact O-N 3.5Å; A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 WeakPolarHBondContact O-CG 3.24Å; A169-E173 PolarHBondContact O-N 2.93Å
170L98.3Very high97.6Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-64-37.7179.6-74.6171.4000113.3F110 L139 H141 P142 M166 G167 M172 E173 C174 M200 C204F110-L170 HydrophobicContact CD1-CD1 4.41Å; F110-L170 HydrophobicContact CD1-CD2 4.27Å; F110-L170 HydrophobicContact CE1-CB 4.32Å; F110-L170 HydrophobicContact CE1-CD2 4.27Å; L139-L170 HydrophobicContact CD2-CD2 3.51Å; L139-L170 HydrophobicContact CG-CD2 3.98Å; H141-L170 HydrophobicContact CB-CD1 4.49Å; P142-L170 HydrophobicContact CG-CG 4.45Å; M166-L170 HydrophobicContact CG-CD1 3.84Å; M166-L170 HydrophobicContact CG-CG 4.48Å; M166-L170 WeakPolarHBondContact O-CB 3.35Å; M166-L170 WeakPolarHBondContact O-CG 3.12Å; M166-L170 PolarHBondContact O-N 3.11Å; M166-L170 HydrophobicContact SD-CD1 4.43Å; G167-L170 PolarHBondContact O-N 3.5Å; L170-M172 VanDerWaalsContact C-N 3.33Å; L170-M172 PolarHBondContact O-N 2.8Å; L170-E173 PolarHBondContact O-N 3.32Å; L170-C174 WeakPolarHBondContact O-CB 3.44Å; L170-C174 PolarHBondContact O-N 2.93Å; L170-M200 HydrophobicContact CD1-CB 3.94Å; L170-M200 HydrophobicContact CD1-CG 3.62Å; L170-M200 HydrophobicContact CD1-SD 3.93Å; L170-C204 PolarHBondContact O-SG 2.9Å
171I97.8Very high97.6Very high5 Ų59.6 Ų9.63%0.0265%0.048CC..Hα-helixtrans-56.7-48.8174.6-71.3170000110.2F43 G167 A169 S175 L203 V207 F445F43-I171 HydrophobicContact CD2-CG2 4.39Å; F43-I171 HydrophobicContact CE2-CG2 3.63Å; F43-I171 HydrophobicContact CZ-CG2 3.75Å; G167-I171 WeakPolarHBondContact O-CG1 3.39Å; G167-I171 PolarHBondContact O-N 3.01Å; A169-I171 PolarHBondContact O-N 3.46Å; I171-S175 WeakPolarHBondContact O-CB 3.42Å; I171-S175 PolarHBondContact O-N 3.38Å; I171-S175 VanDerWaalsContact O-N 3.12Å; I171-L203 HydrophobicContact CD1-CB 4.21Å; I171-L203 HydrophobicContact CG1-CB 4.27Å; I171-V207 HydrophobicContact CG2-CB 4.33Å; I171-V207 HydrophobicContact CG2-CG1 3.89Å; I171-V207 HydrophobicContact CG2-CG2 3.6Å; I171-F445 HydrophobicContact CD1-CE1 4.39Å
172M97.1Very high97.6Very high7 Ų713 Ų133%0.0346%0.064CC..Hα-helixtrans-73.2-40.9-178.8-60.7-173.787.900113F43 V46 I48 P73 F74 V77 G168 A169 L170 S175 A176F43-M172 HydrophobicContact CE2-CG 3.95Å; F43-M172 HydrophobicContact CZ-CG 4.17Å; V46-M172 HydrophobicContact CG1-CE 4.42Å; I48-M172 HydrophobicContact CD1-CB 4.36Å; I48-M172 HydrophobicContact CD1-CE 3.92Å; I48-M172 HydrophobicContact CD1-CG 4.36Å; I48-M172 HydrophobicContact CG1-CE 3.92Å; P73-M172 HydrophobicContact CB-CB 3.95Å; P73-M172 HydrophobicContact CB-CE 3.66Å; P73-M172 HydrophobicContact CB-SD 4.11Å; P73-M172 HydrophobicContact CG-CB 4Å; F74-M172 VanDerWaalsContact CA-SD 3.59Å; F74-M172 HydrophobicContact CB-SD 3.89Å; F74-M172 HydrophobicContact CD2-SD 3.9Å; F74-M172 HydrophobicContact CG-SD 4.41Å; V77-M172 HydrophobicContact CG2-CE 3.68Å; V77-M172 HydrophobicContact CG2-SD 3.63Å; G168-M172 PolarHBondContact O-N 2.76Å; A169-M172 PolarHBondContact O-N 3.5Å; L170-M172 VanDerWaalsContact C-N 3.33Å; L170-M172 PolarHBondContact O-N 2.8Å; M172-S175 PolarHBondContact O-N 3.04Å; M172-A176 WeakPolarHBondContact O-CB 3.22Å; M172-A176 PolarHBondContact O-N 3.43Å
173E98.1Very high97.5Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-63.5-41.8177.1-72.3170.3-16300111.6F70 S72 A89 L139 R147 A169 L170 A176 L177F70-E173 HydrophobicContact CE2-CB 4.34Å; F70-E173 HydrophobicContact CE2-CG 4.07Å; F70-E173 HydrophobicContact CZ-CB 4.05Å; F70-E173 HydrophobicContact CZ-CG 4.15Å; S72-E173 WeakPolarHBondContact CB-OE1 3.48Å; S72-E173 WeakPolarHBondContact OG-CG 3.48Å; S72-E173 PolarHBondContact OG-OE1 3.03Å; A89-E173 HydrophobicContact CB-CG 3.72Å; L139-E173 HydrophobicContact CD2-CB 4.35Å; R147-E173 IonicContact CZ-OE1 3.48Å; R147-E173 IonicContact CZ-OE2 3.21Å; R147-E173 IonicContact NH1-OE1 3.59Å; R147-E173 PolarHBondContact NH1-OE1 3.07Å; R147-E173 IonicContact NH1-OE2 2.76Å; R147-E173 PolarHBondContact NH1-OE2 3.43Å; R147-E173 IonicContact NH2-OE1 3.88Å; R147-E173 PolarHBondContact NH2-OE1 2.61Å; R147-E173 IonicContact NH2-OE2 3.14Å; A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 WeakPolarHBondContact O-CG 3.24Å; A169-E173 PolarHBondContact O-N 2.93Å; L170-E173 PolarHBondContact O-N 3.32Å; E173-A176 PolarHBondContact O-N 2.87Å; E173-L177 WeakPolarHBondContact O-CG 3.34Å; E173-L177 PolarHBondContact O-N 3.11Å
174C98.4Very high97.4Very high1 Ų122.9 Ų22.91%0.00711%0.111CC..Hα-helixtrans-63.5-45.8174.6-176.60000111.2F110 L170 A176 L177 L178 C204F110-C174 HydrophobicContact CE1-CB 4.43Å; F110-C174 HydrophobicContact CZ-CB 3.94Å; L170-C174 WeakPolarHBondContact O-CB 3.44Å; L170-C174 PolarHBondContact O-N 2.93Å; C174-A176 VanDerWaalsContact C-N 3.32Å; C174-A176 PolarHBondContact O-N 3.36Å; C174-L177 PolarHBondContact O-N 2.9Å; C174-L178 WeakPolarHBondContact O-CB 3.48Å; C174-L178 WeakPolarHBondContact O-CG 3.28Å; C174-L178 PolarHBondContact O-N 2.94Å; C174-C204 HydrophobicContact CB-CB 3.98Å
175S97.2Very high97.4Very high6 Ų624.6 Ų24.64%0.04213%0.132CC..Hα-helixtrans-58.9-43.3177-170.80000112I171 M172 L178 K179I171-S175 WeakPolarHBondContact O-CB 3.42Å; I171-S175 PolarHBondContact O-N 3.38Å; I171-S175 VanDerWaalsContact O-N 3.12Å; M172-S175 PolarHBondContact O-N 3.04Å; S175-L178 PolarHBondContact O-N 3.36Å; S175-K179 WeakPolarHBondContact O-CB 3.31Å; S175-K179 WeakPolarHBondContact O-CG 3.28Å; S175-K179 PolarHBondContact O-N 2.98Å
176A97.3Very high97.4Very high3 Ų325.9 Ų25.93%0.02514%0.136CC..Hα-helixtrans-60.6-46.4175.200000112.1I48 T50 F70 M172 E173 C174 K179 W180I48-A176 HydrophobicContact CG2-CB 4.23Å; T50-A176 HydrophobicContact CG2-CB 4.22Å; T50-A176 WeakPolarHBondContact OG1-CB 3.29Å; F70-A176 HydrophobicContact CE2-CB 4.03Å; F70-A176 HydrophobicContact CZ-CB 4.36Å; M172-A176 WeakPolarHBondContact O-CB 3.22Å; M172-A176 PolarHBondContact O-N 3.43Å; E173-A176 PolarHBondContact O-N 2.87Å; C174-A176 VanDerWaalsContact C-N 3.32Å; C174-A176 PolarHBondContact O-N 3.36Å; A176-K179 PolarHBondContact O-N 3.42Å; A176-W180 WeakPolarHBondContact O-CB 3.34Å; A176-W180 PolarHBondContact O-N 2.84Å
177L98.2Very high97.3Very high0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-65.2-41.8178.4-74.7166000112.7I52 F70 F91 I108 I137 L139 E173 C174 W180 C181I52-L177 HydrophobicContact CD1-CD2 3.92Å; F70-L177 HydrophobicContact CE1-CD1 4.38Å; F70-L177 HydrophobicContact CE1-CD2 3.98Å; F70-L177 HydrophobicContact CE1-CG 4.03Å; F70-L177 HydrophobicContact CZ-CD1 4.4Å; F70-L177 HydrophobicContact CZ-CG 4.08Å; F91-L177 HydrophobicContact CD1-CD2 3.76Å; F91-L177 HydrophobicContact CD2-CD2 4.26Å; F91-L177 HydrophobicContact CE1-CD2 3.79Å; F91-L177 HydrophobicContact CE2-CD2 4.28Å; F91-L177 HydrophobicContact CG-CD2 4Å; F91-L177 HydrophobicContact CZ-CD2 4.06Å; I108-L177 HydrophobicContact CD1-CB 4.23Å; I137-L177 HydrophobicContact CD1-CD2 4.48Å; I137-L177 HydrophobicContact CG2-CD1 4.13Å; L139-L177 HydrophobicContact CD1-CD1 3.91Å; L139-L177 HydrophobicContact CD2-CD1 4.32Å; E173-L177 WeakPolarHBondContact O-CG 3.34Å; E173-L177 PolarHBondContact O-N 3.11Å; C174-L177 PolarHBondContact O-N 2.9Å; L177-W180 PolarHBondContact O-N 3.45Å; L177-C181 WeakPolarHBondContact O-CB 3.34Å; L177-C181 PolarHBondContact O-N 3.05Å; L177-C181 PolarHBondContact O-SG 2.65Å
178L97.8Very high97.4Very high2 Ų226.9 Ų26.91%0.0115%0.146CC..Hα-helixtrans-62.1-46175.8-72.9170.3000111.3I108 C174 S175 W180 C181 E182 F189 L191 W208 I212I108-L178 HydrophobicContact CD1-CD2 3.63Å; I108-L178 HydrophobicContact CD1-CG 3.77Å; I108-L178 HydrophobicContact CG1-CD2 4.47Å; C174-L178 WeakPolarHBondContact O-CB 3.48Å; C174-L178 WeakPolarHBondContact O-CG 3.28Å; C174-L178 PolarHBondContact O-N 2.94Å; S175-L178 PolarHBondContact O-N 3.36Å; L178-W180 PolarHBondContact O-N 3.05Å; L178-C181 PolarHBondContact O-N 2.76Å; L178-E182 WeakPolarHBondContact O-CB 3.4Å; L178-E182 PolarHBondContact O-N 3.03Å; L178-F189 HydrophobicContact CD2-CB 3.83Å; L178-F189 HydrophobicContact CD2-CD1 4.22Å; L178-F189 HydrophobicContact CD2-CD2 3.96Å; L178-F189 HydrophobicContact CD2-CG 3.73Å; L178-L191 HydrophobicContact CD1-CD2 4.39Å; L178-L191 HydrophobicContact CD2-CD2 4.38Å; L178-W208 HydrophobicContact CB-CD2 4.5Å; L178-W208 HydrophobicContact CB-CE3 3.97Å; L178-W208 HydrophobicContact CB-CH2 3.68Å; L178-W208 HydrophobicContact CB-CZ2 4.2Å; L178-W208 HydrophobicContact CB-CZ3 3.54Å; L178-W208 HydrophobicContact CD1-CD2 3.72Å; L178-W208 HydrophobicContact CD1-CE3 3.64Å; L178-W208 HydrophobicContact CD1-CG 4.15Å; L178-W208 HydrophobicContact CD1-CZ3 4.13Å; L178-W208 HydrophobicContact CG-CE3 4.46Å; L178-W208 HydrophobicContact CG-CZ3 4.48Å; L178-I212 HydrophobicContact CD1-CD1 3.9Å; L178-I212 HydrophobicContact CD2-CD1 4.11Å
179K96.6Very high97.4Very high65 Ų6527.1 Ų27.128%0.28314%0.144SC..Hα-helixtrans-60.8-43.5175.5-74.4176.1179.9177.40111.8S175 A176 E182 H183 W208S175-K179 WeakPolarHBondContact O-CB 3.31Å; S175-K179 WeakPolarHBondContact O-CG 3.28Å; S175-K179 PolarHBondContact O-N 2.98Å; A176-K179 PolarHBondContact O-N 3.42Å; K179-E182 PolarHBondContact O-N 3.46Å; K179-H183 PolarHBondContact O-N 3.35Å; K179-H183 PolarHBondContact O-ND1 2.92Å; K179-W208 HydrophobicContact CG-CH2 4.48Å; K179-W208 HydrophobicContact CG-CZ3 4.15Å
180W96.8Very high97.5Very high51 Ų5127.1 Ų27.119%0.19314%0.144CC..Hα-helixtrans-63.8-43.7176.8176.186.6000111.9I52 I54 M93 A176 L177 L178 E182 H183 N184I52-W180 HydrophobicContact CB-CG 4.4Å; I52-W180 HydrophobicContact CD1-CB 3.54Å; I52-W180 HydrophobicContact CD1-CD2 4.11Å; I52-W180 HydrophobicContact CD1-CG 3.58Å; I52-W180 HydrophobicContact CG1-CG 4.31Å; I54-W180 HydrophobicContact CD1-CZ2 4.18Å; M93-W180 HydrophobicContact SD-CH2 4.06Å; M93-W180 HydrophobicContact SD-CZ3 3.83Å; A176-W180 WeakPolarHBondContact O-CB 3.34Å; A176-W180 PolarHBondContact O-N 2.84Å; L177-W180 PolarHBondContact O-N 3.45Å; L178-W180 PolarHBondContact O-N 3.05Å; W180-E182 PolarHBondContact O-N 2.89Å; W180-H183 PolarHBondContact O-N 3.06Å; W180-N184 PolarHBondContact NE1-ND2 3.2Å; W180-N184 PolarHBondContact O-N 2.84Å; W180-N184 VanDerWaalsContact O-N 3.09Å; W180-N184 PolarHBondContact O-ND2 3.25Å
181C97.6Very high97.5Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-58.7-46.9173.8-82.70000111.8I137 L177 L178 H183 N184 G185 Y186 F189I137-C181 WeakPolarHBondContact CD1-SG 3.4Å; L177-C181 WeakPolarHBondContact O-CB 3.34Å; L177-C181 PolarHBondContact O-N 3.05Å; L177-C181 PolarHBondContact O-SG 2.65Å; L178-C181 PolarHBondContact O-N 2.76Å; C181-H183 PolarHBondContact O-N 3.07Å; C181-N184 CarbonylContact O-C 3.46Å; C181-N184 PolarHBondContact O-N 3.11Å; C181-N184 VanDerWaalsContact O-N 3.15Å; C181-G185 PolarHBondContact O-N 3.14Å; C181-Y186 HydrophobicContact CB-CD2 4.43Å; C181-Y186 WeakPolarHBondContact O-CB 3.47Å; C181-Y186 WeakPolarHBondContact O-CD2 3.42Å; C181-Y186 PolarHBondContact O-N 2.61Å; C181-F189 HydrophobicContact CB-CE1 3.62Å; C181-F189 HydrophobicContact CB-CZ 3.85Å
182E96.5Very high97.6Very high73 Ų7327 Ų2734%0.34114%0.144SC..Hα-helixtrans-60-46.9178.4-177165.6-117.200111.8L178 K179 W180 N184 G185 F189 K210L178-E182 WeakPolarHBondContact O-CB 3.4Å; L178-E182 PolarHBondContact O-N 3.03Å; K179-E182 PolarHBondContact O-N 3.46Å; W180-E182 PolarHBondContact O-N 2.89Å; E182-N184 PolarHBondContact O-N 2.86Å; E182-G185 PolarHBondContact O-N 3.2Å; E182-F189 HydrophobicContact CB-CE2 4.15Å; E182-F189 HydrophobicContact CB-CZ 4.07Å; E182-K210 IonicContact OE1-NZ 2.59Å; E182-K210 PolarHBondContact OE1-NZ 3.48Å; E182-K210 IonicContact OE2-NZ 2.76Å; E182-K210 PolarHBondContact OE2-NZ 2.99Å
183H95.8Very high97.6Very high161 Ų16126.7 Ų26.775%0.74514%0.142SC*.Hα-helixtrans-60.7-29.1176.2-79.880.9000113.3K179 W180 C181 G185K179-H183 PolarHBondContact O-N 3.35Å; K179-H183 PolarHBondContact O-ND1 2.92Å; W180-H183 PolarHBondContact O-N 3.06Å; C181-H183 PolarHBondContact O-N 3.07Å; H183-G185 VanDerWaalsContact C-N 3.3Å
184N96.1Very high97.5Very high78 Ų7828 Ų2842%0.41715%0.149SC..THydrogen-bonded Turntrans-91.412.8178.3-74.7-87.2000113.3R104 W180 C181 E182 Y186R104-N184 PolarHBondContact NH1-O 3.32Å; W180-N184 PolarHBondContact NE1-ND2 3.2Å; W180-N184 PolarHBondContact O-N 2.84Å; W180-N184 VanDerWaalsContact O-N 3.09Å; W180-N184 PolarHBondContact O-ND2 3.25Å; C181-N184 CarbonylContact O-C 3.46Å; C181-N184 PolarHBondContact O-N 3.11Å; C181-N184 VanDerWaalsContact O-N 3.15Å; E182-N184 PolarHBondContact O-N 2.86Å; N184-Y186 HydrophobicContact CB-CD2 3.74Å; N184-Y186 HydrophobicContact CB-CE2 3.68Å
185G97.2Very high97.3Very high46 Ų4628.7 Ų28.747%0.47415%0.153SC..THydrogen-bonded Turntrans71.630175.100000113.9R104 C181 E182 H183R104-G185 WeakPolarHBondContact CD-O 3.43Å; R104-G185 PolarHBondContact NH1-O 2.72Å; R104-G185 VanDerWaalsContact NH1-O 3.17Å; C181-G185 PolarHBondContact O-N 3.14Å; E182-G185 PolarHBondContact O-N 3.2Å; H183-G185 VanDerWaalsContact C-N 3.3Å
186Y98.2Very high97.3Very high31 Ų3129.2 Ų29.212%0.12216%0.156CC..  trans-90.8154.5168.9-64.8-89.7000110.8M93 I95 W99 R104 V106 C181 N184 F189M93-Y186 HydrophobicContact CE-CD1 3.91Å; M93-Y186 HydrophobicContact CE-CD2 4.48Å; M93-Y186 HydrophobicContact CE-CE1 3.44Å; M93-Y186 VanDerWaalsContact CE-CE1 3.44Å; M93-Y186 HydrophobicContact CE-CE2 4.11Å; M93-Y186 HydrophobicContact CE-CG 4.4Å; I95-Y186 WeakPolarHBondContact CD1-OH 3.4Å; W99-Y186 HydrophobicContact CH2-CD1 4.26Å; W99-Y186 HydrophobicContact CH2-CE1 4.32Å; W99-Y186 HydrophobicContact CZ2-CD1 4.15Å; W99-Y186 AromaticContact CZ2-CE1 3.88Å; W99-Y186 HydrophobicContact CZ2-CE1 3.88Å; R104-Y186 HydrophobicContact CB-CD1 4.02Å; R104-Y186 PolarHBondContact NH2-OH 2.86Å; R104-Y186 WeakPolarHBondContact O-CA 3.21Å; V106-Y186 HydrophobicContact CG2-CD1 3.5Å; V106-Y186 HydrophobicContact CG2-CE1 4.35Å; V106-Y186 HydrophobicContact CG2-CG 3.86Å; C181-Y186 HydrophobicContact CB-CD2 4.43Å; C181-Y186 WeakPolarHBondContact O-CB 3.47Å; C181-Y186 WeakPolarHBondContact O-CD2 3.42Å; C181-Y186 PolarHBondContact O-N 2.61Å; N184-Y186 HydrophobicContact CB-CD2 3.74Å; N184-Y186 HydrophobicContact CB-CE2 3.68Å; Y186-F189 WeakPolarHBondContact O-CZ 3.39Å
187G97.1Very high97.3Very high20 Ų2029.1 Ų29.121%0.20616%0.155CC..BIsolated β-bridgetrans150.6156.418000000112.1R104 A105R104-G187 CarbonylContact C-O 3.5Å; R104-G187 PolarHBondContact N-O 3.09Å; R104-G187 PolarHBondContact O-N 3.23Å; A105-G187 PolarHBondContact N-O 3.12Å
188P97.9Very high97.3Very high8 Ų829.1 Ų29.15%0.05216%0.155CC..SBendcis-69.7174.5-4.630.5-36.4000113.4A105 V106 L512 Q515 V516 F526A105-P188 VanDerWaalsContact CA-O 3.29Å; A105-P188 WeakPolarHBondContact CA-O 3.46Å; A105-P188 HydrophobicContact CB-CG 4.37Å; V106-P188 PolarHBondContact N-O 3.21Å; P188-L512 HydrophobicContact CB-CD2 4.38Å; P188-L512 HydrophobicContact CG-CD2 4.06Å; P188-Q515 HydrophobicContact CB-CG 4.29Å; P188-V516 HydrophobicContact CG-CG2 4.13Å; P188-F526 HydrophobicContact CG-CE2 4.18Å; P188-F526 HydrophobicContact CG-CZ 4.11Å
189F98.5Very high97.3Very high12 Ų1229.8 Ų29.85%0.05316%0.157CC..EExtended strand (participates in β ladder)trans-115.2141.1-174.3-57.4-50.7000112.8V106 L178 C181 E182 Y186 W208 I212 S213 Q515V106-F189 HydrophobicContact CB-CD1 4.12Å; V106-F189 HydrophobicContact CB-CE1 4.41Å; V106-F189 WeakPolarHBondContact O-CA 3.23Å; L178-F189 HydrophobicContact CD2-CB 3.83Å; L178-F189 HydrophobicContact CD2-CD1 4.22Å; L178-F189 HydrophobicContact CD2-CD2 3.96Å; L178-F189 HydrophobicContact CD2-CG 3.73Å; C181-F189 HydrophobicContact CB-CE1 3.62Å; C181-F189 HydrophobicContact CB-CZ 3.85Å; E182-F189 HydrophobicContact CB-CE2 4.15Å; E182-F189 HydrophobicContact CB-CZ 4.07Å; Y186-F189 WeakPolarHBondContact O-CZ 3.39Å; F189-W208 HydrophobicContact CD2-CZ2 4.29Å; F189-W208 HydrophobicContact CE2-CZ2 4.35Å; F189-I212 HydrophobicContact CB-CD1 4.13Å; F189-I212 HydrophobicContact CB-CG1 4.16Å; F189-S213 PolarHBondContact O-N 3.45Å; F189-S213 VanDerWaalsContact O-N 3.12Å; F189-Q515 PolarHBondContact O-OE1 2.97Å
190A98.8Very high97.4Very high0 Ų027.2 Ų27.20%015%0.146CC..EExtended strand (participates in β ladder)trans-122.8144168.700000111.3V106 C107 I108 S213 I215 L512V106-A190 PolarHBondContact O-N 2.81Å; C107-A190 CarbonylContact C-O 3.57Å; C107-A190 VanDerWaalsContact CA-O 3.32Å; C107-A190 WeakPolarHBondContact CA-O 3.26Å; C107-A190 HydrophobicContact CB-CB 4.1Å; I108-A190 PolarHBondContact N-O 2.84Å; A190-S213 CarbonylContact C-O 3.51Å; A190-S213 WeakPolarHBondContact CA-O 3.19Å; A190-I215 HydrophobicContact CB-CD1 3.95Å; A190-L512 HydrophobicContact CB-CD1 4.19Å; A190-L512 HydrophobicContact CB-CD2 3.86Å; A190-L512 HydrophobicContact CB-CG 4Å
191L98.9Very high97.5Very high0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-110.9129.6167.1-55.6-174.6000108.8I108 F110 L178 C204 A205 I212 S213 L214 I215I108-L191 HydrophobicContact CB-CD2 3.85Å; I108-L191 HydrophobicContact CD1-CD2 4.1Å; I108-L191 HydrophobicContact CG1-CD2 4.15Å; F110-L191 HydrophobicContact CE2-CB 4.33Å; F110-L191 HydrophobicContact CE2-CD2 4.27Å; L178-L191 HydrophobicContact CD1-CD2 4.39Å; L178-L191 HydrophobicContact CD2-CD2 4.38Å; L191-C204 HydrophobicContact CD1-CB 3.88Å; L191-A205 HydrophobicContact CD1-CB 4.02Å; L191-I212 HydrophobicContact CD1-CD1 3.8Å; L191-I212 HydrophobicContact CD2-CD1 3.93Å; L191-I212 HydrophobicContact CG-CD1 3.54Å; L191-I212 HydrophobicContact CG-CG1 4.12Å; L191-S213 PolarHBondContact N-O 3.23Å; L191-L214 HydrophobicContact CB-CD1 4.15Å; L191-I215 PolarHBondContact O-N 3.05Å
192H98.6Very high97.6Very high4 Ų424.8 Ų24.82%0.01914%0.137CC..EExtended strand (participates in β ladder)trans-139.2141.2-178.5168.165.7000110.8I108 H109 F110 L125 I215 C217 I508I108-H192 PolarHBondContact O-N 2.96Å; H109-H192 CarbonylContact C-O 3.57Å; H109-H192 VanDerWaalsContact CA-O 3.27Å; H109-H192 WeakPolarHBondContact CA-O 3.44Å; F110-H192 WeakPolarHBondContact CD2-O 3.41Å; F110-H192 PolarHBondContact N-O 2.89Å; L125-H192 WeakPolarHBondContact CD2-CD2 3.49Å; L125-H192 WeakPolarHBondContact CD2-NE2 3.37Å; H192-I215 HydrophobicContact CB-CB 4.48Å; H192-I215 PolarHBondContact ND1-O 3.29Å; H192-C217 VanDerWaalsContact CE1-SG 3.55Å; H192-I508 HydrophobicContact CB-CD1 4.08Å; H192-I508 HydrophobicContact CB-CG1 4.28Å
193G97.7Very high97.6Very high0 Ų021.8 Ų21.80%012%0.123CC..EExtended strand (participates in β ladder)trans-161.1165.5166.900000111.6G197 G198 C217G193-G197 VanDerWaalsContact CA-C 3.49Å; G193-G198 VanDerWaalsContact C-N 3.3Å; G193-G198 WeakPolarHBondContact O-CA 3.17Å; G193-C217 WeakPolarHBondContact O-CB 3.47Å; G193-C217 PolarHBondContact O-N 3.16Å
194I95.6Very high97.8Very high28 Ų2814.2 Ų14.214%0.1449%0.089CC..EExtended strand (participates in β ladder)trans-117.7137.5-179.2-56.4161.5000109G112 M196 G197 C217 L218 Y494 F504G112-I194 WeakPolarHBondContact CA-O 3.39Å; I194-M196 PolarHBondContact O-N 3.26Å; I194-G197 PolarHBondContact O-N 2.87Å; I194-C217 CarbonylContact C-O 3.52Å; I194-C217 VanDerWaalsContact CA-O 3.3Å; I194-C217 WeakPolarHBondContact CA-O 2.9Å; I194-C217 HydrophobicContact CG1-CB 4.05Å; I194-L218 HydrophobicContact CG2-CB 4.37Å; I194-L218 HydrophobicContact CG2-CD1 3.9Å; I194-L218 HydrophobicContact CG2-CG 4.28Å; I194-Y494 HydrophobicContact CD1-CD2 3.9Å; I194-Y494 HydrophobicContact CD1-CE2 3.78Å; I194-Y494 HydrophobicContact CG2-CD2 4.04Å; I194-F504 HydrophobicContact CD1-CD2 3.6Å; I194-F504 HydrophobicContact CD1-CE2 3.56Å; I194-F504 HydrophobicContact CG1-CD2 3.88Å; I194-F504 HydrophobicContact CG1-CE2 3.77Å; I194-F504 HydrophobicContact CG2-CE2 4.33Å
195S95.9Very high97.9Very high14 Ų1410.6 Ų10.610%0.0987%0.069CC..THydrogen-bonded Turntrans59.5-124177.9-166.30000110.3G197 G198 Y199 C217 L218 H490S195-G197 PolarHBondContact O-N 2.85Å; S195-G197 VanDerWaalsContact O-N 3.15Å; S195-G198 WeakPolarHBondContact O-CA 3.34Å; S195-G198 PolarHBondContact O-N 3.33Å; S195-Y199 WeakPolarHBondContact O-CD2 3.28Å; S195-Y199 PolarHBondContact O-N 3.26Å; S195-C217 PolarHBondContact N-O 2.73Å; S195-L218 WeakPolarHBondContact CA-O 3.32Å; S195-H490 VanDerWaalsContact CB-NE2 3.28Å; S195-H490 WeakPolarHBondContact CB-NE2 3.36Å; S195-H490 PolarHBondContact OG-CE1 2.79Å; S195-H490 PolarHBondContact OG-NE2 2.51Å
196M96.5Very high97.9Very high18 Ų188.6 Ų8.69%0.0895%0.048CC..Hα-helixtrans-47.5-40.8170.4-169.7-177.66900112.6H141 Y144 L163 M166 I194 G198 Y199 M200H141-M196 WeakPolarHBondContact ND1-CE 3.31Å; Y144-M196 HydrophobicContact CE1-CE 4.2Å; Y144-M196 HydrophobicContact CE2-CE 4.13Å; Y144-M196 WeakPolarHBondContact OH-CE 3.42Å; L163-M196 HydrophobicContact CD1-SD 4.45Å; M166-M196 HydrophobicContact CE-CE 4.23Å; M166-M196 HydrophobicContact CE-SD 4.35Å; M166-M196 HydrophobicContact SD-CE 3.69Å; M166-M196 HydrophobicContact SD-SD 3.84Å; I194-M196 PolarHBondContact O-N 3.26Å; M196-G198 VanDerWaalsContact C-N 3.27Å; M196-G198 PolarHBondContact O-N 3.41Å; M196-Y199 WeakPolarHBondContact O-CB 3.48Å; M196-Y199 PolarHBondContact O-N 3.33Å; M196-M200 HydrophobicContact CG-CE 4.15Å; M196-M200 WeakPolarHBondContact O-CG 3.49Å; M196-M200 PolarHBondContact O-N 3.13Å
197G97.7Very high97.8Very high0 Ų07.2 Ų7.20%04%0.043CC..Hα-helixtrans-65-29.9177.100000113.3F110 S111 G193 I194 S195 M200 S201F110-G197 WeakPolarHBondContact CB-O 3.45Å; S111-G197 VanDerWaalsContact O-CA 3.28Å; S111-G197 WeakPolarHBondContact O-CA 3.28Å; S111-G197 PolarHBondContact O-N 2.64Å; S111-G197 VanDerWaalsContact O-N 3.12Å; G193-G197 VanDerWaalsContact CA-C 3.49Å; I194-G197 PolarHBondContact O-N 2.87Å; S195-G197 PolarHBondContact O-N 2.85Å; S195-G197 VanDerWaalsContact O-N 3.15Å; G197-M200 PolarHBondContact O-N 3.46Å; G197-S201 WeakPolarHBondContact O-CB 3.17Å; G197-S201 PolarHBondContact O-N 3.38Å; G197-S201 PolarHBondContact O-OG 3.08Å
198G98.1Very high97.8Very high0 Ų06.5 Ų6.50%03%0.034CC..Hα-helixtrans-64.4-47174.100000111.3G193 S195 M196 M200 S201 A202 S219G193-G198 VanDerWaalsContact C-N 3.3Å; G193-G198 WeakPolarHBondContact O-CA 3.17Å; S195-G198 WeakPolarHBondContact O-CA 3.34Å; S195-G198 PolarHBondContact O-N 3.33Å; M196-G198 VanDerWaalsContact C-N 3.27Å; M196-G198 PolarHBondContact O-N 3.41Å; G198-M200 PolarHBondContact O-N 3.34Å; G198-S201 PolarHBondContact O-N 3.1Å; G198-S201 PolarHBondContact O-OG 3.47Å; G198-A202 PolarHBondContact O-N 3.34Å; G198-S219 WeakPolarHBondContact CA-OG 3.42Å
