A0A077ZGR1_TRITR Loading...

Lateral signaling target protein 2

AlphaFold DB , UniProt , Accession A0A077ZGR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.9Very low59.8Low206 Ų206127.6 Ų127.6100%1.01561%0.611SS**  0-35.60-70.4-167.2-155.300114.1N3 F4 R5M1-N3 PolarHBondContact O-N 3.4Å; M1-F4 PolarHBondContact O-N 3.13Å; M1-R5 PolarHBondContact O-N 3.44Å
2L43.7Very low61.3Low137 Ų137128.5 Ų128.572%0.71761%0.614SS**Hα-helixtrans-60.1-41.9-179.1-89.985.9000114.3F4 R5 K6L2-F4 VanDerWaalsContact C-N 3.33Å; L2-F4 PolarHBondContact O-N 2.81Å; L2-R5 PolarHBondContact O-N 3.2Å; L2-K6 PolarHBondContact O-N 3.13Å; L2-K6 VanDerWaalsContact O-N 3.16Å
3N56.4Low62.1Low131 Ų131128.1 Ų128.170%0.70162%0.624SS**Hα-helixtrans-66.3-32.4-179.7-75.6-0.5000113.4M1 K6 L7M1-N3 PolarHBondContact O-N 3.4Å; N3-K6 PolarHBondContact O-N 3.25Å; N3-L7 PolarHBondContact O-N 3.47Å; N3-L7 VanDerWaalsContact O-N 3.16Å
4F54.6Low63.2Low155 Ų155126.6 Ų126.668%0.6862%0.621SS**Hα-helixtrans-69-38.9176.7-81.6-81.6000112.2M1 L2 L7 L8M1-F4 PolarHBondContact O-N 3.13Å; L2-F4 VanDerWaalsContact C-N 3.33Å; L2-F4 PolarHBondContact O-N 2.81Å; F4-L7 PolarHBondContact O-N 2.95Å; F4-L8 WeakPolarHBondContact O-CG 3.37Å; F4-L8 PolarHBondContact O-N 3.25Å; F4-L8 VanDerWaalsContact O-N 3.07Å
5R52.5Low64.2Low196 Ų196121.3 Ų121.374%0.7460%0.596SS**Hα-helixtrans-65.1-41.3173.8-89.9-173172.5173.3-2.3112.2M1 L2 L7 L8 C9M1-R5 PolarHBondContact O-N 3.44Å; L2-R5 PolarHBondContact O-N 3.2Å; R5-L7 VanDerWaalsContact C-N 3.26Å; R5-L7 PolarHBondContact O-N 3.22Å; R5-L8 PolarHBondContact O-N 2.99Å; R5-C9 WeakPolarHBondContact O-CB 3.47Å; R5-C9 PolarHBondContact O-N 2.9Å; R5-C9 PolarHBondContact O-SG 3.48Å; R5-C9 VanDerWaalsContact O-SG 3.4Å
6K56.7Low65.3Low120 Ų120126.3 Ų126.352%0.52261%0.606SS.*Hα-helixtrans-60.5-36176.2-71.2-175.9177.5-173.80112.4L2 N3L2-K6 PolarHBondContact O-N 3.13Å; L2-K6 VanDerWaalsContact O-N 3.16Å; N3-K6 PolarHBondContact O-N 3.25Å
7L61.1Low66.5Low128 Ų128120.4 Ų120.467%0.6758%0.581SS**Hα-helixtrans-73.9-38177.7-162.972.4000112.5N3 F4 R5N3-L7 PolarHBondContact O-N 3.47Å; N3-L7 VanDerWaalsContact O-N 3.16Å; F4-L7 PolarHBondContact O-N 2.95Å; R5-L7 VanDerWaalsContact C-N 3.26Å; R5-L7 PolarHBondContact O-N 3.22Å
8L62.1Low67.9Low145 Ų145115 Ų11576%0.75956%0.557SS**Hα-helixtrans-73.5-27.5-179.9-74.9165.8000113.7F4 R5F4-L8 WeakPolarHBondContact O-CG 3.37Å; F4-L8 PolarHBondContact O-N 3.25Å; F4-L8 VanDerWaalsContact O-N 3.07Å; R5-L8 PolarHBondContact O-N 2.99Å
9C69.1Low69.1Low61 Ų61108.9 Ų108.941%0.41253%0.528SS..THydrogen-bonded Turntrans-10214.8-178.1-56.30000113.4R5 L148R5-C9 WeakPolarHBondContact O-CB 3.47Å; R5-C9 PolarHBondContact O-N 2.9Å; R5-C9 PolarHBondContact O-SG 3.48Å; R5-C9 VanDerWaalsContact O-SG 3.4Å; C9-L148 WeakPolarHBondContact CB-O 3.38Å; C9-L148 WeakPolarHBondContact O-CD2 3.49Å
10R79Confident70.1Confident113 Ų113103.5 Ų103.543%0.42650%0.502SS..PPolyproline II helixtrans-63.4130.7174.7-169.2179.9-172.6173.86.6109F23 E27R10-F23 HydrophobicContact CG-CE1 3.77Å; R10-F23 HydrophobicContact CG-CZ 4.09Å; R10-E27 IonicContact CZ-OE2 2.73Å; R10-E27 IonicContact NH2-OE1 3.44Å; R10-E27 PolarHBondContact NH2-OE1 3.09Å; R10-E27 IonicContact NH2-OE2 3.78Å; R10-E27 PolarHBondContact NH2-OE2 3.28Å
11P77.5Confident71.2Confident12 Ų12101 Ų1018%0.07849%0.488CS..PPolyproline II helixtrans-54.5149.7173-25.634.2000111.7A20 F23 F24P11-A20 HydrophobicContact CB-CB 3.8Å; P11-A20 HydrophobicContact CG-CB 4.47Å; P11-F23 HydrophobicContact CG-CB 4.02Å; P11-F23 HydrophobicContact CG-CD1 4.34Å; P11-F23 HydrophobicContact CG-CG 4.03Å; P11-F24 HydrophobicContact CB-CE2 4.34Å; P11-F24 WeakPolarHBondContact O-CZ 3.48Å
12Q77.6Confident73.6Confident138 Ų13891.2 Ų91.265%0.64544%0.44SS*.PPolyproline II helixtrans-71.6147173.5-52.6-169.6-84.600109.5D14 D15Q12-D14 WeakPolarHBondContact CB-OD1 3.39Å; Q12-D14 PolarHBondContact O-N 3.25Å; Q12-D15 HydrophobicContact CB-CB 4.5Å; Q12-D15 WeakPolarHBondContact O-CB 3.49Å; Q12-D15 PolarHBondContact O-N 3.49Å; Q12-D15 VanDerWaalsContact O-N 3.09Å
13V72.6Confident76Confident123 Ų12385.5 Ų85.575%0.74541%0.409SS*.THydrogen-bonded Turntrans-68-22.3-175.9-178.40000111.9F24V13-F24 HydrophobicContact CB-CZ 4.38Å; V13-F24 HydrophobicContact CG2-CE1 4.18Å; V13-F24 HydrophobicContact CG2-CZ 3.84Å
14D77.5Confident77.7Confident108 Ų10881.8 Ų81.858%0.57839%0.387SS*.THydrogen-bonded Turntrans-922.5175.757.8-41000113.9Q12 W16Q12-D14 WeakPolarHBondContact CB-OD1 3.39Å; Q12-D14 PolarHBondContact O-N 3.25Å; D14-W16 PolarHBondContact O-N 2.71Å; D14-W16 PolarHBondContact O-NE1 3.43Å
15D78.3Confident79.6Confident47 Ų4775 Ų7525%0.25136%0.36SS..  trans-77.5109.8171.1-174.7-13.8000109.7Q12 S17 A20 P151Q12-D15 HydrophobicContact CB-CB 4.5Å; Q12-D15 WeakPolarHBondContact O-CB 3.49Å; Q12-D15 PolarHBondContact O-N 3.49Å; Q12-D15 VanDerWaalsContact O-N 3.09Å; D15-S17 VanDerWaalsContact C-N 3.32Å; D15-S17 VanDerWaalsContact CG-OG 3.31Å; D15-S17 WeakPolarHBondContact OD1-CB 3.18Å; D15-S17 PolarHBondContact OD1-N 3.2Å; D15-S17 PolarHBondContact OD1-OG 3.34Å; D15-S17 PolarHBondContact OD2-OG 3.45Å; D15-A20 HydrophobicContact CB-CB 3.64Å; D15-A20 VanDerWaalsContact CG-CB 3.41Å; D15-A20 WeakPolarHBondContact O-CB 3.46Å; D15-P151 WeakPolarHBondContact OD2-CG 3.42Å
16W80.7Confident81.6Confident201 Ų20165.8 Ų65.876%0.76133%0.325SS*.  trans-88.14.6-178.3-65.492.3000113.7D14 K21D14-W16 PolarHBondContact O-N 2.71Å; D14-W16 PolarHBondContact O-NE1 3.43Å; W16-K21 VanDerWaalsContact O-CE 3.25Å; W16-K21 WeakPolarHBondContact O-CE 3.39Å
17S86.9Confident83.4Confident25 Ų2563.4 Ų63.418%0.17532%0.316CS..SBendtrans-60.2145.117464.90000110.8D15 L19 A20 K21D15-S17 VanDerWaalsContact C-N 3.32Å; D15-S17 VanDerWaalsContact CG-OG 3.31Å; D15-S17 WeakPolarHBondContact OD1-CB 3.18Å; D15-S17 PolarHBondContact OD1-N 3.2Å; D15-S17 PolarHBondContact OD1-OG 3.34Å; D15-S17 PolarHBondContact OD2-OG 3.45Å; S17-L19 PolarHBondContact O-N 3.47Å; S17-A20 PolarHBondContact O-N 3.15Å; S17-A20 WeakPolarHBondContact OG-CB 3.4Å; S17-A20 PolarHBondContact OG-N 3.49Å; S17-K21 PolarHBondContact O-N 3.29Å
18P90.5Very high85Confident24 Ų2459.3 Ų59.316%0.15630%0.301CS..Hα-helixtrans-56.9-35.7-179.6-25.833.3000113.3K21 F22 I65 M69P18-K21 PolarHBondContact O-N 2.7Å; P18-F22 VanDerWaalsContact O-CB 3.27Å; P18-F22 WeakPolarHBondContact O-CB 3.46Å; P18-F22 PolarHBondContact O-N 3.12Å; P18-I65 HydrophobicContact CB-CG2 4.49Å; P18-I65 WeakPolarHBondContact O-CG2 3.46Å; P18-M69 HydrophobicContact CB-CE 3.92Å; P18-M69 HydrophobicContact CB-CG 3.5Å; P18-M69 VanDerWaalsContact CB-CG 3.5Å; P18-M69 WeakPolarHBondContact O-CE 3.37Å
19L92.4Very high86.5Confident0 Ų052.7 Ų52.70%027%0.266CS..Hα-helixtrans-66.1-38.2176.2-82.5167.2000113.1S17 F22 F23 M69 L143 Q146 S147 P151 Y154S17-L19 PolarHBondContact O-N 3.47Å; L19-F22 PolarHBondContact O-N 3.2Å; L19-F23 PolarHBondContact O-N 3.25Å; L19-F23 VanDerWaalsContact O-N 3.1Å; L19-M69 HydrophobicContact CB-CE 4.4Å; L19-M69 HydrophobicContact CD2-CE 3.87Å; L19-M69 HydrophobicContact CG-CE 4Å; L19-L143 HydrophobicContact CD2-CB 4.39Å; L19-L143 HydrophobicContact CD2-CD2 3.86Å; L19-Q146 HydrophobicContact CD1-CG 3.87Å; L19-Q146 HydrophobicContact CD2-CB 4.24Å; L19-Q146 HydrophobicContact CD2-CG 4.3Å; L19-S147 WeakPolarHBondContact O-CB 3.41Å; L19-P151 HydrophobicContact CB-CB 4.08Å; L19-P151 WeakPolarHBondContact CD1-O 3.5Å; L19-Y154 HydrophobicContact CD1-CD1 4.07Å; L19-Y154 HydrophobicContact CD1-CD2 4.35Å; L19-Y154 HydrophobicContact CD1-CE1 3.66Å; L19-Y154 HydrophobicContact CD1-CE2 3.96Å; L19-Y154 HydrophobicContact CD1-CG 4.41Å; L19-Y154 HydrophobicContact CD2-CE1 4.11Å; L19-Y154 HydrophobicContact CG-CD1 4.48Å; L19-Y154 HydrophobicContact CG-CE1 3.66Å; L19-Y154 HydrophobicContact CG-CE2 4.44Å
20A89.1Confident87.6Confident0 Ų052.7 Ų52.70%026%0.262CS..Hα-helixtrans-67.9-46174.500000111.3P11 D15 S17 F22 F23 F24P11-A20 HydrophobicContact CB-CB 3.8Å; P11-A20 HydrophobicContact CG-CB 4.47Å; D15-A20 HydrophobicContact CB-CB 3.64Å; D15-A20 VanDerWaalsContact CG-CB 3.41Å; D15-A20 WeakPolarHBondContact O-CB 3.46Å; S17-A20 PolarHBondContact O-N 3.15Å; S17-A20 WeakPolarHBondContact OG-CB 3.4Å; S17-A20 PolarHBondContact OG-N 3.49Å; A20-F22 VanDerWaalsContact C-N 3.28Å; A20-F22 PolarHBondContact O-N 3.32Å; A20-F23 WeakPolarHBondContact O-CB 3.47Å; A20-F23 PolarHBondContact O-N 3.02Å; A20-F24 WeakPolarHBondContact O-CD2 3.5Å; A20-F24 PolarHBondContact O-N 2.65Å
21K92.8Very high88.3Confident52 Ų5251.4 Ų51.423%0.22627%0.267CS..Hα-helixtrans-54.5-45.5172.3-69.2172.2173.1173.20111.4W16 S17 P18 F23 F24 A25 I65 E68W16-K21 VanDerWaalsContact O-CE 3.25Å; W16-K21 WeakPolarHBondContact O-CE 3.39Å; S17-K21 PolarHBondContact O-N 3.29Å; P18-K21 PolarHBondContact O-N 2.7Å; K21-F23 PolarHBondContact O-N 2.96Å; K21-F24 PolarHBondContact O-N 2.74Å; K21-A25 PolarHBondContact O-N 2.93Å; K21-I65 HydrophobicContact CB-CD1 3.97Å; K21-I65 HydrophobicContact CB-CG1 4.3Å; K21-I65 HydrophobicContact CB-CG2 4.29Å; K21-E68 IonicContact NZ-OE2 3.72Å; K21-E68 PolarHBondContact NZ-OE2 2.88Å
22F94.9Very high89Confident0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-59.5-44.2179.4179.8-85.9000111.8P18 L19 A20 F24 A25 D26 V62 I65 I66 M69 R140 L143 K144P18-F22 VanDerWaalsContact O-CB 3.27Å; P18-F22 WeakPolarHBondContact O-CB 3.46Å; P18-F22 PolarHBondContact O-N 3.12Å; L19-F22 PolarHBondContact O-N 3.2Å; A20-F22 VanDerWaalsContact C-N 3.28Å; A20-F22 PolarHBondContact O-N 3.32Å; F22-F24 VanDerWaalsContact C-N 3.33Å; F22-F24 PolarHBondContact O-N 3.19Å; F22-A25 PolarHBondContact O-N 2.95Å; F22-D26 HydrophobicContact CD1-CB 4.43Å; F22-D26 HydrophobicContact CE1-CB 3.91Å; F22-D26 HydrophobicContact CZ-CB 4.18Å; F22-D26 WeakPolarHBondContact O-CB 3.29Å; F22-D26 PolarHBondContact O-N 2.79Å; F22-V62 HydrophobicContact CE2-CG1 3.84Å; F22-I65 HydrophobicContact CB-CG2 3.83Å; F22-I65 HydrophobicContact CD2-CG2 4.41Å; F22-I66 HydrophobicContact CD2-CG1 4.37Å; F22-I66 HydrophobicContact CE2-CD1 4.27Å; F22-I66 HydrophobicContact CE2-CG1 4.17Å; F22-M69 HydrophobicContact CB-CE 3.56Å; F22-M69 HydrophobicContact CD2-CE 4.31Å; F22-M69 HydrophobicContact CG-CE 4.08Å; F22-R140 HydrophobicContact CZ-CB 4.07Å; F22-R140 HydrophobicContact CZ-CG 3.98Å; F22-L143 HydrophobicContact CD1-CB 3.6Å; F22-L143 HydrophobicContact CD2-CB 4.37Å; F22-L143 HydrophobicContact CD2-CD1 3.82Å; F22-L143 HydrophobicContact CE1-CB 3.39Å; F22-L143 HydrophobicContact CE1-CD1 4.33Å; F22-L143 HydrophobicContact CE2-CB 4.16Å; F22-L143 HydrophobicContact CE2-CD1 3.52Å; F22-L143 HydrophobicContact CG-CB 4.13Å; F22-L143 HydrophobicContact CG-CD1 4.34Å; F22-L143 HydrophobicContact CZ-CB 3.72Å; F22-L143 HydrophobicContact CZ-CD1 3.84Å; F22-L143 HydrophobicContact CZ-CG 4.43Å; F22-K144 HydrophobicContact CE1-CB 4.35Å
23F93.4Very high89.6Confident16 Ų1645.8 Ų45.87%0.0725%0.245CC..Hα-helixtrans-54.4-48.6179178.4-88.9000112R10 P11 L19 A20 K21 E27 K144 L148R10-F23 HydrophobicContact CG-CE1 3.77Å; R10-F23 HydrophobicContact CG-CZ 4.09Å; P11-F23 HydrophobicContact CG-CB 4.02Å; P11-F23 HydrophobicContact CG-CD1 4.34Å; P11-F23 HydrophobicContact CG-CG 4.03Å; L19-F23 PolarHBondContact O-N 3.25Å; L19-F23 VanDerWaalsContact O-N 3.1Å; A20-F23 WeakPolarHBondContact O-CB 3.47Å; A20-F23 PolarHBondContact O-N 3.02Å; K21-F23 PolarHBondContact O-N 2.96Å; F23-E27 WeakPolarHBondContact O-CB 3.38Å; F23-E27 PolarHBondContact O-N 3.18Å; F23-K144 HydrophobicContact CD2-CG 4.4Å; F23-L148 HydrophobicContact CD2-CD2 4.12Å; F23-L148 HydrophobicContact CD2-CG 4.18Å; F23-L148 HydrophobicContact CE2-CD1 4.24Å; F23-L148 HydrophobicContact CE2-CD2 3.55Å; F23-L148 HydrophobicContact CE2-CG 3.87Å; F23-L148 HydrophobicContact CZ-CD2 4.21Å
24F92.7Very high90.4Very high54 Ų5442.7 Ų42.724%0.23723%0.231CC..Hα-helixtrans-71-35.7-179.6-65.7-68.6000112.5P11 V13 A20 K21 F22 E27 A28P11-F24 HydrophobicContact CB-CE2 4.34Å; P11-F24 WeakPolarHBondContact O-CZ 3.48Å; V13-F24 HydrophobicContact CB-CZ 4.38Å; V13-F24 HydrophobicContact CG2-CE1 4.18Å; V13-F24 HydrophobicContact CG2-CZ 3.84Å; A20-F24 WeakPolarHBondContact O-CD2 3.5Å; A20-F24 PolarHBondContact O-N 2.65Å; K21-F24 PolarHBondContact O-N 2.74Å; F22-F24 VanDerWaalsContact C-N 3.33Å; F22-F24 PolarHBondContact O-N 3.19Å; F24-E27 PolarHBondContact O-N 3.33Å; F24-A28 WeakPolarHBondContact O-CB 3.47Å; F24-A28 PolarHBondContact O-N 3.49Å
25A94.6Very high91Very high12 Ų1240.4 Ų40.410%0.09922%0.218CC..Hα-helixtrans-65.6-44.5175.200000112K21 F22 A28 L29 R61 V62 I65K21-A25 PolarHBondContact O-N 2.93Å; F22-A25 PolarHBondContact O-N 2.95Å; A25-A28 PolarHBondContact O-N 3.36Å; A25-L29 WeakPolarHBondContact O-CB 3.49Å; A25-L29 PolarHBondContact O-N 3.15Å; A25-R61 HydrophobicContact CB-CG 4.2Å; A25-V62 HydrophobicContact CB-CG2 3.92Å; A25-I65 HydrophobicContact CB-CD1 3.51Å
26D95.2Very high91.3Very high2 Ų240 Ų401%0.01122%0.215CC..Hα-helixtrans-66.2-37.2176-178.169.6000112.2F22 L29 N30 R140 K144F22-D26 HydrophobicContact CD1-CB 4.43Å; F22-D26 HydrophobicContact CE1-CB 3.91Å; F22-D26 HydrophobicContact CZ-CB 4.18Å; F22-D26 WeakPolarHBondContact O-CB 3.29Å; F22-D26 PolarHBondContact O-N 2.79Å; D26-L29 PolarHBondContact O-N 3.23Å; D26-N30 VanDerWaalsContact CG-ND2 3.35Å; D26-N30 WeakPolarHBondContact O-CB 3.29Å; D26-N30 VanDerWaalsContact O-CG 3.3Å; D26-N30 PolarHBondContact O-N 3.48Å; D26-N30 PolarHBondContact O-ND2 3.15Å; D26-N30 PolarHBondContact OD1-ND2 3.45Å; D26-N30 PolarHBondContact OD2-ND2 2.96Å; D26-R140 IonicContact OD1-CZ 3.65Å; D26-R140 IonicContact OD1-NE 3.66Å; D26-R140 PolarHBondContact OD1-NE 3.06Å; D26-R140 IonicContact OD1-NH2 2.57Å; D26-R140 PolarHBondContact OD1-NH2 2.69Å; D26-K144 WeakPolarHBondContact OD2-CD 3.34Å; D26-K144 WeakPolarHBondContact OD2-CE 3.48Å; D26-K144 IonicContact OD2-NZ 3.48Å; D26-K144 PolarHBondContact OD2-NZ 3.14Å
27E93Very high91.5Very high70 Ų7037.1 Ų37.133%0.32722%0.215SC..Hα-helixtrans-62.6-43.3173.5-174.7174.2-140.200111.6R10 F23 F24 T31R10-E27 IonicContact CZ-OE2 2.73Å; R10-E27 IonicContact NH2-OE1 3.44Å; R10-E27 PolarHBondContact NH2-OE1 3.09Å; R10-E27 IonicContact NH2-OE2 3.78Å; R10-E27 PolarHBondContact NH2-OE2 3.28Å; F23-E27 WeakPolarHBondContact O-CB 3.38Å; F23-E27 PolarHBondContact O-N 3.18Å; F24-E27 PolarHBondContact O-N 3.33Å; E27-T31 WeakPolarHBondContact O-CB 3.46Å; E27-T31 PolarHBondContact O-N 2.87Å; E27-T31 PolarHBondContact O-OG1 3.43Å
28A94.6Very high91.2Very high43 Ų4340.1 Ų40.136%0.35524%0.241SC..Hα-helixtrans-63.8-45.9175.700000111.9F24 A25 N30 T31 V32F24-A28 WeakPolarHBondContact O-CB 3.47Å; F24-A28 PolarHBondContact O-N 3.49Å; A25-A28 PolarHBondContact O-N 3.36Å; A28-N30 PolarHBondContact O-N 2.51Å; A28-T31 WeakPolarHBondContact O-CB 3.21Å; A28-T31 PolarHBondContact O-N 2.91Å; A28-V32 WeakPolarHBondContact O-CG2 3.47Å; A28-V32 PolarHBondContact O-N 3.36Å; A28-V32 VanDerWaalsContact O-N 3.07Å
29L94.2Very high90.3Very high6 Ų640.4 Ų40.43%0.03124%0.24CC..Hα-helixtrans-58-50177.3178.259.3000111.6A25 D26 T31 V32 A33 L55 C58 Q59 V62 W103A25-L29 WeakPolarHBondContact O-CB 3.49Å; A25-L29 PolarHBondContact O-N 3.15Å; D26-L29 PolarHBondContact O-N 3.23Å; L29-T31 VanDerWaalsContact C-N 3.28Å; L29-T31 PolarHBondContact O-N 3.13Å; L29-V32 PolarHBondContact O-N 3.34Å; L29-A33 WeakPolarHBondContact O-CB 3.19Å; L29-A33 PolarHBondContact O-N 2.68Å; L29-L55 HydrophobicContact CD1-CD1 3.67Å; L29-L55 HydrophobicContact CD1-CG 4.36Å; L29-C58 HydrophobicContact CB-CB 3.94Å; L29-C58 HydrophobicContact CD1-CB 3.65Å; L29-C58 HydrophobicContact CG-CB 4.39Å; L29-Q59 HydrophobicContact CD1-CG 3.84Å; L29-Q59 HydrophobicContact CD2-CG 4.47Å; L29-V62 HydrophobicContact CD2-CG2 4.07Å; L29-W103 HydrophobicContact CD2-CH2 3.56Å; L29-W103 HydrophobicContact CD2-CZ2 4.22Å; L29-W103 HydrophobicContact CD2-CZ3 4.33Å
30N93.3Very high89.3Confident61 Ų6143.9 Ų43.933%0.32626%0.258SS..Hα-helixtrans-64-32.9178.8-71.4-47.9000112.6D26 A28 A34 R140 K144D26-N30 VanDerWaalsContact CG-ND2 3.35Å; D26-N30 WeakPolarHBondContact O-CB 3.29Å; D26-N30 VanDerWaalsContact O-CG 3.3Å; D26-N30 PolarHBondContact O-N 3.48Å; D26-N30 PolarHBondContact O-ND2 3.15Å; D26-N30 PolarHBondContact OD1-ND2 3.45Å; D26-N30 PolarHBondContact OD2-ND2 2.96Å; A28-N30 PolarHBondContact O-N 2.51Å; N30-A34 WeakPolarHBondContact O-CB 3.4Å; N30-A34 PolarHBondContact O-N 3.34Å; N30-R140 PolarHBondContact OD1-NH2 3Å; N30-R140 VanDerWaalsContact OD1-NH2 3.09Å; N30-K144 PolarHBondContact ND2-NZ 3.47Å