199Y98.1Very high97.8Very high16 Ų169.1 Ų9.16%0.0635%0.051CC..Hα-helixtrans-57.8-48.6172.4-69.4-81.7000111.7S195 M196 S201 A202 L203 W220 S222 V226 V465S195-Y199 WeakPolarHBondContact O-CD2 3.28Å; S195-Y199 PolarHBondContact O-N 3.26Å; M196-Y199 WeakPolarHBondContact O-CB 3.48Å; M196-Y199 PolarHBondContact O-N 3.33Å; Y199-S201 PolarHBondContact O-N 2.85Å; Y199-A202 WeakPolarHBondContact O-CB 3.28Å; Y199-A202 PolarHBondContact O-N 3.42Å; Y199-L203 WeakPolarHBondContact O-CG 3.15Å; Y199-L203 PolarHBondContact O-N 2.94Å; Y199-W220 WeakPolarHBondContact CD1-O 3.35Å; Y199-W220 WeakPolarHBondContact CE1-O 3.49Å; Y199-W220 VanDerWaalsContact CZ-N 3.26Å; Y199-W220 PolarHBondContact OH-N 2.72Å; Y199-S222 VanDerWaalsContact CE1-C 3.49Å; Y199-S222 WeakPolarHBondContact CE1-O 3.23Å; Y199-S222 PolarHBondContact OH-O 2.86Å; Y199-V226 HydrophobicContact CE2-CG2 4.04Å; Y199-V465 WeakPolarHBondContact OH-CG1 3.32Å
200M98.2Very high97.7Very high11 Ų1112.7 Ų12.75%0.0547%0.067CC..Hα-helixtrans-63.2-41-179.8-61.7-56.2174.200112.3F110 L163 M166 L170 M196 G197 G198 A202 L203 C204F110-M200 HydrophobicContact CB-CB 4.45Å; F110-M200 HydrophobicContact CD1-CB 3.85Å; F110-M200 HydrophobicContact CE1-CB 4.45Å; F110-M200 HydrophobicContact CG-CB 4.3Å; L163-M200 HydrophobicContact CD1-CE 4.07Å; M166-M200 HydrophobicContact CG-CE 4.34Å; M166-M200 HydrophobicContact SD-CE 3.97Å; L170-M200 HydrophobicContact CD1-CB 3.94Å; L170-M200 HydrophobicContact CD1-CG 3.62Å; L170-M200 HydrophobicContact CD1-SD 3.93Å; M196-M200 HydrophobicContact CG-CE 4.15Å; M196-M200 WeakPolarHBondContact O-CG 3.49Å; M196-M200 PolarHBondContact O-N 3.13Å; G197-M200 PolarHBondContact O-N 3.46Å; G198-M200 PolarHBondContact O-N 3.34Å; M200-A202 VanDerWaalsContact C-N 3.3Å; M200-A202 PolarHBondContact O-N 3.45Å; M200-L203 PolarHBondContact O-N 2.82Å; M200-L203 HydrophobicContact SD-CD1 4.31Å; M200-C204 PolarHBondContact O-N 2.75Å; M200-C204 PolarHBondContact O-SG 2.92Å
201S98.7Very high97.7Very high0 Ų014.1 Ų14.10%08%0.076CC..Hα-helixtrans-62.7-37.9176.571.40000112.2G197 G198 Y199 C204 A205 L214G197-S201 WeakPolarHBondContact O-CB 3.17Å; G197-S201 PolarHBondContact O-N 3.38Å; G197-S201 PolarHBondContact O-OG 3.08Å; G198-S201 PolarHBondContact O-N 3.1Å; G198-S201 PolarHBondContact O-OG 3.47Å; Y199-S201 PolarHBondContact O-N 2.85Å; S201-C204 PolarHBondContact O-N 3.25Å; S201-A205 PolarHBondContact O-N 3.15Å; S201-A205 VanDerWaalsContact O-N 3.12Å; S201-L214 WeakPolarHBondContact O-CD1 3.02Å
202A98.5Very high97.6Very high1 Ų114.6 Ų14.61%0.0088%0.078CC..Hα-helixtrans-66.8-46.9176.400000111.4G198 Y199 M200 C204 A205 T206 L214 L442G198-A202 PolarHBondContact O-N 3.34Å; Y199-A202 WeakPolarHBondContact O-CB 3.28Å; Y199-A202 PolarHBondContact O-N 3.42Å; M200-A202 VanDerWaalsContact C-N 3.3Å; M200-A202 PolarHBondContact O-N 3.45Å; A202-C204 VanDerWaalsContact C-N 3.3Å; A202-C204 PolarHBondContact O-N 2.89Å; A202-A205 WeakPolarHBondContact O-CB 3.34Å; A202-A205 PolarHBondContact O-N 3.37Å; A202-A205 VanDerWaalsContact O-N 3.14Å; A202-T206 WeakPolarHBondContact O-CG2 3.45Å; A202-T206 PolarHBondContact O-N 2.89Å; A202-L214 HydrophobicContact CB-CD2 4.34Å; A202-L442 HydrophobicContact CB-CD1 4.14Å; A202-L442 HydrophobicContact CB-CD2 3.73Å
203L98.2Very high97.7Very high9 Ų914.4 Ų14.45%0.0478%0.077CC..Hα-helixtrans-59.6-38.8174.5-67.1175.5000112.4I171 Y199 M200 A205 T206 L442 F445I171-L203 HydrophobicContact CD1-CB 4.21Å; I171-L203 HydrophobicContact CG1-CB 4.27Å; Y199-L203 WeakPolarHBondContact O-CG 3.15Å; Y199-L203 PolarHBondContact O-N 2.94Å; M200-L203 PolarHBondContact O-N 2.82Å; M200-L203 HydrophobicContact SD-CD1 4.31Å; L203-A205 VanDerWaalsContact C-N 3.31Å; L203-A205 PolarHBondContact O-N 3.41Å; L203-T206 PolarHBondContact O-N 3.21Å; L203-T206 PolarHBondContact O-OG1 2.87Å; L203-L442 HydrophobicContact CD2-CD2 3.94Å; L203-L442 HydrophobicContact CG-CD2 4.42Å; L203-F445 HydrophobicContact CD2-CD1 4.21Å; L203-F445 HydrophobicContact CD2-CD2 3.76Å; L203-F445 HydrophobicContact CD2-CE1 3.91Å; L203-F445 HydrophobicContact CD2-CE2 3.42Å; L203-F445 VanDerWaalsContact CD2-CE2 3.42Å; L203-F445 HydrophobicContact CD2-CG 4.16Å; L203-F445 HydrophobicContact CD2-CZ 3.52Å
204C98.5Very high97.7Very high3 Ų314.4 Ų14.42%0.028%0.077CC..Hα-helixtrans-68-31.2177.3-66.10000112.8F110 L170 C174 L191 M200 S201 A202 T206 V207F110-C204 VanDerWaalsContact CE1-SG 3.54Å; F110-C204 HydrophobicContact CZ-CB 3.95Å; F110-C204 WeakPolarHBondContact CZ-SG 3.42Å; L170-C204 PolarHBondContact O-SG 2.9Å; C174-C204 HydrophobicContact CB-CB 3.98Å; L191-C204 HydrophobicContact CD1-CB 3.88Å; M200-C204 PolarHBondContact O-N 2.75Å; M200-C204 PolarHBondContact O-SG 2.92Å; S201-C204 PolarHBondContact O-N 3.25Å; A202-C204 VanDerWaalsContact C-N 3.3Å; A202-C204 PolarHBondContact O-N 2.89Å; C204-T206 VanDerWaalsContact C-N 3.32Å; C204-T206 PolarHBondContact O-N 3.45Å; C204-V207 WeakPolarHBondContact O-CG2 3.42Å
205A98.5Very high97.8Very high1 Ų113.1 Ų13.11%0.0087%0.071CC..Hα-helixtrans-69.9-28.6179.700000112.9L191 S201 A202 L203 V207 W208 I212 L214 V448L191-A205 HydrophobicContact CD1-CB 4.02Å; S201-A205 PolarHBondContact O-N 3.15Å; S201-A205 VanDerWaalsContact O-N 3.12Å; A202-A205 WeakPolarHBondContact O-CB 3.34Å; A202-A205 PolarHBondContact O-N 3.37Å; A202-A205 VanDerWaalsContact O-N 3.14Å; L203-A205 VanDerWaalsContact C-N 3.31Å; L203-A205 PolarHBondContact O-N 3.41Å; A205-V207 VanDerWaalsContact C-N 3.29Å; A205-V207 PolarHBondContact O-N 3.23Å; A205-W208 PolarHBondContact O-N 3.47Å; A205-I212 HydrophobicContact CB-CG2 4.28Å; A205-L214 HydrophobicContact CB-CB 4.48Å; A205-L214 HydrophobicContact CB-CD1 4.15Å; A205-L214 HydrophobicContact CB-CD2 3.73Å; A205-L214 HydrophobicContact CB-CG 4.3Å; A205-V448 HydrophobicContact CB-CG1 3.84Å
206T97.8Very high98Very high4 Ų412.6 Ų12.63%0.0257%0.067CC..Hα-helixtrans-67.4-29.5-175.964.60000112.9A202 L203 C204 F445 S446A202-T206 WeakPolarHBondContact O-CG2 3.45Å; A202-T206 PolarHBondContact O-N 2.89Å; L203-T206 PolarHBondContact O-N 3.21Å; L203-T206 PolarHBondContact O-OG1 2.87Å; C204-T206 VanDerWaalsContact C-N 3.32Å; C204-T206 PolarHBondContact O-N 3.45Å; T206-F445 HydrophobicContact CG2-CB 3.76Å; T206-S446 WeakPolarHBondContact CB-O 3.4Å; T206-S446 WeakPolarHBondContact CG2-O 3.22Å
207V97Very high98Very high3 Ų311.7 Ų11.72%0.0186%0.063CC..THydrogen-bonded Turntrans-93.1-7.4-178.6-59.20000114.1V37 F43 I171 C204 A205V37-V207 VanDerWaalsContact O-CG1 3.23Å; V37-V207 WeakPolarHBondContact O-CG1 3.35Å; F43-V207 HydrophobicContact CB-CB 4.37Å; F43-V207 HydrophobicContact CB-CG1 4.28Å; F43-V207 HydrophobicContact CD1-CB 3.57Å; F43-V207 HydrophobicContact CD1-CG1 4.17Å; F43-V207 HydrophobicContact CD1-CG2 4Å; F43-V207 HydrophobicContact CD2-CB 4.45Å; F43-V207 HydrophobicContact CD2-CG1 4.2Å; F43-V207 HydrophobicContact CE1-CB 3.88Å; F43-V207 HydrophobicContact CE1-CG2 3.75Å; F43-V207 HydrophobicContact CG-CB 3.87Å; F43-V207 HydrophobicContact CG-CG1 3.95Å; F43-V207 HydrophobicContact CZ-CB 4.44Å; F43-V207 HydrophobicContact CZ-CG2 4.12Å; I171-V207 HydrophobicContact CG2-CB 4.33Å; I171-V207 HydrophobicContact CG2-CG1 3.89Å; I171-V207 HydrophobicContact CG2-CG2 3.6Å; C204-V207 WeakPolarHBondContact O-CG2 3.42Å; A205-V207 VanDerWaalsContact C-N 3.29Å; A205-V207 PolarHBondContact O-N 3.23Å
208W97.2Very high98Very high5 Ų511.8 Ų11.82%0.0196%0.063CC..  trans-80.9127.8-178.8-175.4-114.4000110.9R40 L178 K179 F189 A205 K210 I212R40-W208 WeakPolarHBondContact CD-O 3.3Å; L178-W208 HydrophobicContact CB-CD2 4.5Å; L178-W208 HydrophobicContact CB-CE3 3.97Å; L178-W208 HydrophobicContact CB-CH2 3.68Å; L178-W208 HydrophobicContact CB-CZ2 4.2Å; L178-W208 HydrophobicContact CB-CZ3 3.54Å; L178-W208 HydrophobicContact CD1-CD2 3.72Å; L178-W208 HydrophobicContact CD1-CE3 3.64Å; L178-W208 HydrophobicContact CD1-CG 4.15Å; L178-W208 HydrophobicContact CD1-CZ3 4.13Å; L178-W208 HydrophobicContact CG-CE3 4.46Å; L178-W208 HydrophobicContact CG-CZ3 4.48Å; K179-W208 HydrophobicContact CG-CH2 4.48Å; K179-W208 HydrophobicContact CG-CZ3 4.15Å; F189-W208 HydrophobicContact CD2-CZ2 4.29Å; F189-W208 HydrophobicContact CE2-CZ2 4.35Å; A205-W208 PolarHBondContact O-N 3.47Å; W208-K210 VanDerWaalsContact C-N 3.3Å; W208-K210 HydrophobicContact CZ2-CD 4.16Å; W208-K210 PolarHBondContact O-N 3.28Å; W208-I212 HydrophobicContact CG-CD1 4.16Å
209P96.6Very high97.9Very high63 Ų6312 Ų1241%0.4097%0.065SC..SBendtrans-83.54.3-171.733.5-36.4000115.1
210K97.3Very high97.9Very high87 Ų8711.5 Ų11.538%0.3786%0.062SC..SBendtrans-126.5161-177.6-63.2172.5179.3173.30110.6E182 W208 I212E182-K210 IonicContact OE1-NZ 2.59Å; E182-K210 PolarHBondContact OE1-NZ 3.48Å; E182-K210 IonicContact OE2-NZ 2.76Å; E182-K210 PolarHBondContact OE2-NZ 2.99Å; W208-K210 VanDerWaalsContact C-N 3.3Å; W208-K210 HydrophobicContact CZ2-CD 4.16Å; W208-K210 PolarHBondContact O-N 3.28Å; K210-I212 PolarHBondContact O-N 3.05Å
211P97.5Very high97.8Very high29 Ų2911 Ų1119%0.1886%0.06CC..  trans-55.4132.9172-21.931.8000111.3I449 L453 Q515 Y519P211-I449 HydrophobicContact CG-CG2 4.07Å; P211-L453 HydrophobicContact CB-CD1 3.66Å; P211-Q515 PolarHBondContact O-NE2 3.08Å; P211-Q515 VanDerWaalsContact O-NE2 3.07Å; P211-Y519 HydrophobicContact CB-CD1 4.42Å; P211-Y519 HydrophobicContact CB-CD2 4Å; P211-Y519 HydrophobicContact CB-CE1 4Å; P211-Y519 HydrophobicContact CB-CE2 3.53Å; P211-Y519 HydrophobicContact CB-CG 4.41Å; P211-Y519 HydrophobicContact CG-CD1 3.84Å; P211-Y519 HydrophobicContact CG-CD2 4.31Å; P211-Y519 HydrophobicContact CG-CE1 3.29Å; P211-Y519 HydrophobicContact CG-CE2 3.82Å; P211-Y519 HydrophobicContact CG-CG 4.31Å; P211-Y519 WeakPolarHBondContact CG-OH 3.39Å
212I98.5Very high97.7Very high10 Ų1011 Ų115%0.0516%0.06CC..  trans-143.8133.3-177.6-167.2160.3000110.3L178 F189 L191 A205 W208 K210 L214 L453L178-I212 HydrophobicContact CD1-CD1 3.9Å; L178-I212 HydrophobicContact CD2-CD1 4.11Å; F189-I212 HydrophobicContact CB-CD1 4.13Å; F189-I212 HydrophobicContact CB-CG1 4.16Å; L191-I212 HydrophobicContact CD1-CD1 3.8Å; L191-I212 HydrophobicContact CD2-CD1 3.93Å; L191-I212 HydrophobicContact CG-CD1 3.54Å; L191-I212 HydrophobicContact CG-CG1 4.12Å; A205-I212 HydrophobicContact CB-CG2 4.28Å; W208-I212 HydrophobicContact CG-CD1 4.16Å; K210-I212 PolarHBondContact O-N 3.05Å; I212-L214 PolarHBondContact O-N 2.97Å; I212-L453 WeakPolarHBondContact O-CB 3.42Å
213S98.8Very high97.6Very high0 Ų011.4 Ų11.40%06%0.063CC..EExtended strand (participates in β ladder)trans-67.7123.7171.8-70.30000110.3F189 A190 L191 C511 L512 Q515F189-S213 PolarHBondContact O-N 3.45Å; F189-S213 VanDerWaalsContact O-N 3.12Å; A190-S213 CarbonylContact C-O 3.51Å; A190-S213 WeakPolarHBondContact CA-O 3.19Å; L191-S213 PolarHBondContact N-O 3.23Å; S213-C511 VanDerWaalsContact CA-SG 3.56Å; S213-C511 WeakPolarHBondContact CB-SG 3.2Å; S213-C511 VanDerWaalsContact OG-C 3.22Å; S213-C511 PolarHBondContact OG-O 3.24Å; S213-C511 PolarHBondContact OG-SG 2.67Å; S213-L512 WeakPolarHBondContact OG-CA 3.26Å; S213-L512 PolarHBondContact OG-N 2.76Å; S213-Q515 PolarHBondContact OG-OE1 3.42Å; S213-Q515 VanDerWaalsContact OG-OE1 3.08Å
214L98.8Very high97.5Very high1 Ų111 Ų111%0.0056%0.061CC..EExtended strand (participates in β ladder)trans-120.4120.6-179.6173.859000110.1L191 S201 A202 A205 I212 P216 V448 L453 V454 L455L191-L214 HydrophobicContact CB-CD1 4.15Å; S201-L214 WeakPolarHBondContact O-CD1 3.02Å; A202-L214 HydrophobicContact CB-CD2 4.34Å; A205-L214 HydrophobicContact CB-CB 4.48Å; A205-L214 HydrophobicContact CB-CD1 4.15Å; A205-L214 HydrophobicContact CB-CD2 3.73Å; A205-L214 HydrophobicContact CB-CG 4.3Å; I212-L214 PolarHBondContact O-N 2.97Å; L214-P216 HydrophobicContact CD1-CG 4.41Å; L214-P216 HydrophobicContact CG-CG 4.19Å; L214-P216 WeakPolarHBondContact O-CD 3.4Å; L214-V448 HydrophobicContact CD2-CG1 4.27Å; L214-L453 PolarHBondContact N-O 3.22Å; L214-V454 HydrophobicContact CB-CG2 4.23Å; L214-V454 HydrophobicContact CD2-CG1 4.15Å; L214-V454 HydrophobicContact CD2-CG2 4.13Å; L214-V454 HydrophobicContact CG-CG1 4.32Å; L214-V454 WeakPolarHBondContact O-CA 3.43Å; L214-L455 PolarHBondContact O-N 3.43Å
215I98.6Very high97.3Very high0 Ų010.8 Ų10.80%06%0.06CC..EExtended strand (participates in β ladder)trans-126.173.3-176.9-50.290.6000110.4A190 L191 H192 C217 L455 A507 I508 C511A190-I215 HydrophobicContact CB-CD1 3.95Å; L191-I215 PolarHBondContact O-N 3.05Å; H192-I215 HydrophobicContact CB-CB 4.48Å; H192-I215 PolarHBondContact ND1-O 3.29Å; I215-C217 PolarHBondContact O-N 3.49Å; I215-L455 WeakPolarHBondContact CA-O 3.39Å; I215-A507 HydrophobicContact CG2-CB 3.61Å; I215-I508 HydrophobicContact CB-CG1 4.29Å; I215-I508 HydrophobicContact CD1-CB 4.5Å; I215-I508 HydrophobicContact CD1-CG1 4.12Å; I215-I508 HydrophobicContact CG1-CG1 4.18Å; I215-I508 HydrophobicContact CG2-CG1 4.33Å; I215-C511 HydrophobicContact CD1-CB 3.96Å; I215-C511 HydrophobicContact CG1-CB 3.91Å
216P98.3Very high97.1Very high3 Ų311.3 Ų11.32%0.0196%0.063CC..EExtended strand (participates in β ladder)trans-82.1117179.233.3-25.8000108.4L214 S456 V457L214-P216 HydrophobicContact CD1-CG 4.41Å; L214-P216 HydrophobicContact CG-CG 4.19Å; L214-P216 WeakPolarHBondContact O-CD 3.4Å; P216-S456 WeakPolarHBondContact CG-OG 3.44Å; P216-S456 WeakPolarHBondContact O-CA 3.47Å; P216-V457 PolarHBondContact O-N 2.93Å; P216-V457 VanDerWaalsContact O-N 3.11Å
217C97.6Very high97Very high0 Ų011.7 Ų11.70%07%0.065CC..EExtended strand (participates in β ladder)trans-104.7137.4-177.6-64.40000110.7H192 G193 I194 S195 I215 S219 V457 F504H192-C217 VanDerWaalsContact CE1-SG 3.55Å; G193-C217 WeakPolarHBondContact O-CB 3.47Å; G193-C217 PolarHBondContact O-N 3.16Å; I194-C217 CarbonylContact C-O 3.52Å; I194-C217 VanDerWaalsContact CA-O 3.3Å; I194-C217 WeakPolarHBondContact CA-O 2.9Å; I194-C217 HydrophobicContact CG1-CB 4.05Å; S195-C217 PolarHBondContact N-O 2.73Å; I215-C217 PolarHBondContact O-N 3.49Å; C217-S219 PolarHBondContact O-N 3.05Å; C217-V457 CarbonylContact C-O 3.53Å; C217-V457 WeakPolarHBondContact CA-O 3.29Å; C217-V457 HydrophobicContact CB-CB 4.36Å; C217-F504 HydrophobicContact CB-CD1 4.07Å; C217-F504 HydrophobicContact CB-CE1 3.88Å; C217-F504 HydrophobicContact CB-CE2 4.38Å; C217-F504 HydrophobicContact CB-CG 4.4Å; C217-F504 HydrophobicContact CB-CZ 4.07Å; C217-F504 WeakPolarHBondContact SG-CD1 3.26Å
218L96.6Very high96.9Very high2 Ų211.7 Ų11.71%0.017%0.065CC..SBendtrans52.437.5175.3-48.6-177.9000112.7I194 S195 V457 A459 V465 H490 A493 F504I194-L218 HydrophobicContact CG2-CB 4.37Å; I194-L218 HydrophobicContact CG2-CD1 3.9Å; I194-L218 HydrophobicContact CG2-CG 4.28Å; S195-L218 WeakPolarHBondContact CA-O 3.32Å; L218-V457 PolarHBondContact N-O 3.11Å; L218-A459 HydrophobicContact CD2-CB 3.74Å; L218-V465 WeakPolarHBondContact O-CG2 3.26Å; L218-H490 VanDerWaalsContact CB-CE1 3.46Å; L218-H490 WeakPolarHBondContact CB-CE1 3.29Å; L218-H490 WeakPolarHBondContact CD1-O 3.06Å; L218-H490 PolarHBondContact O-CE1 2.96Å; L218-H490 VanDerWaalsContact O-CE1 3.28Å; L218-A493 HydrophobicContact CD1-CB 4.09Å; L218-A493 HydrophobicContact CD2-CB 3.95Å; L218-F504 HydrophobicContact CD1-CZ 4.19Å; L218-F504 HydrophobicContact CG-CZ 4.2Å
219S97.2Very high96.6Very high5 Ų514.4 Ų14.44%0.0358%0.077CC..  trans-132.7168.917660.20000109.3G198 C217G198-S219 WeakPolarHBondContact CA-OG 3.42Å; C217-S219 PolarHBondContact O-N 3.05Å
220W96.9Very high96.4Very high4 Ų411.5 Ų11.52%0.0156%0.059CC..  trans-139-151179.6-151-108.7000110.8Y199 D276 A458 V465 R467 V470 C471 L473 I482Y199-W220 WeakPolarHBondContact CD1-O 3.35Å; Y199-W220 WeakPolarHBondContact CE1-O 3.49Å; Y199-W220 VanDerWaalsContact CZ-N 3.26Å; Y199-W220 PolarHBondContact OH-N 2.72Å; W220-D276 WeakPolarHBondContact CZ2-OD2 3.43Å; W220-A458 HydrophobicContact CZ3-CB 4.2Å; W220-V465 HydrophobicContact CB-CG1 3.64Å; W220-R467 HydrophobicContact CD2-CG 3.84Å; W220-R467 HydrophobicContact CE3-CG 4.16Å; W220-R467 HydrophobicContact CG-CG 4.17Å; W220-R467 HydrophobicContact CZ2-CG 4.35Å; W220-V470 HydrophobicContact CG-CG2 4.35Å; W220-C471 PolarHBondContact NE1-O 2.86Å; W220-L473 HydrophobicContact CD2-CD1 3.9Å; W220-L473 HydrophobicContact CD2-CG 3.78Å; W220-L473 HydrophobicContact CE3-CD1 3.37Å; W220-L473 HydrophobicContact CE3-CG 3.8Å; W220-L473 HydrophobicContact CG-CG 4.38Å; W220-L473 HydrophobicContact CH2-CB 4.19Å; W220-L473 HydrophobicContact CH2-CD1 3.99Å; W220-L473 HydrophobicContact CH2-CG 4.1Å; W220-L473 HydrophobicContact CZ2-CB 4.19Å; W220-L473 HydrophobicContact CZ2-CD1 4.45Å; W220-L473 HydrophobicContact CZ2-CG 4.08Å; W220-L473 HydrophobicContact CZ3-CB 4.46Å; W220-L473 HydrophobicContact CZ3-CD1 3.43Å; W220-L473 VanDerWaalsContact CZ3-CD1 3.43Å; W220-L473 HydrophobicContact CZ3-CG 3.96Å; W220-I482 HydrophobicContact CH2-CD1 4.01Å; W220-I482 HydrophobicContact CZ3-CG2 4.5Å
221T96.6Very high96Very high0 Ų08 Ų80%04%0.044CC..SBendtrans-81.6-27.7-173.746.10000115H441 L442 C471 L473 V476T221-H441 CarbonylContact O-C 3.58Å; T221-H441 VanDerWaalsContact O-CA 3.28Å; T221-H441 WeakPolarHBondContact O-CA 3.33Å; T221-L442 PolarHBondContact O-N 3.33Å; T221-C471 HydrophobicContact CG2-CB 4.32Å; T221-C471 WeakPolarHBondContact CG2-O 3.28Å; T221-C471 PolarHBondContact OG1-O 3.19Å; T221-L473 HydrophobicContact CG2-CD2 3.68Å; T221-L473 HydrophobicContact CG2-CG 4.21Å; T221-V476 HydrophobicContact CG2-CG2 3.78Å
222S96.7Very high95.6Very high0 Ų07 Ų70%04%0.037CC..  trans-146.7148.1-179.9177.20000112.7Y199 S224 C225 D437 T440Y199-S222 VanDerWaalsContact CE1-C 3.49Å; Y199-S222 WeakPolarHBondContact CE1-O 3.23Å; Y199-S222 PolarHBondContact OH-O 2.86Å; S222-S224 PolarHBondContact O-N 3.42Å; S222-S224 PolarHBondContact OG-N 3.36Å; S222-S224 VanDerWaalsContact OG-N 3.15Å; S222-S224 PolarHBondContact OG-OG 2.91Å; S222-S224 VanDerWaalsContact OG-OG 3.1Å; S222-C225 PolarHBondContact O-SG 3.33Å; S222-D437 VanDerWaalsContact CB-OD1 3.26Å; S222-D437 WeakPolarHBondContact CB-OD1 3.26Å; S222-D437 PolarHBondContact OG-OD1 3.33Å; S222-T440 PolarHBondContact OG-OG1 3.48Å
223A96.3Very high95.3Very high10 Ų107.3 Ų7.38%0.0834%0.04CC..THydrogen-bonded Turntrans-71.2-14.5173.600000113.2C225 V226 F227 L436 T440A223-C225 VanDerWaalsContact C-N 3.32Å; A223-C225 PolarHBondContact O-N 3.3Å; A223-V226 WeakPolarHBondContact O-CB 3.39Å; A223-V226 PolarHBondContact O-N 3.29Å; A223-F227 HydrophobicContact CB-CD2 4.4Å; A223-F227 HydrophobicContact CB-CE2 4.49Å; A223-F227 PolarHBondContact O-N 2.92Å; A223-L436 HydrophobicContact CB-CD2 4.35Å; A223-T440 HydrophobicContact CB-CG2 3.97Å; A223-T440 WeakPolarHBondContact CB-OG1 3.33Å; A223-T440 PolarHBondContact N-OG1 2.91Å
224S96.6Very high94.9Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-56.5-44.2179.763.80000112.1S222 V226 F227 L228 D437S222-S224 PolarHBondContact O-N 3.42Å; S222-S224 PolarHBondContact OG-N 3.36Å; S222-S224 VanDerWaalsContact OG-N 3.15Å; S222-S224 PolarHBondContact OG-OG 2.91Å; S222-S224 VanDerWaalsContact OG-OG 3.1Å; S224-V226 PolarHBondContact O-N 3.33Å; S224-V226 VanDerWaalsContact O-N 3.15Å; S224-F227 PolarHBondContact O-N 2.92Å; S224-L228 WeakPolarHBondContact O-CB 3.37Å; S224-L228 VanDerWaalsContact O-CG 3.32Å; S224-L228 WeakPolarHBondContact O-CG 3.4Å; S224-L228 PolarHBondContact O-N 2.91Å; S224-D437 WeakPolarHBondContact CB-OD1 3.15Å; S224-D437 PolarHBondContact OG-OD1 2.88Å
225C94.5Very high94.5Very high0 Ų011.7 Ų11.70%06%0.064CC..Hα-helixtrans-59.6-28.717768.80000113.1S222 A223 E229 G230 P466 V470S222-C225 PolarHBondContact O-SG 3.33Å; A223-C225 VanDerWaalsContact C-N 3.32Å; A223-C225 PolarHBondContact O-N 3.3Å; C225-E229 PolarHBondContact O-N 3.49Å; C225-G230 PolarHBondContact O-N 3.44Å; C225-P466 HydrophobicContact CB-CG 4.29Å; C225-P466 VanDerWaalsContact CB-O 3.24Å; C225-P466 WeakPolarHBondContact CB-O 3.17Å; C225-P466 WeakPolarHBondContact O-CD 3.41Å; C225-P466 WeakPolarHBondContact O-CG 3.05Å; C225-V470 HydrophobicContact CB-CG1 3.72Å; C225-V470 HydrophobicContact CB-CG2 4.1Å
226V95.1Very high94.3Very high12 Ų1212.1 Ų12.17%0.0737%0.066CC..Hα-helixtrans-76.6-47.4-178-178.50000111.5Y199 A223 S224 L232 S233 V465Y199-V226 HydrophobicContact CE2-CG2 4.04Å; A223-V226 WeakPolarHBondContact O-CB 3.39Å; A223-V226 PolarHBondContact O-N 3.29Å; S224-V226 PolarHBondContact O-N 3.33Å; S224-V226 VanDerWaalsContact O-N 3.15Å; V226-L232 HydrophobicContact CG1-CB 4.02Å; V226-L232 HydrophobicContact CG1-CD1 3.65Å; V226-L232 HydrophobicContact CG1-CG 4.28Å; V226-S233 PolarHBondContact O-N 3.33Å; V226-V465 HydrophobicContact CG2-CG2 4.08Å
227F95.2Very high94Very high12 Ų1213.3 Ų13.35%0.0537%0.072CC..Hα-helixtrans-90.5-11.3-174.3-68.8-74.6000114.1F16 F17 L163 A223 S224 S233 V236 L436F16-F227 HydrophobicContact CB-CE1 4.38Å; F16-F227 AromaticContact CD1-CE1 3.92Å; F16-F227 HydrophobicContact CD1-CE1 3.92Å; F16-F227 HydrophobicContact CD1-CZ 4.32Å; F16-F227 HydrophobicContact CD2-CE1 4.39Å; F16-F227 HydrophobicContact CE1-CE1 4.24Å; F16-F227 HydrophobicContact CE1-CZ 4.32Å; F16-F227 AromaticContact CG-CE1 3.99Å; F16-F227 HydrophobicContact CG-CE1 3.99Å; F17-F227 AromaticContact CE2-CD1 3.82Å; F17-F227 HydrophobicContact CE2-CD1 3.82Å; F17-F227 AromaticContact CE2-CE1 3.99Å; F17-F227 HydrophobicContact CE2-CE1 3.99Å; F17-F227 HydrophobicContact CE2-CG 4.23Å; F17-F227 HydrophobicContact CZ-CD1 4.14Å; F17-F227 AromaticContact CZ-CE1 3.88Å; F17-F227 HydrophobicContact CZ-CE1 3.88Å; F17-F227 HydrophobicContact CZ-CE2 4.45Å; F17-F227 HydrophobicContact CZ-CZ 4.05Å; L163-F227 HydrophobicContact CD2-CD2 4.43Å; L163-F227 HydrophobicContact CD2-CE2 3.71Å; L163-F227 HydrophobicContact CD2-CZ 4.29Å; A223-F227 HydrophobicContact CB-CD2 4.4Å; A223-F227 HydrophobicContact CB-CE2 4.49Å; A223-F227 PolarHBondContact O-N 2.92Å; S224-F227 PolarHBondContact O-N 2.92Å; F227-S233 WeakPolarHBondContact O-CA 3.36Å; F227-S233 WeakPolarHBondContact O-CB 3.3Å; F227-V236 HydrophobicContact CB-CG2 4.26Å; F227-V236 HydrophobicContact CD1-CG2 4.05Å; F227-L436 HydrophobicContact CB-CD1 3.76Å; F227-L436 HydrophobicContact CD2-CD1 4.17Å; F227-L436 HydrophobicContact CD2-CD2 4.23Å; F227-L436 HydrophobicContact CG-CD1 4.37Å
228L94.4Very high93.9Very high3 Ų314.8 Ų14.82%0.0168%0.078CC..Hα-helixtrans-108.2-31.5179.3-61.2173.8000114S224 S233 W238 R429 L432 R433S224-L228 WeakPolarHBondContact O-CB 3.37Å; S224-L228 VanDerWaalsContact O-CG 3.32Å; S224-L228 WeakPolarHBondContact O-CG 3.4Å; S224-L228 PolarHBondContact O-N 2.91Å; L228-S233 VanDerWaalsContact C-CB 3.5Å; L228-W238 HydrophobicContact CD2-CH2 3.64Å; L228-W238 HydrophobicContact CD2-CZ2 4.16Å; L228-R429 HydrophobicContact CD2-CG 4.04Å; L228-R429 VanDerWaalsContact O-CZ 3.3Å; L228-R429 PolarHBondContact O-NH1 2.99Å; L228-R429 PolarHBondContact O-NH2 2.79Å; L228-L432 HydrophobicContact CD2-CB 4.32Å; L228-L432 HydrophobicContact CD2-CD2 3.91Å; L228-L432 HydrophobicContact CD2-CG 4.17Å; L228-R433 HydrophobicContact CD1-CB 3.41Å; L228-R433 VanDerWaalsContact CD1-CB 3.41Å; L228-R433 HydrophobicContact CD1-CG 3.76Å; L228-R433 VanDerWaalsContact CD1-CZ 3.44Å