31T93.2Very high88.2Confident86 Ų8648 Ų4853%0.52828%0.281SS..Hα-helixtrans-65-43.8175.5-590000111.1E27 A28 L29 E35E27-T31 WeakPolarHBondContact O-CB 3.46Å; E27-T31 PolarHBondContact O-N 2.87Å; E27-T31 PolarHBondContact O-OG1 3.43Å; A28-T31 WeakPolarHBondContact O-CB 3.21Å; A28-T31 PolarHBondContact O-N 2.91Å; L29-T31 VanDerWaalsContact C-N 3.28Å; L29-T31 PolarHBondContact O-N 3.13Å; T31-E35 PolarHBondContact O-N 3.19Å; T31-E35 VanDerWaalsContact O-N 3.08Å
32V92.2Very high86.8Confident3 Ų356.8 Ų56.82%0.01831%0.312CS..Hα-helixtrans-69.4-41.2178.6178.90000111.4A28 L29 E35 L36 K54 L55A28-V32 WeakPolarHBondContact O-CG2 3.47Å; A28-V32 PolarHBondContact O-N 3.36Å; A28-V32 VanDerWaalsContact O-N 3.07Å; L29-V32 PolarHBondContact O-N 3.34Å; V32-E35 PolarHBondContact O-N 3.07Å; V32-L36 PolarHBondContact O-N 3.3Å; V32-K54 HydrophobicContact CG1-CB 4.13Å; V32-K54 HydrophobicContact CG1-CD 4.26Å; V32-K54 HydrophobicContact CG1-CG 4.18Å; V32-K54 HydrophobicContact CG2-CD 3.65Å; V32-K54 HydrophobicContact CG2-CG 3.84Å; V32-L55 HydrophobicContact CB-CD1 4.45Å; V32-L55 HydrophobicContact CG1-CB 3.98Å; V32-L55 HydrophobicContact CG1-CD1 4.17Å
33A90.3Very high85.7Confident29 Ų2965.5 Ų65.524%0.2435%0.345CS..Hα-helixtrans-59.5-47.2175.100000111.7L29 E35 L36 D37 L55L29-A33 WeakPolarHBondContact O-CB 3.19Å; L29-A33 PolarHBondContact O-N 2.68Å; A33-E35 VanDerWaalsContact C-N 3.3Å; A33-E35 PolarHBondContact O-N 3.01Å; A33-L36 WeakPolarHBondContact O-CB 3.46Å; A33-L36 PolarHBondContact O-N 3.2Å; A33-L36 VanDerWaalsContact O-N 3.11Å; A33-D37 PolarHBondContact O-N 3.26Å; A33-L55 HydrophobicContact CB-CD1 4.02Å
34A89.7Confident85Confident57 Ų5769.8 Ų69.847%0.47137%0.365SS..Hα-helixtrans-63.6-3417700000113N30 A38N30-A34 WeakPolarHBondContact O-CB 3.4Å; N30-A34 PolarHBondContact O-N 3.34Å; A34-A38 WeakPolarHBondContact O-CB 3.43Å; A34-A38 PolarHBondContact O-N 2.79Å; A34-A38 VanDerWaalsContact O-N 3.1Å
35E89.6Confident84.4Confident61 Ų6171.1 Ų71.129%0.28538%0.379SS..Hα-helixtrans-66.9-39173.6-170.1177.8172.700111.6T31 V32 A33 F39 R47 L51T31-E35 PolarHBondContact O-N 3.19Å; T31-E35 VanDerWaalsContact O-N 3.08Å; V32-E35 PolarHBondContact O-N 3.07Å; A33-E35 VanDerWaalsContact C-N 3.3Å; A33-E35 PolarHBondContact O-N 3.01Å; E35-F39 WeakPolarHBondContact O-CB 3.44Å; E35-F39 PolarHBondContact O-N 3.25Å; E35-R47 IonicContact OE1-CZ 3.59Å; E35-R47 IonicContact OE1-NE 3.98Å; E35-R47 IonicContact OE1-NH2 3.48Å; E35-R47 PolarHBondContact OE1-NH2 3.3Å; E35-L51 HydrophobicContact CB-CD2 4.32Å; E35-L51 HydrophobicContact CG-CD1 4Å; E35-L51 HydrophobicContact CG-CD2 3.91Å
36L85.3Confident84Confident38 Ų3877.5 Ų77.520%0.19941%0.407CS..Hα-helixtrans-68.3-41.4176.9-166.171.4000111.7V32 A33 A38 F39 L51 V52 L55V32-L36 PolarHBondContact O-N 3.3Å; A33-L36 WeakPolarHBondContact O-CB 3.46Å; A33-L36 PolarHBondContact O-N 3.2Å; A33-L36 VanDerWaalsContact O-N 3.11Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.84Å; L36-F39 WeakPolarHBondContact O-CB 3.28Å; L36-F39 PolarHBondContact O-N 3.21Å; L36-F39 VanDerWaalsContact O-N 3.12Å; L36-L51 HydrophobicContact CD1-CB 3.65Å; L36-L51 HydrophobicContact CD1-CD1 4.27Å; L36-V52 HydrophobicContact CD1-CG2 4.12Å; L36-V52 HydrophobicContact CD2-CG2 4.28Å; L36-L55 HydrophobicContact CD2-CD2 4.17Å
37D83.1Confident83.6Confident141 Ų14183 Ų8375%0.75443%0.427SS*.Hα-helixtrans-66-33.6176.5-73.4-22.6000112.8A33 F39A33-D37 PolarHBondContact O-N 3.26Å; D37-F39 PolarHBondContact O-N 2.62Å
38A81.8Confident83.2Confident88 Ų8880.7 Ų80.773%0.72742%0.419SS*.THydrogen-bonded Turntrans-77.5-4.8175.900000113.1A34 L36A34-A38 WeakPolarHBondContact O-CB 3.43Å; A34-A38 PolarHBondContact O-N 2.79Å; A34-A38 VanDerWaalsContact O-N 3.1Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.84Å
39F72Confident82.8Confident30 Ų3085.4 Ų85.413%0.13243%0.434CS..  trans-89.8126.3-170-155.9-107000113E35 L36 D37 N41 H44 R47 C48 L51E35-F39 WeakPolarHBondContact O-CB 3.44Å; E35-F39 PolarHBondContact O-N 3.25Å; L36-F39 WeakPolarHBondContact O-CB 3.28Å; L36-F39 PolarHBondContact O-N 3.21Å; L36-F39 VanDerWaalsContact O-N 3.12Å; D37-F39 PolarHBondContact O-N 2.62Å; F39-N41 WeakPolarHBondContact CD1-OD1 3Å; F39-N41 PolarHBondContact O-N 3.49Å; F39-N41 VanDerWaalsContact O-N 3.1Å; F39-H44 HydrophobicContact CE1-CB 3.87Å; F39-H44 VanDerWaalsContact CE1-O 3.31Å; F39-H44 WeakPolarHBondContact CE1-O 3.39Å; F39-H44 HydrophobicContact CE2-CB 4.44Å; F39-H44 HydrophobicContact CZ-CB 3.4Å; F39-R47 HydrophobicContact CE1-CB 4.45Å; F39-R47 HydrophobicContact CE1-CG 4.48Å; F39-R47 HydrophobicContact CE2-CB 4.32Å; F39-R47 VanDerWaalsContact CE2-CD 3.45Å; F39-R47 HydrophobicContact CE2-CG 3.69Å; F39-R47 HydrophobicContact CZ-CB 3.67Å; F39-R47 HydrophobicContact CZ-CG 3.54Å; F39-C48 HydrophobicContact CD1-CB 4.18Å; F39-C48 HydrophobicContact CE1-CB 3.96Å; F39-L51 HydrophobicContact CD2-CD1 4.11Å; F39-L51 HydrophobicContact CE2-CD1 4.48Å; F39-L51 HydrophobicContact CG-CD1 4.26Å
40D70.6Confident82.6Confident73 Ų7390.9 Ų90.939%0.3946%0.459SS..  trans-79.890.4166.5-174.5-2.1000109.2R42 R43D40-R42 PolarHBondContact O-N 3.37Å; D40-R42 PolarHBondContact OD1-N 2.91Å; D40-R43 HydrophobicContact CB-CG 4.31Å; D40-R43 PolarHBondContact O-N 2.91Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 WeakPolarHBondContact OD2-CG 3.23Å; D40-R43 IonicContact OD2-CZ 3.21Å; D40-R43 IonicContact OD2-NE 2.78Å; D40-R43 PolarHBondContact OD2-NE 2.95Å; D40-R43 IonicContact OD2-NH2 2.72Å
41N65.2Low82.3Confident87 Ų8788.4 Ų88.447%0.46545%0.446SS..THydrogen-bonded Turntrans-48.9-27.2-178.4-69.7-21.6000113.6F39 R43 C48F39-N41 WeakPolarHBondContact CD1-OD1 3Å; F39-N41 PolarHBondContact O-N 3.49Å; F39-N41 VanDerWaalsContact O-N 3.1Å; N41-R43 VanDerWaalsContact C-N 3.32Å; N41-R43 PolarHBondContact O-N 3.43Å; N41-C48 PolarHBondContact OD1-SG 3.41Å
42R64.8Low82Confident236 Ų23686.2 Ų86.289%0.89143%0.432SS*.THydrogen-bonded Turntrans-71.8-24.4-177.4-63.1-176.2177.5-169.3-0.5113.6D40D40-R42 PolarHBondContact O-N 3.37Å; D40-R42 PolarHBondContact OD1-N 2.91Å
43R70.4Confident81.9Confident182 Ų18288.8 Ų88.869%0.68745%0.454SS*.THydrogen-bonded Turntrans-87.1-26.2-173.4-63.1-175.1-168.8-155.3-2.5113.4D40 N41D40-R43 HydrophobicContact CB-CG 4.31Å; D40-R43 PolarHBondContact O-N 2.91Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 WeakPolarHBondContact OD2-CG 3.23Å; D40-R43 IonicContact OD2-CZ 3.21Å; D40-R43 IonicContact OD2-NE 2.78Å; D40-R43 PolarHBondContact OD2-NE 2.95Å; D40-R43 IonicContact OD2-NH2 2.72Å; N41-R43 VanDerWaalsContact C-N 3.32Å; N41-R43 PolarHBondContact O-N 3.43Å
44H78.7Confident81.9Confident106 Ų10692.4 Ų92.449%0.49146%0.464SS..  trans-152.469-165.9-64.7-60.5000112F39 E46 R47 C48F39-H44 HydrophobicContact CE1-CB 3.87Å; F39-H44 VanDerWaalsContact CE1-O 3.31Å; F39-H44 WeakPolarHBondContact CE1-O 3.39Å; F39-H44 HydrophobicContact CE2-CB 4.44Å; F39-H44 HydrophobicContact CZ-CB 3.4Å; H44-E46 VanDerWaalsContact C-N 3.31Å; H44-E46 PolarHBondContact O-N 3.43Å; H44-R47 HydrophobicContact CB-CB 4.28Å; H44-R47 PolarHBondContact O-N 3.15Å; H44-R47 VanDerWaalsContact O-N 3.16Å; H44-C48 PolarHBondContact O-N 3.47Å; H44-C48 VanDerWaalsContact O-N 3.14Å
45P81.3Confident82Confident83 Ų8391 Ų9154%0.53945%0.448SS..Hα-helixtrans-58.3-38.7-174.622.9-33.9000113.4R47 C48 Q49P45-R47 VanDerWaalsContact C-N 3.34Å; P45-R47 PolarHBondContact O-N 2.94Å; P45-C48 WeakPolarHBondContact O-CB 3.48Å; P45-C48 PolarHBondContact O-N 3Å; P45-Q49 PolarHBondContact O-N 3.37Å
46E85.3Confident82Confident145 Ų14592.2 Ų92.268%0.67845%0.451SS*.Hα-helixtrans-61.7-40.4178.3-64.8-177.5176.900112.7H44 Q49 Q50H44-E46 VanDerWaalsContact C-N 3.31Å; H44-E46 PolarHBondContact O-N 3.43Å; E46-Q49 PolarHBondContact O-N 3.45Å; E46-Q50 VanDerWaalsContact O-CG 3.31Å; E46-Q50 WeakPolarHBondContact O-CG 3.5Å; E46-Q50 PolarHBondContact O-N 2.88Å
47R86.4Confident82.3Confident117 Ų11794.1 Ų94.144%0.44247%0.467SS..Hα-helixtrans-72.2-32.9177.5173.6171.1177.4-170.24.4111.5E35 F39 H44 P45 Q50 L51E35-R47 IonicContact OE1-CZ 3.59Å; E35-R47 IonicContact OE1-NE 3.98Å; E35-R47 IonicContact OE1-NH2 3.48Å; E35-R47 PolarHBondContact OE1-NH2 3.3Å; F39-R47 HydrophobicContact CE1-CB 4.45Å; F39-R47 HydrophobicContact CE1-CG 4.48Å; F39-R47 HydrophobicContact CE2-CB 4.32Å; F39-R47 VanDerWaalsContact CE2-CD 3.45Å; F39-R47 HydrophobicContact CE2-CG 3.69Å; F39-R47 HydrophobicContact CZ-CB 3.67Å; F39-R47 HydrophobicContact CZ-CG 3.54Å; H44-R47 HydrophobicContact CB-CB 4.28Å; H44-R47 PolarHBondContact O-N 3.15Å; H44-R47 VanDerWaalsContact O-N 3.16Å; P45-R47 VanDerWaalsContact C-N 3.34Å; P45-R47 PolarHBondContact O-N 2.94Å; R47-Q50 PolarHBondContact O-N 3.03Å; R47-L51 HydrophobicContact CG-CD1 4.21Å; R47-L51 HydrophobicContact CG-CG 4.4Å; R47-L51 WeakPolarHBondContact O-CB 3.04Å; R47-L51 WeakPolarHBondContact O-CG 3.43Å; R47-L51 PolarHBondContact O-N 3.44Å
48C84.5Confident82.8Confident22 Ų2288.2 Ų88.215%0.14944%0.436CS..Hα-helixtrans-58.9-48.8170-175.10000110.6F39 N41 H44 P45 Q50 L51 V52F39-C48 HydrophobicContact CD1-CB 4.18Å; F39-C48 HydrophobicContact CE1-CB 3.96Å; N41-C48 PolarHBondContact OD1-SG 3.41Å; H44-C48 PolarHBondContact O-N 3.47Å; H44-C48 VanDerWaalsContact O-N 3.14Å; P45-C48 WeakPolarHBondContact O-CB 3.48Å; P45-C48 PolarHBondContact O-N 3Å; C48-Q50 VanDerWaalsContact C-N 3.33Å; C48-Q50 PolarHBondContact O-N 3.42Å; C48-L51 PolarHBondContact O-N 3.44Å; C48-L51 VanDerWaalsContact O-N 3.16Å; C48-V52 WeakPolarHBondContact O-CG2 3.42Å; C48-V52 PolarHBondContact O-N 2.91Å
49Q86.5Confident83.4Confident142 Ų14284.2 Ų84.266%0.66440%0.403SS*.Hα-helixtrans-58.7-41.8175.9-69.7176.8-6.200112.5P45 E46 V52 A53P45-Q49 PolarHBondContact O-N 3.37Å; E46-Q49 PolarHBondContact O-N 3.45Å; Q49-V52 PolarHBondContact O-N 3.22Å; Q49-A53 WeakPolarHBondContact O-CB 3.39Å; Q49-A53 PolarHBondContact O-N 3.32Å
50Q89.4Confident84.4Confident122 Ų12284.5 Ų84.557%0.5741%0.406SS*.Hα-helixtrans-63.5-41.2175.6-70.417016.500112.6E46 R47 C48 A53 K54E46-Q50 VanDerWaalsContact O-CG 3.31Å; E46-Q50 WeakPolarHBondContact O-CG 3.5Å; E46-Q50 PolarHBondContact O-N 2.88Å; R47-Q50 PolarHBondContact O-N 3.03Å; C48-Q50 VanDerWaalsContact C-N 3.33Å; C48-Q50 PolarHBondContact O-N 3.42Å; Q50-A53 PolarHBondContact O-N 2.93Å; Q50-K54 WeakPolarHBondContact O-CB 3.29Å; Q50-K54 PolarHBondContact O-N 3.2Å
51L88.6Confident85.5Confident8 Ų885.5 Ų85.54%0.04240%0.404CS..Hα-helixtrans-67.9-39.7177.1-71.9172.2000111.8E35 L36 F39 R47 C48 K54 L55E35-L51 HydrophobicContact CB-CD2 4.32Å; E35-L51 HydrophobicContact CG-CD1 4Å; E35-L51 HydrophobicContact CG-CD2 3.91Å; L36-L51 HydrophobicContact CD1-CB 3.65Å; L36-L51 HydrophobicContact CD1-CD1 4.27Å; F39-L51 HydrophobicContact CD2-CD1 4.11Å; F39-L51 HydrophobicContact CE2-CD1 4.48Å; F39-L51 HydrophobicContact CG-CD1 4.26Å; R47-L51 HydrophobicContact CG-CD1 4.21Å; R47-L51 HydrophobicContact CG-CG 4.4Å; R47-L51 WeakPolarHBondContact O-CB 3.04Å; R47-L51 WeakPolarHBondContact O-CG 3.43Å; R47-L51 PolarHBondContact O-N 3.44Å; C48-L51 PolarHBondContact O-N 3.44Å; C48-L51 VanDerWaalsContact O-N 3.16Å; L51-K54 PolarHBondContact O-N 3.35Å; L51-L55 WeakPolarHBondContact O-CB 3.44Å; L51-L55 PolarHBondContact O-N 3.17Å
52V87.2Confident87Confident40 Ų4081.3 Ų81.324%0.24238%0.382CS..Hα-helixtrans-63-44.6173.8172.10000111L36 C48 Q49 K54 L55 R56L36-V52 HydrophobicContact CD1-CG2 4.12Å; L36-V52 HydrophobicContact CD2-CG2 4.28Å; C48-V52 WeakPolarHBondContact O-CG2 3.42Å; C48-V52 PolarHBondContact O-N 2.91Å; Q49-V52 PolarHBondContact O-N 3.22Å; V52-K54 VanDerWaalsContact C-N 3.31Å; V52-K54 PolarHBondContact O-N 3.49Å; V52-L55 WeakPolarHBondContact O-CB 3.45Å; V52-L55 PolarHBondContact O-N 3.22Å; V52-R56 WeakPolarHBondContact O-CG 3.37Å; V52-R56 PolarHBondContact O-N 2.84Å
53A88.8Confident88.5Confident58 Ų5870.6 Ų70.648%0.47934%0.342SS..Hα-helixtrans-61.8-39.8175.400000112Q49 Q50 R56 S57Q49-A53 WeakPolarHBondContact O-CB 3.39Å; Q49-A53 PolarHBondContact O-N 3.32Å; Q50-A53 PolarHBondContact O-N 2.93Å; A53-R56 PolarHBondContact O-N 3.26Å; A53-S57 PolarHBondContact O-N 2.84Å
54K91.7Very high89.7Confident105 Ų10566.7 Ų66.746%0.45733%0.332SS..Hα-helixtrans-67.1-39175.6-168-178.3177.5-171.40112V32 Q50 L51 V52 S57 C58V32-K54 HydrophobicContact CG1-CB 4.13Å; V32-K54 HydrophobicContact CG1-CD 4.26Å; V32-K54 HydrophobicContact CG1-CG 4.18Å; V32-K54 HydrophobicContact CG2-CD 3.65Å; V32-K54 HydrophobicContact CG2-CG 3.84Å; Q50-K54 WeakPolarHBondContact O-CB 3.29Å; Q50-K54 PolarHBondContact O-N 3.2Å; L51-K54 PolarHBondContact O-N 3.35Å; V52-K54 VanDerWaalsContact C-N 3.31Å; V52-K54 PolarHBondContact O-N 3.49Å; K54-S57 PolarHBondContact O-N 2.83Å; K54-C58 PolarHBondContact O-N 2.88Å; K54-C58 PolarHBondContact O-SG 3.33Å; K54-C58 VanDerWaalsContact O-SG 3.39Å
55L90.7Very high90.5Very high26 Ų2661.7 Ų61.714%0.13631%0.309CS..Hα-helixtrans-59.5-48.6175.4-173.776.3000110.1L29 V32 A33 L36 L51 V52 S57 C58 Q59L29-L55 HydrophobicContact CD1-CD1 3.67Å; L29-L55 HydrophobicContact CD1-CG 4.36Å; V32-L55 HydrophobicContact CB-CD1 4.45Å; V32-L55 HydrophobicContact CG1-CB 3.98Å; V32-L55 HydrophobicContact CG1-CD1 4.17Å; A33-L55 HydrophobicContact CB-CD1 4.02Å; L36-L55 HydrophobicContact CD2-CD2 4.17Å; L51-L55 WeakPolarHBondContact O-CB 3.44Å; L51-L55 PolarHBondContact O-N 3.17Å; V52-L55 WeakPolarHBondContact O-CB 3.45Å; V52-L55 PolarHBondContact O-N 3.22Å; L55-S57 PolarHBondContact O-N 2.97Å; L55-C58 WeakPolarHBondContact O-CB 3.48Å; L55-C58 PolarHBondContact O-N 2.89Å; L55-C58 VanDerWaalsContact O-N 3.12Å; L55-Q59 WeakPolarHBondContact O-CG 3.24Å; L55-Q59 PolarHBondContact O-N 3.21Å
56R89.7Confident91.2Very high88 Ų8857.8 Ų57.833%0.33228%0.283SS..Hα-helixtrans-58.4-46.7176.3-71.2178.1-179.7169.90.6112.3V52 A53 C58 Q59 D60V52-R56 WeakPolarHBondContact O-CG 3.37Å; V52-R56 PolarHBondContact O-N 2.84Å; A53-R56 PolarHBondContact O-N 3.26Å; R56-C58 VanDerWaalsContact C-N 3.29Å; R56-C58 PolarHBondContact O-N 3.1Å; R56-Q59 WeakPolarHBondContact O-CB 3.12Å; R56-Q59 PolarHBondContact O-N 3.3Å; R56-Q59 VanDerWaalsContact O-N 3.09Å; R56-D60 PolarHBondContact O-N 3.05Å
57S91.9Very high91.6Very high77 Ų7755.9 Ų55.954%0.53827%0.274SS..Hα-helixtrans-61.2-36.3175.7178.40000112.9A53 K54 L55 R61A53-S57 PolarHBondContact O-N 2.84Å; K54-S57 PolarHBondContact O-N 2.83Å; L55-S57 PolarHBondContact O-N 2.97Å; S57-R61 PolarHBondContact O-N 2.82Å; S57-R61 VanDerWaalsContact O-N 3.12Å
58C93.8Very high92Very high17 Ų1753 Ų5312%0.11527%0.266CS..Hα-helixtrans-68.7-38.7173.1-72.30000112.3L29 K54 L55 R56 R61 V62L29-C58 HydrophobicContact CB-CB 3.94Å; L29-C58 HydrophobicContact CD1-CB 3.65Å; L29-C58 HydrophobicContact CG-CB 4.39Å; K54-C58 PolarHBondContact O-N 2.88Å; K54-C58 PolarHBondContact O-SG 3.33Å; K54-C58 VanDerWaalsContact O-SG 3.39Å; L55-C58 WeakPolarHBondContact O-CB 3.48Å; L55-C58 PolarHBondContact O-N 2.89Å; L55-C58 VanDerWaalsContact O-N 3.12Å; R56-C58 VanDerWaalsContact C-N 3.29Å; R56-C58 PolarHBondContact O-N 3.1Å; C58-R61 PolarHBondContact O-N 2.9Å; C58-V62 WeakPolarHBondContact O-CG2 3.42Å; C58-V62 PolarHBondContact O-N 3.33Å; C58-V62 VanDerWaalsContact O-N 3.08Å
59Q94.1Very high92.6Very high4 Ų452 Ų522%0.01926%0.259CS..Hα-helixtrans-61.3-50.4174.2-74.3173.6-41.900110.9L29 L55 R56 R61 V62 L63 W103 E107L29-Q59 HydrophobicContact CD1-CG 3.84Å; L29-Q59 HydrophobicContact CD2-CG 4.47Å; L55-Q59 WeakPolarHBondContact O-CG 3.24Å; L55-Q59 PolarHBondContact O-N 3.21Å; R56-Q59 WeakPolarHBondContact O-CB 3.12Å; R56-Q59 PolarHBondContact O-N 3.3Å; R56-Q59 VanDerWaalsContact O-N 3.09Å; Q59-R61 VanDerWaalsContact C-N 3.27Å; Q59-R61 PolarHBondContact O-N 2.94Å; Q59-V62 PolarHBondContact O-N 3.21Å; Q59-V62 VanDerWaalsContact O-N 3.1Å; Q59-L63 WeakPolarHBondContact O-CG 3.31Å; Q59-L63 PolarHBondContact O-N 3.22Å; Q59-W103 HydrophobicContact CB-CD2 4.12Å; Q59-W103 HydrophobicContact CB-CE3 3.49Å; Q59-W103 VanDerWaalsContact CB-CE3 3.49Å; Q59-W103 HydrophobicContact CB-CH2 4.46Å; Q59-W103 HydrophobicContact CB-CZ3 3.71Å; Q59-W103 HydrophobicContact CG-CD2 3.96Å; Q59-W103 HydrophobicContact CG-CE3 3.73Å; Q59-W103 HydrophobicContact CG-CH2 4.07Å; Q59-W103 HydrophobicContact CG-CZ2 4.24Å; Q59-W103 HydrophobicContact CG-CZ3 3.81Å; Q59-E107 PolarHBondContact NE2-OE2 2.84Å; Q59-E107 VanDerWaalsContact NE2-OE2 3.16Å