229E91.8Very high93.8Very high62 Ų6218.8 Ų18.829%0.2911%0.106SC..THydrogen-bonded Turntrans-128.1-37.1-170.3-68.8162.5-137.600112.6C225 R433 P466 S469C225-E229 PolarHBondContact O-N 3.49Å; E229-R433 IonicContact OE1-CZ 2.87Å; E229-R433 IonicContact OE1-NH1 3.98Å; E229-R433 IonicContact OE1-NH2 2.85Å; E229-R433 PolarHBondContact OE1-NH2 3.04Å; E229-P466 HydrophobicContact CB-CG 3.65Å; E229-S469 WeakPolarHBondContact OE1-CB 3.44Å; E229-S469 PolarHBondContact OE1-OG 3.1Å; E229-S469 VanDerWaalsContact OE2-CB 3.28Å; E229-S469 WeakPolarHBondContact OE2-CB 3.46Å; E229-S469 PolarHBondContact OE2-OG 3.12Å
230G90.5Very high93.8Very high2 Ų220.3 Ų20.32%0.02112%0.115CC..SBendtrans-64169.1177.500000112C225 L232 S233 A463C225-G230 PolarHBondContact O-N 3.44Å; G230-L232 PolarHBondContact O-N 3.33Å; G230-S233 VanDerWaalsContact O-CB 3.26Å; G230-S233 WeakPolarHBondContact O-CB 3.3Å; G230-S233 PolarHBondContact O-N 3.15Å; G230-S233 PolarHBondContact O-OG 3.19Å; G230-A463 WeakPolarHBondContact CA-O 3.43Å
231I88.9Confident93.8Very high14 Ų1420.1 Ų20.17%0.07211%0.114CC..G310 helixtrans-54.7-27.9179.1-78.4172.3000112.7D5 K6 R9 S233 N234 A463 Y464D5-I231 HydrophobicContact CB-CD1 3.7Å; K6-I231 HydrophobicContact CB-CD1 4.46Å; K6-I231 HydrophobicContact CG-CD1 3.77Å; K6-I231 HydrophobicContact CG-CG1 4.44Å; R9-I231 HydrophobicContact CB-CG2 3.47Å; R9-I231 VanDerWaalsContact CB-CG2 3.47Å; R9-I231 HydrophobicContact CG-CG2 3.38Å; I231-S233 VanDerWaalsContact C-N 3.27Å; I231-S233 PolarHBondContact O-N 3.35Å; I231-N234 PolarHBondContact O-N 3.07Å; I231-N234 PolarHBondContact O-ND2 3.03Å; I231-N234 VanDerWaalsContact O-ND2 3.12Å; I231-A463 HydrophobicContact CD1-CB 3.37Å; I231-A463 HydrophobicContact CG1-CB 4.01Å; I231-A463 WeakPolarHBondContact CG1-O 3.22Å; I231-A463 PolarHBondContact N-O 3.45Å; I231-Y464 HydrophobicContact CB-CD2 4.49Å; I231-Y464 HydrophobicContact CB-CE2 4.5Å; I231-Y464 HydrophobicContact CD1-CD2 4.27Å; I231-Y464 HydrophobicContact CD1-CE2 4.14Å; I231-Y464 HydrophobicContact CG2-CE1 4.31Å; I231-Y464 HydrophobicContact CG2-CE2 4.37Å
232L89.7Confident93.8Very high7 Ų721.8 Ų21.84%0.03713%0.125CC..G310 helixtrans-72-13.3176.8-70.9-178.4000114.1F16 V226 G230 N234 T235 Y464F16-L232 HydrophobicContact CE2-CD2 4.43Å; V226-L232 HydrophobicContact CG1-CB 4.02Å; V226-L232 HydrophobicContact CG1-CD1 3.65Å; V226-L232 HydrophobicContact CG1-CG 4.28Å; G230-L232 PolarHBondContact O-N 3.33Å; L232-N234 PolarHBondContact O-N 3.12Å; L232-T235 HydrophobicContact CD2-CG2 4Å; L232-T235 VanDerWaalsContact O-CB 3.31Å; L232-T235 WeakPolarHBondContact O-CB 3.37Å; L232-T235 VanDerWaalsContact O-CG2 3.31Å; L232-T235 WeakPolarHBondContact O-CG2 3.03Å; L232-T235 PolarHBondContact O-N 2.95Å; L232-T235 PolarHBondContact O-OG1 3.07Å; L232-Y464 HydrophobicContact CD1-CD1 4.18Å; L232-Y464 HydrophobicContact CD2-CD1 4.42Å; L232-Y464 HydrophobicContact CD2-CE1 4.09Å; L232-Y464 HydrophobicContact CG-CD1 3.85Å; L232-Y464 HydrophobicContact CG-CE1 4.03Å
233S92Very high93.9Very high17 Ų1729.2 Ų29.212%0.11916%0.157CC..G310 helixtrans-60.7-27.8172.763.60000113.9V226 F227 L228 G230 I231 T235 V236 W238V226-S233 PolarHBondContact O-N 3.33Å; F227-S233 WeakPolarHBondContact O-CA 3.36Å; F227-S233 WeakPolarHBondContact O-CB 3.3Å; L228-S233 VanDerWaalsContact C-CB 3.5Å; G230-S233 VanDerWaalsContact O-CB 3.26Å; G230-S233 WeakPolarHBondContact O-CB 3.3Å; G230-S233 PolarHBondContact O-N 3.15Å; G230-S233 PolarHBondContact O-OG 3.19Å; I231-S233 VanDerWaalsContact C-N 3.27Å; I231-S233 PolarHBondContact O-N 3.35Å; S233-T235 PolarHBondContact O-N 3.26Å; S233-T235 VanDerWaalsContact O-N 3.15Å; S233-V236 PolarHBondContact O-N 2.91Å; S233-W238 PolarHBondContact O-NE1 2.95Å
234N90.2Very high93.9Very high89 Ų8931.3 Ų31.348%0.47617%0.165SC..G310 helixtrans-71.4-4.7176.2-58.5-60000113.4I231 L232I231-N234 PolarHBondContact O-N 3.07Å; I231-N234 PolarHBondContact O-ND2 3.03Å; I231-N234 VanDerWaalsContact O-ND2 3.12Å; L232-N234 PolarHBondContact O-N 3.12Å
235T90.5Very high94Very high4 Ų431.6 Ų31.63%0.02517%0.166CC..G310 helixtrans-105.5-16-173.178.30000112.1R9 L14 K15 F16 L232 S233R9-T235 VanDerWaalsContact CZ-CG2 3.43Å; L14-T235 WeakPolarHBondContact O-CB 3.39Å; K15-T235 WeakPolarHBondContact CA-O 3.38Å; F16-T235 VanDerWaalsContact CD2-OG1 3.29Å; F16-T235 WeakPolarHBondContact CD2-OG1 3.43Å; F16-T235 PolarHBondContact N-O 2.97Å; L232-T235 HydrophobicContact CD2-CG2 4Å; L232-T235 VanDerWaalsContact O-CB 3.31Å; L232-T235 WeakPolarHBondContact O-CB 3.37Å; L232-T235 VanDerWaalsContact O-CG2 3.31Å; L232-T235 WeakPolarHBondContact O-CG2 3.03Å; L232-T235 PolarHBondContact O-N 2.95Å; L232-T235 PolarHBondContact O-OG1 3.07Å; S233-T235 PolarHBondContact O-N 3.26Å; S233-T235 VanDerWaalsContact O-N 3.15Å
236V94.2Very high94.1Very high9 Ų938 Ų386%0.05519%0.191CC..BIsolated β-bridgetrans-68.1128.8178.1174.50000109.3F17 F227 S233 W238 L241 L432F17-V236 HydrophobicContact CD2-CG1 4.24Å; F17-V236 HydrophobicContact CD2-CG2 4.19Å; F17-V236 HydrophobicContact CE2-CG2 4.28Å; F227-V236 HydrophobicContact CB-CG2 4.26Å; F227-V236 HydrophobicContact CD1-CG2 4.05Å; S233-V236 PolarHBondContact O-N 2.91Å; V236-W238 VanDerWaalsContact C-N 3.29Å; V236-W238 HydrophobicContact CB-CD2 4.4Å; V236-W238 HydrophobicContact CB-CZ2 4.23Å; V236-W238 HydrophobicContact CG1-CD2 3.76Å; V236-W238 HydrophobicContact CG1-CE3 4.15Å; V236-W238 HydrophobicContact CG1-CG 4.2Å; V236-W238 HydrophobicContact CG1-CH2 4.35Å; V236-W238 HydrophobicContact CG1-CZ2 3.95Å; V236-W238 HydrophobicContact CG1-CZ3 4.42Å; V236-W238 VanDerWaalsContact O-CD1 3.27Å; V236-W238 PolarHBondContact O-N 2.93Å; V236-L241 HydrophobicContact CG1-CD1 3.47Å; V236-L241 VanDerWaalsContact CG1-CD1 3.47Å; V236-L432 HydrophobicContact CG1-CD2 4.15Å
237N93.6Very high94.2Very high27 Ų2741.7 Ų41.714%0.14422%0.218CC..  trans-79.975177.7-164.7-2000112F16 S239 V240 L241F16-N237 PolarHBondContact O-N 3.17Å; F16-N237 VanDerWaalsContact O-N 3.14Å; N237-S239 VanDerWaalsContact C-N 3.28Å; N237-S239 PolarHBondContact O-N 2.87Å; N237-S239 PolarHBondContact OD1-OG 3.36Å; N237-S239 VanDerWaalsContact OD1-OG 3.09Å; N237-V240 HydrophobicContact CB-CB 4.46Å; N237-V240 WeakPolarHBondContact ND2-CG2 3.4Å; N237-V240 PolarHBondContact O-N 3.32Å; N237-L241 PolarHBondContact O-N 3.48Å
238W95.4Very high94.3Very high31 Ų3144 Ų4412%0.11723%0.231CC..Hα-helixtrans-56.8-36.2-175.2-67.8108.6000114.1L228 S233 V236 V240 L241 T242 P424 R429 L432L228-W238 HydrophobicContact CD2-CH2 3.64Å; L228-W238 HydrophobicContact CD2-CZ2 4.16Å; S233-W238 PolarHBondContact O-NE1 2.95Å; V236-W238 VanDerWaalsContact C-N 3.29Å; V236-W238 HydrophobicContact CB-CD2 4.4Å; V236-W238 HydrophobicContact CB-CZ2 4.23Å; V236-W238 HydrophobicContact CG1-CD2 3.76Å; V236-W238 HydrophobicContact CG1-CE3 4.15Å; V236-W238 HydrophobicContact CG1-CG 4.2Å; V236-W238 HydrophobicContact CG1-CH2 4.35Å; V236-W238 HydrophobicContact CG1-CZ2 3.95Å; V236-W238 HydrophobicContact CG1-CZ3 4.42Å; V236-W238 VanDerWaalsContact O-CD1 3.27Å; V236-W238 PolarHBondContact O-N 2.93Å; W238-V240 VanDerWaalsContact C-N 3.35Å; W238-V240 PolarHBondContact O-N 3.13Å; W238-L241 HydrophobicContact CE3-CD1 4.23Å; W238-L241 HydrophobicContact CZ3-CD1 4.43Å; W238-L241 PolarHBondContact O-N 2.88Å; W238-T242 WeakPolarHBondContact O-CB 3.3Å; W238-T242 PolarHBondContact O-N 3.44Å; W238-T242 PolarHBondContact O-OG1 3.16Å; W238-P424 HydrophobicContact CB-CB 4.32Å; W238-P424 HydrophobicContact CD2-CB 3.41Å; W238-P424 VanDerWaalsContact CD2-CB 3.41Å; W238-P424 HydrophobicContact CD2-CG 4.33Å; W238-P424 HydrophobicContact CE3-CB 3.54Å; W238-P424 HydrophobicContact CG-CB 3.77Å; W238-P424 HydrophobicContact CH2-CB 4.29Å; W238-P424 HydrophobicContact CZ2-CB 4.22Å; W238-P424 HydrophobicContact CZ2-CG 4.42Å; W238-P424 HydrophobicContact CZ3-CB 4Å; W238-R429 HydrophobicContact CH2-CB 4.2Å; W238-R429 HydrophobicContact CH2-CG 4.03Å; W238-R429 HydrophobicContact CZ3-CB 4.13Å; W238-R429 HydrophobicContact CZ3-CG 4.47Å; W238-L432 HydrophobicContact CH2-CB 4.48Å; W238-L432 HydrophobicContact CH2-CD2 3.55Å; W238-L432 HydrophobicContact CZ2-CD2 4.26Å; W238-L432 HydrophobicContact CZ3-CB 4.44Å; W238-L432 HydrophobicContact CZ3-CD2 3.92Å
239S94.8Very high94.4Very high86 Ų8647.1 Ų47.160%0.60125%0.253SS*.Hα-helixtrans-65.1-38.1179.957.60000112.7N237 K243N237-S239 VanDerWaalsContact C-N 3.28Å; N237-S239 PolarHBondContact O-N 2.87Å; N237-S239 PolarHBondContact OD1-OG 3.36Å; N237-S239 VanDerWaalsContact OD1-OG 3.09Å; S239-K243 WeakPolarHBondContact O-CB 3.26Å; S239-K243 PolarHBondContact O-N 3.31Å
240V95.9Very high94.7Very high37 Ų3745.1 Ų45.122%0.22425%0.247CC..Hα-helixtrans-70.8-43.7176.5173.60000110.7N237 W238 K243 Q244N237-V240 HydrophobicContact CB-CB 4.46Å; N237-V240 WeakPolarHBondContact ND2-CG2 3.4Å; N237-V240 PolarHBondContact O-N 3.32Å; W238-V240 VanDerWaalsContact C-N 3.35Å; W238-V240 PolarHBondContact O-N 3.13Å; V240-K243 PolarHBondContact O-N 2.81Å; V240-Q244 HydrophobicContact CG1-CG 4.48Å; V240-Q244 WeakPolarHBondContact O-CG 3.43Å; V240-Q244 PolarHBondContact O-N 3.18Å
241L97.4Very high95.1Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-60.4-46.5176.8-64.8-178.3000111.7F17 G20 W21 V160 V236 N237 W238 Q244 Y245 V428 L432F17-L241 HydrophobicContact CB-CD2 4.46Å; G20-L241 VanDerWaalsContact C-CD2 3.48Å; W21-L241 HydrophobicContact CD2-CD2 3.62Å; W21-L241 HydrophobicContact CE3-CD2 4Å; W21-L241 HydrophobicContact CG-CD2 3.98Å; W21-L241 HydrophobicContact CH2-CB 4.46Å; W21-L241 HydrophobicContact CH2-CD1 4.29Å; W21-L241 HydrophobicContact CH2-CD2 4.42Å; W21-L241 HydrophobicContact CZ2-CB 3.73Å; W21-L241 HydrophobicContact CZ2-CD1 4.36Å; W21-L241 HydrophobicContact CZ2-CD2 4.07Å; W21-L241 HydrophobicContact CZ2-CG 4.27Å; W21-L241 HydrophobicContact CZ3-CD2 4.38Å; W21-L241 PolarHBondContact NE1-O 2.59Å; V160-L241 HydrophobicContact CG2-CD2 4.01Å; V236-L241 HydrophobicContact CG1-CD1 3.47Å; V236-L241 VanDerWaalsContact CG1-CD1 3.47Å; N237-L241 PolarHBondContact O-N 3.48Å; W238-L241 HydrophobicContact CE3-CD1 4.23Å; W238-L241 HydrophobicContact CZ3-CD1 4.43Å; W238-L241 PolarHBondContact O-N 2.88Å; L241-Q244 PolarHBondContact O-N 2.85Å; L241-Y245 WeakPolarHBondContact O-CB 3.22Å; L241-Y245 PolarHBondContact O-N 3.16Å; L241-V428 HydrophobicContact CB-CG1 3.98Å; L241-L432 HydrophobicContact CD1-CD2 4.29Å
242T97.3Very high95.4Very high36 Ų3646.4 Ų46.422%0.22126%0.256CS..Hα-helixtrans-61.3-46.9176.6-63.50000111.4W238 Q244 Y245 Y246 D425 V428W238-T242 WeakPolarHBondContact O-CB 3.3Å; W238-T242 PolarHBondContact O-N 3.44Å; W238-T242 PolarHBondContact O-OG1 3.16Å; T242-Q244 PolarHBondContact O-N 2.84Å; T242-Y245 PolarHBondContact O-N 3.04Å; T242-Y246 HydrophobicContact CG2-CD2 3.89Å; T242-Y246 HydrophobicContact CG2-CE2 3.88Å; T242-Y246 VanDerWaalsContact O-CD2 3.3Å; T242-Y246 WeakPolarHBondContact O-CD2 3.44Å; T242-Y246 PolarHBondContact O-N 3.36Å; T242-D425 HydrophobicContact CG2-CB 4.14Å; T242-V428 HydrophobicContact CG2-CG2 4.27Å
243K97Very high95.8Very high155 Ų15551.2 Ų51.267%0.67428%0.281SS*.Hα-helixtrans-58-49.5177.9-177.7-178.6177.5-176.50111.3S239 V240 S247S239-K243 WeakPolarHBondContact O-CB 3.26Å; S239-K243 PolarHBondContact O-N 3.31Å; V240-K243 PolarHBondContact O-N 2.81Å; K243-S247 VanDerWaalsContact O-CB 3.25Å; K243-S247 WeakPolarHBondContact O-CB 3.39Å; K243-S247 PolarHBondContact O-N 2.55Å; K243-S247 PolarHBondContact O-OG 3.15Å
244Q97.4Very high96.1Very high54 Ų5453.4 Ų53.425%0.25229%0.294SS..Hα-helixtrans-66.2-41.8-178.3-73.7-1781.100112.6E19 V240 L241 T242 Y246 S247 D248 Y251E19-Q244 PolarHBondContact O-NE2 3.18Å; V240-Q244 HydrophobicContact CG1-CG 4.48Å; V240-Q244 WeakPolarHBondContact O-CG 3.43Å; V240-Q244 PolarHBondContact O-N 3.18Å; L241-Q244 PolarHBondContact O-N 2.85Å; T242-Q244 PolarHBondContact O-N 2.84Å; Q244-Y246 VanDerWaalsContact C-N 3.31Å; Q244-Y246 PolarHBondContact O-N 3.35Å; Q244-S247 PolarHBondContact O-N 3.46Å; Q244-D248 PolarHBondContact O-N 2.88Å; Q244-D248 VanDerWaalsContact O-N 3.1Å; Q244-Y251 HydrophobicContact CB-CE2 4.31Å
245Y97.7Very high96.5Very high6 Ų649.2 Ų49.22%0.02427%0.271CS..Hα-helixtrans-57.8-43.1-179.5-173.9-100000112.3L241 T242 R256 E427 V428 F431L241-Y245 WeakPolarHBondContact O-CB 3.22Å; L241-Y245 PolarHBondContact O-N 3.16Å; T242-Y245 PolarHBondContact O-N 3.04Å; Y245-R256 PolarHBondContact OH-NH1 3.2Å; Y245-R256 VanDerWaalsContact OH-NH1 3.08Å; Y245-E427 HydrophobicContact CE1-CG 3.67Å; Y245-E427 PolarHBondContact OH-OE1 3.38Å; Y245-V428 HydrophobicContact CD1-CG2 3.93Å; Y245-V428 HydrophobicContact CG-CG2 4.13Å; Y245-F431 HydrophobicContact CD2-CB 4.42Å; Y245-F431 AromaticContact CD2-CD1 3.47Å; Y245-F431 HydrophobicContact CD2-CD1 3.47Å; Y245-F431 VanDerWaalsContact CD2-CD1 3.47Å; Y245-F431 AromaticContact CD2-CE1 3.83Å; Y245-F431 HydrophobicContact CD2-CE1 3.83Å; Y245-F431 AromaticContact CD2-CG 3.99Å; Y245-F431 HydrophobicContact CD2-CG 3.99Å; Y245-F431 HydrophobicContact CE2-CB 3.87Å; Y245-F431 AromaticContact CE2-CD1 3.43Å; Y245-F431 HydrophobicContact CE2-CD1 3.43Å; Y245-F431 VanDerWaalsContact CE2-CD1 3.43Å; Y245-F431 AromaticContact CE2-CD2 3.94Å; Y245-F431 HydrophobicContact CE2-CD2 3.94Å; Y245-F431 AromaticContact CE2-CE1 3.88Å; Y245-F431 HydrophobicContact CE2-CE1 3.88Å; Y245-F431 HydrophobicContact CE2-CE2 4.33Å; Y245-F431 AromaticContact CE2-CG 3.46Å; Y245-F431 HydrophobicContact CE2-CG 3.46Å; Y245-F431 VanDerWaalsContact CE2-CG 3.46Å; Y245-F431 HydrophobicContact CE2-CZ 4.29Å
246Y97.7Very high96.8Very high134 Ų13451.4 Ų51.453%0.52528%0.279SS..Hα-helixtrans-86.8-13.3179.4-66.6-64.3000114.2T242 Q244 D425 V428T242-Y246 HydrophobicContact CG2-CD2 3.89Å; T242-Y246 HydrophobicContact CG2-CE2 3.88Å; T242-Y246 VanDerWaalsContact O-CD2 3.3Å; T242-Y246 WeakPolarHBondContact O-CD2 3.44Å; T242-Y246 PolarHBondContact O-N 3.36Å; Q244-Y246 VanDerWaalsContact C-N 3.31Å; Q244-Y246 PolarHBondContact O-N 3.35Å; Y246-D425 WeakPolarHBondContact CE2-OD2 3.11Å; Y246-D425 PolarHBondContact OH-OD1 3.18Å; Y246-D425 PolarHBondContact OH-OD2 2.75Å; Y246-V428 HydrophobicContact CE2-CG2 3.95Å
247S97.4Very high97Very high90 Ų9054.7 Ų54.763%0.62930%0.3SS*.Hα-helixtrans-89.2-21.5177.9-58.10000113.1K243 Q244K243-S247 VanDerWaalsContact O-CB 3.25Å; K243-S247 WeakPolarHBondContact O-CB 3.39Å; K243-S247 PolarHBondContact O-N 2.55Å; K243-S247 PolarHBondContact O-OG 3.15Å; Q244-S247 PolarHBondContact O-N 3.46Å
248D97.3Very high97.2Very high61 Ų6157.1 Ų57.133%0.32631%0.311SS..  trans-132.6104.6-178.1-176.4-9.7000109.4P24 Q244 A250 Y251P24-D248 VanDerWaalsContact CG-OD2 3.27Å; P24-D248 WeakPolarHBondContact CG-OD2 3.45Å; Q244-D248 PolarHBondContact O-N 2.88Å; Q244-D248 VanDerWaalsContact O-N 3.1Å; D248-A250 PolarHBondContact O-N 3.32Å; D248-A250 VanDerWaalsContact O-N 3.11Å; D248-A250 WeakPolarHBondContact OD1-CB 3.48Å; D248-A250 PolarHBondContact OD1-N 2.77Å; D248-Y251 HydrophobicContact CB-CD2 3.96Å; D248-Y251 HydrophobicContact CB-CE2 3.83Å; D248-Y251 VanDerWaalsContact O-CD2 3.29Å; D248-Y251 WeakPolarHBondContact O-CD2 3.26Å; D248-Y251 PolarHBondContact O-N 2.88Å
249S96.6Very high97.2Very high68 Ų6855.7 Ų55.748%0.47631%0.306SS..THydrogen-bonded Turntrans-68.8-8.3-17675.50000113.1Y251 S252 D253S249-Y251 PolarHBondContact O-N 2.79Å; S249-S252 PolarHBondContact O-N 3.3Å; S249-S252 PolarHBondContact O-OG 3.41Å; S249-D253 VanDerWaalsContact CB-OD2 3.29Å; S249-D253 WeakPolarHBondContact CB-OD2 3.22Å; S249-D253 VanDerWaalsContact O-CB 3.25Å; S249-D253 WeakPolarHBondContact O-CB 3.33Å; S249-D253 PolarHBondContact O-N 3.49Å; S249-D253 PolarHBondContact OG-OD2 3.13Å
250A97.8Very high97.3Very high20 Ų2056 Ų5617%0.16530%0.297CS..Iπ-helixtrans-57.8-31.6172.100000112.1P24 D248 V254 I255P24-A250 HydrophobicContact CB-CB 3.84Å; P24-A250 HydrophobicContact CG-CB 4.04Å; D248-A250 PolarHBondContact O-N 3.32Å; D248-A250 VanDerWaalsContact O-N 3.11Å; D248-A250 WeakPolarHBondContact OD1-CB 3.48Å; D248-A250 PolarHBondContact OD1-N 2.77Å; A250-V254 WeakPolarHBondContact O-CA 3.36Å; A250-V254 WeakPolarHBondContact O-CB 3.38Å; A250-V254 PolarHBondContact O-N 2.92Å; A250-I255 PolarHBondContact O-N 3.17Å
251Y97.9Very high97.2Very high10 Ų1058.8 Ų58.84%0.03932%0.317CS..Iπ-helixtrans-67.3-47.1176.4-62.3-66.8000112.4W21 G22 P24 L27 Q244 D248 S249 I255 R256 F431W21-Y251 HydrophobicContact CB-CD1 4.24Å; W21-Y251 HydrophobicContact CB-CE1 3.46Å; W21-Y251 VanDerWaalsContact CB-CE1 3.46Å; W21-Y251 AromaticContact CD1-CZ 3.89Å; W21-Y251 HydrophobicContact CG-CD1 4.23Å; W21-Y251 AromaticContact CG-CE1 3.85Å; W21-Y251 HydrophobicContact CG-CE1 3.85Å; G22-Y251 PolarHBondContact O-OH 3.3Å; P24-Y251 HydrophobicContact CG-CE1 4.08Å; P24-Y251 HydrophobicContact CG-CE2 4.28Å; L27-Y251 HydrophobicContact CD1-CD1 4.24Å; L27-Y251 HydrophobicContact CD1-CE1 3.84Å; Q244-Y251 HydrophobicContact CB-CE2 4.31Å; D248-Y251 HydrophobicContact CB-CD2 3.96Å; D248-Y251 HydrophobicContact CB-CE2 3.83Å; D248-Y251 VanDerWaalsContact O-CD2 3.29Å; D248-Y251 WeakPolarHBondContact O-CD2 3.26Å; D248-Y251 PolarHBondContact O-N 2.88Å; S249-Y251 PolarHBondContact O-N 2.79Å; Y251-I255 HydrophobicContact CD1-CD1 3.81Å; Y251-I255 HydrophobicContact CE1-CD1 4.24Å; Y251-R256 WeakPolarHBondContact O-CB 3.48Å; Y251-R256 PolarHBondContact O-N 2.95Å; Y251-F431 HydrophobicContact CD1-CE1 4.11Å; Y251-F431 HydrophobicContact CD1-CZ 4.28Å; Y251-F431 HydrophobicContact CG-CE1 4.34Å; Y251-F431 WeakPolarHBondContact O-CE2 3.5Å
252S96.7Very high97.1Very high34 Ų3459.1 Ų59.124%0.23832%0.319CS..Iπ-helixtrans-78.4-42.7-178.358.20000113.1S249 R256S249-S252 PolarHBondContact O-N 3.3Å; S249-S252 PolarHBondContact O-OG 3.41Å; S252-R256 WeakPolarHBondContact O-CB 3.34Å
253D97.5Very high97Very high107 Ų10758.7 Ų58.757%0.57232%0.317SS*.Iπ-helixtrans-96.5-26.2-165.2-56.8-6.1000112.1S249S249-D253 VanDerWaalsContact CB-OD2 3.29Å; S249-D253 WeakPolarHBondContact CB-OD2 3.22Å; S249-D253 VanDerWaalsContact O-CB 3.25Å; S249-D253 WeakPolarHBondContact O-CB 3.33Å; S249-D253 PolarHBondContact O-N 3.49Å; S249-D253 PolarHBondContact OG-OD2 3.13Å
254V97.9Very high96.9Very high64 Ų6452.5 Ų52.539%0.38829%0.292SS..Iπ-helixtrans-112-51.2-175.6-178.50000112.1I28 A250 Q258I28-V254 HydrophobicContact CD1-CG1 4.01Å; A250-V254 WeakPolarHBondContact O-CA 3.36Å; A250-V254 WeakPolarHBondContact O-CB 3.38Å; A250-V254 PolarHBondContact O-N 2.92Å; V254-Q258 WeakPolarHBondContact O-CG 3.06Å; V254-Q258 PolarHBondContact O-NE2 2.86Å
255I98Very high96.6Very high0 Ų056.5 Ų56.50%031%0.311CS..Iπ-helixtrans-77.9-49.6-174.1-69.8166.3000111.2P24 L27 I28 I31 A250 Y251 Q258 I259 F431 L435P24-I255 HydrophobicContact CB-CD1 3.94Å; L27-I255 HydrophobicContact CB-CD1 3.86Å; L27-I255 HydrophobicContact CD1-CD1 3.87Å; I28-I255 HydrophobicContact CG1-CG1 4.08Å; I31-I255 HydrophobicContact CD1-CG2 4.06Å; A250-I255 PolarHBondContact O-N 3.17Å; Y251-I255 HydrophobicContact CD1-CD1 3.81Å; Y251-I255 HydrophobicContact CE1-CD1 4.24Å; I255-Q258 PolarHBondContact O-N 3.17Å; I255-I259 PolarHBondContact O-N 2.9Å; I255-F431 HydrophobicContact CB-CZ 4.34Å; I255-F431 HydrophobicContact CG2-CE2 4.07Å; I255-F431 HydrophobicContact CG2-CZ 3.8Å; I255-L435 HydrophobicContact CG2-CD2 4.13Å
256R97.3Very high96.3Very high51 Ų5162.3 Ų62.319%0.19234%0.337CS..Hα-helixtrans-55-44.2-176.1-174-179.5-175.1126.4-12.8113.4Y245 Y251 S252 Q258 I259 Q260 E427 F431Y245-R256 PolarHBondContact OH-NH1 3.2Å; Y245-R256 VanDerWaalsContact OH-NH1 3.08Å; Y251-R256 WeakPolarHBondContact O-CB 3.48Å; Y251-R256 PolarHBondContact O-N 2.95Å; S252-R256 WeakPolarHBondContact O-CB 3.34Å; R256-Q258 VanDerWaalsContact C-N 3.29Å; R256-Q258 PolarHBondContact O-N 3.15Å; R256-I259 VanDerWaalsContact O-CG1 3.22Å; R256-I259 WeakPolarHBondContact O-CG1 3.49Å; R256-I259 PolarHBondContact O-N 3.31Å; R256-Q260 WeakPolarHBondContact O-CG 3.46Å; R256-E427 IonicContact CZ-OE1 3.15Å; R256-E427 IonicContact CZ-OE2 2.61Å; R256-E427 IonicContact NE-OE1 3.94Å; R256-E427 IonicContact NH1-OE1 2.73Å; R256-E427 PolarHBondContact NH1-OE1 3.14Å; R256-E427 IonicContact NH1-OE2 3.56Å; R256-E427 PolarHBondContact NH1-OE2 3.49Å; R256-E427 IonicContact NH2-OE1 2.64Å; R256-E427 PolarHBondContact NH2-OE1 2.79Å; R256-E427 IonicContact NH2-OE2 3.77Å; R256-E427 PolarHBondContact NH2-OE2 2.77Å; R256-F431 HydrophobicContact CB-CD2 3.96Å; R256-F431 HydrophobicContact CB-CE2 3.73Å; R256-F431 HydrophobicContact CG-CD2 4.03Å; R256-F431 HydrophobicContact CG-CE2 4.29Å
257P97.7Very high95.9Very high77 Ų7756 Ų5650%0.531%0.312SS..Hα-helixtrans-64.3-30.6177.6-24.436.5000113.9I259P257-I259 VanDerWaalsContact C-N 3.34Å; P257-I259 PolarHBondContact O-N 3.39Å
258Q97.5Very high95.3Very high79 Ų7956.6 Ų56.637%0.36930%0.303SS..Hα-helixtrans-76.9-18.8-176.4-69.3-17865.200114.1I31 V254 I255 R256I31-Q258 HydrophobicContact CD1-CB 4.26Å; I31-Q258 HydrophobicContact CG2-CB 4.22Å; V254-Q258 WeakPolarHBondContact O-CG 3.06Å; V254-Q258 PolarHBondContact O-NE2 2.86Å; I255-Q258 PolarHBondContact O-N 3.17Å; R256-Q258 VanDerWaalsContact C-N 3.29Å; R256-Q258 PolarHBondContact O-N 3.15Å
259I96.9Very high94.3Very high0 Ų056.4 Ų56.40%030%0.304CS..THydrogen-bonded Turntrans-989.5179.963.2174.1000112.8I31 I255 R256 P257 P261 A262 F431 D434 L435 Y438I31-I259 HydrophobicContact CD1-CG2 3.58Å; I31-I259 HydrophobicContact CG1-CG2 3.95Å; I255-I259 PolarHBondContact O-N 2.9Å; R256-I259 VanDerWaalsContact O-CG1 3.22Å; R256-I259 WeakPolarHBondContact O-CG1 3.49Å; R256-I259 PolarHBondContact O-N 3.31Å; P257-I259 VanDerWaalsContact C-N 3.34Å; P257-I259 PolarHBondContact O-N 3.39Å; I259-P261 CarbonylContact O-C 3.46Å; I259-A262 VanDerWaalsContact O-CA 3.23Å; I259-A262 WeakPolarHBondContact O-CA 3.23Å; I259-A262 PolarHBondContact O-N 3.35Å; I259-F431 HydrophobicContact CD1-CD2 4.37Å; I259-F431 HydrophobicContact CD1-CE2 4.02Å; I259-D434 HydrophobicContact CD1-CB 3.8Å; I259-D434 HydrophobicContact CG1-CB 4.44Å; I259-L435 HydrophobicContact CD1-CB 4.43Å; I259-L435 HydrophobicContact CD1-CD2 3.83Å; I259-L435 HydrophobicContact CD1-CG 3.76Å; I259-L435 HydrophobicContact CG2-CD2 4.39Å; I259-Y438 HydrophobicContact CB-CD1 4.28Å; I259-Y438 HydrophobicContact CB-CD2 3.82Å; I259-Y438 HydrophobicContact CB-CE2 4.36Å; I259-Y438 HydrophobicContact CB-CG 3.77Å; I259-Y438 HydrophobicContact CG2-CD1 3.81Å; I259-Y438 HydrophobicContact CG2-CD2 4.18Å; I259-Y438 HydrophobicContact CG2-CE1 4.13Å; I259-Y438 HydrophobicContact CG2-CE2 4.46Å; I259-Y438 HydrophobicContact CG2-CG 3.84Å; I259-Y438 WeakPolarHBondContact O-CD2 3.37Å