60D93Very high93Very high37 Ų3745.4 Ų45.420%0.19823%0.228CC..Hα-helixtrans-53-46175.2-75.4-40.6000111.4R56 V62 L63 Q64 G100R56-D60 PolarHBondContact O-N 3.05Å; D60-V62 VanDerWaalsContact C-N 3.35Å; D60-V62 PolarHBondContact O-N 3.25Å; D60-L63 PolarHBondContact O-N 3.48Å; D60-Q64 WeakPolarHBondContact O-CB 3.28Å; D60-Q64 PolarHBondContact O-N 3.4Å; D60-G100 WeakPolarHBondContact OD1-CA 3.49Å; D60-G100 PolarHBondContact OD1-N 3.48Å
61R94.3Very high93.3Very high93 Ų9342 Ų4235%0.35122%0.217SC..Hα-helixtrans-64-38.6180-175.257.7-179.9137.46112.7A25 S57 C58 Q59 I65 E68A25-R61 HydrophobicContact CB-CG 4.2Å; S57-R61 PolarHBondContact O-N 2.82Å; S57-R61 VanDerWaalsContact O-N 3.12Å; C58-R61 PolarHBondContact O-N 2.9Å; Q59-R61 VanDerWaalsContact C-N 3.27Å; Q59-R61 PolarHBondContact O-N 2.94Å; R61-I65 HydrophobicContact CG-CD1 4.19Å; R61-I65 WeakPolarHBondContact O-CD1 3.45Å; R61-I65 VanDerWaalsContact O-CG1 3.3Å; R61-I65 WeakPolarHBondContact O-CG1 3.36Å; R61-I65 PolarHBondContact O-N 3.04Å; R61-E68 IonicContact NH1-OE1 3.7Å; R61-E68 PolarHBondContact NH1-OE1 3.03Å
62V96.3Very high93.5Very high0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-65-46176165.80000110.4F22 A25 L29 C58 Q59 D60 I65 I66 W103F22-V62 HydrophobicContact CE2-CG1 3.84Å; A25-V62 HydrophobicContact CB-CG2 3.92Å; L29-V62 HydrophobicContact CD2-CG2 4.07Å; C58-V62 WeakPolarHBondContact O-CG2 3.42Å; C58-V62 PolarHBondContact O-N 3.33Å; C58-V62 VanDerWaalsContact O-N 3.08Å; Q59-V62 PolarHBondContact O-N 3.21Å; Q59-V62 VanDerWaalsContact O-N 3.1Å; D60-V62 VanDerWaalsContact C-N 3.35Å; D60-V62 PolarHBondContact O-N 3.25Å; V62-I65 PolarHBondContact O-N 3.47Å; V62-I66 HydrophobicContact CG1-CD1 3.97Å; V62-I66 WeakPolarHBondContact O-CG1 3.42Å; V62-I66 PolarHBondContact O-N 3.45Å; V62-W103 HydrophobicContact CB-CH2 4.47Å; V62-W103 HydrophobicContact CB-CZ3 4.04Å; V62-W103 HydrophobicContact CG1-CH2 4.13Å; V62-W103 HydrophobicContact CG1-CZ3 3.94Å
63L96.2Very high93.8Very high10 Ų1049 Ų495%0.05224%0.243CC..Hα-helixtrans-62.6-43178.3-66.6175.6000112.1Q59 D60 I65 I66 E67 S99 W103 F165 F169Q59-L63 WeakPolarHBondContact O-CG 3.31Å; Q59-L63 PolarHBondContact O-N 3.22Å; D60-L63 PolarHBondContact O-N 3.48Å; L63-I65 VanDerWaalsContact C-N 3.29Å; L63-I65 PolarHBondContact O-N 3.46Å; L63-I66 WeakPolarHBondContact O-CB 3.4Å; L63-I66 PolarHBondContact O-N 3Å; L63-I66 VanDerWaalsContact O-N 3.1Å; L63-E67 PolarHBondContact O-N 3.21Å; L63-S99 VanDerWaalsContact CD1-O 3.23Å; L63-S99 WeakPolarHBondContact CD1-O 3.15Å; L63-W103 HydrophobicContact CD1-CB 4.12Å; L63-W103 HydrophobicContact CD1-CE3 3.81Å; L63-W103 HydrophobicContact CD2-CE3 3.85Å; L63-W103 HydrophobicContact CD2-CZ3 4.25Å; L63-W103 HydrophobicContact CG-CE3 3.64Å; L63-W103 HydrophobicContact CG-CZ3 4.06Å; L63-F165 HydrophobicContact CD2-CE2 4.21Å; L63-F165 HydrophobicContact CD2-CZ 3.71Å; L63-F169 HydrophobicContact CD1-CE2 4.22Å; L63-F169 HydrophobicContact CD1-CZ 4.28Å; L63-F169 HydrophobicContact CD2-CE2 4.23Å
64Q94.8Very high94.2Very high101 Ų10147.4 Ų47.447%0.47223%0.225SC..Hα-helixtrans-58.1-41.7175.9-172.6-176.13300111.8D60 E67 E68D60-Q64 WeakPolarHBondContact O-CB 3.28Å; D60-Q64 PolarHBondContact O-N 3.4Å; Q64-E67 PolarHBondContact O-N 3.48Å; Q64-E68 WeakPolarHBondContact O-CG 3.39Å; Q64-E68 PolarHBondContact O-N 3.5Å
65I95.5Very high94.2Very high1 Ų147.1 Ų47.11%0.00523%0.234CC..Hα-helixtrans-69.5-35.5177.6-65.5161.9000111.3P18 K21 F22 A25 R61 V62 L63 E67 E68 M69P18-I65 HydrophobicContact CB-CG2 4.49Å; P18-I65 WeakPolarHBondContact O-CG2 3.46Å; K21-I65 HydrophobicContact CB-CD1 3.97Å; K21-I65 HydrophobicContact CB-CG1 4.3Å; K21-I65 HydrophobicContact CB-CG2 4.29Å; F22-I65 HydrophobicContact CB-CG2 3.83Å; F22-I65 HydrophobicContact CD2-CG2 4.41Å; A25-I65 HydrophobicContact CB-CD1 3.51Å; R61-I65 HydrophobicContact CG-CD1 4.19Å; R61-I65 WeakPolarHBondContact O-CD1 3.45Å; R61-I65 VanDerWaalsContact O-CG1 3.3Å; R61-I65 WeakPolarHBondContact O-CG1 3.36Å; R61-I65 PolarHBondContact O-N 3.04Å; V62-I65 PolarHBondContact O-N 3.47Å; L63-I65 VanDerWaalsContact C-N 3.29Å; L63-I65 PolarHBondContact O-N 3.46Å; I65-E67 VanDerWaalsContact C-N 3.32Å; I65-E68 WeakPolarHBondContact O-CB 3.26Å; I65-E68 PolarHBondContact O-N 3.44Å; I65-M69 HydrophobicContact CG2-CE 3.99Å; I65-M69 WeakPolarHBondContact O-CG 3.41Å; I65-M69 PolarHBondContact O-N 3.23Å
66I96.9Very high94.2Very high1 Ų148.1 Ų48.11%0.00524%0.239CC..Hα-helixtrans-64-40.1173.3-69168.6000110.4F22 V62 L63 M69 L70 L139 L143 L162 F165F22-I66 HydrophobicContact CD2-CG1 4.37Å; F22-I66 HydrophobicContact CE2-CD1 4.27Å; F22-I66 HydrophobicContact CE2-CG1 4.17Å; V62-I66 HydrophobicContact CG1-CD1 3.97Å; V62-I66 WeakPolarHBondContact O-CG1 3.42Å; V62-I66 PolarHBondContact O-N 3.45Å; L63-I66 WeakPolarHBondContact O-CB 3.4Å; L63-I66 PolarHBondContact O-N 3Å; L63-I66 VanDerWaalsContact O-N 3.1Å; I66-M69 WeakPolarHBondContact O-CB 3.16Å; I66-M69 PolarHBondContact O-N 3.04Å; I66-L70 HydrophobicContact CG2-CD1 4.19Å; I66-L70 WeakPolarHBondContact O-CG 3.22Å; I66-L70 PolarHBondContact O-N 3.31Å; I66-L139 HydrophobicContact CD1-CD2 4.16Å; I66-L139 HydrophobicContact CG2-CD2 4.43Å; I66-L143 HydrophobicContact CG1-CD1 4.11Å; I66-L162 HydrophobicContact CG2-CD2 3.87Å; I66-F165 HydrophobicContact CB-CE1 4.48Å; I66-F165 HydrophobicContact CG2-CD1 3.63Å; I66-F165 HydrophobicContact CG2-CE1 3.46Å; I66-F165 VanDerWaalsContact CG2-CE1 3.46Å; I66-F165 HydrophobicContact CG2-CZ 4.34Å
67E94.4Very high94.1Very high105 Ų10547 Ų4749%0.49124%0.243SC..Hα-helixtrans-65.6-39.8174.1-172.3173.7-164.500112.3L63 Q64 I65 M69 L70 S71L63-E67 PolarHBondContact O-N 3.21Å; Q64-E67 PolarHBondContact O-N 3.48Å; I65-E67 VanDerWaalsContact C-N 3.32Å; E67-M69 VanDerWaalsContact C-N 3.3Å; E67-M69 PolarHBondContact O-N 2.88Å; E67-L70 PolarHBondContact O-N 3.32Å; E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.06Å; E67-S71 PolarHBondContact O-OG 3.42Å
68E94.5Very high94Very high56 Ų5651.9 Ų51.926%0.26225%0.25SS..Hα-helixtrans-56.7-43.3169.4-72.5175.6-136.600110.6K21 R61 Q64 I65 Y72K21-E68 IonicContact NZ-OE2 3.72Å; K21-E68 PolarHBondContact NZ-OE2 2.88Å; R61-E68 IonicContact NH1-OE1 3.7Å; R61-E68 PolarHBondContact NH1-OE1 3.03Å; Q64-E68 WeakPolarHBondContact O-CG 3.39Å; Q64-E68 PolarHBondContact O-N 3.5Å; I65-E68 WeakPolarHBondContact O-CB 3.26Å; I65-E68 PolarHBondContact O-N 3.44Å; E68-Y72 WeakPolarHBondContact O-CB 3.34Å; E68-Y72 PolarHBondContact O-N 2.92Å
69M95.9Very high93.9Very high0 Ų055.3 Ų55.30%027%0.267CS..Hα-helixtrans-66-45.9177-70.8174.2-179.700112.7P18 L19 F22 I65 I66 E67 S71 Y72 L73 L143 Y154 L162P18-M69 HydrophobicContact CB-CE 3.92Å; P18-M69 HydrophobicContact CB-CG 3.5Å; P18-M69 VanDerWaalsContact CB-CG 3.5Å; P18-M69 WeakPolarHBondContact O-CE 3.37Å; L19-M69 HydrophobicContact CB-CE 4.4Å; L19-M69 HydrophobicContact CD2-CE 3.87Å; L19-M69 HydrophobicContact CG-CE 4Å; F22-M69 HydrophobicContact CB-CE 3.56Å; F22-M69 HydrophobicContact CD2-CE 4.31Å; F22-M69 HydrophobicContact CG-CE 4.08Å; I65-M69 HydrophobicContact CG2-CE 3.99Å; I65-M69 WeakPolarHBondContact O-CG 3.41Å; I65-M69 PolarHBondContact O-N 3.23Å; I66-M69 WeakPolarHBondContact O-CB 3.16Å; I66-M69 PolarHBondContact O-N 3.04Å; E67-M69 VanDerWaalsContact C-N 3.3Å; E67-M69 PolarHBondContact O-N 2.88Å; M69-S71 VanDerWaalsContact C-N 3.33Å; M69-Y72 PolarHBondContact O-N 2.91Å; M69-L73 WeakPolarHBondContact O-CB 3.39Å; M69-L73 VanDerWaalsContact O-CG 3.28Å; M69-L73 WeakPolarHBondContact O-CG 3.39Å; M69-L73 PolarHBondContact O-N 3.34Å; M69-L143 HydrophobicContact CE-CD2 4.26Å; M69-L143 HydrophobicContact SD-CD1 4.01Å; M69-L143 HydrophobicContact SD-CD2 3.73Å; M69-Y154 HydrophobicContact CG-CE1 4.22Å; M69-Y154 HydrophobicContact SD-CE1 4.17Å; M69-L162 HydrophobicContact CB-CD1 4.3Å; M69-L162 HydrophobicContact SD-CD2 4.48Å
70L96.2Very high93.8Very high5 Ų558 Ų583%0.02628%0.277CS..Hα-helixtrans-59.1-47178.2-79.9166000110.6I66 E67 Y72 L73 F74 L162 F165 D166I66-L70 HydrophobicContact CG2-CD1 4.19Å; I66-L70 WeakPolarHBondContact O-CG 3.22Å; I66-L70 PolarHBondContact O-N 3.31Å; E67-L70 PolarHBondContact O-N 3.32Å; L70-Y72 VanDerWaalsContact C-N 3.33Å; L70-Y72 PolarHBondContact O-N 3.36Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-F74 HydrophobicContact CD2-CD2 4.02Å; L70-F74 HydrophobicContact CD2-CE2 4.24Å; L70-F74 WeakPolarHBondContact O-CA 3.43Å; L70-F74 WeakPolarHBondContact O-CB 3.3Å; L70-F74 PolarHBondContact O-N 3.49Å; L70-L162 HydrophobicContact CD2-CB 3.85Å; L70-F165 HydrophobicContact CD1-CD1 4.36Å; L70-D166 HydrophobicContact CD1-CB 3.94Å; L70-D166 HydrophobicContact CD2-CB 4.02Å
71S94.3Very high93.9Very high49 Ų4956.5 Ų56.534%0.34327%0.27SS..Hα-helixtrans-66.2-34.7179.7-52.60000112.4E67 M69 P75 R80E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.06Å; E67-S71 PolarHBondContact O-OG 3.42Å; M69-S71 VanDerWaalsContact C-N 3.33Å; S71-P75 WeakPolarHBondContact O-CA 3.23Å; S71-R80 PolarHBondContact OG-NH1 3.22Å
72Y93Very high93.7Very high161 Ų16155.5 Ų55.563%0.63128%0.276SS*.Hα-helixtrans-71.1-39.1175.8175-107.6000113.3E68 M69 L70 Y154E68-Y72 WeakPolarHBondContact O-CB 3.34Å; E68-Y72 PolarHBondContact O-N 2.92Å; M69-Y72 PolarHBondContact O-N 2.91Å; L70-Y72 VanDerWaalsContact C-N 3.33Å; L70-Y72 PolarHBondContact O-N 3.36Å; Y72-Y154 HydrophobicContact CD1-CE2 4.44Å; Y72-Y154 HydrophobicContact CE1-CE2 4.28Å
73L94.8Very high93.5Very high36 Ų3658.1 Ų58.119%0.18829%0.285CS..Hα-helixtrans-87.3-30.3-175.2-67.5170.2000113.5M69 L70 Y154 K159 L162M69-L73 WeakPolarHBondContact O-CB 3.39Å; M69-L73 VanDerWaalsContact O-CG 3.28Å; M69-L73 WeakPolarHBondContact O-CG 3.39Å; M69-L73 PolarHBondContact O-N 3.34Å; L70-L73 PolarHBondContact O-N 2.94Å; L73-Y154 HydrophobicContact CD1-CD1 3.64Å; L73-Y154 HydrophobicContact CD1-CD2 4.44Å; L73-Y154 HydrophobicContact CD1-CE1 3.94Å; L73-Y154 HydrophobicContact CD1-CG 3.9Å; L73-Y154 HydrophobicContact CD2-CD1 4.41Å; L73-Y154 HydrophobicContact CD2-CD2 3.76Å; L73-Y154 HydrophobicContact CD2-CE2 4.26Å; L73-Y154 HydrophobicContact CD2-CG 3.83Å; L73-Y154 HydrophobicContact CG-CG 4.45Å; L73-K159 HydrophobicContact CD1-CG 4.42Å; L73-L162 HydrophobicContact CD1-CD1 3.5Å; L73-L162 VanDerWaalsContact CD1-CD1 3.5Å
74F95.7Very high93.1Very high24 Ų2463.2 Ų63.211%0.10531%0.313CS..  trans-131.171.3-176.4-49.9-75.9000108.9L70 D76 D79 R80 K159 L163L70-F74 HydrophobicContact CD2-CD2 4.02Å; L70-F74 HydrophobicContact CD2-CE2 4.24Å; L70-F74 WeakPolarHBondContact O-CA 3.43Å; L70-F74 WeakPolarHBondContact O-CB 3.3Å; L70-F74 PolarHBondContact O-N 3.49Å; F74-D76 PolarHBondContact O-N 2.94Å; F74-D79 HydrophobicContact CB-CB 4.15Å; F74-D79 HydrophobicContact CD1-CB 4.35Å; F74-R80 HydrophobicContact CB-CG 3.88Å; F74-K159 HydrophobicContact CZ-CB 3.97Å; F74-L163 HydrophobicContact CD1-CD1 4.41Å; F74-L163 HydrophobicContact CD1-CD2 4.02Å; F74-L163 HydrophobicContact CD2-CD2 3.72Å; F74-L163 HydrophobicContact CD2-CG 4.33Å; F74-L163 HydrophobicContact CE1-CD1 3.68Å; F74-L163 HydrophobicContact CE1-CD2 3.94Å; F74-L163 HydrophobicContact CE1-CG 3.92Å; F74-L163 HydrophobicContact CE2-CD1 4.38Å; F74-L163 HydrophobicContact CE2-CD2 3.62Å; F74-L163 HydrophobicContact CE2-CG 3.71Å; F74-L163 HydrophobicContact CG-CD2 3.9Å; F74-L163 HydrophobicContact CZ-CD1 3.65Å; F74-L163 HydrophobicContact CZ-CD2 3.72Å; F74-L163 HydrophobicContact CZ-CG 3.47Å; F74-L163 VanDerWaalsContact CZ-CG 3.47Å
75P92.6Very high92.9Very high98 Ų9859.6 Ų59.664%0.63630%0.295SS*.  trans-68.1-26.3-176.828.1-35.4000112.3S71 P77S71-P75 WeakPolarHBondContact O-CA 3.23Å; P75-P77 WeakPolarHBondContact O-CD 3.24Å
76D90.9Very high92.6Very high48 Ų4863 Ų6326%0.25731%0.308SS..SBendtrans-73.9117.7173.6-169-29.5000109.5F74 R78 D79F74-D76 PolarHBondContact O-N 2.94Å; D76-R78 PolarHBondContact O-N 2.89Å; D76-R78 VanDerWaalsContact O-N 3.1Å; D76-R78 VanDerWaalsContact OD1-CB 3.26Å; D76-R78 WeakPolarHBondContact OD1-CB 3.49Å; D76-R78 WeakPolarHBondContact OD1-CG 3.41Å; D76-R78 IonicContact OD1-CZ 2.79Å; D76-R78 PolarHBondContact OD1-N 3.49Å; D76-R78 IonicContact OD1-NE 3.92Å; D76-R78 PolarHBondContact OD1-NE 2.57Å; D76-R78 IonicContact OD1-NH2 2.79Å; D76-R78 IonicContact OD2-CZ 3.61Å; D76-R78 IonicContact OD2-NE 3.49Å; D76-R78 PolarHBondContact OD2-NE 2.96Å; D76-R78 VanDerWaalsContact OD2-NE 3.13Å; D76-R78 IonicContact OD2-NH2 3.66Å; D76-R78 PolarHBondContact OD2-NH2 2.84Å; D76-D79 WeakPolarHBondContact O-CB 3.47Å; D76-D79 PolarHBondContact O-N 3.45Å
77P86.8Confident92.1Very high64 Ų6466.2 Ų66.242%0.41633%0.327SS..G310 helixtrans-56.6-26.3178.5-2535.3000113.6P75 D79 R80P75-P77 WeakPolarHBondContact O-CD 3.24Å; P77-D79 PolarHBondContact O-N 3.21Å; P77-R80 PolarHBondContact O-N 3.32Å; P77-R80 VanDerWaalsContact O-N 3.13Å
78R89.5Confident91.8Very high180 Ų18063.1 Ų63.168%0.67931%0.312SS*.G310 helixtrans-70.1-18.9179.9-58.7173.9-66.3-164.71.6113.3D76 R80 D435D76-R78 PolarHBondContact O-N 2.89Å; D76-R78 VanDerWaalsContact O-N 3.1Å; D76-R78 VanDerWaalsContact OD1-CB 3.26Å; D76-R78 WeakPolarHBondContact OD1-CB 3.49Å; D76-R78 WeakPolarHBondContact OD1-CG 3.41Å; D76-R78 IonicContact OD1-CZ 2.79Å; D76-R78 PolarHBondContact OD1-N 3.49Å; D76-R78 IonicContact OD1-NE 3.92Å; D76-R78 PolarHBondContact OD1-NE 2.57Å; D76-R78 IonicContact OD1-NH2 2.79Å; D76-R78 IonicContact OD2-CZ 3.61Å; D76-R78 IonicContact OD2-NE 3.49Å; D76-R78 PolarHBondContact OD2-NE 2.96Å; D76-R78 VanDerWaalsContact OD2-NE 3.13Å; D76-R78 IonicContact OD2-NH2 3.66Å; D76-R78 PolarHBondContact OD2-NH2 2.84Å; R78-R80 VanDerWaalsContact C-N 3.28Å; R78-D435 IonicContact NH1-OD2 3.64Å
79D91.5Very high91.5Very high89 Ų8960.9 Ų60.948%0.47630%0.301SS..G310 helixtrans-83.2-7.5175.1-68.3-26.9000112.4F74 D76 P77 L163F74-D79 HydrophobicContact CB-CB 4.15Å; F74-D79 HydrophobicContact CD1-CB 4.35Å; D76-D79 WeakPolarHBondContact O-CB 3.47Å; D76-D79 PolarHBondContact O-N 3.45Å; P77-D79 PolarHBondContact O-N 3.21Å; D79-L163 VanDerWaalsContact O-CD2 3.32Å; D79-L163 WeakPolarHBondContact O-CD2 3.42Å
80R94Very high91Very high60 Ų6062.5 Ų62.523%0.22631%0.312CS..SBendtrans-111.4166.9-176.4-67.5-168.3-65.8177-3111.7S71 F74 P77 R78 D166S71-R80 PolarHBondContact OG-NH1 3.22Å; F74-R80 HydrophobicContact CB-CG 3.88Å; P77-R80 PolarHBondContact O-N 3.32Å; P77-R80 VanDerWaalsContact O-N 3.13Å; R78-R80 VanDerWaalsContact C-N 3.28Å; R80-D166 WeakPolarHBondContact CA-OD2 3.22Å; R80-D166 VanDerWaalsContact CB-OD2 3.28Å; R80-D166 WeakPolarHBondContact CB-OD2 3.35Å
81A93.6Very high90.1Very high6 Ų665 Ų655%0.0533%0.325CS..  trans-64.4126.5176.400000110.6R83 D166 H167 A170A81-R83 PolarHBondContact O-NH1 2.88Å; A81-D166 WeakPolarHBondContact CB-O 3.31Å; A81-D166 PolarHBondContact N-OD2 3Å; A81-H167 HydrophobicContact CB-CB 4.4Å; A81-H167 WeakPolarHBondContact CB-ND1 3.27Å; A81-A170 HydrophobicContact CB-CB 3.71Å
82P90.9Very high89.5Confident72 Ų7266.1 Ų66.147%0.46833%0.327SS..  trans-66.6138-178.628.1-34.4000110.2Y85P82-Y85 VanDerWaalsContact O-CE1 3.32Å; P82-Y85 WeakPolarHBondContact O-CE1 3.36Å
83R92.4Very high89.1Confident54 Ų5459.3 Ų59.320%0.20430%0.303CS..  trans-124.817.8179.6-66.2-177.116879.4-9.1113.1A81 Y85 R86 D166 A170A81-R83 PolarHBondContact O-NH1 2.88Å; R83-Y85 HydrophobicContact CB-CE1 4.32Å; R83-Y85 HydrophobicContact CG-CE1 4.23Å; R83-Y85 PolarHBondContact O-N 3.1Å; R83-R86 HydrophobicContact CB-CG 4.47Å; R83-R86 VanDerWaalsContact CD-CZ 3.47Å; R83-R86 WeakPolarHBondContact O-CB 3.26Å; R83-R86 WeakPolarHBondContact O-CG 3.39Å; R83-R86 PolarHBondContact O-N 3.49Å; R83-D166 IonicContact CZ-OD1 2.79Å; R83-D166 IonicContact NH1-OD1 3.33Å; R83-D166 PolarHBondContact NH1-OD1 3.23Å; R83-D166 IonicContact NH1-OD2 3.64Å; R83-D166 PolarHBondContact NH2-O 2.91Å; R83-D166 IonicContact NH2-OD1 3.22Å; R83-D166 PolarHBondContact NH2-OD1 3.42Å; R83-A170 HydrophobicContact CG-CB 4.26Å