260Q95.9Very high92.7Very high92 Ų9256.9 Ų56.943%0.4331%0.305SS..  trans-101.8140.1177.7-61.9-61.6-28.700112R256 D434R256-Q260 WeakPolarHBondContact O-CG 3.46Å; Q260-D434 VanDerWaalsContact NE2-CG 3.32Å; Q260-D434 PolarHBondContact NE2-OD2 3.29Å
261P94.9Very high90.7Very high97 Ų9763.6 Ų63.663%0.6334%0.337SS*.SBendcis-68.5140.7-13.130.3-34.6000111.4I259I259-P261 CarbonylContact O-C 3.46Å
262A95.7Very high88.2Confident7 Ų772 Ų726%0.05838%0.377CS..SBendtrans-73.8-27.3-177.900000113.8I259 D434 D437 Y438 N444I259-A262 VanDerWaalsContact O-CA 3.23Å; I259-A262 WeakPolarHBondContact O-CA 3.23Å; I259-A262 PolarHBondContact O-N 3.35Å; A262-D434 HydrophobicContact CB-CB 4.1Å; A262-D434 WeakPolarHBondContact CB-O 3.42Å; A262-D437 HydrophobicContact CB-CB 4.11Å; A262-D437 CarbonylContact O-C 3.53Å; A262-Y438 PolarHBondContact O-N 3.08Å; A262-N444 PolarHBondContact O-ND2 3.15Å
263V94.8Very high85.9Confident27 Ų2773.7 Ų73.716%0.16439%0.386CS..SBendtrans-127.3139.1179.6-178.80000109.2C267 D437V263-C267 HydrophobicContact CG1-CB 3.61Å; V263-D437 HydrophobicContact CG2-CB 3.62Å
264P93.4Very high83.4Confident25 Ų2571.6 Ų71.616%0.16238%0.38CS..  trans-67151.9176.9-16.731.6000111.9F266 C267 K268 G443 N444P264-F266 VanDerWaalsContact C-N 3.32Å; P264-F266 HydrophobicContact CB-CD1 3.67Å; P264-F266 HydrophobicContact CB-CE1 3.41Å; P264-F266 VanDerWaalsContact CB-CE1 3.41Å; P264-F266 HydrophobicContact CB-CZ 4.29Å; P264-F266 HydrophobicContact CG-CE1 3.96Å; P264-F266 HydrophobicContact CG-CZ 4.45Å; P264-F266 PolarHBondContact O-N 3.12Å; P264-C267 PolarHBondContact O-N 3.25Å; P264-K268 PolarHBondContact O-N 3.08Å; P264-G443 WeakPolarHBondContact CG-O 3.29Å; P264-N444 WeakPolarHBondContact CD-OD1 3.47Å; P264-N444 VanDerWaalsContact CG-OD1 3.23Å; P264-N444 WeakPolarHBondContact CG-OD1 3.43Å
265E92.1Very high80.9Confident137 Ų13773.6 Ų73.664%0.6439%0.389SS*.G310 helixtrans-53.7-44.8-176.3-162.463.9-146.600113.4C267 K268E265-C267 PolarHBondContact O-N 3Å; E265-C267 VanDerWaalsContact O-N 3.12Å; E265-K268 WeakPolarHBondContact O-CB 3.48Å; E265-K268 PolarHBondContact O-N 3.16Å; E265-K268 VanDerWaalsContact O-N 3.09Å; E265-K268 WeakPolarHBondContact OE1-CD 3.14Å; E265-K268 IonicContact OE1-NZ 3.46Å; E265-K268 PolarHBondContact OE1-NZ 3.39Å; E265-K268 VanDerWaalsContact OE1-NZ 3.13Å; E265-K268 WeakPolarHBondContact OE2-CE 3.3Å; E265-K268 IonicContact OE2-NZ 2.69Å; E265-K268 PolarHBondContact OE2-NZ 2.86Å
266F91.4Very high78.8Confident129 Ų12975.5 Ų75.557%0.56640%0.399SS*.G310 helixtrans-67.4-12.4-178.274.6-88.7000114P264 I475P264-F266 VanDerWaalsContact C-N 3.32Å; P264-F266 HydrophobicContact CB-CD1 3.67Å; P264-F266 HydrophobicContact CB-CE1 3.41Å; P264-F266 VanDerWaalsContact CB-CE1 3.41Å; P264-F266 HydrophobicContact CB-CZ 4.29Å; P264-F266 HydrophobicContact CG-CE1 3.96Å; P264-F266 HydrophobicContact CG-CZ 4.45Å; P264-F266 PolarHBondContact O-N 3.12Å; F266-I475 HydrophobicContact CD2-CG2 3.98Å; F266-I475 HydrophobicContact CE2-CG2 4.37Å
267C90.3Very high76.5Confident2 Ų277.1 Ų77.11%0.01441%0.414CS..G310 helixtrans-102.8-2.5177-72.90000113.3V263 P264 E265 V269 H441 C471V263-C267 HydrophobicContact CG1-CB 3.61Å; P264-C267 PolarHBondContact O-N 3.25Å; E265-C267 PolarHBondContact O-N 3Å; E265-C267 VanDerWaalsContact O-N 3.12Å; C267-V269 PolarHBondContact O-N 2.71Å; C267-H441 VanDerWaalsContact CB-CE1 3.43Å; C267-H441 WeakPolarHBondContact CB-CE1 3.34Å; C267-H441 VanDerWaalsContact SG-CE1 3.51Å; C267-C471 HydrophobicContact CB-CB 4.02Å; C267-C471 WeakPolarHBondContact O-CB 3.28Å
268K84.7Confident73.9Confident101 Ų10177.1 Ų77.144%0.43941%0.41SS..  trans-64.8128.2177.3-70.8-175.3-178.6170.90109.8P264 E265 T270P264-K268 PolarHBondContact O-N 3.08Å; E265-K268 WeakPolarHBondContact O-CB 3.48Å; E265-K268 PolarHBondContact O-N 3.16Å; E265-K268 VanDerWaalsContact O-N 3.09Å; E265-K268 WeakPolarHBondContact OE1-CD 3.14Å; E265-K268 IonicContact OE1-NZ 3.46Å; E265-K268 PolarHBondContact OE1-NZ 3.39Å; E265-K268 VanDerWaalsContact OE1-NZ 3.13Å; E265-K268 WeakPolarHBondContact OE2-CE 3.3Å; E265-K268 IonicContact OE2-NZ 2.69Å; E265-K268 PolarHBondContact OE2-NZ 2.86Å; K268-T270 PolarHBondContact O-N 3.09Å; K268-T270 VanDerWaalsContact O-N 3.17Å
269V76.2Confident71Confident58 Ų5875.4 Ų75.435%0.35241%0.414SS..  trans-73.1108.2176.6-177.30000107.8C267C267-V269 PolarHBondContact O-N 2.71Å
270T63Low68.4Low78 Ų7880.4 Ų80.448%0.47944%0.44SS..  trans-85.9149.5163.4590000108.5K268 E272 T273K268-T270 PolarHBondContact O-N 3.09Å; K268-T270 VanDerWaalsContact O-N 3.17Å; T270-E272 PolarHBondContact O-N 3.24Å; T270-T273 PolarHBondContact N-OG1 3.32Å; T270-T273 PolarHBondContact O-N 2.94Å; T270-T273 PolarHBondContact O-OG1 2.87Å; T270-T273 PolarHBondContact OG1-OG1 2.88Å
271D54.1Low65.9Low160 Ų16079.5 Ų79.586%0.85643%0.433SS*.G310 helixtrans-52.4-24.7-177.9-73.6-32.1000113.1S274D271-S274 PolarHBondContact O-OG 2.99Å
272E47.2Very low63.1Low186 Ų18681.6 Ų81.687%0.86944%0.439SS*.G310 helixtrans-78.2-16-179.9-58.9-170.9162.500115.3T270T270-E272 PolarHBondContact O-N 3.24Å
273T48.3Very low60.4Low70 Ų7089.1 Ų89.143%0.42947%0.473SS..G310 helixtrans-100.64.4-173.752.30000114.6T270 N275T270-T273 PolarHBondContact N-OG1 3.32Å; T270-T273 PolarHBondContact O-N 2.94Å; T270-T273 PolarHBondContact O-OG1 2.87Å; T270-T273 PolarHBondContact OG1-OG1 2.88Å; T273-N275 VanDerWaalsContact C-N 3.29Å; T273-N275 PolarHBondContact O-N 3.19Å
274S43.5Very low57.6Low63 Ų6394.4 Ų94.444%0.44150%0.5SS..  trans-79.95.4-168.158.80000116.1D271 D276D271-S274 PolarHBondContact O-OG 2.99Å; S274-D276 PolarHBondContact O-N 2.86Å
275N46.8Very low54.6Low107 Ų10797.2 Ų97.257%0.57252%0.52SS*.  trans-103.549-171.1-78.1-25.1000115.5T273 T277T273-N275 VanDerWaalsContact C-N 3.29Å; T273-N275 PolarHBondContact O-N 3.19Å; N275-T277 PolarHBondContact O-N 3.06Å
276D53.4Low51.7Low39 Ų3995.9 Ų95.921%0.20952%0.523CS..  trans-71.653.9156.2-86.9-22.3000110.8W220 S274 S472W220-D276 WeakPolarHBondContact CZ2-OD2 3.43Å; S274-D276 PolarHBondContact O-N 2.86Å; D276-S472 WeakPolarHBondContact OD2-CB 3.32Å; D276-S472 PolarHBondContact OD2-OG 2.99Å
277T47.8Very low48.6Very low85 Ų85100.9 Ų100.952%0.52154%0.539SS..SBendtrans-105.4154170.253.10000109.3N275 G279N275-T277 PolarHBondContact O-N 3.06Å; T277-G279 PolarHBondContact O-N 3.26Å
278L43.7Very low45.7Very low77 Ų77105.8 Ų105.840%0.40357%0.568SS.*THydrogen-bonded Turntrans-51.9-11.8-171.7-163.771.9000115.4D280 Y281 L282L278-D280 VanDerWaalsContact C-N 3.31Å; L278-D280 PolarHBondContact O-N 3.05Å; L278-Y281 PolarHBondContact O-N 2.86Å; L278-L282 HydrophobicContact CD2-CD1 4.31Å; L278-L282 HydrophobicContact CG-CD1 4.35Å; L278-L282 HydrophobicContact CG-CG 4.48Å; L278-L282 PolarHBondContact O-N 3.05Å
279G37Very low43.1Very low44 Ų44107 Ų10745%0.45459%0.586SS.*Hα-helixtrans-53.1-42.1179.300000113.8T277T277-G279 PolarHBondContact O-N 3.26Å
280D42.7Very low40.8Very low104 Ų104110.1 Ų110.156%0.55661%0.606SS**Hα-helixtrans-79.2-25.9-177.2-73.5-8.1000113.3L278 N284L278-D280 VanDerWaalsContact C-N 3.31Å; L278-D280 PolarHBondContact O-N 3.05Å; D280-N284 PolarHBondContact O-N 3.46Å
281Y42.2Very low39Very low74 Ų74111.4 Ų111.429%0.2962%0.618SS.*Hα-helixtrans-77.1-24.3179.9-82.7-86.4000113.6L278 K474 F484L278-Y281 PolarHBondContact O-N 2.86Å; Y281-K474 WeakPolarHBondContact OH-CE 3.33Å; Y281-F484 HydrophobicContact CD2-CD2 4.47Å; Y281-F484 HydrophobicContact CD2-CE2 4.23Å; Y281-F484 HydrophobicContact CE2-CD2 4.35Å; Y281-F484 AromaticContact CE2-CE2 3.8Å; Y281-F484 HydrophobicContact CE2-CE2 3.8Å
282L37.3Very low37.9Very low141 Ų141109.7 Ų109.774%0.73861%0.607SS**Hα-helixtrans-82.4-19.2177.7-73171.6000113.1L278L278-L282 HydrophobicContact CD2-CD1 4.31Å; L278-L282 HydrophobicContact CG-CD1 4.35Å; L278-L282 HydrophobicContact CG-CG 4.48Å; L278-L282 PolarHBondContact O-N 3.05Å
283Q39.2Very low36.9Very low165 Ų165107.6 Ų107.677%0.77160%0.602SS**Hα-helixtrans-94.2-24.1179.1-72.6-177.7-1.900113.8
284N35Very low36Very low137 Ų137109.2 Ų109.273%0.73362%0.616SS**SBendtrans-116.920.2-172.8-72.8-26.8000116D280 P286D280-N284 PolarHBondContact O-N 3.46Å; N284-P286 VanDerWaalsContact O-CD 3.31Å; N284-P286 WeakPolarHBondContact O-CD 3.49Å
285S30.1Very low35.5Very low84 Ų84114.2 Ų114.259%0.58764%0.637SS**  trans-77.6115.5174.5-165.50000110.8R287S285-R287 PolarHBondContact O-N 3.23Å
286P31Very low34.7Very low110 Ų110118 Ų11871%0.71465%0.651SS**  trans-73.597.6172.914.3-2.1000108.2N284 T288N284-P286 VanDerWaalsContact O-CD 3.31Å; N284-P286 WeakPolarHBondContact O-CD 3.49Å; P286-T288 PolarHBondContact O-N 2.87Å
287R28Very low33.6Very low234 Ų234120.8 Ų120.888%0.88367%0.673SS**  trans-76.475.2162.4-72.8-173.9-177.1-179.93.4108.9S285S285-R287 PolarHBondContact O-N 3.23Å
288T29.5Very low32.7Very low104 Ų104125 Ų12564%0.63868%0.684SS**SBendtrans-153.1130.816422.90000109.6P286 V290P286-T288 PolarHBondContact O-N 2.87Å; T288-V290 PolarHBondContact O-N 3.04Å
289P28.5Very low32.2Very low126 Ų126130.9 Ų130.982%0.81870%0.703SS**  trans-69.4115.4170.828.9-28.4000107.5S291P289-S291 PolarHBondContact O-N 3.35Å
290V28.4Very low31.8Very low125 Ų125133.3 Ų133.376%0.75871%0.713SS**  trans-68.9101.3174.6-177.50000108.1T288 I292T288-V290 PolarHBondContact O-N 3.04Å; V290-I292 HydrophobicContact CG1-CG1 3.77Å; V290-I292 PolarHBondContact O-N 3.41Å
291S25.4Very low31.2Very low105 Ų105136.1 Ų136.173%0.73473%0.728SS**  trans-74.5100.9163.7169.80000108.1P289 N293P289-S291 PolarHBondContact O-N 3.35Å; S291-N293 PolarHBondContact O-N 3.24Å
292I30.8Very low30.6Very low124 Ų124138.1 Ų138.164%0.63675%0.75SS**  trans-81.395.4174-57.7176.1000107.8V290V290-I292 HydrophobicContact CG1-CG1 3.77Å; V290-I292 PolarHBondContact O-N 3.41Å
293N27.3Very low30.3Very low142 Ų142138.2 Ų138.276%0.75976%0.756SS**  trans-135129.1156-94.3-15.7000108S291S291-N293 PolarHBondContact O-N 3.24Å
294S29Very low29.6Very low104 Ų104137.4 Ų137.473%0.72776%0.757SS**  trans75.1107.8-175.185.20000115.1
295L32Very low29.4Very low168 Ų168137.4 Ų137.488%0.8876%0.762SS**  -176.9111.1104.3-91.4150.7000109.8
296H30.5Very low29.1Very low186 Ų186137.5 Ų137.586%0.86177%0.767SS**  trans-70.1150.2166.3-114.2-64.1000110.2
297S31.3Very low28.8Very low97 Ų97137.5 Ų137.568%0.67877%0.77SS**  trans94.9108.9148.3105.70000119.2
298K28.9Very low28.7Very low173 Ų173135 Ų13575%0.75277%0.773SS**  73.7139.4123.1-67-175.2175.8-178.60121.3
299Y31.8Very low28.4Very low201 Ų201134.2 Ų134.279%0.78878%0.777SS**  trans86.1112.2163.7-65.6-77.5000116.2
300S29.3Very low28.2Very low96 Ų96132.4 Ų132.467%0.67177%0.773SS**  80.3102.470.4-59.80000113.3
301D29.3Very low28.1Very low162 Ų162136.8 Ų136.887%0.86678%0.782SS**  trans63.4147.7151.6-63.6-25.6000123.1
302P29.9Very low28.2Very low116 Ų116136.1 Ų136.175%0.75378%0.778SS**  trans-113.8146.1-153.136.6-21.7000113.8
303V30.3Very low28.2Very low144 Ų144139 Ų13987%0.87379%0.786SS**  trans-139.3121.9163.9-174.20000111
304N25.4Very low28.2Very low147 Ų147139.6 Ų139.679%0.78678%0.784SS**  trans-1.1140.4145.9-136.6-14.5000118.2
305V30.3Very low28.1Very low138 Ų138139.7 Ų139.784%0.83678%0.784SS**  167.9138.9123.7162.50000110.5
306A24.5Very low28Very low85 Ų85138 Ų13870%0.70278%0.776SS**  trans-77.8158-174.600000115.6
307S24.4Very low27.8Very low111 Ų111133 Ų13378%0.77676%0.763SS**  trans59.4119.1142.4-147.80000120.3
308L25.8Very low27.7Very low181 Ų181138.1 Ų138.195%0.94877%0.767SS**  trans-163.4139.5134.3-107.3141.7000112.5
309A24Very low27.6Very low87 Ų87136.3 Ų136.372%0.71977%0.765SS**  trans-86.1165.9-170.100000114.4
310A23.4Very low27.4Very low88 Ų88134.4 Ų134.473%0.72776%0.763SS**  trans66.3113.7143.900000119.5
311F27.3Very low27.3Very low217 Ų217135.5 Ų135.595%0.95277%0.768SS**  trans-142.8137.6136.6-110.5-84.2000111.5
312S26.8Very low27.3Very low91 Ų91135.6 Ų135.664%0.63677%0.766SS**  trans-99.6176.3-171.757.50000112.6
313K31.1Very low27.1Very low185 Ų185139.4 Ų139.480%0.80477%0.771SS**  trans98142.3160.8-64.8-177.8-178.8-179.10116.1
314Q27.1Very low27Very low155 Ų155144.3 Ų144.372%0.72477%0.774SS**  cis177.7142.9-10.8-172.8170.83.800105.5
315S27.4Very low27.1Very low105 Ų105146.1 Ų146.173%0.73478%0.777SS**  trans58143.6157.958.10000118.7
316D30.5Very low26.8Very low133 Ų133144.8 Ų144.871%0.71177%0.774SS**  cis-161.8162.240.9-160.50.5000113.3
317S26.3Very low26.9Very low82 Ų82148.9 Ų148.957%0.57378%0.783SS**  trans-70.8150.8-179.259.50000116
318R28.1Very low26.9Very low203 Ų203153.4 Ų153.477%0.76679%0.789SS**  164.8120.7127.3-87.9173.7-96.6-168-7.3114.4
319L27.3Very low27Very low136 Ų136149.2 Ų149.271%0.71278%0.775SS**  trans55.5136.6133.8-68.6149.3000119.6
320H28.3Very low27.1Very low161 Ų161150.7 Ų150.775%0.74578%0.78SS**  cis-162.2161.729.6-94.5-72.6000110.7
321P26.5Very low27.2Very low119 Ų119155.1 Ų155.177%0.77379%0.785SS**PPolyproline II helixtrans-93.8130.5176.534.4-27.3000113
322I29.8Very low27.3Very low163 Ų163150.2 Ų150.284%0.83678%0.778SS**PPolyproline II helixtrans-94.1122.3173.9-65176.1000110.7
323K25.9Very low27.4Very low196 Ų196153 Ų15385%0.85279%0.785SS**PPolyproline II helixtrans-56.4139.9173.1-70.6174.1174.8175.90112
324R27.4Very low27.6Very low247 Ų247150.8 Ų150.893%0.93278%0.776SS**  trans-110.5123.3166.2-78.5-174.9-178.7169.41.4111
325H26.9Very low28.2Very low185 Ų185148.6 Ų148.686%0.85677%0.766SS**  trans-68144.9168.3-90.1-84.1000111.7
326S24Very low28.6Very low110 Ų110146.8 Ų146.877%0.76975%0.75SS**  trans-82133.3174.262.30000110.8
327L27.8Very low28.8Very low172 Ų172149.5 Ų149.590%0.90175%0.751SS**  trans-127.9120.9165.1-96.3153.1000108.2
328K23.7Very low29.5Very low205 Ų205149.5 Ų149.589%0.89174%0.744SS**  trans-73130.8179-64.7173.3176.6177.40109.2
329S26.8Very low30.2Very low93 Ų93140.9 Ų140.965%0.6571%0.713SS**  trans-155118.5158.565.30000111.9
330S26.3Very low30.9Very low119 Ų119135.4 Ų135.483%0.83268%0.684SS**  trans20.5121.5155430000120.2
331H25.4Very low31.5Very low181 Ų181130 Ų13084%0.83867%0.665SS**  trans-80.1132.5174.1-72-2.4000112.5
332S29.3Very low32.3Very low114 Ų114130.5 Ų130.580%0.79766%0.657SS**  trans-126.9120.2149.553.90000107.9F334S332-F334 PolarHBondContact O-N 2.88Å
333N29.3Very low32.9Very low148 Ų148123.8 Ų123.879%0.79162%0.622SS**  trans-80.2108.3-179.4-79.8-27.1000109
334F34.7Very low34Very low140 Ų140116 Ų11661%0.61459%0.589SS**  trans-96.1114.4172.1-156.2-91.2000108.9S332 I339 W400S332-F334 PolarHBondContact O-N 2.88Å; F334-I339 HydrophobicContact CE1-CD1 3.96Å; F334-I339 HydrophobicContact CE1-CG1 3.96Å; F334-W400 AromaticContact CD1-CH2 3.97Å; F334-W400 HydrophobicContact CD1-CH2 3.97Å
335Q39.9Very low34.7Very low108 Ų108108.9 Ų108.951%0.50557%0.57SS.*  trans-89.2130.3-174-66.1-170.416.800111.6R337 D338Q335-R337 PolarHBondContact O-N 3.48Å; Q335-D338 PolarHBondContact O-N 2.98Å
336V37.5Very low35.2Very low68 Ų68103.7 Ų103.741%0.41255%0.546SS..Hα-helixtrans-52-24.5173.9173.90000113F4 D338 I339 L340 W400F4-V336 HydrophobicContact CD2-CG1 4.06Å; F4-V336 HydrophobicContact CE2-CG1 3.73Å; V336-D338 VanDerWaalsContact C-N 3.34Å; V336-D338 PolarHBondContact O-N 3.37Å; V336-I339 PolarHBondContact O-N 2.6Å; V336-L340 HydrophobicContact CG1-CD1 4.12Å; V336-L340 PolarHBondContact O-N 2.98Å; V336-W400 HydrophobicContact CG2-CE3 4.25Å; V336-W400 HydrophobicContact CG2-CZ3 3.87Å
337R34.4Very low35.7Very low190 Ų190100 Ų10072%0.71752%0.521SS*.Hα-helixtrans-62.7-34.8176.9-75-177.5171.6166.2-3113.5Q335 L340 S341Q335-R337 PolarHBondContact O-N 3.48Å; R337-L340 PolarHBondContact O-N 3.18Å; R337-S341 PolarHBondContact O-N 2.95Å; R337-S341 PolarHBondContact O-OG 3.44Å
338D40.3Very low36.1Very low82 Ų8296.3 Ų96.344%0.43950%0.502SS..Hα-helixtrans-73.3-32-177.2-63.8-33.9000112.2Q335 V336 S341 Q342Q335-D338 PolarHBondContact O-N 2.98Å; V336-D338 VanDerWaalsContact C-N 3.34Å; V336-D338 PolarHBondContact O-N 3.37Å; D338-S341 PolarHBondContact O-OG 2.82Å; D338-Q342 WeakPolarHBondContact O-CG 3.3Å; D338-Q342 PolarHBondContact O-N 3.35Å
339I43.3Very low36.7Very low21 Ų2191.7 Ų91.711%0.10850%0.495CS..Hα-helixtrans-69.6-46.5173.2-62173.8000109.3F334 V336 S341 Q342 F343 W400 V495 W500F334-I339 HydrophobicContact CE1-CD1 3.96Å; F334-I339 HydrophobicContact CE1-CG1 3.96Å; V336-I339 PolarHBondContact O-N 2.6Å; I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 PolarHBondContact O-N 3.31Å; I339-Q342 PolarHBondContact O-N 3Å; I339-F343 HydrophobicContact CG2-CD2 3.73Å; I339-F343 HydrophobicContact CG2-CE2 3.76Å; I339-F343 VanDerWaalsContact O-CD2 3.32Å; I339-F343 WeakPolarHBondContact O-CD2 3.11Å; I339-F343 PolarHBondContact O-N 3.3Å; I339-W400 HydrophobicContact CD1-CH2 4.08Å; I339-W400 HydrophobicContact CD1-CZ3 4.44Å; I339-V495 HydrophobicContact CG2-CG1 4.15Å; I339-W500 HydrophobicContact CD1-CH2 4.25Å
340L41.5Very low37.2Very low21 Ų2190.6 Ų90.611%0.1149%0.492CS..Hα-helixtrans-56.9-44.4177.1-100151000112.4F4 Y8 V336 R337 F343 I344F4-L340 HydrophobicContact CD2-CD1 4.25Å; F4-L340 HydrophobicContact CE2-CD1 3.48Å; F4-L340 VanDerWaalsContact CE2-CD1 3.48Å; F4-L340 HydrophobicContact CE2-CD2 4.42Å; F4-L340 HydrophobicContact CE2-CG 3.79Å; F4-L340 HydrophobicContact CZ-CD1 4.22Å; F4-L340 HydrophobicContact CZ-CD2 4.46Å; F4-L340 HydrophobicContact CZ-CG 4.02Å; Y8-L340 HydrophobicContact CD2-CD2 3.72Å; V336-L340 HydrophobicContact CG1-CD1 4.12Å; V336-L340 PolarHBondContact O-N 2.98Å; R337-L340 PolarHBondContact O-N 3.18Å; L340-F343 PolarHBondContact O-N 3.34Å; L340-I344 HydrophobicContact CD2-CD1 4.34Å; L340-I344 WeakPolarHBondContact O-CB 3.22Å; L340-I344 WeakPolarHBondContact O-CD1 3.38Å; L340-I344 VanDerWaalsContact O-CG1 3.25Å; L340-I344 WeakPolarHBondContact O-CG1 3.41Å; L340-I344 PolarHBondContact O-N 2.98Å
341S41.6Very low37.5Very low49 Ų4989.7 Ų89.734%0.34349%0.486SS..Hα-helixtrans-65.3-39.4179.264.50000112.2R337 D338 I339 I344 N345R337-S341 PolarHBondContact O-N 2.95Å; R337-S341 PolarHBondContact O-OG 3.44Å; D338-S341 PolarHBondContact O-OG 2.82Å; I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 PolarHBondContact O-N 3.31Å; S341-I344 PolarHBondContact O-N 2.93Å; S341-N345 WeakPolarHBondContact O-CB 3.46Å; S341-N345 VanDerWaalsContact O-CG 3.22Å; S341-N345 PolarHBondContact O-N 3.48Å; S341-N345 PolarHBondContact O-ND2 3.28Å
342Q41.7Very low37.6Very low129 Ų12990 Ų9060%0.60349%0.487SS*.Hα-helixtrans-63.7-42.8174.2-71.3176.815.900112.1D338 I339 M346D338-Q342 WeakPolarHBondContact O-CG 3.3Å; D338-Q342 PolarHBondContact O-N 3.35Å; I339-Q342 PolarHBondContact O-N 3Å; Q342-M346 WeakPolarHBondContact O-CB 3.44Å; Q342-M346 WeakPolarHBondContact O-CG 3.38Å; Q342-M346 PolarHBondContact O-N 2.76Å
343F43.5Very low37.5Very low22 Ų2292.6 Ų92.610%0.09649%0.492CS..Hα-helixtrans-66.5-40.2176.1-88.6-81.7000112.9I339 L340 S347 Y494 V495 I499I339-F343 HydrophobicContact CG2-CD2 3.73Å; I339-F343 HydrophobicContact CG2-CE2 3.76Å; I339-F343 VanDerWaalsContact O-CD2 3.32Å; I339-F343 WeakPolarHBondContact O-CD2 3.11Å; I339-F343 PolarHBondContact O-N 3.3Å; L340-F343 PolarHBondContact O-N 3.34Å; F343-S347 PolarHBondContact O-N 3.37Å; F343-S347 PolarHBondContact O-OG 2.63Å; F343-Y494 HydrophobicContact CE1-CE1 4.26Å; F343-V495 HydrophobicContact CD1-CG2 4.24Å; F343-V495 HydrophobicContact CD2-CG1 4.28Å; F343-V495 HydrophobicContact CD2-CG2 4.07Å; F343-V495 HydrophobicContact CE1-CG2 3.87Å; F343-V495 HydrophobicContact CE2-CB 4.07Å; F343-V495 HydrophobicContact CE2-CG1 3.37Å; F343-V495 HydrophobicContact CE2-CG2 3.7Å; F343-V495 HydrophobicContact CG-CG2 4.34Å; F343-V495 HydrophobicContact CZ-CB 3.94Å; F343-V495 HydrophobicContact CZ-CG1 3.62Å; F343-V495 HydrophobicContact CZ-CG2 3.6Å; F343-I499 HydrophobicContact CE2-CD1 3.82Å; F343-I499 HydrophobicContact CZ-CD1 3.98Å; F343-I499 HydrophobicContact CZ-CG1 4.42Å
344I48.9Very low37.8Very low33 Ų3390.8 Ų90.817%0.16949%0.491CS..Hα-helixtrans-66.5-45.6176.9-68.6164.4000110.4V11 L340 S341 M346 S347 N348V11-I344 HydrophobicContact CG1-CD1 3.76Å; L340-I344 HydrophobicContact CD2-CD1 4.34Å; L340-I344 WeakPolarHBondContact O-CB 3.22Å; L340-I344 WeakPolarHBondContact O-CD1 3.38Å; L340-I344 VanDerWaalsContact O-CG1 3.25Å; L340-I344 WeakPolarHBondContact O-CG1 3.41Å; L340-I344 PolarHBondContact O-N 2.98Å; S341-I344 PolarHBondContact O-N 2.93Å; I344-M346 VanDerWaalsContact C-N 3.32Å; I344-M346 PolarHBondContact O-N 3.12Å; I344-S347 WeakPolarHBondContact O-CA 3.4Å; I344-S347 WeakPolarHBondContact O-CB 3.35Å; I344-S347 PolarHBondContact O-N 2.83Å; I344-N348 PolarHBondContact O-N 2.54Å; I344-N348 VanDerWaalsContact O-N 3.1Å
345N41.8Very low37.6Very low97 Ų9789.3 Ų89.352%0.51950%0.498SS..Hα-helixtrans-60.7-42.3177.8-73.9-14.5000111.4S341 S347 N348 S349S341-N345 WeakPolarHBondContact O-CB 3.46Å; S341-N345 VanDerWaalsContact O-CG 3.22Å; S341-N345 PolarHBondContact O-N 3.48Å; S341-N345 PolarHBondContact O-ND2 3.28Å; N345-S347 PolarHBondContact O-N 2.79Å; N345-S347 VanDerWaalsContact O-N 3.15Å; N345-N348 PolarHBondContact O-N 3.1Å; N345-N348 VanDerWaalsContact O-N 3.12Å; N345-S349 PolarHBondContact O-N 3.15Å; N345-S349 VanDerWaalsContact O-N 3.08Å; N345-S349 PolarHBondContact O-OG 3.39Å
346M36.9Very low37.1Very low75 Ų7588.8 Ų88.837%0.36951%0.506SS..Hα-helixtrans-63.2-15.6171.3-81.6176.266.600114.6R120 F124 Q342 I344R120-M346 VanDerWaalsContact NH2-C 3.29Å; R120-M346 PolarHBondContact NH2-O 3.5Å; F124-M346 HydrophobicContact CE2-CE 3.48Å; F124-M346 VanDerWaalsContact CE2-CE 3.48Å; F124-M346 HydrophobicContact CZ-CE 3.47Å; F124-M346 VanDerWaalsContact CZ-CE 3.47Å; Q342-M346 WeakPolarHBondContact O-CB 3.44Å; Q342-M346 WeakPolarHBondContact O-CG 3.38Å; Q342-M346 PolarHBondContact O-N 2.76Å; I344-M346 VanDerWaalsContact C-N 3.32Å; I344-M346 PolarHBondContact O-N 3.12Å
347S35.5Very low36.9Very low33 Ų3394.3 Ų94.323%0.23153%0.527CS..Hα-helixtrans-87.1-31.8175-47.10000111.8R120 F343 I344 N345R120-S347 PolarHBondContact NH2-OG 3.3Å; F343-S347 PolarHBondContact O-N 3.37Å; F343-S347 PolarHBondContact O-OG 2.63Å; I344-S347 WeakPolarHBondContact O-CA 3.4Å; I344-S347 WeakPolarHBondContact O-CB 3.35Å; I344-S347 PolarHBondContact O-N 2.83Å; N345-S347 PolarHBondContact O-N 2.79Å; N345-S347 VanDerWaalsContact O-N 3.15Å