84D87.3Confident88.6Confident118 Ų11861.1 Ų61.163%0.63131%0.312SS*.G310 helixtrans-57.3-23.2179.1-51.8-32.3000111.8R86 V87D84-R86 PolarHBondContact O-N 2.91Å; D84-R86 VanDerWaalsContact O-N 3.13Å; D84-V87 WeakPolarHBondContact O-CG2 3.25Å; D84-V87 PolarHBondContact O-N 2.77Å
85Y89.6Confident88Confident25 Ų2563.7 Ų63.710%0.09833%0.325CS..G310 helixtrans-59.8-21.7174.862-106.8000114P82 R83 V87 K88 F89 A170 E173 L174P82-Y85 VanDerWaalsContact O-CE1 3.32Å; P82-Y85 WeakPolarHBondContact O-CE1 3.36Å; R83-Y85 HydrophobicContact CB-CE1 4.32Å; R83-Y85 HydrophobicContact CG-CE1 4.23Å; R83-Y85 PolarHBondContact O-N 3.1Å; Y85-V87 PolarHBondContact O-N 2.84Å; Y85-K88 WeakPolarHBondContact O-CB 3.39Å; Y85-K88 PolarHBondContact O-N 3.23Å; Y85-F89 AromaticContact CD2-CE1 3.89Å; Y85-F89 HydrophobicContact CD2-CE1 3.89Å; Y85-F89 AromaticContact CD2-CE2 3.95Å; Y85-F89 HydrophobicContact CD2-CE2 3.95Å; Y85-F89 AromaticContact CD2-CZ 3.38Å; Y85-F89 HydrophobicContact CD2-CZ 3.38Å; Y85-F89 HydrophobicContact CE2-CE1 4.46Å; Y85-F89 AromaticContact CE2-CE2 3.82Å; Y85-F89 HydrophobicContact CE2-CE2 3.82Å; Y85-F89 AromaticContact CE2-CZ 3.52Å; Y85-F89 HydrophobicContact CE2-CZ 3.52Å; Y85-A170 HydrophobicContact CE1-CB 4.46Å; Y85-A170 WeakPolarHBondContact OH-CA 3.39Å; Y85-A170 PolarHBondContact OH-O 3.08Å; Y85-E173 HydrophobicContact CE2-CG 4.18Å; Y85-E173 WeakPolarHBondContact CE2-OE1 3.29Å; Y85-E173 PolarHBondContact OH-OE1 3.09Å; Y85-L174 HydrophobicContact CD1-CB 4.26Å; Y85-L174 HydrophobicContact CD1-CD1 4.45Å; Y85-L174 HydrophobicContact CD1-CD2 3.99Å; Y85-L174 HydrophobicContact CD1-CG 4.46Å; Y85-L174 HydrophobicContact CD2-CB 4.1Å; Y85-L174 HydrophobicContact CD2-CD1 3.77Å; Y85-L174 HydrophobicContact CD2-CG 4.39Å; Y85-L174 HydrophobicContact CE1-CB 4.13Å; Y85-L174 HydrophobicContact CE2-CB 4.01Å; Y85-L174 HydrophobicContact CE2-CD1 4.49Å; Y85-L174 HydrophobicContact CG-CB 4.26Å; Y85-L174 HydrophobicContact CG-CD1 3.78Å; Y85-L174 HydrophobicContact CG-CD2 4.11Å; Y85-L174 HydrophobicContact CG-CG 4.26Å
86R90.8Very high87.3Confident73 Ų7367.2 Ų67.228%0.27534%0.338SS..G310 helixtrans-59.7-28179.9-77-178175.5168-5.6112.8R83 D84 K88 F89 L94 E173R83-R86 HydrophobicContact CB-CG 4.47Å; R83-R86 VanDerWaalsContact CD-CZ 3.47Å; R83-R86 WeakPolarHBondContact O-CB 3.26Å; R83-R86 WeakPolarHBondContact O-CG 3.39Å; R83-R86 PolarHBondContact O-N 3.49Å; D84-R86 PolarHBondContact O-N 2.91Å; D84-R86 VanDerWaalsContact O-N 3.13Å; R86-K88 PolarHBondContact O-N 3.39Å; R86-K88 VanDerWaalsContact O-N 3.15Å; R86-F89 HydrophobicContact CB-CD2 4.43Å; R86-F89 HydrophobicContact CG-CD2 4.22Å; R86-F89 HydrophobicContact CG-CE2 4.07Å; R86-F89 WeakPolarHBondContact O-CB 3.34Å; R86-F89 PolarHBondContact O-N 3.3Å; R86-L94 HydrophobicContact CB-CD1 4.04Å; R86-L94 HydrophobicContact CG-CD1 4.26Å; R86-E173 IonicContact CZ-OE1 2.76Å; R86-E173 IonicContact CZ-OE2 2.79Å; R86-E173 IonicContact NE-OE1 3.23Å; R86-E173 PolarHBondContact NE-OE1 3.33Å; R86-E173 IonicContact NE-OE2 3.34Å; R86-E173 IonicContact NH2-OE1 3.03Å; R86-E173 PolarHBondContact NH2-OE1 2.89Å; R86-E173 IonicContact NH2-OE2 3.73Å; R86-E173 PolarHBondContact NH2-OE2 3.25Å
87V84.9Confident87Confident67 Ų6767.1 Ų67.141%0.40634%0.341SS..G310 helixtrans-63-19.5176.1-53.80000113.1D84 Y85 Y189D84-V87 WeakPolarHBondContact O-CG2 3.25Å; D84-V87 PolarHBondContact O-N 2.77Å; Y85-V87 PolarHBondContact O-N 2.84Å; V87-Y189 HydrophobicContact CB-CE2 3.79Å; V87-Y189 HydrophobicContact CG2-CD1 4.1Å; V87-Y189 HydrophobicContact CG2-CD2 4.06Å; V87-Y189 HydrophobicContact CG2-CE1 3.59Å; V87-Y189 HydrophobicContact CG2-CE2 3.57Å; V87-Y189 HydrophobicContact CG2-CG 4.31Å
88K87.7Confident87.1Confident41 Ų4164.8 Ų64.818%0.17832%0.324CS..G310 helixtrans-87.9-13177.7-59.3177.7-63.5-179.10112.5Y85 R86 V183 K184 Y189Y85-K88 WeakPolarHBondContact O-CB 3.39Å; Y85-K88 PolarHBondContact O-N 3.23Å; R86-K88 PolarHBondContact O-N 3.39Å; R86-K88 VanDerWaalsContact O-N 3.15Å; K88-V183 HydrophobicContact CB-CG1 3.58Å; K88-V183 WeakPolarHBondContact O-CG1 3.46Å; K88-K184 HydrophobicContact CB-CB 4.15Å; K88-K184 WeakPolarHBondContact CB-O 3.46Å; K88-K184 WeakPolarHBondContact CD-O 3.31Å; K88-K184 PolarHBondContact O-N 2.97Å; K88-Y189 HydrophobicContact CG-CG 4.39Å
89F89.1Confident87.3Confident8 Ų857.7 Ų57.74%0.03530%0.302CS..SBendtrans-74.9149.5179.4-63.5-10.2000110.7Y85 R86 L94 E173 L174 V177 V183Y85-F89 AromaticContact CD2-CE1 3.89Å; Y85-F89 HydrophobicContact CD2-CE1 3.89Å; Y85-F89 AromaticContact CD2-CE2 3.95Å; Y85-F89 HydrophobicContact CD2-CE2 3.95Å; Y85-F89 AromaticContact CD2-CZ 3.38Å; Y85-F89 HydrophobicContact CD2-CZ 3.38Å; Y85-F89 HydrophobicContact CE2-CE1 4.46Å; Y85-F89 AromaticContact CE2-CE2 3.82Å; Y85-F89 HydrophobicContact CE2-CE2 3.82Å; Y85-F89 AromaticContact CE2-CZ 3.52Å; Y85-F89 HydrophobicContact CE2-CZ 3.52Å; R86-F89 HydrophobicContact CB-CD2 4.43Å; R86-F89 HydrophobicContact CG-CD2 4.22Å; R86-F89 HydrophobicContact CG-CE2 4.07Å; R86-F89 WeakPolarHBondContact O-CB 3.34Å; R86-F89 PolarHBondContact O-N 3.3Å; F89-L94 HydrophobicContact CD2-CD1 4.47Å; F89-L94 HydrophobicContact CD2-CD2 4.06Å; F89-L94 HydrophobicContact CD2-CG 4.35Å; F89-E173 HydrophobicContact CE2-CG 4.22Å; F89-L174 HydrophobicContact CE1-CD1 4.03Å; F89-L174 HydrophobicContact CZ-CD1 4.25Å; F89-V177 HydrophobicContact CD1-CB 4.45Å; F89-V177 HydrophobicContact CD1-CG1 3.67Å; F89-V177 HydrophobicContact CD2-CB 4.48Å; F89-V177 HydrophobicContact CD2-CG1 3.91Å; F89-V177 HydrophobicContact CD2-CG2 4.38Å; F89-V177 HydrophobicContact CE1-CB 3.93Å; F89-V177 HydrophobicContact CE1-CG1 3.64Å; F89-V177 HydrophobicContact CE2-CB 3.97Å; F89-V177 HydrophobicContact CE2-CG1 3.89Å; F89-V177 HydrophobicContact CE2-CG2 3.82Å; F89-V177 HydrophobicContact CG-CG1 3.81Å; F89-V177 HydrophobicContact CZ-CB 3.65Å; F89-V177 HydrophobicContact CZ-CG1 3.75Å; F89-V177 HydrophobicContact CZ-CG2 3.97Å; F89-V183 HydrophobicContact CD1-CB 4.44Å; F89-V183 HydrophobicContact CD1-CG1 3.82Å; F89-V183 HydrophobicContact CD1-CG2 3.7Å; F89-V183 HydrophobicContact CE1-CG1 4.14Å; F89-V183 HydrophobicContact CE1-CG2 3.99Å
90P85Confident87.2Confident34 Ų3453.5 Ų53.522%0.22128%0.28CS..  trans-57.3142165.6-23.133.6000112D92 V93 V181P90-D92 WeakPolarHBondContact CB-OD1 3.32Å; P90-D92 PolarHBondContact O-N 3.4Å; P90-D92 VanDerWaalsContact O-N 3.08Å; P90-V93 HydrophobicContact CB-CG2 4.07Å; P90-V93 HydrophobicContact CG-CG2 4.2Å; P90-V93 PolarHBondContact O-N 3Å; P90-V93 VanDerWaalsContact O-N 3.15Å; P90-V181 HydrophobicContact CG-CG2 4.27Å
91D77.5Confident87.1Confident58 Ų5853.4 Ų53.431%0.3128%0.282SS..THydrogen-bonded Turntrans-55.5-26.2-177.6-9723.7000113.6V421 K424D91-V421 WeakPolarHBondContact OD1-CG2 3.31Å; D91-K424 IonicContact OD2-NZ 3.32Å; D91-K424 PolarHBondContact OD2-NZ 2.9Å
92D81.3Confident87.2Confident72 Ų7253.1 Ų53.139%0.38528%0.28SS..THydrogen-bonded Turntrans-86.3-11.2-175.659.7-47.6000114.3P90P90-D92 WeakPolarHBondContact CB-OD1 3.32Å; P90-D92 PolarHBondContact O-N 3.4Å; P90-D92 VanDerWaalsContact O-N 3.08Å
93V85.7Confident87.4Confident19 Ų1950 Ų5012%0.11526%0.258CS..THydrogen-bonded Turntrans-74.4-40.4178.1177.20000111.4P90 H95 F98 V177 V181P90-V93 HydrophobicContact CB-CG2 4.07Å; P90-V93 HydrophobicContact CG-CG2 4.2Å; P90-V93 PolarHBondContact O-N 3Å; P90-V93 VanDerWaalsContact O-N 3.15Å; V93-H95 PolarHBondContact O-N 2.86Å; V93-F98 HydrophobicContact CG1-CD2 4.39Å; V93-F98 HydrophobicContact CG1-CE2 3.8Å; V93-F98 HydrophobicContact CG1-CZ 3.9Å; V93-F98 WeakPolarHBondContact O-CD2 3.41Å; V93-V177 HydrophobicContact CG1-CG1 4.01Å; V93-V177 HydrophobicContact CG1-CG2 4.06Å; V93-V181 HydrophobicContact CG2-CG1 4.47Å; V93-V181 HydrophobicContact CG2-CG2 3.86Å
94L82.9Confident87.4Confident74 Ų7449.4 Ų49.439%0.38726%0.257SS..  trans-88.7103.1-173.3-61.9177.5000110R86 F89 F98R86-L94 HydrophobicContact CB-CD1 4.04Å; R86-L94 HydrophobicContact CG-CD1 4.26Å; F89-L94 HydrophobicContact CD2-CD1 4.47Å; F89-L94 HydrophobicContact CD2-CD2 4.06Å; F89-L94 HydrophobicContact CD2-CG 4.35Å; L94-F98 HydrophobicContact CD2-CD1 3.81Å; L94-F98 HydrophobicContact CD2-CE1 3.87Å