348N35.8Very low36.8Very low94 Ų9489.5 Ų89.550%0.50352%0.523SS..Hα-helixtrans-91-24.9-174.1-66.9-16.4000113.1I344 N345 A350 S351I344-N348 PolarHBondContact O-N 2.54Å; I344-N348 VanDerWaalsContact O-N 3.1Å; N345-N348 PolarHBondContact O-N 3.1Å; N345-N348 VanDerWaalsContact O-N 3.12Å; N348-A350 PolarHBondContact O-N 3.14Å; N348-S351 PolarHBondContact O-OG 3.28Å
349S35.8Very low36.4Very low108 Ų10892.4 Ų92.476%0.75554%0.538SS*.THydrogen-bonded Turntrans-74.927.3-175.9-57.20000116.6N345N345-S349 PolarHBondContact O-N 3.15Å; N345-S349 VanDerWaalsContact O-N 3.08Å; N345-S349 PolarHBondContact O-OG 3.39Å
350A38.1Very low35.6Very low71 Ų7196.4 Ų96.459%0.58756%0.564SS**THydrogen-bonded Turntrans-130.621.3-178.100000114.8N348N348-A350 PolarHBondContact O-N 3.14Å
351S32.9Very low35.1Very low100 Ų100103 Ų10370%0.69959%0.594SS**  trans-127.249-173.359.30000114.3N348N348-S351 PolarHBondContact O-OG 3.28Å
352Q27.5Very low34.3Very low186 Ų186109 Ų10987%0.86961%0.614SS**  trans-148.7109.7163.7-69.9-167-8.100109.5
353L27.5Very low33.7Very low169 Ų169112.2 Ų112.289%0.88563%0.626SS**  trans175.392.4154-94.5152.9000111.7
354S34Very low33Very low110 Ų110116.6 Ų116.677%0.76966%0.655SS**  trans172.393.9144.557.40000109.6
355S32.1Very low31.8Very low110 Ų110121.4 Ų121.477%0.76969%0.685SS**  40.9133.710864.70000115.8
356S28.7Very low31.2Very low97 Ų97120.9 Ų120.968%0.67869%0.694SS**  cis174.6127.2-8.143.30000105
357H33.9Very low30.8Very low184 Ų184124.6 Ų124.685%0.85271%0.711SS**  trans178.4129.7141.3-99.242.8000112.8
358S30.6Very low30.4Very low89 Ų89131 Ų13162%0.62273%0.734SS**  trans-15.6129.3167.856.40000121.4
359N32.3Very low29.9Very low142 Ų142136.3 Ų136.376%0.75975%0.753SS**  169.3123.295.6-95-26.7000113.7
360T27Very low29.5Very low106 Ų106138.8 Ų138.865%0.6576%0.757SS**  trans29116.1142.860.60000121.3
361H31.2Very low29.1Very low160 Ų160140.2 Ų140.274%0.74176%0.76SS**  173.1118.2105-97.6-80.1000113.5
362K25.6Very low28.7Very low175 Ų175140.8 Ų140.876%0.76177%0.765SS**  trans36119144.2-60.6179.6178.7178.80120
363F28.2Very low28.7Very low196 Ų196138.7 Ų138.786%0.8676%0.758SS**  -170.4142.2104.9-112.2-92000112.9
364T28.1Very low28.6Very low114 Ų114137.5 Ų137.570%0.69975%0.749SS**  trans-46166.8178.945.60000117.8
365V25.4Very low28.1Very low133 Ų133142.3 Ų142.381%0.80675%0.752SS**  cis-176.5136-4.3144.30000104.6
366A27.8Very low27.8Very low86 Ų86142.9 Ų142.971%0.71175%0.751SS**  trans160.9107.1137.500000114.1
367E30Very low27.6Very low153 Ų153142 Ų14272%0.71576%0.757SS**  trans67.6101.8135.1-55.7-156.7123.500120.3
368K25.3Very low27.2Very low168 Ų168141.9 Ų141.973%0.7375%0.754SS**  93.8102.180.9-87.6174.8-174156.60112.4
369F25.7Very low26.9Very low206 Ų206142 Ų14290%0.90475%0.753SS**  176.4125.7118.3-107-88000110
370L28Very low26.7Very low160 Ų160142.4 Ų142.484%0.83876%0.755SS**  trans-63.3-179-178.8-82.4114.7000115.2
371P29.8Very low26.6Very low100 Ų100145 Ų14565%0.64976%0.758SS**  cis-133.5164.6-19.722.31000115.5
372S25Very low26.5Very low113 Ų113144.6 Ų144.679%0.7976%0.76SS**  trans-36.7121.3155.346.50000116.7
373I25.7Very low26.6Very low141 Ų141141.2 Ų141.272%0.72376%0.759SS**  trans-145.8117.8156.6-70.4-168.1000110.4
374M25.5Very low26.5Very low144 Ų144135.7 Ų135.771%0.70974%0.744SS**  trans76.996.9149-66.6176.8-156.100122
375Y25.3Very low26.5Very low212 Ų212137.2 Ų137.283%0.83174%0.742SS**  -57.9160.6125-89.6-99.8000110.8
376T25.4Very low26.6Very low122 Ų122135.5 Ų135.575%0.74873%0.728SS**SBendtrans94.3135.9180750000114.9
377G23.7Very low26.7Very low77 Ų77138.3 Ų138.379%0.79472%0.724SS**PPolyproline II helixtrans-59.2139.3-15500000115.5
378F26.3Very low26.7Very low182 Ų182137 Ų13780%0.79872%0.722SS**PPolyproline II helixtrans-99.4117.8167.5-107.8-87.8000111.2
379P24.4Very low26.9Very low92 Ų92137.3 Ų137.360%0.59772%0.724SS**PPolyproline II helixtrans-80.7150.1177.533.5-32.8000111.1F381P379-F381 VanDerWaalsContact C-N 3.3Å; P379-F381 PolarHBondContact O-N 3.28Å
380N26.8Very low27.2Very low151 Ų151132.9 Ų132.981%0.80771%0.713SS**SBendtrans24.242.3146.4-68.9-20.5000120.7S383N380-S383 PolarHBondContact O-OG 2.8Å
381F25.4Very low27.3Very low160 Ų160130.9 Ų130.970%0.70270%0.698SS**  trans-110.93.9177.8-131.3-91.6000115.4P379P379-F381 VanDerWaalsContact C-N 3.3Å; P379-F381 PolarHBondContact O-N 3.28Å
382L28.7Very low27.1Very low151 Ų151136.5 Ų136.579%0.79171%0.706SS**SBendtrans-99.85.4168-69.4175.5000113.6
383S28.6Very low27.2Very low104 Ų104140.1 Ų140.173%0.72771%0.708SS**SBendtrans-86.7-1.2174.154.80000114.5N380N380-S383 PolarHBondContact O-OG 2.8Å
384S26.7Very low27.3Very low80 Ų80143 Ų14356%0.55972%0.718SS**SBendtrans-115.1-3.9176.868.30000114.6N386S384-N386 PolarHBondContact O-N 2.82Å
385F26.6Very low27.5Very low147 Ų147140.6 Ų140.665%0.64572%0.716SS**  trans-7394.3171.5-107.8-88.6000109.5F387F385-F387 HydrophobicContact CB-CD2 4.43Å; F385-F387 PolarHBondContact O-N 3.2Å
386N28.1Very low27.6Very low97 Ų97136.7 Ų136.752%0.51971%0.709SS.*  trans-7174.9173.8-158.1-8.2000108.9S384 N388 K389S384-N386 PolarHBondContact O-N 2.82Å; N386-N388 PolarHBondContact O-N 3.08Å; N386-K389 PolarHBondContact O-N 2.84Å
387F30.5Very low28Very low145 Ų145136.3 Ų136.364%0.63671%0.711SS**G310 helixtrans-52.4-20.4176.9-113.1-92.2000112.1F385 K389 F391F385-F387 HydrophobicContact CB-CD2 4.43Å; F385-F387 PolarHBondContact O-N 3.2Å; F387-K389 VanDerWaalsContact C-N 3.28Å; F387-K389 PolarHBondContact O-N 3.42Å; F387-F391 HydrophobicContact CD1-CD2 4.24Å; F387-F391 AromaticContact CD1-CE2 3.91Å; F387-F391 HydrophobicContact CD1-CE2 3.91Å; F387-F391 AromaticContact CE1-CE2 3.99Å; F387-F391 HydrophobicContact CE1-CE2 3.99Å
388N29.8Very low28.6Very low125 Ų125136.6 Ų136.667%0.66870%0.701SS**G310 helixtrans-70.9-12.7174.2-65.7-32.9000114.7N386N386-N388 PolarHBondContact O-N 3.08Å
389K29.8Very low28.8Very low175 Ų175136.5 Ų136.576%0.76170%0.696SS**G310 helixtrans-90.9-20.1-177.7-125.4-178.5-177-175.20114.1N386 F387N386-K389 PolarHBondContact O-N 2.84Å; F387-K389 VanDerWaalsContact C-N 3.28Å; F387-K389 PolarHBondContact O-N 3.42Å
390V30.4Very low29.2Very low113 Ų113138.6 Ų138.669%0.68569%0.692SS**THydrogen-bonded Turntrans-91.5-22.3179.4177.40000112.4
391F30.4Very low29.8Very low117 Ų117138.1 Ų138.151%0.51369%0.685SS.*  trans-10715.9-172-72.1-77.6000115.7F387 F393F387-F391 HydrophobicContact CD1-CD2 4.24Å; F387-F391 AromaticContact CD1-CE2 3.91Å; F387-F391 HydrophobicContact CD1-CE2 3.91Å; F387-F391 AromaticContact CE1-CE2 3.99Å; F387-F391 HydrophobicContact CE1-CE2 3.99Å; F391-F393 VanDerWaalsContact C-N 3.32Å; F391-F393 PolarHBondContact O-N 3.28Å; F391-F393 VanDerWaalsContact O-N 3.1Å
392R25.9Very low30.1Very low218 Ų218138.8 Ų138.882%0.82369%0.687SS**  trans-82.575.7167.2-82.8-170-170.2172.32.6110.9
393F26.8Very low30.2Very low190 Ų190139.7 Ų139.783%0.83369%0.687SS**  trans-134.798.1157.2-97.3-83.4000109.3F391 S395F391-F393 VanDerWaalsContact C-N 3.32Å; F391-F393 PolarHBondContact O-N 3.28Å; F391-F393 VanDerWaalsContact O-N 3.1Å; F393-S395 PolarHBondContact O-N 2.9Å
394Q27.3Very low30.4Very low201 Ų201141.9 Ų141.994%0.93969%0.689SS**  trans-67.1109.5158.6-83.3178.8-36.700107.6
395S30.8Very low30.4Very low94 Ų94142.5 Ų142.566%0.65769%0.691SS**  trans-159.9124.7152.582.50000113.2F393F393-S395 PolarHBondContact O-N 2.9Å
396N26.5Very low30.5Very low130 Ų130141.4 Ų141.470%0.69570%0.702SS**  trans31.7107.4158-81.4-21.3000120.6S398N396-S398 PolarHBondContact O-N 3.47Å
397S33.6Very low30.4Very low113 Ų113144.3 Ų144.379%0.7971%0.71SS**THydrogen-bonded Turntrans-63.69.1171.446.90000116.6
398S36.2Very low30Very low83 Ų83142.2 Ų142.258%0.5871%0.711SS**THydrogen-bonded Turntrans-98-11.1-178.273.90000115.1N396N396-S398 PolarHBondContact O-N 3.47Å
399R31.1Very low29.8Very low180 Ų180148.3 Ų148.368%0.67973%0.725SS**SBendtrans-90.2-17.3-170.4-91.7-176.2-170.1158.23.6116.3H401R399-H401 VanDerWaalsContact C-N 3.33Å; R399-H401 PolarHBondContact O-N 3.43Å
400W33.9Very low29.5Very low137 Ų137145.5 Ų145.552%0.51972%0.722SS.*SBendtrans-78.3-13.6-175.6-74.887000114.4F334 V336 I339F334-W400 AromaticContact CD1-CH2 3.97Å; F334-W400 HydrophobicContact CD1-CH2 3.97Å; V336-W400 HydrophobicContact CG2-CE3 4.25Å; V336-W400 HydrophobicContact CG2-CZ3 3.87Å; I339-W400 HydrophobicContact CD1-CH2 4.08Å; I339-W400 HydrophobicContact CD1-CZ3 4.44Å
401H39.2Very low29.3Very low141 Ų141144.9 Ų144.965%0.65372%0.723SS**SBendtrans-127.9-2.2-173.8-67.8-62.9000115.4R399R399-H401 VanDerWaalsContact C-N 3.33Å; R399-H401 PolarHBondContact O-N 3.43Å
402K31Very low29.1Very low173 Ų173144.3 Ų144.375%0.75273%0.733SS**SBendtrans-143.383.7179.4-71.2-175.9179.7-179.80111
403Q30.1Very low29Very low171 Ų171139 Ų13980%0.79973%0.727SS**  trans159.376154-90.5172.71.600108.5
404I33.8Very low29Very low150 Ų150134.8 Ų134.877%0.76972%0.721SS**  trans-87.6114143.4-63.5173.6000103.1S406 F407I404-S406 PolarHBondContact O-N 2.81Å; I404-F407 HydrophobicContact CG2-CD2 3.85Å; I404-F407 HydrophobicContact CG2-CE2 4.24Å
405P26.9Very low29.2Very low92 Ų92129.8 Ų129.860%0.59770%0.704SS**  trans-54.2137.9170.2-16.228.5000107.4F407P405-F407 VanDerWaalsContact C-N 3.25Å; P405-F407 WeakPolarHBondContact O-CD2 3.28Å; P405-F407 PolarHBondContact O-N 2.87Å
406S27.6Very low29Very low125 Ų125129.8 Ų129.887%0.87470%0.704SS**  trans-45.388.1171.135.80000111.1I404I404-S406 PolarHBondContact O-N 2.81Å
407F26.3Very low29.5Very low157 Ų157127.9 Ų127.969%0.68969%0.69SS**  trans-69145.8165-81-82.5000107.1I404 P405 R409I404-F407 HydrophobicContact CG2-CD2 3.85Å; I404-F407 HydrophobicContact CG2-CE2 4.24Å; P405-F407 VanDerWaalsContact C-N 3.25Å; P405-F407 WeakPolarHBondContact O-CD2 3.28Å; P405-F407 PolarHBondContact O-N 2.87Å; F407-R409 PolarHBondContact O-N 3.1Å
408P23.6Very low29.4Very low101 Ų101131 Ų13166%0.65670%0.697SS**  trans-51.7144.6172.225.1-32.3000107.6V410P408-V410 WeakPolarHBondContact O-CG2 3.39Å; P408-V410 PolarHBondContact O-N 2.64Å
409R23.9Very low29.5Very low254 Ų254135.9 Ų135.996%0.95870%0.702SS**  trans-56.172.7-177.8-160.3-174.9-144.8179.64.7110.4F407 S411F407-R409 PolarHBondContact O-N 3.1Å; R409-S411 PolarHBondContact O-N 2.8Å
410V25.1Very low30.2Very low116 Ų116132.9 Ų132.970%0.70370%0.704SS**  trans-75107.9166.5-178.60000102.9P408 S412P408-V410 WeakPolarHBondContact O-CG2 3.39Å; P408-V410 PolarHBondContact O-N 2.64Å; V410-S412 PolarHBondContact O-N 2.91Å
411S24.8Very low30.9Very low99 Ų99133.6 Ų133.669%0.69272%0.718SS**  trans-33.3111.8165.7-4.20000106.9R409 P413R409-S411 PolarHBondContact O-N 2.8Å; S411-P413 WeakPolarHBondContact O-CD 3.42Å
412S27Very low32Very low106 Ų106134.1 Ų134.174%0.74173%0.725SS**  trans-49.7123165.2-62.90000104V410 S414V410-S412 PolarHBondContact O-N 2.91Å; S412-S414 PolarHBondContact O-N 3.38Å
413P23.7Very low34.4Very low105 Ų105130.9 Ų130.968%0.68272%0.724SS**  trans-53120.1170.222.9-28.6000103S411 V415S411-P413 WeakPolarHBondContact O-CD 3.42Å; P413-V415 PolarHBondContact O-N 2.93Å
414S27Very low37.3Very low103 Ų103124.3 Ų124.372%0.7270%0.696SS**  trans-54.4100.3167.541.50000103.1S412 S416S412-S414 PolarHBondContact O-N 3.38Å; S414-S416 PolarHBondContact O-N 3.46Å
415V30.6Very low40.2Very low96 Ų96119.1 Ų119.158%0.58267%0.67SS**  trans-71.977.5167.2-174.90000102.1P413 F417P413-V415 PolarHBondContact O-N 2.93Å; V415-F417 VanDerWaalsContact C-N 3.26Å; V415-F417 PolarHBondContact O-N 3.37Å
416S27.6Very low43.5Very low94 Ų94119.8 Ų119.866%0.65768%0.675SS**  trans-60.9103.2165.241.70000103.2S414 L418S414-S416 PolarHBondContact O-N 3.46Å; S416-L418 PolarHBondContact O-N 2.93Å
417F36Very low46.8Very low89 Ų89116.9 Ų116.939%0.3965%0.647SS.*  trans-45.8130.3143.9-63.4-84.3000104.7V415 R419V415-F417 VanDerWaalsContact C-N 3.26Å; V415-F417 PolarHBondContact O-N 3.37Å; F417-R419 PolarHBondContact O-N 3.32Å
418L31.4Very low50.2Low179 Ų179109.4 Ų109.494%0.93762%0.615SS**  trans-58.679.1153.5-84.7154000105.2S416 T420S416-L418 PolarHBondContact O-N 2.93Å; L418-T420 VanDerWaalsContact C-N 3.31Å; L418-T420 PolarHBondContact O-N 3.3Å
419R38.7Very low53.7Low185 Ų185108.2 Ų108.270%0.69860%0.597SS**  trans-58.1109.2157.7-92.1-174.9170.1-171-3.8101.6F417 N421F417-R419 PolarHBondContact O-N 3.32Å; R419-N421 PolarHBondContact O-N 2.93Å; R419-N421 PolarHBondContact O-OD1 3.07Å
420T46.1Very low57.2Low117 Ų11799.9 Ų99.972%0.71857%0.569SS**  trans-51.4107.9152.846.70000104.5L418 L422L418-T420 VanDerWaalsContact C-N 3.31Å; L418-T420 PolarHBondContact O-N 3.3Å; T420-L422 PolarHBondContact O-N 2.78Å
421N48.4Very low60.6Low153 Ų15394.3 Ų94.382%0.81854%0.535SS*.SBendtrans-68.917.6-160.3-93.4-25.1000114.8R419R419-N421 PolarHBondContact O-N 2.93Å; R419-N421 PolarHBondContact O-OD1 3.07Å
422L62.8Low64.1Low151 Ų15189.6 Ų89.679%0.79150%0.502SS*.SBendtrans-101.2121.4170.8-72.3102.8000108.8T420T420-L422 PolarHBondContact O-N 2.78Å
423S81.8Confident67.5Low105 Ų10586.6 Ų86.673%0.73447%0.474SS*.PPolyproline II helixtrans-50.2137.5158.248.60000108.3D425S423-D425 PolarHBondContact O-N 2.99Å
424P89.9Confident71Confident33 Ų3382.1 Ų82.121%0.21445%0.445CS..PPolyproline II helixtrans-55.4141.2176.526.7-36.2000109.9W238 R429W238-P424 HydrophobicContact CB-CB 4.32Å; W238-P424 HydrophobicContact CD2-CB 3.41Å; W238-P424 VanDerWaalsContact CD2-CB 3.41Å; W238-P424 HydrophobicContact CD2-CG 4.33Å; W238-P424 HydrophobicContact CE3-CB 3.54Å; W238-P424 HydrophobicContact CG-CB 3.77Å; W238-P424 HydrophobicContact CH2-CB 4.29Å; W238-P424 HydrophobicContact CZ2-CB 4.22Å; W238-P424 HydrophobicContact CZ2-CG 4.42Å; W238-P424 HydrophobicContact CZ3-CB 4Å; P424-R429 HydrophobicContact CB-CB 4.37Å
425D95.6Very high74.3Confident42 Ų4277.2 Ų77.223%0.22541%0.411CS..PPolyproline II helixtrans-51.7126.5173.4175.5-64.3000109.1T242 Y246 S423 E427 V428 R429T242-D425 HydrophobicContact CG2-CB 4.14Å; Y246-D425 WeakPolarHBondContact CE2-OD2 3.11Å; Y246-D425 PolarHBondContact OH-OD1 3.18Å; Y246-D425 PolarHBondContact OH-OD2 2.75Å; S423-D425 PolarHBondContact O-N 2.99Å; D425-E427 VanDerWaalsContact C-N 3.29Å; D425-E427 PolarHBondContact O-N 3.11Å; D425-E427 WeakPolarHBondContact OD1-CA 3.39Å; D425-E427 WeakPolarHBondContact OD1-CB 3.2Å; D425-E427 PolarHBondContact OD1-N 3.28Å; D425-V428 HydrophobicContact CB-CB 3.97Å; D425-V428 HydrophobicContact CB-CG2 3.8Å; D425-V428 PolarHBondContact O-N 3.18Å; D425-V428 WeakPolarHBondContact OD1-CG2 3.14Å; D425-V428 PolarHBondContact OD1-N 2.88Å; D425-R429 VanDerWaalsContact O-CB 3.3Å; D425-R429 WeakPolarHBondContact O-CB 3.39Å; D425-R429 PolarHBondContact O-N 3.12Å
426P96.1Very high77.6Confident106 Ų10672.7 Ų72.769%0.68838%0.383SS*.Hα-helixtrans-59-37.4-173.7-26.635000114Q430P426-Q430 WeakPolarHBondContact O-CB 3.24Å; P426-Q430 PolarHBondContact O-N 2.92Å
427E96.5Very high80.9Confident64 Ų6468.8 Ų68.830%0.29936%0.355SS..Hα-helixtrans-71.4-43.5-178.7166.163.5176.900110.8Y245 R256 D425 R429 Q430 F431Y245-E427 HydrophobicContact CE1-CG 3.67Å; Y245-E427 PolarHBondContact OH-OE1 3.38Å; R256-E427 IonicContact CZ-OE1 3.15Å; R256-E427 IonicContact CZ-OE2 2.61Å; R256-E427 IonicContact NE-OE1 3.94Å; R256-E427 IonicContact NH1-OE1 2.73Å; R256-E427 PolarHBondContact NH1-OE1 3.14Å; R256-E427 IonicContact NH1-OE2 3.56Å; R256-E427 PolarHBondContact NH1-OE2 3.49Å; R256-E427 IonicContact NH2-OE1 2.64Å; R256-E427 PolarHBondContact NH2-OE1 2.79Å; R256-E427 IonicContact NH2-OE2 3.77Å; R256-E427 PolarHBondContact NH2-OE2 2.77Å; D425-E427 VanDerWaalsContact C-N 3.29Å; D425-E427 PolarHBondContact O-N 3.11Å; D425-E427 WeakPolarHBondContact OD1-CA 3.39Å; D425-E427 WeakPolarHBondContact OD1-CB 3.2Å; D425-E427 PolarHBondContact OD1-N 3.28Å; E427-R429 VanDerWaalsContact C-N 3.34Å; E427-Q430 PolarHBondContact O-N 3.04Å; E427-F431 PolarHBondContact O-N 3.46Å
428V97.3Very high83.8Confident0 Ų066.4 Ų66.40%034%0.344CS..Hα-helixtrans-65.7-39175.51780000110.9W21 L241 T242 Y245 Y246 D425 F431 L432W21-V428 HydrophobicContact CH2-CG1 4.37Å; W21-V428 HydrophobicContact CZ2-CG1 3.77Å; L241-V428 HydrophobicContact CB-CG1 3.98Å; T242-V428 HydrophobicContact CG2-CG2 4.27Å; Y245-V428 HydrophobicContact CD1-CG2 3.93Å; Y245-V428 HydrophobicContact CG-CG2 4.13Å; Y246-V428 HydrophobicContact CE2-CG2 3.95Å; D425-V428 HydrophobicContact CB-CB 3.97Å; D425-V428 HydrophobicContact CB-CG2 3.8Å; D425-V428 PolarHBondContact O-N 3.18Å; D425-V428 WeakPolarHBondContact OD1-CG2 3.14Å; D425-V428 PolarHBondContact OD1-N 2.88Å; V428-F431 PolarHBondContact O-N 3.36Å; V428-L432 PolarHBondContact O-N 2.93Å
429R97Very high87Confident76 Ų7658.5 Ų58.529%0.28730%0.302SS..Hα-helixtrans-63.1-42.1174.6-178.3-179.2172.281.2-0.9111.4L228 W238 P424 D425 E427 R433L228-R429 HydrophobicContact CD2-CG 4.04Å; L228-R429 VanDerWaalsContact O-CZ 3.3Å; L228-R429 PolarHBondContact O-NH1 2.99Å; L228-R429 PolarHBondContact O-NH2 2.79Å; W238-R429 HydrophobicContact CH2-CB 4.2Å; W238-R429 HydrophobicContact CH2-CG 4.03Å; W238-R429 HydrophobicContact CZ3-CB 4.13Å; W238-R429 HydrophobicContact CZ3-CG 4.47Å; P424-R429 HydrophobicContact CB-CB 4.37Å; D425-R429 VanDerWaalsContact O-CB 3.3Å; D425-R429 WeakPolarHBondContact O-CB 3.39Å; D425-R429 PolarHBondContact O-N 3.12Å; E427-R429 VanDerWaalsContact C-N 3.34Å; R429-R433 PolarHBondContact O-N 3.18Å; R429-R433 VanDerWaalsContact O-N 3.13Å
430Q97Very high89.8Confident78 Ų7850.4 Ų50.436%0.36427%0.273SS..Hα-helixtrans-67.7-42.2176.3-172.658.643.600111.3P426 E427 L432 R433 D434P426-Q430 WeakPolarHBondContact O-CB 3.24Å; P426-Q430 PolarHBondContact O-N 2.92Å; E427-Q430 PolarHBondContact O-N 3.04Å; Q430-L432 VanDerWaalsContact C-N 3.32Å; Q430-L432 PolarHBondContact O-N 3.19Å; Q430-R433 WeakPolarHBondContact O-CA 3.21Å; Q430-R433 VanDerWaalsContact O-CB 3.26Å; Q430-R433 WeakPolarHBondContact O-CB 3.46Å; Q430-R433 PolarHBondContact O-N 2.92Å; Q430-D434 PolarHBondContact NE2-OD1 3.19Å; Q430-D434 PolarHBondContact O-N 3.04Å
431F98Very high92.2Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-59.9-40.9175.6-176.8-119.7000112.6W21 Y245 Y251 I255 R256 I259 E427 V428 R433 D434 L435W21-F431 HydrophobicContact CD2-CD1 4.42Å; W21-F431 HydrophobicContact CD2-CE1 4.17Å; W21-F431 HydrophobicContact CE3-CD1 4.27Å; W21-F431 HydrophobicContact CE3-CE1 4.11Å; W21-F431 AromaticContact CH2-CD1 3.48Å; W21-F431 HydrophobicContact CH2-CD1 3.48Å; W21-F431 VanDerWaalsContact CH2-CD1 3.48Å; W21-F431 HydrophobicContact CH2-CE1 4.14Å; W21-F431 HydrophobicContact CH2-CG 4.42Å; W21-F431 AromaticContact CZ2-CD1 3.64Å; W21-F431 HydrophobicContact CZ2-CD1 3.64Å; W21-F431 HydrophobicContact CZ2-CE1 4.19Å; W21-F431 AromaticContact CZ3-CD1 3.82Å; W21-F431 HydrophobicContact CZ3-CD1 3.82Å; W21-F431 HydrophobicContact CZ3-CE1 4.1Å; Y245-F431 HydrophobicContact CD2-CB 4.42Å; Y245-F431 AromaticContact CD2-CD1 3.47Å; Y245-F431 HydrophobicContact CD2-CD1 3.47Å; Y245-F431 VanDerWaalsContact CD2-CD1 3.47Å; Y245-F431 AromaticContact CD2-CE1 3.83Å; Y245-F431 HydrophobicContact CD2-CE1 3.83Å; Y245-F431 AromaticContact CD2-CG 3.99Å; Y245-F431 HydrophobicContact CD2-CG 3.99Å; Y245-F431 HydrophobicContact CE2-CB 3.87Å; Y245-F431 AromaticContact CE2-CD1 3.43Å; Y245-F431 HydrophobicContact CE2-CD1 3.43Å; Y245-F431 VanDerWaalsContact CE2-CD1 3.43Å; Y245-F431 AromaticContact CE2-CD2 3.94Å; Y245-F431 HydrophobicContact CE2-CD2 3.94Å; Y245-F431 AromaticContact CE2-CE1 3.88Å; Y245-F431 HydrophobicContact CE2-CE1 3.88Å; Y245-F431 HydrophobicContact CE2-CE2 4.33Å; Y245-F431 AromaticContact CE2-CG 3.46Å; Y245-F431 HydrophobicContact CE2-CG 3.46Å; Y245-F431 VanDerWaalsContact CE2-CG 3.46Å; Y245-F431 HydrophobicContact CE2-CZ 4.29Å; Y251-F431 HydrophobicContact CD1-CE1 4.11Å; Y251-F431 HydrophobicContact CD1-CZ 4.28Å; Y251-F431 HydrophobicContact CG-CE1 4.34Å; Y251-F431 WeakPolarHBondContact O-CE2 3.5Å; I255-F431 HydrophobicContact CB-CZ 4.34Å; I255-F431 HydrophobicContact CG2-CE2 4.07Å; I255-F431 HydrophobicContact CG2-CZ 3.8Å; R256-F431 HydrophobicContact CB-CD2 3.96Å; R256-F431 HydrophobicContact CB-CE2 3.73Å; R256-F431 HydrophobicContact CG-CD2 4.03Å; R256-F431 HydrophobicContact CG-CE2 4.29Å; I259-F431 HydrophobicContact CD1-CD2 4.37Å; I259-F431 HydrophobicContact CD1-CE2 4.02Å; E427-F431 PolarHBondContact O-N 3.46Å; V428-F431 PolarHBondContact O-N 3.36Å; F431-R433 VanDerWaalsContact C-N 3.31Å; F431-R433 PolarHBondContact O-N 3.23Å; F431-D434 PolarHBondContact O-N 3.37Å; F431-L435 HydrophobicContact CD1-CD1 3.96Å; F431-L435 HydrophobicContact CE1-CD1 3.44Å; F431-L435 VanDerWaalsContact CE1-CD1 3.44Å; F431-L435 HydrophobicContact CE1-CG 4.35Å; F431-L435 HydrophobicContact CE2-CD1 4.15Å; F431-L435 HydrophobicContact CE2-CG 4.2Å; F431-L435 HydrophobicContact CZ-CD1 3.56Å; F431-L435 HydrophobicContact CZ-CG 4.06Å; F431-L435 WeakPolarHBondContact O-CB 3.46Å; F431-L435 PolarHBondContact O-N 2.77Å
432L98Very high94.6Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-62.4-39.2173.1-177.459.7000111.8W21 V160 L228 V236 W238 L241 V428 Q430 L436W21-L432 HydrophobicContact CH2-CB 3.73Å; W21-L432 HydrophobicContact CH2-CD1 4.28Å; W21-L432 HydrophobicContact CZ3-CB 3.9Å; W21-L432 HydrophobicContact CZ3-CD1 3.64Å; W21-L432 HydrophobicContact CZ3-CG 4.34Å; V160-L432 HydrophobicContact CG1-CD1 4.04Å; V160-L432 HydrophobicContact CG2-CD1 4.08Å; L228-L432 HydrophobicContact CD2-CB 4.32Å; L228-L432 HydrophobicContact CD2-CD2 3.91Å; L228-L432 HydrophobicContact CD2-CG 4.17Å; V236-L432 HydrophobicContact CG1-CD2 4.15Å; W238-L432 HydrophobicContact CH2-CB 4.48Å; W238-L432 HydrophobicContact CH2-CD2 3.55Å; W238-L432 HydrophobicContact CZ2-CD2 4.26Å; W238-L432 HydrophobicContact CZ3-CB 4.44Å; W238-L432 HydrophobicContact CZ3-CD2 3.92Å; L241-L432 HydrophobicContact CD1-CD2 4.29Å; V428-L432 PolarHBondContact O-N 2.93Å; Q430-L432 VanDerWaalsContact C-N 3.32Å; Q430-L432 PolarHBondContact O-N 3.19Å; L432-L436 HydrophobicContact CD1-CD1 3.9Å; L432-L436 HydrophobicContact CD1-CG 3.96Å; L432-L436 HydrophobicContact CD2-CD1 4.41Å; L432-L436 HydrophobicContact CG-CD1 3.78Å; L432-L436 HydrophobicContact CG-CG 4.28Å; L432-L436 WeakPolarHBondContact O-CB 3.38Å; L432-L436 WeakPolarHBondContact O-CG 3.11Å; L432-L436 PolarHBondContact O-N 2.87Å
433R97.5Very high96.1Very high42 Ų4231.3 Ų31.316%0.15817%0.17CC..Hα-helixtrans-58.7-53.6174.3-176.2173.8-68.9-80.35.1110.9L228 E229 R429 Q430 F431 L435 L436 D437L228-R433 HydrophobicContact CD1-CB 3.41Å; L228-R433 VanDerWaalsContact CD1-CB 3.41Å; L228-R433 HydrophobicContact CD1-CG 3.76Å; L228-R433 VanDerWaalsContact CD1-CZ 3.44Å; E229-R433 IonicContact OE1-CZ 2.87Å; E229-R433 IonicContact OE1-NH1 3.98Å; E229-R433 IonicContact OE1-NH2 2.85Å; E229-R433 PolarHBondContact OE1-NH2 3.04Å; R429-R433 PolarHBondContact O-N 3.18Å; R429-R433 VanDerWaalsContact O-N 3.13Å; Q430-R433 WeakPolarHBondContact O-CA 3.21Å; Q430-R433 VanDerWaalsContact O-CB 3.26Å; Q430-R433 WeakPolarHBondContact O-CB 3.46Å; Q430-R433 PolarHBondContact O-N 2.92Å; F431-R433 VanDerWaalsContact C-N 3.31Å; F431-R433 PolarHBondContact O-N 3.23Å; R433-L435 VanDerWaalsContact C-N 3.31Å; R433-L435 PolarHBondContact O-N 3.03Å; R433-L436 PolarHBondContact O-N 3.21Å; R433-D437 WeakPolarHBondContact CG-OD2 3.37Å; R433-D437 WeakPolarHBondContact O-CB 3.07Å; R433-D437 PolarHBondContact O-N 3.2Å
434D97.6Very high96.9Very high12 Ų1228.1 Ų28.16%0.06415%0.145CC..Hα-helixtrans-59.9-43.3-176.4-63.7-13.8000111I259 Q260 A262 Q430 F431 Y438I259-D434 HydrophobicContact CD1-CB 3.8Å; I259-D434 HydrophobicContact CG1-CB 4.44Å; Q260-D434 VanDerWaalsContact NE2-CG 3.32Å; Q260-D434 PolarHBondContact NE2-OD2 3.29Å; A262-D434 HydrophobicContact CB-CB 4.1Å; A262-D434 WeakPolarHBondContact CB-O 3.42Å; Q430-D434 PolarHBondContact NE2-OD1 3.19Å; Q430-D434 PolarHBondContact O-N 3.04Å; F431-D434 PolarHBondContact O-N 3.37Å; D434-Y438 WeakPolarHBondContact O-CB 3.26Å; D434-Y438 PolarHBondContact O-N 2.94Å
435L97.6Very high97.3Very high0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-61.4-50.2174.8-84.6171.6000112.2W21 F164 I255 I259 F431 R433 Y438 F439W21-L435 HydrophobicContact CE3-CD1 3.68Å; W21-L435 HydrophobicContact CZ3-CD1 3.67Å; F164-L435 HydrophobicContact CE2-CB 4.47Å; F164-L435 HydrophobicContact CE2-CD2 4.44Å; F164-L435 HydrophobicContact CZ-CB 4.25Å; I255-L435 HydrophobicContact CG2-CD2 4.13Å; I259-L435 HydrophobicContact CD1-CB 4.43Å; I259-L435 HydrophobicContact CD1-CD2 3.83Å; I259-L435 HydrophobicContact CD1-CG 3.76Å; I259-L435 HydrophobicContact CG2-CD2 4.39Å; F431-L435 HydrophobicContact CD1-CD1 3.96Å; F431-L435 HydrophobicContact CE1-CD1 3.44Å; F431-L435 VanDerWaalsContact CE1-CD1 3.44Å; F431-L435 HydrophobicContact CE1-CG 4.35Å; F431-L435 HydrophobicContact CE2-CD1 4.15Å; F431-L435 HydrophobicContact CE2-CG 4.2Å; F431-L435 HydrophobicContact CZ-CD1 3.56Å; F431-L435 HydrophobicContact CZ-CG 4.06Å; F431-L435 WeakPolarHBondContact O-CB 3.46Å; F431-L435 PolarHBondContact O-N 2.77Å; R433-L435 VanDerWaalsContact C-N 3.31Å; R433-L435 PolarHBondContact O-N 3.03Å; L435-Y438 PolarHBondContact O-N 2.69Å; L435-F439 HydrophobicContact CD2-CD2 4.35Å; L435-F439 HydrophobicContact CD2-CE2 3.95Å; L435-F439 VanDerWaalsContact O-CD2 3.3Å; L435-F439 WeakPolarHBondContact O-CD2 3.22Å; L435-F439 PolarHBondContact O-N 2.99Å; L435-F439 VanDerWaalsContact O-N 3.13Å
436L97.9Very high97.4Very high0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-63.4-43.9-179-71.7171.8000111.4L163 F164 A223 F227 L432 R433 T440L163-L436 HydrophobicContact CD2-CD2 3.85Å; F164-L436 HydrophobicContact CE1-CD2 4.1Å; F164-L436 HydrophobicContact CZ-CD2 4.25Å; A223-L436 HydrophobicContact CB-CD2 4.35Å; F227-L436 HydrophobicContact CB-CD1 3.76Å; F227-L436 HydrophobicContact CD2-CD1 4.17Å; F227-L436 HydrophobicContact CD2-CD2 4.23Å; F227-L436 HydrophobicContact CG-CD1 4.37Å; L432-L436 HydrophobicContact CD1-CD1 3.9Å; L432-L436 HydrophobicContact CD1-CG 3.96Å; L432-L436 HydrophobicContact CD2-CD1 4.41Å; L432-L436 HydrophobicContact CG-CD1 3.78Å; L432-L436 HydrophobicContact CG-CG 4.28Å; L432-L436 WeakPolarHBondContact O-CB 3.38Å; L432-L436 WeakPolarHBondContact O-CG 3.11Å; L432-L436 PolarHBondContact O-N 2.87Å; R433-L436 PolarHBondContact O-N 3.21Å; L436-T440 VanDerWaalsContact O-CB 3.28Å; L436-T440 WeakPolarHBondContact O-CB 3.36Å; L436-T440 WeakPolarHBondContact O-CG2 3.36Å; L436-T440 PolarHBondContact O-N 3.36Å; L436-T440 PolarHBondContact O-OG1 3.27Å
437D97.4Very high97.4Very high13 Ų1325.5 Ų25.57%0.0713%0.129CC..Hα-helixtrans-65.7-46.4178.7-76.6-30000111.1S222 S224 A262 V263 R433 F439 T440 H441 N444S222-D437 VanDerWaalsContact CB-OD1 3.26Å; S222-D437 WeakPolarHBondContact CB-OD1 3.26Å; S222-D437 PolarHBondContact OG-OD1 3.33Å; S224-D437 WeakPolarHBondContact CB-OD1 3.15Å; S224-D437 PolarHBondContact OG-OD1 2.88Å; A262-D437 HydrophobicContact CB-CB 4.11Å; A262-D437 CarbonylContact O-C 3.53Å; V263-D437 HydrophobicContact CG2-CB 3.62Å; R433-D437 WeakPolarHBondContact CG-OD2 3.37Å; R433-D437 WeakPolarHBondContact O-CB 3.07Å; R433-D437 PolarHBondContact O-N 3.2Å; D437-F439 VanDerWaalsContact C-N 3.34Å; D437-F439 PolarHBondContact O-N 3.37Å; D437-T440 PolarHBondContact O-N 3.45Å; D437-H441 WeakPolarHBondContact O-CB 3.28Å; D437-H441 PolarHBondContact O-N 2.87Å; D437-N444 PolarHBondContact O-ND2 2.78Å; D437-N444 VanDerWaalsContact O-ND2 3.07Å
438Y97.8Very high97.5Very high38 Ų3823.2 Ų23.215%0.14912%0.119CC..Hα-helixtrans-53.6-50177.1-177.7-96.4000112I31 M34 I259 A262 D434 L435 N444I31-Y438 HydrophobicContact CB-CE1 4.45Å; I31-Y438 HydrophobicContact CG1-CE1 4.05Å; I31-Y438 HydrophobicContact CG2-CE1 4.35Å; M34-Y438 HydrophobicContact CB-CE1 4.02Å; M34-Y438 HydrophobicContact CE-CD1 4.47Å; M34-Y438 HydrophobicContact CE-CE1 4.36Å; M34-Y438 WeakPolarHBondContact CE-O 3.41Å; M34-Y438 HydrophobicContact CG-CE1 3.84Å; I259-Y438 HydrophobicContact CB-CD1 4.28Å; I259-Y438 HydrophobicContact CB-CD2 3.82Å; I259-Y438 HydrophobicContact CB-CE2 4.36Å; I259-Y438 HydrophobicContact CB-CG 3.77Å; I259-Y438 HydrophobicContact CG2-CD1 3.81Å; I259-Y438 HydrophobicContact CG2-CD2 4.18Å; I259-Y438 HydrophobicContact CG2-CE1 4.13Å; I259-Y438 HydrophobicContact CG2-CE2 4.46Å; I259-Y438 HydrophobicContact CG2-CG 3.84Å; I259-Y438 WeakPolarHBondContact O-CD2 3.37Å; A262-Y438 PolarHBondContact O-N 3.08Å; D434-Y438 WeakPolarHBondContact O-CB 3.26Å; D434-Y438 PolarHBondContact O-N 2.94Å; L435-Y438 PolarHBondContact O-N 2.69Å; Y438-N444 PolarHBondContact O-ND2 3.41Å; Y438-N444 VanDerWaalsContact O-ND2 3.07Å
439F98Very high97.5Very high14 Ų1426.6 Ų26.66%0.06114%0.136CC..Hα-helixtrans-82.2-22.1-175.8-78.2-71.2000115.4L30 I31 M34 F164 L435 D437 F445L30-F439 HydrophobicContact CB-CE1 3.66Å; L30-F439 HydrophobicContact CB-CZ 3.64Å; I31-F439 HydrophobicContact CG1-CE2 4.29Å; I31-F439 HydrophobicContact CG1-CZ 3.74Å; M34-F439 HydrophobicContact CE-CD1 4.3Å; M34-F439 HydrophobicContact CG-CD1 3.55Å; M34-F439 HydrophobicContact CG-CE1 3.41Å; M34-F439 VanDerWaalsContact CG-CE1 3.41Å; M34-F439 HydrophobicContact CG-CZ 4.5Å; M34-F439 HydrophobicContact SD-CD1 3.71Å; M34-F439 HydrophobicContact SD-CE1 4.19Å; F164-F439 HydrophobicContact CB-CD1 4.26Å; F164-F439 HydrophobicContact CB-CG 4.31Å; F164-F439 HydrophobicContact CD1-CB 3.42Å; F164-F439 VanDerWaalsContact CD1-CB 3.42Å; F164-F439 HydrophobicContact CD1-CD1 4.42Å; F164-F439 AromaticContact CD1-CD2 3.97Å; F164-F439 HydrophobicContact CD1-CD2 3.97Å; F164-F439 AromaticContact CD1-CG 3.7Å; F164-F439 HydrophobicContact CD1-CG 3.7Å; F164-F439 HydrophobicContact CD2-CD1 4.45Å; F164-F439 AromaticContact CD2-CD2 3.48Å; F164-F439 HydrophobicContact CD2-CD2 3.48Å; F164-F439 VanDerWaalsContact CD2-CD2 3.48Å; F164-F439 AromaticContact CD2-CE2 3.68Å; F164-F439 HydrophobicContact CD2-CE2 3.68Å; F164-F439 AromaticContact CD2-CG 3.91Å; F164-F439 HydrophobicContact CD2-CG 3.91Å; F164-F439 HydrophobicContact CD2-CZ 4.25Å; F164-F439 HydrophobicContact CE1-CB 3.5Å; F164-F439 VanDerWaalsContact CE1-CB 3.5Å; F164-F439 AromaticContact CE1-CD2 3.87Å; F164-F439 HydrophobicContact CE1-CD2 3.87Å; F164-F439 AromaticContact CE1-CG 3.92Å; F164-F439 HydrophobicContact CE1-CG 3.92Å; F164-F439 AromaticContact CE2-CD2 3.36Å; F164-F439 HydrophobicContact CE2-CD2 3.36Å; F164-F439 AromaticContact CE2-CE2 3.73Å; F164-F439 HydrophobicContact CE2-CE2 3.73Å; F164-F439 HydrophobicContact CE2-CG 4.11Å; F164-F439 HydrophobicContact CG-CB 3.98Å; F164-F439 HydrophobicContact CG-CD1 4.14Å; F164-F439 AromaticContact CG-CD2 3.79Å; F164-F439 HydrophobicContact CG-CD2 3.79Å; F164-F439 HydrophobicContact CG-CE2 4.3Å; F164-F439 AromaticContact CG-CG 3.7Å; F164-F439 HydrophobicContact CG-CG 3.7Å; F164-F439 HydrophobicContact CZ-CB 4.09Å; F164-F439 AromaticContact CZ-CD2 3.57Å; F164-F439 HydrophobicContact CZ-CD2 3.57Å; F164-F439 HydrophobicContact CZ-CE2 4.38Å; F164-F439 HydrophobicContact CZ-CG 4.12Å; L435-F439 HydrophobicContact CD2-CD2 4.35Å; L435-F439 HydrophobicContact CD2-CE2 3.95Å; L435-F439 VanDerWaalsContact O-CD2 3.3Å; L435-F439 WeakPolarHBondContact O-CD2 3.22Å; L435-F439 PolarHBondContact O-N 2.99Å; L435-F439 VanDerWaalsContact O-N 3.13Å; D437-F439 VanDerWaalsContact C-N 3.34Å; D437-F439 PolarHBondContact O-N 3.37Å; F439-F445 WeakPolarHBondContact O-CZ 3.36Å
440T97.3Very high97.5Very high14 Ų1423.7 Ų23.79%0.08613%0.126CC..Hα-helixtrans-126.4-15.1-168.475.40000115F164 S222 A223 L436 D437 L442F164-T440 HydrophobicContact CE1-CG2 4.31Å; S222-T440 PolarHBondContact OG-OG1 3.48Å; A223-T440 HydrophobicContact CB-CG2 3.97Å; A223-T440 WeakPolarHBondContact CB-OG1 3.33Å; A223-T440 PolarHBondContact N-OG1 2.91Å; L436-T440 VanDerWaalsContact O-CB 3.28Å; L436-T440 WeakPolarHBondContact O-CB 3.36Å; L436-T440 WeakPolarHBondContact O-CG2 3.36Å; L436-T440 PolarHBondContact O-N 3.36Å; L436-T440 PolarHBondContact O-OG1 3.27Å; D437-T440 PolarHBondContact O-N 3.45Å; T440-L442 PolarHBondContact O-N 2.76Å; T440-L442 VanDerWaalsContact O-N 3.16Å
441H97.3Very high97.6Very high4 Ų420.6 Ų20.62%0.01911%0.113CC..  trans-66117.6179.9-168.4-71.9000110T221 C267 D437 G443 N444 F445 C471T221-H441 CarbonylContact O-C 3.58Å; T221-H441 VanDerWaalsContact O-CA 3.28Å; T221-H441 WeakPolarHBondContact O-CA 3.33Å; C267-H441 VanDerWaalsContact CB-CE1 3.43Å; C267-H441 WeakPolarHBondContact CB-CE1 3.34Å; C267-H441 VanDerWaalsContact SG-CE1 3.51Å; D437-H441 WeakPolarHBondContact O-CB 3.28Å; D437-H441 PolarHBondContact O-N 2.87Å; H441-G443 PolarHBondContact ND1-N 3.36Å; H441-G443 PolarHBondContact O-N 3.03Å; H441-N444 WeakPolarHBondContact O-CB 3.27Å; H441-N444 PolarHBondContact O-N 3.13Å; H441-F445 WeakPolarHBondContact O-CD2 3.29Å; H441-C471 WeakPolarHBondContact NE2-CB 3.17Å
442L97.3Very high97.6Very high5 Ų525.5 Ų25.53%0.02613%0.132CC..G310 helixtrans-57.4-29.7-174-65.7176.5000113.7A202 L203 T221 T440 N444 F445 L473 V476 Y477A202-L442 HydrophobicContact CB-CD1 4.14Å; A202-L442 HydrophobicContact CB-CD2 3.73Å; L203-L442 HydrophobicContact CD2-CD2 3.94Å; L203-L442 HydrophobicContact CG-CD2 4.42Å; T221-L442 PolarHBondContact O-N 3.33Å; T440-L442 PolarHBondContact O-N 2.76Å; T440-L442 VanDerWaalsContact O-N 3.16Å; L442-N444 PolarHBondContact O-N 2.96Å; L442-F445 PolarHBondContact O-N 2.93Å; L442-L473 HydrophobicContact CD1-CD2 4.12Å; L442-V476 HydrophobicContact CB-CG1 3.76Å; L442-V476 HydrophobicContact CB-CG2 4.38Å; L442-V476 HydrophobicContact CD1-CG1 4.34Å; L442-Y477 HydrophobicContact CD1-CE2 4.05Å; L442-Y477 WeakPolarHBondContact CD1-OH 3.37Å
443G96.3Very high97.6Very high12 Ų1225.5 Ų25.512%0.12413%0.132CC..G310 helixtrans-62.1-20.7174.300000114.9P264 H441 F445P264-G443 WeakPolarHBondContact CG-O 3.29Å; H441-G443 PolarHBondContact ND1-N 3.36Å; H441-G443 PolarHBondContact O-N 3.03Å; G443-F445 PolarHBondContact O-N 2.91Å
444N97.2Very high97.7Very high38 Ų3823.6 Ų23.620%0.20313%0.125CC..G310 helixtrans-76-11.5174.2-71.3-29.6000112.6T38 A262 P264 D437 Y438 H441 L442T38-N444 VanDerWaalsContact CB-O 3.23Å; T38-N444 WeakPolarHBondContact CB-O 3.38Å; T38-N444 WeakPolarHBondContact CG2-O 3.37Å; A262-N444 PolarHBondContact O-ND2 3.15Å; P264-N444 WeakPolarHBondContact CD-OD1 3.47Å; P264-N444 VanDerWaalsContact CG-OD1 3.23Å; P264-N444 WeakPolarHBondContact CG-OD1 3.43Å; D437-N444 PolarHBondContact O-ND2 2.78Å; D437-N444 VanDerWaalsContact O-ND2 3.07Å; Y438-N444 PolarHBondContact O-ND2 3.41Å; Y438-N444 VanDerWaalsContact O-ND2 3.07Å; H441-N444 WeakPolarHBondContact O-CB 3.27Å; H441-N444 PolarHBondContact O-N 3.13Å; L442-N444 PolarHBondContact O-N 2.96Å
445F97.7Very high97.7Very high15 Ų1523.1 Ų23.17%0.06612%0.123CC..SBendtrans-106161-177-64.6-101.8000111.1M34 T38 I171 L203 T206 F439 H441 L442 G443M34-F445 HydrophobicContact CE-CE2 4.24Å; M34-F445 HydrophobicContact CE-CZ 3.84Å; M34-F445 HydrophobicContact SD-CZ 4.11Å; T38-F445 HydrophobicContact CG2-CD1 4Å; T38-F445 HydrophobicContact CG2-CE1 3.93Å; T38-F445 HydrophobicContact CG2-CG 4.31Å; T38-F445 HydrophobicContact CG2-CZ 4.18Å; T38-F445 CarbonylContact O-C 3.51Å; I171-F445 HydrophobicContact CD1-CE1 4.39Å; L203-F445 HydrophobicContact CD2-CD1 4.21Å; L203-F445 HydrophobicContact CD2-CD2 3.76Å; L203-F445 HydrophobicContact CD2-CE1 3.91Å; L203-F445 HydrophobicContact CD2-CE2 3.42Å; L203-F445 VanDerWaalsContact CD2-CE2 3.42Å; L203-F445 HydrophobicContact CD2-CG 4.16Å; L203-F445 HydrophobicContact CD2-CZ 3.52Å; T206-F445 HydrophobicContact CG2-CB 3.76Å; F439-F445 WeakPolarHBondContact O-CZ 3.36Å; H441-F445 WeakPolarHBondContact O-CD2 3.29Å; L442-F445 PolarHBondContact O-N 2.93Å; G443-F445 PolarHBondContact O-N 2.91Å
446S97.8Very high97.7Very high19 Ų1923.3 Ų23.313%0.13312%0.124CC..PPolyproline II helixtrans-57138.6173.6-62.10000110.7T38 N39 R40 T206T38-S446 PolarHBondContact O-N 3.32Å; T38-S446 PolarHBondContact O-OG 2.86Å; N39-S446 WeakPolarHBondContact CA-OG 3.49Å; R40-S446 PolarHBondContact N-OG 3.49Å; T206-S446 WeakPolarHBondContact CB-O 3.4Å; T206-S446 WeakPolarHBondContact CG2-O 3.22Å
447P97.1Very high97.7Very high92 Ų9223.5 Ų23.560%0.59713%0.125SC*.PPolyproline II helixtrans-62.2146.4175.126.7-34000110.2R40R40-P447 PolarHBondContact NH1-O 3.24Å
448V97.7Very high97.7Very high15 Ų1523 Ų239%0.09112%0.123CC..PPolyproline II helixtrans-56.5149.9170.5-65.10000110.5A205 L214 D450 V454 Y477A205-V448 HydrophobicContact CB-CG1 3.84Å; L214-V448 HydrophobicContact CD2-CG1 4.27Å; V448-D450 VanDerWaalsContact C-N 3.28Å; V448-D450 PolarHBondContact O-N 2.78Å; V448-V454 HydrophobicContact CG2-CG2 3.84Å; V448-Y477 HydrophobicContact CG1-CE1 4.02Å; V448-Y477 HydrophobicContact CG2-CD1 3.96Å; V448-Y477 HydrophobicContact CG2-CE1 3.96Å
449I97.8Very high97.5Very high71 Ų7121.2 Ų21.236%0.36412%0.116SC..SBendtrans-56.6-41.9-175.8-66-71.4000112.3R40 P211R40-I449 VanDerWaalsContact NH1-CD1 3.27Å; P211-I449 HydrophobicContact CG-CG2 4.07Å
450D98Very high97.2Very high15 Ų1522.5 Ų22.58%0.0812%0.122CC..  trans-140.7105178.4-175.2-3.1000110.1V448 R452 L453 Y519V448-D450 VanDerWaalsContact C-N 3.28Å; V448-D450 PolarHBondContact O-N 2.78Å; D450-R452 PolarHBondContact O-N 2.71Å; D450-R452 VanDerWaalsContact O-N 3.17Å; D450-R452 WeakPolarHBondContact OD1-CB 3.2Å; D450-R452 VanDerWaalsContact OD1-CG 3.27Å; D450-R452 WeakPolarHBondContact OD1-CG 3.37Å; D450-R452 IonicContact OD1-CZ 3.77Å; D450-R452 PolarHBondContact OD1-N 3.35Å; D450-R452 IonicContact OD1-NE 2.82Å; D450-R452 PolarHBondContact OD1-NE 3.03Å; D450-R452 IonicContact OD1-NH2 3.81Å; D450-R452 IonicContact OD2-CZ 3.82Å; D450-R452 VanDerWaalsContact OD2-CZ 3.24Å; D450-R452 IonicContact OD2-NE 2.93Å; D450-R452 PolarHBondContact OD2-NE 3.36Å; D450-R452 IonicContact OD2-NH2 3.85Å; D450-R452 PolarHBondContact OD2-NH2 3.12Å; D450-L453 HydrophobicContact CB-CD1 4.44Å; D450-L453 HydrophobicContact CB-CG 4.3Å; D450-L453 WeakPolarHBondContact O-CB 3.41Å; D450-L453 PolarHBondContact O-N 3.23Å; D450-Y519 VanDerWaalsContact CB-OH 3.31Å; D450-Y519 WeakPolarHBondContact CB-OH 3.47Å; D450-Y519 PolarHBondContact OD2-OH 2.63Å; D450-Y519 VanDerWaalsContact OD2-OH 3.04Å
451S97.9Very high96.9Very high13 Ų1327.1 Ų27.19%0.09114%0.139CC..G310 helixtrans-65.9-15.7-179.967.70000113.1L453 V454 N479 G480S451-L453 PolarHBondContact O-N 3.42Å; S451-V454 WeakPolarHBondContact O-CB 3.48Å; S451-V454 PolarHBondContact O-N 3.46Å; S451-V454 VanDerWaalsContact O-N 3.12Å; S451-N479 CarbonylContact O-C 3.52Å; S451-N479 VanDerWaalsContact OG-CB 3.27Å; S451-N479 WeakPolarHBondContact OG-CB 3.45Å; S451-N479 PolarHBondContact OG-N 2.84Å; S451-N479 VanDerWaalsContact OG-N 3.13Å; S451-N479 PolarHBondContact OG-ND2 2.71Å; S451-G480 WeakPolarHBondContact O-CA 3.06Å; S451-G480 PolarHBondContact O-N 3.31Å
452R98.3Very high96.8Very high103 Ų10327.4 Ų27.439%0.38914%0.14SC..G310 helixtrans-64.1-23.4173.1-59.6173.4-62.8178.14.2111.6D450 V454 N479 Q514 L518D450-R452 PolarHBondContact O-N 2.71Å; D450-R452 VanDerWaalsContact O-N 3.17Å; D450-R452 WeakPolarHBondContact OD1-CB 3.2Å; D450-R452 VanDerWaalsContact OD1-CG 3.27Å; D450-R452 WeakPolarHBondContact OD1-CG 3.37Å; D450-R452 IonicContact OD1-CZ 3.77Å; D450-R452 PolarHBondContact OD1-N 3.35Å; D450-R452 IonicContact OD1-NE 2.82Å; D450-R452 PolarHBondContact OD1-NE 3.03Å; D450-R452 IonicContact OD1-NH2 3.81Å; D450-R452 IonicContact OD2-CZ 3.82Å; D450-R452 VanDerWaalsContact OD2-CZ 3.24Å; D450-R452 IonicContact OD2-NE 2.93Å; D450-R452 PolarHBondContact OD2-NE 3.36Å; D450-R452 IonicContact OD2-NH2 3.85Å; D450-R452 PolarHBondContact OD2-NH2 3.12Å; R452-V454 PolarHBondContact O-N 2.78Å; R452-N479 HydrophobicContact CG-CB 3.64Å; R452-Q514 VanDerWaalsContact O-CD 3.26Å; R452-Q514 PolarHBondContact O-NE2 3.42Å; R452-Q514 PolarHBondContact O-OE1 3.47Å; R452-L518 HydrophobicContact CB-CD1 4.11Å
453L98.5Very high96.5Very high0 Ų027.1 Ų27.10%014%0.139CC..G310 helixtrans-87.518.4175.4-57.5-174.8000113P211 I212 L214 D450 S451 C511 Q514 Q515 L518 Y519P211-L453 HydrophobicContact CB-CD1 3.66Å; I212-L453 WeakPolarHBondContact O-CB 3.42Å; L214-L453 PolarHBondContact N-O 3.22Å; D450-L453 HydrophobicContact CB-CD1 4.44Å; D450-L453 HydrophobicContact CB-CG 4.3Å; D450-L453 WeakPolarHBondContact O-CB 3.41Å; D450-L453 PolarHBondContact O-N 3.23Å; S451-L453 PolarHBondContact O-N 3.42Å; L453-C511 PolarHBondContact O-SG 2.9Å; L453-Q514 HydrophobicContact CD2-CG 4.24Å; L453-Q515 HydrophobicContact CD1-CB 4.19Å; L453-Q515 HydrophobicContact CD1-CG 3.99Å; L453-Q515 HydrophobicContact CD2-CB 3.84Å; L453-Q515 HydrophobicContact CD2-CG 4.49Å; L453-L518 HydrophobicContact CD2-CD1 3.91Å; L453-Y519 HydrophobicContact CD1-CD2 4.34Å; L453-Y519 HydrophobicContact CD1-CE2 3.86Å; L453-Y519 HydrophobicContact CG-CE2 4.45Å
454V98.7Very high96.4Very high3 Ų327.4 Ų27.42%0.01814%0.137CC..BIsolated β-bridgetrans-110.2124.2175.6-174.20000109.8L214 V448 S451 R452 Y477 G480 E481L214-V454 HydrophobicContact CB-CG2 4.23Å; L214-V454 HydrophobicContact CD2-CG1 4.15Å; L214-V454 HydrophobicContact CD2-CG2 4.13Å; L214-V454 HydrophobicContact CG-CG1 4.32Å; L214-V454 WeakPolarHBondContact O-CA 3.43Å; V448-V454 HydrophobicContact CG2-CG2 3.84Å; S451-V454 WeakPolarHBondContact O-CB 3.48Å; S451-V454 PolarHBondContact O-N 3.46Å; S451-V454 VanDerWaalsContact O-N 3.12Å; R452-V454 PolarHBondContact O-N 2.78Å; V454-Y477 HydrophobicContact CB-CG 4.28Å; V454-Y477 HydrophobicContact CG1-CD1 4.41Å; V454-Y477 HydrophobicContact CG1-CD2 3.67Å; V454-Y477 HydrophobicContact CG1-CE2 3.91Å; V454-Y477 HydrophobicContact CG1-CG 3.93Å; V454-Y477 HydrophobicContact CG2-CD1 4Å; V454-Y477 HydrophobicContact CG2-CE1 4.26Å; V454-Y477 HydrophobicContact CG2-CG 4.22Å; V454-G480 CarbonylContact O-C 3.54Å; V454-G480 WeakPolarHBondContact O-CA 3.5Å; V454-E481 PolarHBondContact O-N 3.44Å
455L98.5Very high96.3Very high2 Ų225.8 Ų25.81%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-131.296.1176.8-167.6176.1000108.8L214 I215 V457 E481 R483 A507 D510 C511L214-L455 PolarHBondContact O-N 3.43Å; I215-L455 WeakPolarHBondContact CA-O 3.39Å; L455-V457 HydrophobicContact CD2-CG2 3.81Å; L455-E481 CarbonylContact C-O 3.53Å; L455-E481 WeakPolarHBondContact CA-O 3.25Å; L455-E481 HydrophobicContact CG-CB 4.24Å; L455-R483 HydrophobicContact CD2-CB 4.42Å; L455-R483 HydrophobicContact CD2-CG 3.91Å; L455-A507 HydrophobicContact CD1-CB 4.05Å; L455-A507 HydrophobicContact CD2-CB 3.68Å; L455-A507 HydrophobicContact CG-CB 4.46Å; L455-D510 HydrophobicContact CD1-CB 4.19Å; L455-C511 HydrophobicContact CB-CB 4.49Å
456S98.1Very high96Very high4 Ų425.8 Ų25.83%0.02813%0.13CC..EExtended strand (participates in β ladder)trans-84.2134179.5-57.80000110.6P216 E481 I482 R483P216-S456 WeakPolarHBondContact CG-OG 3.44Å; P216-S456 WeakPolarHBondContact O-CA 3.47Å; S456-E481 PolarHBondContact N-O 2.94Å; S456-I482 CarbonylContact O-C 3.46Å; S456-I482 WeakPolarHBondContact O-CA 3.47Å; S456-R483 PolarHBondContact O-N 3.27Å
457V97.2Very high95.7Very high3 Ų327.8 Ų27.82%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-110.1115.2175.5-174.10000109.2P216 C217 L218 L455 R483 L485 F504 A507P216-V457 PolarHBondContact O-N 2.93Å; P216-V457 VanDerWaalsContact O-N 3.11Å; C217-V457 CarbonylContact C-O 3.53Å; C217-V457 WeakPolarHBondContact CA-O 3.29Å; C217-V457 HydrophobicContact CB-CB 4.36Å; L218-V457 PolarHBondContact N-O 3.11Å; L455-V457 HydrophobicContact CD2-CG2 3.81Å; V457-R483 CarbonylContact C-O 3.51Å; V457-R483 WeakPolarHBondContact CA-O 3.24Å; V457-L485 HydrophobicContact CG1-CD1 3.81Å; V457-L485 HydrophobicContact CG1-CD2 3.92Å; V457-L485 HydrophobicContact CG1-CG 3.72Å; V457-F504 HydrophobicContact CB-CD1 4.21Å; V457-F504 HydrophobicContact CB-CE1 4.18Å; V457-F504 HydrophobicContact CG1-CD1 3.95Å; V457-F504 HydrophobicContact CG1-CE1 3.7Å; V457-F504 HydrophobicContact CG2-CD1 4.42Å; V457-A507 HydrophobicContact CG2-CB 3.84Å
458A96.3Very high95.2Very high4 Ų426.3 Ų26.33%0.03314%0.136CC..EExtended strand (participates in β ladder)trans-117.6147.8-175.300000111.7W220 I482 R483 F484 L485W220-A458 HydrophobicContact CZ3-CB 4.2Å; A458-I482 HydrophobicContact CB-CG2 4.3Å; A458-R483 PolarHBondContact N-O 3.26Å; A458-F484 HydrophobicContact CB-CD1 3.85Å; A458-F484 HydrophobicContact CB-CE1 3.8Å; A458-F484 CarbonylContact O-C 3.51Å; A458-F484 VanDerWaalsContact O-CA 3.3Å; A458-F484 WeakPolarHBondContact O-CA 3.4Å; A458-L485 PolarHBondContact O-N 3.43Å
459A94.7Very high94.6Very high0 Ų027.5 Ų27.50%015%0.145CC..EExtended strand (participates in β ladder)trans-86.6135.2171.700000110.5L218 Y461 D462 R467 A493L218-A459 HydrophobicContact CD2-CB 3.74Å; A459-Y461 VanDerWaalsContact C-N 3.34Å; A459-Y461 PolarHBondContact O-N 3.01Å; A459-D462 HydrophobicContact CB-CB 4Å; A459-D462 PolarHBondContact O-N 3.06Å; A459-R467 PolarHBondContact O-NH1 2.95Å; A459-A493 HydrophobicContact CB-CB 4.02Å
460E91.5Very high94.2Very high40 Ų4024.7 Ų24.719%0.18713%0.131CC..THydrogen-bonded Turntrans-57.5-46.4-177-170.3-177.2171.800111.6R467 L485 P486 Q487 S488E460-R467 PolarHBondContact O-NH2 3.28Å; E460-L485 PolarHBondContact N-O 2.65Å; E460-P486 WeakPolarHBondContact OE2-CA 3.45Å; E460-Q487 PolarHBondContact OE2-N 3.41Å; E460-S488 PolarHBondContact N-O 3.44Å
461Y91.7Very high93.9Very high111 Ų11124.1 Ų24.144%0.43513%0.128SC..THydrogen-bonded Turntrans-111.734.7-176-55-60.7000113.2S2 A459 A463 S488S2-Y461 PolarHBondContact N-O 3.35Å; A459-Y461 VanDerWaalsContact C-N 3.34Å; A459-Y461 PolarHBondContact O-N 3.01Å; Y461-A463 PolarHBondContact O-N 2.77Å; Y461-S488 PolarHBondContact N-O 3.15Å
462D93.4Very high93.7Very high10 Ų1024.1 Ų24.15%0.05313%0.128CC..  trans-53.8118.5179.3-159.4-42.8000111.5A459 Y464 V465 H490A459-D462 HydrophobicContact CB-CB 4Å; A459-D462 PolarHBondContact O-N 3.06Å; D462-Y464 WeakPolarHBondContact OD1-CA 3.44Å; D462-Y464 PolarHBondContact OD1-N 2.86Å; D462-V465 PolarHBondContact OD1-N 3.09Å; D462-H490 WeakPolarHBondContact OD1-CB 3.5Å; D462-H490 IonicContact OD1-CG 3.57Å; D462-H490 IonicContact OD1-ND1 3.8Å; D462-H490 PolarHBondContact OD1-ND1 3.15Å; D462-H490 IonicContact OD2-CE1 3.56Å; D462-H490 IonicContact OD2-CG 2.71Å; D462-H490 IonicContact OD2-ND1 2.73Å; D462-H490 PolarHBondContact OD2-ND1 3.41Å
463A93Very high93.5Very high0 Ų019.5 Ų19.50%011%0.111CC..SBendtrans-100.2-8.4177.800000113.2M1 D5 G230 I231 Y461M1-A463 HydrophobicContact CB-CB 3.9Å; M1-A463 HydrophobicContact CG-CB 4.04Å; M1-A463 HydrophobicContact SD-CB 4.32Å; D5-A463 HydrophobicContact CB-CB 3.97Å; D5-A463 PolarHBondContact OD2-N 2.81Å; G230-A463 WeakPolarHBondContact CA-O 3.43Å; I231-A463 HydrophobicContact CD1-CB 3.37Å; I231-A463 HydrophobicContact CG1-CB 4.01Å; I231-A463 WeakPolarHBondContact CG1-O 3.22Å; I231-A463 PolarHBondContact N-O 3.45Å; Y461-A463 PolarHBondContact O-N 2.77Å
464Y93.6Very high93.3Very high18 Ų1823 Ų237%0.07113%0.126CC..SBendtrans-87-35.1173.6-79.1-105.4000111.2D5 I231 L232 D462 P466 H490 V491D5-Y464 HydrophobicContact CB-CD2 4.09Å; D5-Y464 HydrophobicContact CB-CE2 3.79Å; I231-Y464 HydrophobicContact CB-CD2 4.49Å; I231-Y464 HydrophobicContact CB-CE2 4.5Å; I231-Y464 HydrophobicContact CD1-CD2 4.27Å; I231-Y464 HydrophobicContact CD1-CE2 4.14Å; I231-Y464 HydrophobicContact CG2-CE1 4.31Å; I231-Y464 HydrophobicContact CG2-CE2 4.37Å; L232-Y464 HydrophobicContact CD1-CD1 4.18Å; L232-Y464 HydrophobicContact CD2-CD1 4.42Å; L232-Y464 HydrophobicContact CD2-CE1 4.09Å; L232-Y464 HydrophobicContact CG-CD1 3.85Å; L232-Y464 HydrophobicContact CG-CE1 4.03Å; D462-Y464 WeakPolarHBondContact OD1-CA 3.44Å; D462-Y464 PolarHBondContact OD1-N 2.86Å; Y464-P466 VanDerWaalsContact C-CD 3.47Å; Y464-P466 WeakPolarHBondContact O-CD 3.27Å; Y464-H490 HydrophobicContact CD2-CB 3.52Å; Y464-H490 AromaticContact CD2-CG 3.85Å; Y464-H490 HydrophobicContact CE2-CB 4.34Å; Y464-H490 HydrophobicContact CG-CB 4.04Å; Y464-H490 AromaticContact CG-CD2 3.95Å; Y464-H490 AromaticContact CG-CG 3.88Å; Y464-V491 HydrophobicContact CD2-CG2 4.46Å; Y464-V491 HydrophobicContact CE2-CG2 3.65Å
465V94.1Very high93.1Very high3 Ų325.9 Ų25.92%0.01814%0.141CC..SBendtrans-121.374.7-178.5-171.30000109.5Y199 L218 W220 V226 D462Y199-V465 WeakPolarHBondContact OH-CG1 3.32Å; L218-V465 WeakPolarHBondContact O-CG2 3.26Å; W220-V465 HydrophobicContact CB-CG1 3.64Å; V226-V465 HydrophobicContact CG2-CG2 4.08Å; D462-V465 PolarHBondContact OD1-N 3.09Å
466P92.6Very high93Very high16 Ų1626.8 Ų26.810%0.10415%0.146CC..  trans-65.5140.3172.228.8-32.7000109.9M1 C225 E229 Y464M1-P466 HydrophobicContact CE-CB 4.26Å; C225-P466 HydrophobicContact CB-CG 4.29Å; C225-P466 VanDerWaalsContact CB-O 3.24Å; C225-P466 WeakPolarHBondContact CB-O 3.17Å; C225-P466 WeakPolarHBondContact O-CD 3.41Å; C225-P466 WeakPolarHBondContact O-CG 3.05Å; E229-P466 HydrophobicContact CB-CG 3.65Å; Y464-P466 VanDerWaalsContact C-CD 3.47Å; Y464-P466 WeakPolarHBondContact O-CD 3.27Å
467R91.5Very high92.9Very high61 Ų6126.9 Ų26.923%0.2315%0.146CC..  trans-104.8-4.1-172-63.9178.9-68.5-90.32.1114.5W220 A459 E460 S469W220-R467 HydrophobicContact CD2-CG 3.84Å; W220-R467 HydrophobicContact CE3-CG 4.16Å; W220-R467 HydrophobicContact CG-CG 4.17Å; W220-R467 HydrophobicContact CZ2-CG 4.35Å; A459-R467 PolarHBondContact O-NH1 2.95Å; E460-R467 PolarHBondContact O-NH2 3.28Å; R467-S469 VanDerWaalsContact C-N 3.3Å; R467-S469 PolarHBondContact O-N 3.08Å
468G85.3Confident92.8Very high61 Ų6130.7 Ų30.763%0.62917%0.171SC*.THydrogen-bonded Turntrans-70.9-19.2-169.600000115.6
469S85.8Confident92.9Very high40 Ų4035.7 Ų35.728%0.2820%0.197SC..THydrogen-bonded Turntrans-113.35.1-173.556.90000114.1E229 R467E229-S469 WeakPolarHBondContact OE1-CB 3.44Å; E229-S469 PolarHBondContact OE1-OG 3.1Å; E229-S469 VanDerWaalsContact OE2-CB 3.28Å; E229-S469 WeakPolarHBondContact OE2-CB 3.46Å; E229-S469 PolarHBondContact OE2-OG 3.12Å; R467-S469 VanDerWaalsContact C-N 3.3Å; R467-S469 PolarHBondContact O-N 3.08Å
470V90.1Very high93Very high11 Ų1135.9 Ų35.97%0.06720%0.199CC..SBendtrans-131.1148.3-170.1-75.90000110.9W220 C225W220-V470 HydrophobicContact CG-CG2 4.35Å; C225-V470 HydrophobicContact CB-CG1 3.72Å; C225-V470 HydrophobicContact CB-CG2 4.1Å
471C91.6Very high93.3Very high3 Ų337.6 Ų37.62%0.0221%0.207CC..  trans-52.9141.3-179.8-175.40000111.7W220 T221 C267 H441W220-C471 PolarHBondContact NE1-O 2.86Å; T221-C471 HydrophobicContact CG2-CB 4.32Å; T221-C471 WeakPolarHBondContact CG2-O 3.28Å; T221-C471 PolarHBondContact OG1-O 3.19Å; C267-C471 HydrophobicContact CB-CB 4.02Å; C267-C471 WeakPolarHBondContact O-CB 3.28Å; H441-C471 WeakPolarHBondContact NE2-CB 3.17Å
472S93Very high93.5Very high14 Ų1432.7 Ų32.710%0.09819%0.188CC..  trans-60.6140.6173171.90000111.5D276 K474 I475D276-S472 WeakPolarHBondContact OD2-CB 3.32Å; D276-S472 PolarHBondContact OD2-OG 2.99Å; S472-K474 PolarHBondContact O-N 3.15Å; S472-K474 WeakPolarHBondContact OG-CB 3.22Å; S472-K474 PolarHBondContact OG-N 3.02Å; S472-I475 PolarHBondContact O-N 3.38Å; S472-I475 VanDerWaalsContact O-N 3.11Å
473L94.6Very high93.6Very high5 Ų535.2 Ų35.23%0.02620%0.197CC..Hα-helixtrans-61.4-23.6169.3-77177.3000112.6W220 T221 L442 I475 V476 Y477 I482W220-L473 HydrophobicContact CD2-CD1 3.9Å; W220-L473 HydrophobicContact CD2-CG 3.78Å; W220-L473 HydrophobicContact CE3-CD1 3.37Å; W220-L473 HydrophobicContact CE3-CG 3.8Å; W220-L473 HydrophobicContact CG-CG 4.38Å; W220-L473 HydrophobicContact CH2-CB 4.19Å; W220-L473 HydrophobicContact CH2-CD1 3.99Å; W220-L473 HydrophobicContact CH2-CG 4.1Å; W220-L473 HydrophobicContact CZ2-CB 4.19Å; W220-L473 HydrophobicContact CZ2-CD1 4.45Å; W220-L473 HydrophobicContact CZ2-CG 4.08Å; W220-L473 HydrophobicContact CZ3-CB 4.46Å; W220-L473 HydrophobicContact CZ3-CD1 3.43Å; W220-L473 VanDerWaalsContact CZ3-CD1 3.43Å; W220-L473 HydrophobicContact CZ3-CG 3.96Å; T221-L473 HydrophobicContact CG2-CD2 3.68Å; T221-L473 HydrophobicContact CG2-CG 4.21Å; L442-L473 HydrophobicContact CD1-CD2 4.12Å; L473-I475 VanDerWaalsContact C-N 3.28Å; L473-I475 PolarHBondContact O-N 3.18Å; L473-V476 PolarHBondContact O-N 2.97Å; L473-Y477 HydrophobicContact CB-CD2 4.5Å; L473-Y477 HydrophobicContact CD2-CD2 4.01Å; L473-Y477 HydrophobicContact CD2-CE2 3.86Å; L473-Y477 WeakPolarHBondContact O-CA 3.46Å; L473-Y477 WeakPolarHBondContact O-CB 3.38Å; L473-Y477 PolarHBondContact O-N 3.14Å; L473-I482 HydrophobicContact CB-CD1 3.84Å
474K94.8Very high93.7Very high73 Ų7336.9 Ų36.932%0.31721%0.205SC..Hα-helixtrans-69.3-25.3175.3-69.9-65.8-169.5168.50113.1Y281 S472 Y477 P478 G480 I482Y281-K474 WeakPolarHBondContact OH-CE 3.33Å; S472-K474 PolarHBondContact O-N 3.15Å; S472-K474 WeakPolarHBondContact OG-CB 3.22Å; S472-K474 PolarHBondContact OG-N 3.02Å; K474-Y477 CarbonylContact O-C 3.51Å; K474-P478 WeakPolarHBondContact O-CA 3.47Å; K474-G480 PolarHBondContact NZ-O 3.43Å; K474-I482 HydrophobicContact CD-CD1 4.22Å; K474-I482 HydrophobicContact CG-CD1 3.93Å
475I94.4Very high93.7Very high64 Ų6436.6 Ų36.633%0.32820%0.204SC..Hα-helixtrans-72.7-43.9174.2-65.7168.4000109.6F266 S472 L473F266-I475 HydrophobicContact CD2-CG2 3.98Å; F266-I475 HydrophobicContact CE2-CG2 4.37Å; S472-I475 PolarHBondContact O-N 3.38Å; S472-I475 VanDerWaalsContact O-N 3.11Å; L473-I475 VanDerWaalsContact C-N 3.28Å; L473-I475 PolarHBondContact O-N 3.18Å
476V94.9Very high93.5Very high21 Ų2140.1 Ų40.113%0.12723%0.227CC..Hα-helixtrans-74.9-34.5-180-1770000111.9T221 L442 L473 P478T221-V476 HydrophobicContact CG2-CG2 3.78Å; L442-V476 HydrophobicContact CB-CG1 3.76Å; L442-V476 HydrophobicContact CB-CG2 4.38Å; L442-V476 HydrophobicContact CD1-CG1 4.34Å; L473-V476 PolarHBondContact O-N 2.97Å; V476-P478 WeakPolarHBondContact O-CD 3.49Å
477Y96.6Very high93.2Very high6 Ų644.9 Ų44.92%0.02425%0.248CC..SBendtrans-125.774.4-178.4-54-49.4000110.5L442 V448 V454 L473 K474 N479 G480L442-Y477 HydrophobicContact CD1-CE2 4.05Å; L442-Y477 WeakPolarHBondContact CD1-OH 3.37Å; V448-Y477 HydrophobicContact CG1-CE1 4.02Å; V448-Y477 HydrophobicContact CG2-CD1 3.96Å; V448-Y477 HydrophobicContact CG2-CE1 3.96Å; V454-Y477 HydrophobicContact CB-CG 4.28Å; V454-Y477 HydrophobicContact CG1-CD1 4.41Å; V454-Y477 HydrophobicContact CG1-CD2 3.67Å; V454-Y477 HydrophobicContact CG1-CE2 3.91Å; V454-Y477 HydrophobicContact CG1-CG 3.93Å; V454-Y477 HydrophobicContact CG2-CD1 4Å; V454-Y477 HydrophobicContact CG2-CE1 4.26Å; V454-Y477 HydrophobicContact CG2-CG 4.22Å; L473-Y477 HydrophobicContact CB-CD2 4.5Å; L473-Y477 HydrophobicContact CD2-CD2 4.01Å; L473-Y477 HydrophobicContact CD2-CE2 3.86Å; L473-Y477 WeakPolarHBondContact O-CA 3.46Å; L473-Y477 WeakPolarHBondContact O-CB 3.38Å; L473-Y477 PolarHBondContact O-N 3.14Å; K474-Y477 CarbonylContact O-C 3.51Å; Y477-N479 VanDerWaalsContact C-N 3.27Å; Y477-N479 PolarHBondContact O-N 3.23Å; Y477-G480 PolarHBondContact O-N 2.9Å
478P95.8Very high93.1Very high84 Ų8442.3 Ų42.355%0.54524%0.24SC..THydrogen-bonded Turntrans-56.9-36.8-172.619.7-32.5000114K474 V476K474-P478 WeakPolarHBondContact O-CA 3.47Å; V476-P478 WeakPolarHBondContact O-CD 3.49Å
479N97.2Very high93.5Very high108 Ų10839.7 Ų39.758%0.57821%0.212SC*.THydrogen-bonded Turntrans-100.89.9177.3-48.8-69.8000113.9S451 R452 Y477S451-N479 CarbonylContact O-C 3.52Å; S451-N479 VanDerWaalsContact OG-CB 3.27Å; S451-N479 WeakPolarHBondContact OG-CB 3.45Å; S451-N479 PolarHBondContact OG-N 2.84Å; S451-N479 VanDerWaalsContact OG-N 3.13Å; S451-N479 PolarHBondContact OG-ND2 2.71Å; R452-N479 HydrophobicContact CG-CB 3.64Å; Y477-N479 VanDerWaalsContact C-N 3.27Å; Y477-N479 PolarHBondContact O-N 3.23Å
480G97.2Very high93.8Very high5 Ų538.4 Ų38.45%0.05220%0.202CC..  trans-78.8153.8179.600000112.6S451 V454 K474 Y477S451-G480 WeakPolarHBondContact O-CA 3.06Å; S451-G480 PolarHBondContact O-N 3.31Å; V454-G480 CarbonylContact O-C 3.54Å; V454-G480 WeakPolarHBondContact O-CA 3.5Å; K474-G480 PolarHBondContact NZ-O 3.43Å; Y477-G480 PolarHBondContact O-N 2.9Å
481E97.5Very high93.8Very high76 Ų7638.5 Ų38.536%0.35520%0.202SC..EExtended strand (participates in β ladder)trans-92.9142.1173.4-170.7-173.6165.100110.4V454 L455 S456 R483V454-E481 PolarHBondContact O-N 3.44Å; L455-E481 CarbonylContact C-O 3.53Å; L455-E481 WeakPolarHBondContact CA-O 3.25Å; L455-E481 HydrophobicContact CG-CB 4.24Å; S456-E481 PolarHBondContact N-O 2.94Å; E481-R483 VanDerWaalsContact CD-NE 3.35Å; E481-R483 HydrophobicContact CG-CG 4.27Å; E481-R483 WeakPolarHBondContact OE1-CG 3.42Å; E481-R483 IonicContact OE1-CZ 3.62Å; E481-R483 IonicContact OE1-NE 2.94Å; E481-R483 PolarHBondContact OE1-NE 2.91Å; E481-R483 IonicContact OE1-NH2 3.64Å; E481-R483 IonicContact OE2-CZ 3.86Å; E481-R483 IonicContact OE2-NE 3.2Å; E481-R483 PolarHBondContact OE2-NE 3.33Å; E481-R483 IonicContact OE2-NH2 2.8Å; E481-R483 PolarHBondContact OE2-NH2 3.02Å; E481-R483 VanDerWaalsContact OE2-NH2 3.15Å
482I97Very high93.6Very high7 Ų739.3 Ų39.34%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-119.7119167.5-51.5174000108.1W220 S456 A458 L473 K474 F484W220-I482 HydrophobicContact CH2-CD1 4.01Å; W220-I482 HydrophobicContact CZ3-CG2 4.5Å; S456-I482 CarbonylContact O-C 3.46Å; S456-I482 WeakPolarHBondContact O-CA 3.47Å; A458-I482 HydrophobicContact CB-CG2 4.3Å; L473-I482 HydrophobicContact CB-CD1 3.84Å; K474-I482 HydrophobicContact CD-CD1 4.22Å; K474-I482 HydrophobicContact CG-CD1 3.93Å; I482-F484 HydrophobicContact CB-CE2 4.28Å; I482-F484 HydrophobicContact CG2-CD2 4.15Å; I482-F484 HydrophobicContact CG2-CE1 4.29Å; I482-F484 HydrophobicContact CG2-CE2 3.66Å; I482-F484 HydrophobicContact CG2-CZ 3.74Å
483R96Very high93.6Very high63 Ų6338.7 Ų38.724%0.23821%0.207CC..EExtended strand (participates in β ladder)trans-100.9111.4174.2-66.7-170.2-173167.6-0.2110.2L455 S456 V457 A458 E481 D510L455-R483 HydrophobicContact CD2-CB 4.42Å; L455-R483 HydrophobicContact CD2-CG 3.91Å; S456-R483 PolarHBondContact O-N 3.27Å; V457-R483 CarbonylContact C-O 3.51Å; V457-R483 WeakPolarHBondContact CA-O 3.24Å; A458-R483 PolarHBondContact N-O 3.26Å; E481-R483 VanDerWaalsContact CD-NE 3.35Å; E481-R483 HydrophobicContact CG-CG 4.27Å; E481-R483 WeakPolarHBondContact OE1-CG 3.42Å; E481-R483 IonicContact OE1-CZ 3.62Å; E481-R483 IonicContact OE1-NE 2.94Å; E481-R483 PolarHBondContact OE1-NE 2.91Å; E481-R483 IonicContact OE1-NH2 3.64Å; E481-R483 IonicContact OE2-CZ 3.86Å; E481-R483 IonicContact OE2-NE 3.2Å; E481-R483 PolarHBondContact OE2-NE 3.33Å; E481-R483 IonicContact OE2-NH2 2.8Å; E481-R483 PolarHBondContact OE2-NH2 3.02Å; E481-R483 VanDerWaalsContact OE2-NH2 3.15Å; R483-D510 IonicContact CZ-OD2 2.72Å; R483-D510 IonicContact NH1-OD2 2.86Å; R483-D510 PolarHBondContact NH1-OD2 3.37Å; R483-D510 IonicContact NH2-OD2 3.13Å; R483-D510 PolarHBondContact NH2-OD2 3.18Å
484F94.7Very high93.3Very high36 Ų3640.6 Ų40.616%0.15821%0.214CC..EExtended strand (participates in β ladder)trans-83.3128.7173.2-69.7-80000111.2Y281 A458 I482 P486Y281-F484 HydrophobicContact CD2-CD2 4.47Å; Y281-F484 HydrophobicContact CD2-CE2 4.23Å; Y281-F484 HydrophobicContact CE2-CD2 4.35Å; Y281-F484 AromaticContact CE2-CE2 3.8Å; Y281-F484 HydrophobicContact CE2-CE2 3.8Å; A458-F484 HydrophobicContact CB-CD1 3.85Å; A458-F484 HydrophobicContact CB-CE1 3.8Å; A458-F484 CarbonylContact O-C 3.51Å; A458-F484 VanDerWaalsContact O-CA 3.3Å; A458-F484 WeakPolarHBondContact O-CA 3.4Å; I482-F484 HydrophobicContact CB-CE2 4.28Å; I482-F484 HydrophobicContact CG2-CD2 4.15Å; I482-F484 HydrophobicContact CG2-CE1 4.29Å; I482-F484 HydrophobicContact CG2-CE2 3.66Å; I482-F484 HydrophobicContact CG2-CZ 3.74Å; F484-P486 VanDerWaalsContact O-CD 3.3Å; F484-P486 WeakPolarHBondContact O-CD 3.39Å
485L93.1Very high92.9Very high11 Ų1137.6 Ų37.66%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-83.3108.4172-60.9-179.9000108.6V457 A458 E460 A493 D503 F504V457-L485 HydrophobicContact CG1-CD1 3.81Å; V457-L485 HydrophobicContact CG1-CD2 3.92Å; V457-L485 HydrophobicContact CG1-CG 3.72Å; A458-L485 PolarHBondContact O-N 3.43Å; E460-L485 PolarHBondContact N-O 2.65Å; L485-A493 HydrophobicContact CD1-CB 3.63Å; L485-D503 HydrophobicContact CD2-CB 3.83Å; L485-D503 WeakPolarHBondContact CD2-OD2 3.29Å; L485-F504 HydrophobicContact CD1-CE1 4.03Å
486P89.9Confident92.4Very high77 Ų7738 Ų3850%0.520%0.201SC..THydrogen-bonded Turntrans-66.2145.2-171.927.3-34.9000110.5E460 F484 S488E460-P486 WeakPolarHBondContact OE2-CA 3.45Å; F484-P486 VanDerWaalsContact O-CD 3.3Å; F484-P486 WeakPolarHBondContact O-CD 3.39Å; P486-S488 PolarHBondContact O-N 3.5Å; P486-S488 PolarHBondContact O-OG 2.63Å
487Q86.8Confident91.9Very high117 Ų11737.5 Ų37.555%0.54720%0.198SC..THydrogen-bonded Turntrans55.528.2173.8-56.6174.9-1.200113.6E460E460-Q487 PolarHBondContact OE2-N 3.41Å
488S89.3Confident91Very high7 Ų738 Ų385%0.04920%0.202CC..  trans-119.6138.4-175.5-56.60000110.8E460 Y461 P486E460-S488 PolarHBondContact N-O 3.44Å; Y461-S488 PolarHBondContact N-O 3.15Å; P486-S488 PolarHBondContact O-N 3.5Å; P486-S488 PolarHBondContact O-OG 2.63Å
489G92.5Very high90Very high5 Ų537 Ų375%0.05219%0.192CC..  trans-89.3-176.9160.400000111.1D5 A493D5-G489 WeakPolarHBondContact OD2-CA 3.49Å; G489-A493 WeakPolarHBondContact O-CB 3.41Å; G489-A493 PolarHBondContact O-N 3.49Å
490H93.6Very high88.9Confident14 Ų1437.6 Ų37.67%0.06519%0.186CC..Hα-helixtrans-59.7-55.5-178.7-162.391.1000112.3D5 S195 L218 D462 Y464 A493 Y494D5-H490 PolarHBondContact OD1-N 3.03Å; D5-H490 PolarHBondContact OD2-N 3.24Å; S195-H490 VanDerWaalsContact CB-NE2 3.28Å; S195-H490 WeakPolarHBondContact CB-NE2 3.36Å; S195-H490 PolarHBondContact OG-CE1 2.79Å; S195-H490 PolarHBondContact OG-NE2 2.51Å; L218-H490 VanDerWaalsContact CB-CE1 3.46Å; L218-H490 WeakPolarHBondContact CB-CE1 3.29Å; L218-H490 WeakPolarHBondContact CD1-O 3.06Å; L218-H490 PolarHBondContact O-CE1 2.96Å; L218-H490 VanDerWaalsContact O-CE1 3.28Å; D462-H490 WeakPolarHBondContact OD1-CB 3.5Å; D462-H490 IonicContact OD1-CG 3.57Å; D462-H490 IonicContact OD1-ND1 3.8Å; D462-H490 PolarHBondContact OD1-ND1 3.15Å; D462-H490 IonicContact OD2-CE1 3.56Å; D462-H490 IonicContact OD2-CG 2.71Å; D462-H490 IonicContact OD2-ND1 2.73Å; D462-H490 PolarHBondContact OD2-ND1 3.41Å; Y464-H490 HydrophobicContact CD2-CB 3.52Å; Y464-H490 AromaticContact CD2-CG 3.85Å; Y464-H490 HydrophobicContact CE2-CB 4.34Å; Y464-H490 HydrophobicContact CG-CB 4.04Å; Y464-H490 AromaticContact CG-CD2 3.95Å; Y464-H490 AromaticContact CG-CG 3.88Å; H490-A493 PolarHBondContact O-N 3.31Å; H490-Y494 PolarHBondContact O-N 3.35Å; H490-Y494 VanDerWaalsContact O-N 3.08Å
491V89.8Confident87.9Confident12 Ų1239.9 Ų39.97%0.07320%0.199CC..Hα-helixtrans-71.8-40.4-176.9-171.80000109.2F4 D5 Y8 Y464 A493 Y494 V495F4-V491 HydrophobicContact CD1-CB 4.03Å; F4-V491 HydrophobicContact CD1-CG1 4.24Å; F4-V491 HydrophobicContact CE1-CB 3.94Å; F4-V491 HydrophobicContact CE1-CG1 3.64Å; D5-V491 WeakPolarHBondContact OD1-CB 3.34Å; D5-V491 PolarHBondContact OD1-N 3.38Å; Y8-V491 HydrophobicContact CD1-CG1 4.21Å; Y8-V491 HydrophobicContact CD1-CG2 3.88Å; Y8-V491 HydrophobicContact CD2-CG1 4.04Å; Y8-V491 HydrophobicContact CE2-CG1 4.39Å; Y8-V491 HydrophobicContact CG-CG1 3.94Å; Y8-V491 HydrophobicContact CG-CG2 4.15Å; Y464-V491 HydrophobicContact CD2-CG2 4.46Å; Y464-V491 HydrophobicContact CE2-CG2 3.65Å; V491-A493 VanDerWaalsContact C-N 3.34Å; V491-A493 PolarHBondContact O-N 2.94Å; V491-Y494 PolarHBondContact O-N 2.85Å; V491-V495 HydrophobicContact CG1-CG2 4.24Å; V491-V495 WeakPolarHBondContact O-CB 3.2Å; V491-V495 VanDerWaalsContact O-CG2 3.27Å; V491-V495 WeakPolarHBondContact O-CG2 3.21Å; V491-V495 PolarHBondContact O-N 3.33Å
492G88Confident87.5Confident20 Ų2039.4 Ų39.421%0.20620%0.199CC..Hα-helixtrans-57.5-45.2175.400000112.3K496G492-K496 WeakPolarHBondContact O-CB 3.16Å; G492-K496 PolarHBondContact O-N 3.26Å
493A91.1Very high87.3Confident1 Ų141.3 Ų41.31%0.00821%0.209CC..Hα-helixtrans-62.3-47.2176.100000111.9L218 A459 L485 G489 H490 V491 V495 K496 N497L218-A493 HydrophobicContact CD1-CB 4.09Å; L218-A493 HydrophobicContact CD2-CB 3.95Å; A459-A493 HydrophobicContact CB-CB 4.02Å; L485-A493 HydrophobicContact CD1-CB 3.63Å; G489-A493 WeakPolarHBondContact O-CB 3.41Å; G489-A493 PolarHBondContact O-N 3.49Å; H490-A493 PolarHBondContact O-N 3.31Å; V491-A493 VanDerWaalsContact C-N 3.34Å; V491-A493 PolarHBondContact O-N 2.94Å; A493-V495 PolarHBondContact O-N 2.9Å; A493-K496 PolarHBondContact O-N 3.28Å; A493-N497 WeakPolarHBondContact O-CB 3.36Å; A493-N497 PolarHBondContact O-N 2.96Å
494Y89.1Confident87.2Confident46 Ų4638.4 Ų38.418%0.1820%0.198CC..Hα-helixtrans-58.1-49.5177.6176.6-100.6000112.3I194 F343 H490 V491 S498I194-Y494 HydrophobicContact CD1-CD2 3.9Å; I194-Y494 HydrophobicContact CD1-CE2 3.78Å; I194-Y494 HydrophobicContact CG2-CD2 4.04Å; F343-Y494 HydrophobicContact CE1-CE1 4.26Å; H490-Y494 PolarHBondContact O-N 3.35Å; H490-Y494 VanDerWaalsContact O-N 3.08Å; V491-Y494 PolarHBondContact O-N 2.85Å; Y494-S498 WeakPolarHBondContact O-CB 3.45Å; Y494-S498 PolarHBondContact O-N 3.5Å; Y494-S498 PolarHBondContact O-OG 3.06Å
495V85.8Confident87.3Confident9 Ų938.6 Ų38.66%0.05520%0.198CC..Hα-helixtrans-64.1-49.9179.8169.70000110.6I339 F343 V491 A493 N497 S498 I499I339-V495 HydrophobicContact CG2-CG1 4.15Å; F343-V495 HydrophobicContact CD1-CG2 4.24Å; F343-V495 HydrophobicContact CD2-CG1 4.28Å; F343-V495 HydrophobicContact CD2-CG2 4.07Å; F343-V495 HydrophobicContact CE1-CG2 3.87Å; F343-V495 HydrophobicContact CE2-CB 4.07Å; F343-V495 HydrophobicContact CE2-CG1 3.37Å; F343-V495 HydrophobicContact CE2-CG2 3.7Å; F343-V495 HydrophobicContact CG-CG2 4.34Å; F343-V495 HydrophobicContact CZ-CB 3.94Å; F343-V495 HydrophobicContact CZ-CG1 3.62Å; F343-V495 HydrophobicContact CZ-CG2 3.6Å; V491-V495 HydrophobicContact CG1-CG2 4.24Å; V491-V495 WeakPolarHBondContact O-CB 3.2Å; V491-V495 VanDerWaalsContact O-CG2 3.27Å; V491-V495 WeakPolarHBondContact O-CG2 3.21Å; V491-V495 PolarHBondContact O-N 3.33Å; A493-V495 PolarHBondContact O-N 2.9Å; V495-N497 VanDerWaalsContact C-N 3.3Å; V495-N497 PolarHBondContact O-N 3.31Å; V495-S498 PolarHBondContact O-N 2.66Å; V495-S498 VanDerWaalsContact O-N 3.16Å; V495-I499 HydrophobicContact CG1-CD1 3.81Å; V495-I499 WeakPolarHBondContact O-CG1 3.39Å; V495-I499 PolarHBondContact O-N 3.4Å; V495-I499 VanDerWaalsContact O-N 3.12Å
496K85.3Confident87.4Confident72 Ų7244.1 Ų44.131%0.31322%0.221SC..Hα-helixtrans-60.1-42-178.6-174.9-172.8-173.5-175.70111.7G492 A493 I499 W500 T501G492-K496 WeakPolarHBondContact O-CB 3.16Å; G492-K496 PolarHBondContact O-N 3.26Å; A493-K496 PolarHBondContact O-N 3.28Å; K496-I499 PolarHBondContact O-N 2.9Å; K496-W500 HydrophobicContact CB-CE3 4.14Å; K496-W500 HydrophobicContact CB-CZ3 4.43Å; K496-W500 HydrophobicContact CG-CE3 3.86Å; K496-W500 HydrophobicContact CG-CZ3 4.45Å; K496-W500 PolarHBondContact O-N 3.03Å; K496-T501 HydrophobicContact CD-CG2 4.2Å; K496-T501 HydrophobicContact CG-CG2 3.93Å; K496-T501 PolarHBondContact O-N 3.12Å; K496-T501 VanDerWaalsContact O-N 3.15Å; K496-T501 PolarHBondContact O-OG1 2.91Å
497N83.4Confident87.7Confident11 Ų1140.5 Ų40.56%0.05920%0.198CC..Iπ-helixtrans-64.4-43176.4179.672000112.4A493 V495 I499 T501 N502 D503 F504A493-N497 WeakPolarHBondContact O-CB 3.36Å; A493-N497 PolarHBondContact O-N 2.96Å; V495-N497 VanDerWaalsContact C-N 3.3Å; V495-N497 PolarHBondContact O-N 3.31Å; N497-I499 VanDerWaalsContact C-N 3.28Å; N497-I499 PolarHBondContact O-N 2.93Å; N497-T501 WeakPolarHBondContact CA-OG1 3.32Å; N497-N502 PolarHBondContact O-N 2.77Å; N497-N502 VanDerWaalsContact OD1-C 3.23Å; N497-N502 WeakPolarHBondContact OD1-CA 3.29Å; N497-D503 WeakPolarHBondContact OD1-CA 3.35Å; N497-D503 PolarHBondContact OD1-N 3.26Å; N497-F504 HydrophobicContact CB-CD2 4.13Å; N497-F504 HydrophobicContact CB-CE1 4.41Å; N497-F504 HydrophobicContact CB-CE2 3.92Å; N497-F504 HydrophobicContact CB-CG 4.41Å; N497-F504 HydrophobicContact CB-CZ 4.07Å; N497-F504 VanDerWaalsContact CG-CD2 3.44Å; N497-F504 VanDerWaalsContact CG-CG 3.48Å; N497-F504 WeakPolarHBondContact ND2-CD2 3.48Å; N497-F504 WeakPolarHBondContact ND2-CE2 3.32Å; N497-F504 VanDerWaalsContact ND2-CG 3.26Å; N497-F504 WeakPolarHBondContact ND2-CG 3.25Å; N497-F504 PolarHBondContact OD1-N 3.36Å
498S78.1Confident88.2Confident18 Ų1834.9 Ų34.913%0.12617%0.171CC..Iπ-helixtrans-67.1-27.4-178-57.90000113.3Y494 V495Y494-S498 WeakPolarHBondContact O-CB 3.45Å; Y494-S498 PolarHBondContact O-N 3.5Å; Y494-S498 PolarHBondContact O-OG 3.06Å; V495-S498 PolarHBondContact O-N 2.66Å; V495-S498 VanDerWaalsContact O-N 3.16Å
499I74.7Confident88.6Confident62 Ų6234.8 Ų34.832%0.31817%0.171SC..Iπ-helixtrans-105.5-40.4-173.7-55.2175.5000112.3F343 V495 K496 N497F343-I499 HydrophobicContact CE2-CD1 3.82Å; F343-I499 HydrophobicContact CZ-CD1 3.98Å; F343-I499 HydrophobicContact CZ-CG1 4.42Å; V495-I499 HydrophobicContact CG1-CD1 3.81Å; V495-I499 WeakPolarHBondContact O-CG1 3.39Å; V495-I499 PolarHBondContact O-N 3.4Å; V495-I499 VanDerWaalsContact O-N 3.12Å; K496-I499 PolarHBondContact O-N 2.9Å; N497-I499 VanDerWaalsContact C-N 3.28Å; N497-I499 PolarHBondContact O-N 2.93Å
500W73.6Confident88.8Confident121 Ų12136.9 Ų36.946%0.45818%0.181SC..Iπ-helixtrans-124.6-52.4-163.4-59-55.2000114.6I339 K496I339-W500 HydrophobicContact CD1-CH2 4.25Å; K496-W500 HydrophobicContact CB-CE3 4.14Å; K496-W500 HydrophobicContact CB-CZ3 4.43Å; K496-W500 HydrophobicContact CG-CE3 3.86Å; K496-W500 HydrophobicContact CG-CZ3 4.45Å; K496-W500 PolarHBondContact O-N 3.03Å
501T77Confident89Confident52 Ų5236.2 Ų36.232%0.31918%0.178SC..Iπ-helixtrans-92.4-26.5-160.852.50000114.8K496 N497 D503K496-T501 HydrophobicContact CD-CG2 4.2Å; K496-T501 HydrophobicContact CG-CG2 3.93Å; K496-T501 PolarHBondContact O-N 3.12Å; K496-T501 VanDerWaalsContact O-N 3.15Å; K496-T501 PolarHBondContact O-OG1 2.91Å; N497-T501 WeakPolarHBondContact CA-OG1 3.32Å; T501-D503 WeakPolarHBondContact CB-OD2 3.2Å; T501-D503 PolarHBondContact O-N 3.4Å; T501-D503 VanDerWaalsContact O-N 3.14Å; T501-D503 PolarHBondContact OG1-OD2 3.47Å
502N89.3Confident89.4Confident66 Ų6635.6 Ų35.635%0.35317%0.174SC..  trans5326.6-175.5-58.9-68.7000113.8N497 F504 R505 K506N497-N502 PolarHBondContact O-N 2.77Å; N497-N502 VanDerWaalsContact OD1-C 3.23Å; N497-N502 WeakPolarHBondContact OD1-CA 3.29Å; N502-F504 VanDerWaalsContact C-N 3.3Å; N502-F504 PolarHBondContact O-N 3.33Å; N502-R505 HydrophobicContact CB-CB 4.22Å; N502-R505 PolarHBondContact O-N 3.4Å; N502-K506 PolarHBondContact O-N 3.31Å
503D92.4Very high89.9Confident48 Ų4835.8 Ų35.826%0.25717%0.17SC..Hα-helixtrans-53.4-43.2178.5-62.6-52.9000112.4L485 N497 T501 K506 A507L485-D503 HydrophobicContact CD2-CB 3.83Å; L485-D503 WeakPolarHBondContact CD2-OD2 3.29Å; N497-D503 WeakPolarHBondContact OD1-CA 3.35Å; N497-D503 PolarHBondContact OD1-N 3.26Å; T501-D503 WeakPolarHBondContact CB-OD2 3.2Å; T501-D503 PolarHBondContact O-N 3.4Å; T501-D503 VanDerWaalsContact O-N 3.14Å; T501-D503 PolarHBondContact OG1-OD2 3.47Å; D503-K506 PolarHBondContact O-N 3.18Å; D503-A507 WeakPolarHBondContact O-CB 3.31Å; D503-A507 PolarHBondContact O-N 3.06Å
504F94.6Very high90.2Very high1 Ų138.7 Ų38.70%0.00418%0.183CC..Hα-helixtrans-68.3-41.3180-57.4-16.1000111.6I194 C217 L218 V457 L485 N497 N502 K506 A507 I508I194-F504 HydrophobicContact CD1-CD2 3.6Å; I194-F504 HydrophobicContact CD1-CE2 3.56Å; I194-F504 HydrophobicContact CG1-CD2 3.88Å; I194-F504 HydrophobicContact CG1-CE2 3.77Å; I194-F504 HydrophobicContact CG2-CE2 4.33Å; C217-F504 HydrophobicContact CB-CD1 4.07Å; C217-F504 HydrophobicContact CB-CE1 3.88Å; C217-F504 HydrophobicContact CB-CE2 4.38Å; C217-F504 HydrophobicContact CB-CG 4.4Å; C217-F504 HydrophobicContact CB-CZ 4.07Å; C217-F504 WeakPolarHBondContact SG-CD1 3.26Å; L218-F504 HydrophobicContact CD1-CZ 4.19Å; L218-F504 HydrophobicContact CG-CZ 4.2Å; V457-F504 HydrophobicContact CB-CD1 4.21Å; V457-F504 HydrophobicContact CB-CE1 4.18Å; V457-F504 HydrophobicContact CG1-CD1 3.95Å; V457-F504 HydrophobicContact CG1-CE1 3.7Å; V457-F504 HydrophobicContact CG2-CD1 4.42Å; L485-F504 HydrophobicContact CD1-CE1 4.03Å; N497-F504 HydrophobicContact CB-CD2 4.13Å; N497-F504 HydrophobicContact CB-CE1 4.41Å; N497-F504 HydrophobicContact CB-CE2 3.92Å; N497-F504 HydrophobicContact CB-CG 4.41Å; N497-F504 HydrophobicContact CB-CZ 4.07Å; N497-F504 VanDerWaalsContact CG-CD2 3.44Å; N497-F504 VanDerWaalsContact CG-CG 3.48Å; N497-F504 WeakPolarHBondContact ND2-CD2 3.48Å; N497-F504 WeakPolarHBondContact ND2-CE2 3.32Å; N497-F504 VanDerWaalsContact ND2-CG 3.26Å; N497-F504 WeakPolarHBondContact ND2-CG 3.25Å; N497-F504 PolarHBondContact OD1-N 3.36Å; N502-F504 VanDerWaalsContact C-N 3.3Å; N502-F504 PolarHBondContact O-N 3.33Å; F504-K506 VanDerWaalsContact C-N 3.34Å; F504-A507 PolarHBondContact O-N 2.99Å; F504-I508 WeakPolarHBondContact O-CG1 3.31Å; F504-I508 PolarHBondContact O-N 3.35Å
505R95.1Very high90.6Very high41 Ų4137.1 Ų37.116%0.15518%0.178CC..Hα-helixtrans-62.3-43.7175-177.7-165.2176.5178.1-4.1110.8L125 S128 L129 D132 N502 I508 S509L125-R505 HydrophobicContact CD1-CB 4Å; S128-R505 PolarHBondContact O-NE 3.43Å; S128-R505 PolarHBondContact O-NH2 3.49Å; S128-R505 VanDerWaalsContact OG-CD 3.29Å; S128-R505 WeakPolarHBondContact OG-CD 3.02Å; L129-R505 HydrophobicContact CD2-CG 3.84Å; D132-R505 IonicContact OD1-CZ 3.61Å; D132-R505 IonicContact OD1-NE 2.69Å; D132-R505 IonicContact OD1-NH2 3.93Å; D132-R505 PolarHBondContact OD1-NH2 3.07Å; D132-R505 IonicContact OD2-CZ 2.75Å; D132-R505 IonicContact OD2-NE 3.24Å; D132-R505 PolarHBondContact OD2-NE 2.64Å; D132-R505 IonicContact OD2-NH2 3.25Å; D132-R505 PolarHBondContact OD2-NH2 2.84Å; N502-R505 HydrophobicContact CB-CB 4.22Å; N502-R505 PolarHBondContact O-N 3.4Å; R505-I508 PolarHBondContact O-N 3.3Å; R505-S509 PolarHBondContact O-N 3.42Å; R505-S509 VanDerWaalsContact O-N 3.09Å; R505-S509 PolarHBondContact O-OG 3.1Å
506K95.2Very high91.2Very high127 Ų12736.7 Ų36.755%0.55218%0.175SC*.Hα-helixtrans-62.7-44.1177-174.2179.9177.1-173.10111.3N502 D503 F504 I508 S509 D510N502-K506 PolarHBondContact O-N 3.31Å; D503-K506 PolarHBondContact O-N 3.18Å; F504-K506 VanDerWaalsContact C-N 3.34Å; K506-I508 VanDerWaalsContact C-N 3.32Å; K506-I508 PolarHBondContact O-N 3.43Å; K506-S509 PolarHBondContact O-N 2.95Å; K506-D510 WeakPolarHBondContact O-CB 3.36Å; K506-D510 PolarHBondContact O-N 2.87Å
507A97Very high91.7Very high0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-58.5-41.7175.800000112.6I215 L455 V457 D503 F504 D510 C511I215-A507 HydrophobicContact CG2-CB 3.61Å; L455-A507 HydrophobicContact CD1-CB 4.05Å; L455-A507 HydrophobicContact CD2-CB 3.68Å; L455-A507 HydrophobicContact CG-CB 4.46Å; V457-A507 HydrophobicContact CG2-CB 3.84Å; D503-A507 WeakPolarHBondContact O-CB 3.31Å; D503-A507 PolarHBondContact O-N 3.06Å; F504-A507 PolarHBondContact O-N 2.99Å; A507-D510 PolarHBondContact O-N 3.18Å; A507-C511 VanDerWaalsContact O-CB 3.27Å; A507-C511 WeakPolarHBondContact O-CB 3.48Å; A507-C511 PolarHBondContact O-N 3.44Å
508I97.9Very high92.4Very high0 Ų040.3 Ų40.30%019%0.194CC..Hα-helixtrans-60-50.9174.6-67.5163.3000110.9C107 L125 L129 I134 H192 I215 F504 R505 K506 D510 C511 L512C107-I508 HydrophobicContact CB-CG2 4.37Å; L125-I508 HydrophobicContact CD1-CD1 4.05Å; L125-I508 HydrophobicContact CD2-CD1 3.99Å; L125-I508 HydrophobicContact CG-CD1 4.43Å; L129-I508 HydrophobicContact CD1-CD1 4.06Å; L129-I508 HydrophobicContact CD2-CB 4.28Å; L129-I508 HydrophobicContact CD2-CD1 4.32Å; L129-I508 HydrophobicContact CD2-CG2 3.9Å; I134-I508 HydrophobicContact CD1-CG2 4.25Å; H192-I508 HydrophobicContact CB-CD1 4.08Å; H192-I508 HydrophobicContact CB-CG1 4.28Å; I215-I508 HydrophobicContact CB-CG1 4.29Å; I215-I508 HydrophobicContact CD1-CB 4.5Å; I215-I508 HydrophobicContact CD1-CG1 4.12Å; I215-I508 HydrophobicContact CG1-CG1 4.18Å; I215-I508 HydrophobicContact CG2-CG1 4.33Å; F504-I508 WeakPolarHBondContact O-CG1 3.31Å; F504-I508 PolarHBondContact O-N 3.35Å; R505-I508 PolarHBondContact O-N 3.3Å; K506-I508 VanDerWaalsContact C-N 3.32Å; K506-I508 PolarHBondContact O-N 3.43Å; I508-D510 PolarHBondContact O-N 2.94Å; I508-C511 PolarHBondContact O-N 3.45Å; I508-L512 HydrophobicContact CG2-CD1 3.86Å; I508-L512 WeakPolarHBondContact O-CB 3.19Å; I508-L512 WeakPolarHBondContact O-CG 3.42Å; I508-L512 PolarHBondContact O-N 2.86Å
509S97Very high93.2Very high5 Ų543.8 Ų43.84%0.03521%0.205CC..Hα-helixtrans-62.7-42.3179.7-67.60000112.4D132 R505 K506 N513D132-S509 PolarHBondContact OD2-OG 3.01Å; R505-S509 PolarHBondContact O-N 3.42Å; R505-S509 VanDerWaalsContact O-N 3.09Å; R505-S509 PolarHBondContact O-OG 3.1Å; K506-S509 PolarHBondContact O-N 2.95Å; S509-N513 WeakPolarHBondContact O-CB 3.5Å; S509-N513 PolarHBondContact O-N 3.01Å; S509-N513 PolarHBondContact O-ND2 3.34Å; S509-N513 VanDerWaalsContact O-ND2 3.08Å
510D97.2Very high94.1Very high48 Ų4845 Ų4526%0.25721%0.209SC..Hα-helixtrans-62.6-45.2178.3-69.9-12.1000111.3L455 R483 K506 A507 I508 N513 Q514L455-D510 HydrophobicContact CD1-CB 4.19Å; R483-D510 IonicContact CZ-OD2 2.72Å; R483-D510 IonicContact NH1-OD2 2.86Å; R483-D510 PolarHBondContact NH1-OD2 3.37Å; R483-D510 IonicContact NH2-OD2 3.13Å; R483-D510 PolarHBondContact NH2-OD2 3.18Å; K506-D510 WeakPolarHBondContact O-CB 3.36Å; K506-D510 PolarHBondContact O-N 2.87Å; A507-D510 PolarHBondContact O-N 3.18Å; I508-D510 PolarHBondContact O-N 2.94Å; D510-N513 PolarHBondContact O-N 2.97Å; D510-Q514 WeakPolarHBondContact O-CB 3.48Å; D510-Q514 PolarHBondContact O-N 3.3Å
511C97.7Very high95.1Very high0 Ų047.1 Ų47.10%022%0.224CC..Hα-helixtrans-67.9-41.5-179.1-164.70000112.4S213 I215 L453 L455 A507 I508 Q514 Q515S213-C511 VanDerWaalsContact CA-SG 3.56Å; S213-C511 WeakPolarHBondContact CB-SG 3.2Å; S213-C511 VanDerWaalsContact OG-C 3.22Å; S213-C511 PolarHBondContact OG-O 3.24Å; S213-C511 PolarHBondContact OG-SG 2.67Å; I215-C511 HydrophobicContact CD1-CB 3.96Å; I215-C511 HydrophobicContact CG1-CB 3.91Å; L453-C511 PolarHBondContact O-SG 2.9Å; L455-C511 HydrophobicContact CB-CB 4.49Å; A507-C511 VanDerWaalsContact O-CB 3.27Å; A507-C511 WeakPolarHBondContact O-CB 3.48Å; A507-C511 PolarHBondContact O-N 3.44Å; I508-C511 PolarHBondContact O-N 3.45Å; C511-Q514 WeakPolarHBondContact O-CB 3.3Å; C511-Q514 PolarHBondContact O-N 3.09Å; C511-Q515 PolarHBondContact O-N 3.48Å
512L98.1Very high95.9Very high0 Ų048.8 Ų48.80%023%0.228CC..Hα-helixtrans-66-39.3174.6-76.9168.9000111.9I134 P188 A190 S213 I508 Q514 Q515 V516 F526I134-L512 HydrophobicContact CD1-CD1 3.5Å; I134-L512 HydrophobicContact CG1-CD1 3.84Å; I134-L512 HydrophobicContact CG2-CD1 4.1Å; P188-L512 HydrophobicContact CB-CD2 4.38Å; P188-L512 HydrophobicContact CG-CD2 4.06Å; A190-L512 HydrophobicContact CB-CD1 4.19Å; A190-L512 HydrophobicContact CB-CD2 3.86Å; A190-L512 HydrophobicContact CB-CG 4Å; S213-L512 WeakPolarHBondContact OG-CA 3.26Å; S213-L512 PolarHBondContact OG-N 2.76Å; I508-L512 HydrophobicContact CG2-CD1 3.86Å; I508-L512 WeakPolarHBondContact O-CB 3.19Å; I508-L512 WeakPolarHBondContact O-CG 3.42Å; I508-L512 PolarHBondContact O-N 2.86Å; L512-Q514 VanDerWaalsContact C-N 3.3Å; L512-Q514 PolarHBondContact O-N 3.27Å; L512-Q515 PolarHBondContact O-N 3.49Å; L512-V516 WeakPolarHBondContact O-CG2 3.45Å; L512-V516 PolarHBondContact O-N 3.05Å; L512-F526 HydrophobicContact CB-CD2 3.55Å; L512-F526 HydrophobicContact CB-CE2 3.81Å; L512-F526 HydrophobicContact CB-CG 4.37Å
513N97.9Very high96.1Very high23 Ų2350.3 Ų50.312%0.12324%0.242CC..Hα-helixtrans-62-40.4174.3-77.7-25.8000111.5S509 D510 V516 Q517 G524 P525 F526S509-N513 WeakPolarHBondContact O-CB 3.5Å; S509-N513 PolarHBondContact O-N 3.01Å; S509-N513 PolarHBondContact O-ND2 3.34Å; S509-N513 VanDerWaalsContact O-ND2 3.08Å; D510-N513 PolarHBondContact O-N 2.97Å; N513-V516 PolarHBondContact O-N 3.46Å; N513-Q517 WeakPolarHBondContact O-CB 3.3Å; N513-Q517 PolarHBondContact O-N 2.84Å; N513-G524 WeakPolarHBondContact OD1-CA 3.14Å; N513-G524 PolarHBondContact OD1-O 3.23Å; N513-P525 VanDerWaalsContact OD1-N 3.14Å; N513-F526 PolarHBondContact ND2-O 2.68Å; N513-F526 WeakPolarHBondContact OD1-CB 3.25Å; N513-F526 VanDerWaalsContact OD1-CD2 3.26Å; N513-F526 WeakPolarHBondContact OD1-CD2 3.46Å; N513-F526 PolarHBondContact OD1-N 3.2Å
514Q97.6Very high96.1Very high62 Ų6248.1 Ų48.129%0.2923%0.231SC..Hα-helixtrans-65.4-39.6174.8-173.4174.5-1.800111.9R452 L453 D510 C511 L512 Q517 L518R452-Q514 VanDerWaalsContact O-CD 3.26Å; R452-Q514 PolarHBondContact O-NE2 3.42Å; R452-Q514 PolarHBondContact O-OE1 3.47Å; L453-Q514 HydrophobicContact CD2-CG 4.24Å; D510-Q514 WeakPolarHBondContact O-CB 3.48Å; D510-Q514 PolarHBondContact O-N 3.3Å; C511-Q514 WeakPolarHBondContact O-CB 3.3Å; C511-Q514 PolarHBondContact O-N 3.09Å; L512-Q514 VanDerWaalsContact C-N 3.3Å; L512-Q514 PolarHBondContact O-N 3.27Å; Q514-Q517 PolarHBondContact O-N 3.07Å; Q514-L518 HydrophobicContact CG-CD1 3.87Å; Q514-L518 HydrophobicContact CG-CG 4.31Å; Q514-L518 WeakPolarHBondContact O-CB 3.43Å; Q514-L518 VanDerWaalsContact O-CG 3.31Å; Q514-L518 WeakPolarHBondContact O-CG 3.44Å; Q514-L518 PolarHBondContact O-N 3.03Å
515Q97.9Very high96.1Very high13 Ų1350 Ų506%0.06124%0.243CC..Hα-helixtrans-60.1-46.5173.8-177.2170.1-1.200111.9P188 F189 P211 S213 L453 C511 L512 Q517 L518 Y519P188-Q515 HydrophobicContact CB-CG 4.29Å; F189-Q515 PolarHBondContact O-OE1 2.97Å; P211-Q515 PolarHBondContact O-NE2 3.08Å; P211-Q515 VanDerWaalsContact O-NE2 3.07Å; S213-Q515 PolarHBondContact OG-OE1 3.42Å; S213-Q515 VanDerWaalsContact OG-OE1 3.08Å; L453-Q515 HydrophobicContact CD1-CB 4.19Å; L453-Q515 HydrophobicContact CD1-CG 3.99Å; L453-Q515 HydrophobicContact CD2-CB 3.84Å; L453-Q515 HydrophobicContact CD2-CG 4.49Å; C511-Q515 PolarHBondContact O-N 3.48Å; L512-Q515 PolarHBondContact O-N 3.49Å; Q515-Q517 VanDerWaalsContact C-N 3.34Å; Q515-Q517 PolarHBondContact O-N 3.39Å; Q515-L518 PolarHBondContact O-N 3.27Å; Q515-Y519 HydrophobicContact CG-CD2 4.35Å; Q515-Y519 WeakPolarHBondContact O-CB 3.25Å; Q515-Y519 PolarHBondContact O-N 2.82Å
516V97.3Very high96.1Very high0 Ų048.1 Ų48.10%024%0.236CC..Hα-helixtrans-60.2-45.1175.81720000111.1Y103 P188 L512 N513 L518 H520 H521 E522 F526Y103-V516 HydrophobicContact CD2-CG2 4.42Å; Y103-V516 HydrophobicContact CE1-CG2 4.31Å; Y103-V516 HydrophobicContact CE2-CG1 3.93Å; Y103-V516 HydrophobicContact CE2-CG2 4.14Å; P188-V516 HydrophobicContact CG-CG2 4.13Å; L512-V516 WeakPolarHBondContact O-CG2 3.45Å; L512-V516 PolarHBondContact O-N 3.05Å; N513-V516 PolarHBondContact O-N 3.46Å; V516-L518 PolarHBondContact O-N 3.43Å; V516-H520 HydrophobicContact CG1-CB 4.28Å; V516-H520 CarbonylContact O-C 3.59Å; V516-H520 WeakPolarHBondContact O-CA 3.36Å; V516-H520 VanDerWaalsContact O-CB 3.3Å; V516-H520 WeakPolarHBondContact O-CB 3.45Å; V516-H520 PolarHBondContact O-N 2.95Å; V516-H521 PolarHBondContact O-N 3.46Å; V516-E522 HydrophobicContact CG1-CB 3.85Å; V516-F526 HydrophobicContact CG2-CE2 3.67Å; V516-F526 HydrophobicContact CG2-CZ 4.3Å
517Q96.9Very high95.7Very high108 Ų10843.6 Ų43.651%0.50523%0.225SC..Hα-helixtrans-64.1-41.3-179.6-168.4175.95.200112.8N513 Q514 Q515 E522N513-Q517 WeakPolarHBondContact O-CB 3.3Å; N513-Q517 PolarHBondContact O-N 2.84Å; Q514-Q517 PolarHBondContact O-N 3.07Å; Q515-Q517 VanDerWaalsContact C-N 3.34Å; Q515-Q517 PolarHBondContact O-N 3.39Å; Q517-E522 WeakPolarHBondContact CA-O 3.18Å
518L97.1Very high94.4Very high52 Ų5251.3 Ų51.327%0.27226%0.255SS..Hα-helixtrans-75.9-38.8-177.5-71.4175.5000113.3R452 L453 Q514 Q515 V516R452-L518 HydrophobicContact CB-CD1 4.11Å; L453-L518 HydrophobicContact CD2-CD1 3.91Å; Q514-L518 HydrophobicContact CG-CD1 3.87Å; Q514-L518 HydrophobicContact CG-CG 4.31Å; Q514-L518 WeakPolarHBondContact O-CB 3.43Å; Q514-L518 VanDerWaalsContact O-CG 3.31Å; Q514-L518 WeakPolarHBondContact O-CG 3.44Å; Q514-L518 PolarHBondContact O-N 3.03Å; Q515-L518 PolarHBondContact O-N 3.27Å; V516-L518 PolarHBondContact O-N 3.43Å
519Y96.5Very high92.3Very high90 Ų9057.9 Ų57.935%0.35329%0.288SS..Hα-helixtrans-111.3-16.1-169.1-71.8-82.6000115P211 D450 L453 Q515P211-Y519 HydrophobicContact CB-CD1 4.42Å; P211-Y519 HydrophobicContact CB-CD2 4Å; P211-Y519 HydrophobicContact CB-CE1 4Å; P211-Y519 HydrophobicContact CB-CE2 3.53Å; P211-Y519 HydrophobicContact CB-CG 4.41Å; P211-Y519 HydrophobicContact CG-CD1 3.84Å; P211-Y519 HydrophobicContact CG-CD2 4.31Å; P211-Y519 HydrophobicContact CG-CE1 3.29Å; P211-Y519 HydrophobicContact CG-CE2 3.82Å; P211-Y519 HydrophobicContact CG-CG 4.31Å; P211-Y519 WeakPolarHBondContact CG-OH 3.39Å; D450-Y519 VanDerWaalsContact CB-OH 3.31Å; D450-Y519 WeakPolarHBondContact CB-OH 3.47Å; D450-Y519 PolarHBondContact OD2-OH 2.63Å; D450-Y519 VanDerWaalsContact OD2-OH 3.04Å; L453-Y519 HydrophobicContact CD1-CD2 4.34Å; L453-Y519 HydrophobicContact CD1-CE2 3.86Å; L453-Y519 HydrophobicContact CG-CE2 4.45Å; Q515-Y519 HydrophobicContact CG-CD2 4.35Å; Q515-Y519 WeakPolarHBondContact O-CB 3.25Å; Q515-Y519 PolarHBondContact O-N 2.82Å
520H93.5Very high89.5Confident87 Ų8764.3 Ų64.340%0.40332%0.322SS..THydrogen-bonded Turntrans-117.2-5.5176.5-60.4-89.8000112.8Y103 V516 E522Y103-H520 AromaticContact CE1-CG 3.99Å; Y103-H520 AromaticContact CE1-ND1 3.92Å; Y103-H520 VanDerWaalsContact OH-CB 3.23Å; Y103-H520 WeakPolarHBondContact OH-CB 3.44Å; V516-H520 HydrophobicContact CG1-CB 4.28Å; V516-H520 CarbonylContact O-C 3.59Å; V516-H520 WeakPolarHBondContact O-CA 3.36Å; V516-H520 VanDerWaalsContact O-CB 3.3Å; V516-H520 WeakPolarHBondContact O-CB 3.45Å; V516-H520 PolarHBondContact O-N 2.95Å; H520-E522 PolarHBondContact O-N 2.69Å
521H94.1Very high86.4Confident166 Ų16667.8 Ų67.877%0.76935%0.346SS*.  trans56.228.8-179.9-53.2-58.2000114.1V516V516-H521 PolarHBondContact O-N 3.46Å
522E94.3Very high83.3Confident87 Ų8773.4 Ų73.441%0.40738%0.38SS..SBendtrans-114.7153.8179.3-72.3-179.7173.700111.4Y103 V516 Q517 H520 G524Y103-E522 WeakPolarHBondContact CE2-OE2 3.43Å; Y103-E522 PolarHBondContact OH-OE2 3.34Å; V516-E522 HydrophobicContact CG1-CB 3.85Å; Q517-E522 WeakPolarHBondContact CA-O 3.18Å; H520-E522 PolarHBondContact O-N 2.69Å; E522-G524 PolarHBondContact O-N 2.87Å
523P92.5Very high80.3Confident98 Ų9884.4 Ų84.464%0.63642%0.421SS*.  trans-61.1129.3168.9-19.831.9000110.8P525P523-P525 WeakPolarHBondContact O-CD 3.33Å
524G92.9Very high77.3Confident3 Ų392.4 Ų92.43%0.03146%0.455CS..  trans-54.9118.2177.100000112.9N513 E522 R528N513-G524 WeakPolarHBondContact OD1-CA 3.14Å; N513-G524 PolarHBondContact OD1-O 3.23Å; E522-G524 PolarHBondContact O-N 2.87Å; G524-R528 VanDerWaalsContact O-CZ 3.26Å; G524-R528 PolarHBondContact O-NE 3.2Å; G524-R528 PolarHBondContact O-NH2 2.73Å
525P94.4Very high74.3Confident40 Ų4096.4 Ų96.426%0.2648%0.478SS..  trans-89.9-10-171.435.2-36.1000114.1T101 Y103 N513 P523T101-P525 HydrophobicContact CG2-CB 3.73Å; T101-P525 HydrophobicContact CG2-CG 3.92Å; Y103-P525 HydrophobicContact CD2-CG 3.85Å; Y103-P525 HydrophobicContact CE2-CG 4.19Å; N513-P525 VanDerWaalsContact OD1-N 3.14Å; P523-P525 WeakPolarHBondContact O-CD 3.33Å
526F95.2Very high71.5Confident1 Ų1102.2 Ų102.20%0.00452%0.515CS..THydrogen-bonded Turntrans-81.2142.1-170.8-50.4-67.5000112.3T101 Y103 A105 I134 P188 L512 N513 V516 R528T101-F526 HydrophobicContact CG2-CD1 4.14Å; T101-F526 HydrophobicContact CG2-CE1 4.17Å; Y103-F526 HydrophobicContact CD2-CZ 4.27Å; Y103-F526 HydrophobicContact CG-CZ 4.14Å; A105-F526 HydrophobicContact CB-CD1 4.38Å; A105-F526 HydrophobicContact CB-CE1 3.51Å; A105-F526 HydrophobicContact CB-CZ 3.59Å; I134-F526 HydrophobicContact CD1-CB 3.96Å; I134-F526 HydrophobicContact CD1-CD1 4.29Å; I134-F526 HydrophobicContact CD1-CG 4.2Å; I134-F526 HydrophobicContact CG1-CB 4.3Å; I134-F526 HydrophobicContact CG1-CD1 3.71Å; I134-F526 HydrophobicContact CG1-CE1 4.35Å; I134-F526 HydrophobicContact CG1-CG 4.12Å; P188-F526 HydrophobicContact CG-CE2 4.18Å; P188-F526 HydrophobicContact CG-CZ 4.11Å; L512-F526 HydrophobicContact CB-CD2 3.55Å; L512-F526 HydrophobicContact CB-CE2 3.81Å; L512-F526 HydrophobicContact CB-CG 4.37Å; N513-F526 PolarHBondContact ND2-O 2.68Å; N513-F526 WeakPolarHBondContact OD1-CB 3.25Å; N513-F526 VanDerWaalsContact OD1-CD2 3.26Å; N513-F526 WeakPolarHBondContact OD1-CD2 3.46Å; N513-F526 PolarHBondContact OD1-N 3.2Å; V516-F526 HydrophobicContact CG2-CE2 3.67Å; V516-F526 HydrophobicContact CG2-CZ 4.3Å; F526-R528 PolarHBondContact O-N 2.85Å; F526-R528 VanDerWaalsContact O-N 3.14Å
527G86.3Confident68.7Low32 Ų32111.6 Ų111.633%0.3356%0.558SS.*THydrogen-bonded Turntrans71.41175.800000116D132 I529D132-G527 PolarHBondContact O-N 2.77Å; D132-G527 WeakPolarHBondContact OD1-CA 3.5Å; G527-I529 PolarHBondContact O-N 2.92Å
528R69.9Low66.1Low163 Ų163114 Ų11462%0.61557%0.574SS**  trans-81.897.4173-63-174.4-173.4-166.81.4109.2G524 F526 N530G524-R528 VanDerWaalsContact O-CZ 3.26Å; G524-R528 PolarHBondContact O-NE 3.2Å; G524-R528 PolarHBondContact O-NH2 2.73Å; F526-R528 PolarHBondContact O-N 2.85Å; F526-R528 VanDerWaalsContact O-N 3.14Å; R528-N530 PolarHBondContact O-N 3.42Å
529I53Low63.5Low137 Ų137119.3 Ų119.370%0.70360%0.601SS**  trans-61.6121.2163.9-60.7173.9000106.2G527 T531G527-I529 PolarHBondContact O-N 2.92Å; I529-T531 PolarHBondContact O-N 3.2Å; I529-T531 PolarHBondContact O-OG1 2.6Å
530N38.7Very low60.7Low141 Ų141124.1 Ų124.175%0.75462%0.624SS**  trans-52.384.9172.4-84.5-32.8000110.8R528R528-N530 PolarHBondContact O-N 3.42Å
531T33.4Very low58.5Low121 Ų121132.9 Ų132.974%0.74266%0.664SS**  trans-83.6-1.9171.438.60000111.8I529I529-T531 PolarHBondContact O-N 3.2Å; I529-T531 PolarHBondContact O-OG1 2.6Å
532T32.7Very low56.7Low118 Ų118131.3 Ų131.372%0.72466%0.659SS**SBendtrans-105.314.3-170.627.80000116.6
533R34.4Very low54.8Low230 Ų230133.6 Ų133.687%0.86867%0.672SS**SBendtrans-128.210.3177.3-87.6-171.7178.6178.50.7117.8
534K34.8Very low52.7Low191 Ų191135.6 Ų135.683%0.8367%0.674SS**SBendtrans-122.5-0.7177.8-81.8-169174.1-1740117.5
535N34.4Very low50.3Low146 Ų146143.4 Ų143.478%0.78171%0.712SS**SBendtrans-11616.9-176.7-77.4-7.1000115.8
536V38.5Very low47.5Very low136 Ų136149.8 Ų149.882%0.82474%0.741SS**SBendtrans-112.57.3-178.4-174.50000113.4
537Q38.6Very low44.4Very low196 Ų196159.7 Ų159.792%0.91679%0.79SS**SBendtrans-119.715.5-178.4-92.6-177-15.500115.7
538L42.2Very low41.4Very low159 Ų159168.9 Ų168.983%0.83282%0.822SS**SBendtrans-124.815-175.9-89158000115.7
539I43.8Very low39.2Very low163 Ų163169.3 Ų169.384%0.83684%0.838SS**SBendtrans-137.465.2175.8-46.4176.2000109.8
540K36.3Very low38Very low192 Ų192172 Ų17284%0.83585%0.85SS**  trans-159.279.6160.9-78.4-161.9-179.8179.50107.5
541H48.3Very low37.9Very low271 Ų271174.8 Ų174.8100%1.25586%0.858SS**  trans-165.20153.6-96.4-56.4000109.1

Retrieved 541 of 541 residues in 802.3 ms (Link to these results)

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