95H84.9Confident87.7Confident78 Ų7844.1 Ų44.136%0.36123%0.23SC..  trans-134.8164.1175.661.146.3000110.8V93 S97 F98 Q101V93-H95 PolarHBondContact O-N 2.86Å; H95-S97 PolarHBondContact CE1-OG 2.87Å; H95-S97 VanDerWaalsContact CE1-OG 3.24Å; H95-S97 PolarHBondContact ND1-N 3.37Å; H95-S97 PolarHBondContact ND1-OG 3.23Å; H95-S97 PolarHBondContact O-N 2.64Å; H95-F98 VanDerWaalsContact CE1-CA 3.49Å; H95-F98 WeakPolarHBondContact CE1-CA 3.31Å; H95-F98 PolarHBondContact CE1-N 3.4Å; H95-F98 PolarHBondContact ND1-N 3.45Å; H95-F98 VanDerWaalsContact ND1-N 3.19Å; H95-F98 WeakPolarHBondContact O-CB 3.36Å; H95-F98 PolarHBondContact O-N 3.15Å; H95-Q101 VanDerWaalsContact CE1-CD 3.45Å; H95-Q101 PolarHBondContact CE1-NE2 3Å; H95-Q101 PolarHBondContact NE2-NE2 3.29Å
96D77.8Confident88Confident172 Ų17242.9 Ų42.992%0.9223%0.226SC*.THydrogen-bonded Turntrans-53.4-31.9-170.7-63.6-12.5000115.7
97S83.5Confident88.1Confident46 Ų4642.4 Ų42.432%0.32223%0.226SC..THydrogen-bonded Turntrans-92.18.2179.568.70000114.8H95 S99 G100 Q101H95-S97 PolarHBondContact CE1-OG 2.87Å; H95-S97 VanDerWaalsContact CE1-OG 3.24Å; H95-S97 PolarHBondContact ND1-N 3.37Å; H95-S97 PolarHBondContact ND1-OG 3.23Å; H95-S97 PolarHBondContact O-N 2.64Å; S97-S99 PolarHBondContact O-N 3.06Å; S97-G100 PolarHBondContact O-N 2.83Å; S97-Q101 WeakPolarHBondContact O-CG 3.29Å; S97-Q101 PolarHBondContact O-N 2.68Å; S97-Q101 VanDerWaalsContact O-N 3.15Å; S97-Q101 PolarHBondContact OG-NE2 3.1Å
98F90.1Very high88.5Confident15 Ų1540.6 Ų40.67%0.06622%0.216CC..Hα-helixtrans-65.9-39.6-170.4-179.8-116.3000111.8V93 L94 H95 G100 Q101 L102 E173 V177V93-F98 HydrophobicContact CG1-CD2 4.39Å; V93-F98 HydrophobicContact CG1-CE2 3.8Å; V93-F98 HydrophobicContact CG1-CZ 3.9Å; V93-F98 WeakPolarHBondContact O-CD2 3.41Å; L94-F98 HydrophobicContact CD2-CD1 3.81Å; L94-F98 HydrophobicContact CD2-CE1 3.87Å; H95-F98 VanDerWaalsContact CE1-CA 3.49Å; H95-F98 WeakPolarHBondContact CE1-CA 3.31Å; H95-F98 PolarHBondContact CE1-N 3.4Å; H95-F98 PolarHBondContact ND1-N 3.45Å; H95-F98 VanDerWaalsContact ND1-N 3.19Å; H95-F98 WeakPolarHBondContact O-CB 3.36Å; H95-F98 PolarHBondContact O-N 3.15Å; F98-G100 PolarHBondContact O-N 2.73Å; F98-Q101 WeakPolarHBondContact O-CB 3.42Å; F98-Q101 PolarHBondContact O-N 2.72Å; F98-Q101 VanDerWaalsContact O-N 3.16Å; F98-L102 HydrophobicContact CD1-CD1 3.99Å; F98-L102 HydrophobicContact CD1-CG 4.44Å; F98-L102 HydrophobicContact CE1-CD1 3.5Å; F98-L102 VanDerWaalsContact CE1-CD1 3.5Å; F98-L102 HydrophobicContact CE1-CD2 4.38Å; F98-L102 HydrophobicContact CE1-CG 3.99Å; F98-L102 HydrophobicContact CE2-CD2 4.21Å; F98-L102 HydrophobicContact CE2-CG 4.14Å; F98-L102 HydrophobicContact CZ-CD1 3.77Å; F98-L102 HydrophobicContact CZ-CD2 3.77Å; F98-L102 HydrophobicContact CZ-CG 3.77Å; F98-L102 PolarHBondContact O-N 3.13Å; F98-E173 HydrophobicContact CE1-CG 3.96Å; F98-E173 HydrophobicContact CZ-CG 4.47Å; F98-V177 HydrophobicContact CE1-CG2 4.24Å; F98-V177 HydrophobicContact CE2-CG2 4.23Å; F98-V177 HydrophobicContact CZ-CG2 3.4Å; F98-V177 VanDerWaalsContact CZ-CG2 3.4Å
99S91.9Very high88.9Confident31 Ų3138.9 Ų38.922%0.21721%0.209CC..Hα-helixtrans-60.9-43178.3-57.80000112.8L63 S97 L102 W103L63-S99 VanDerWaalsContact CD1-O 3.23Å; L63-S99 WeakPolarHBondContact CD1-O 3.15Å; S97-S99 PolarHBondContact O-N 3.06Å; S99-L102 WeakPolarHBondContact O-CB 3.42Å; S99-L102 PolarHBondContact O-N 2.97Å; S99-W103 PolarHBondContact O-N 2.78Å
100G91.4Very high89.2Confident0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-69.5-32.6175.100000113.2D60 S97 F98 L102 W103 F104D60-G100 WeakPolarHBondContact OD1-CA 3.49Å; D60-G100 PolarHBondContact OD1-N 3.48Å; S97-G100 PolarHBondContact O-N 2.83Å; F98-G100 PolarHBondContact O-N 2.73Å; G100-L102 VanDerWaalsContact C-N 3.35Å; G100-W103 PolarHBondContact O-N 3.25Å; G100-F104 WeakPolarHBondContact O-CB 3.34Å; G100-F104 PolarHBondContact O-N 3.5Å
101Q91.2Very high89.5Confident58 Ų5842.2 Ų42.227%0.27124%0.241SC..Hα-helixtrans-63.6-40.2171.2-69.2-179.71800111.9H95 S97 F98 F104 A105H95-Q101 VanDerWaalsContact CE1-CD 3.45Å; H95-Q101 PolarHBondContact CE1-NE2 3Å; H95-Q101 PolarHBondContact NE2-NE2 3.29Å; S97-Q101 WeakPolarHBondContact O-CG 3.29Å; S97-Q101 PolarHBondContact O-N 2.68Å; S97-Q101 VanDerWaalsContact O-N 3.15Å; S97-Q101 PolarHBondContact OG-NE2 3.1Å; F98-Q101 WeakPolarHBondContact O-CB 3.42Å; F98-Q101 PolarHBondContact O-N 2.72Å; F98-Q101 VanDerWaalsContact O-N 3.16Å; Q101-F104 PolarHBondContact O-N 3.47Å; Q101-A105 VanDerWaalsContact O-CB 3.32Å; Q101-A105 WeakPolarHBondContact O-CB 3.49Å; Q101-A105 PolarHBondContact O-N 3.01Å
102L94.6Very high90.2Very high1 Ų141.6 Ų41.61%0.00525%0.248CC..Hα-helixtrans-63.7-43.6174.1-73.1173.8000112.1F98 S99 G100 A105 A106 F169 F172 E173 Y176F98-L102 HydrophobicContact CD1-CD1 3.99Å; F98-L102 HydrophobicContact CD1-CG 4.44Å; F98-L102 HydrophobicContact CE1-CD1 3.5Å; F98-L102 VanDerWaalsContact CE1-CD1 3.5Å; F98-L102 HydrophobicContact CE1-CD2 4.38Å; F98-L102 HydrophobicContact CE1-CG 3.99Å; F98-L102 HydrophobicContact CE2-CD2 4.21Å; F98-L102 HydrophobicContact CE2-CG 4.14Å; F98-L102 HydrophobicContact CZ-CD1 3.77Å; F98-L102 HydrophobicContact CZ-CD2 3.77Å; F98-L102 HydrophobicContact CZ-CG 3.77Å; F98-L102 PolarHBondContact O-N 3.13Å; S99-L102 WeakPolarHBondContact O-CB 3.42Å; S99-L102 PolarHBondContact O-N 2.97Å; G100-L102 VanDerWaalsContact C-N 3.35Å; L102-A105 PolarHBondContact O-N 3.35Å; L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 2.95Å; L102-F169 HydrophobicContact CB-CE2 4.4Å; L102-F169 HydrophobicContact CB-CZ 3.89Å; L102-F169 HydrophobicContact CD1-CE1 3.74Å; L102-F169 HydrophobicContact CD1-CZ 3.9Å; L102-F172 HydrophobicContact CB-CE1 4.44Å; L102-F172 HydrophobicContact CD2-CD1 4.38Å; L102-F172 HydrophobicContact CD2-CE1 4.2Å; L102-F172 WeakPolarHBondContact O-CE1 3.47Å; L102-E173 HydrophobicContact CD1-CB 3.74Å; L102-E173 HydrophobicContact CD1-CG 3.74Å; L102-Y176 HydrophobicContact CD2-CD1 3.54Å; L102-Y176 HydrophobicContact CD2-CE1 4.25Å; L102-Y176 HydrophobicContact CD2-CG 4.12Å
103W95Very high90.8Very high5 Ų541.1 Ų41.12%0.01925%0.25CS..Hα-helixtrans-57.9-51.5174-179.6-3.7000110.2L29 Q59 V62 L63 S99 G100 A105 A106 E107 V136L29-W103 HydrophobicContact CD2-CH2 3.56Å; L29-W103 HydrophobicContact CD2-CZ2 4.22Å; L29-W103 HydrophobicContact CD2-CZ3 4.33Å; Q59-W103 HydrophobicContact CB-CD2 4.12Å; Q59-W103 HydrophobicContact CB-CE3 3.49Å; Q59-W103 VanDerWaalsContact CB-CE3 3.49Å; Q59-W103 HydrophobicContact CB-CH2 4.46Å; Q59-W103 HydrophobicContact CB-CZ3 3.71Å; Q59-W103 HydrophobicContact CG-CD2 3.96Å; Q59-W103 HydrophobicContact CG-CE3 3.73Å; Q59-W103 HydrophobicContact CG-CH2 4.07Å; Q59-W103 HydrophobicContact CG-CZ2 4.24Å; Q59-W103 HydrophobicContact CG-CZ3 3.81Å; V62-W103 HydrophobicContact CB-CH2 4.47Å; V62-W103 HydrophobicContact CB-CZ3 4.04Å; V62-W103 HydrophobicContact CG1-CH2 4.13Å; V62-W103 HydrophobicContact CG1-CZ3 3.94Å; L63-W103 HydrophobicContact CD1-CB 4.12Å; L63-W103 HydrophobicContact CD1-CE3 3.81Å; L63-W103 HydrophobicContact CD2-CE3 3.85Å; L63-W103 HydrophobicContact CD2-CZ3 4.25Å; L63-W103 HydrophobicContact CG-CE3 3.64Å; L63-W103 HydrophobicContact CG-CZ3 4.06Å; S99-W103 PolarHBondContact O-N 2.78Å; G100-W103 PolarHBondContact O-N 3.25Å; W103-A105 VanDerWaalsContact C-N 3.29Å; W103-A105 PolarHBondContact O-N 3.29Å; W103-A106 WeakPolarHBondContact O-CB 3.18Å; W103-A106 PolarHBondContact O-N 2.83Å; W103-A106 VanDerWaalsContact O-N 3.13Å; W103-E107 PolarHBondContact NE1-OE1 3.39Å; W103-E107 PolarHBondContact O-N 3.33Å; W103-V136 HydrophobicContact CD2-CG1 4.39Å; W103-V136 HydrophobicContact CH2-CG1 4.03Å; W103-V136 HydrophobicContact CZ2-CG1 3.54Å
104F92.5Very high91.1Very high42 Ų4243.8 Ų43.818%0.18426%0.264CS..Hα-helixtrans-57.8-41.3177.3-179.7-101.8000112.6G100 Q101 E107 C108 V331G100-F104 WeakPolarHBondContact O-CB 3.34Å; G100-F104 PolarHBondContact O-N 3.5Å; Q101-F104 PolarHBondContact O-N 3.47Å; F104-E107 PolarHBondContact O-N 3.14Å; F104-C108 WeakPolarHBondContact CE1-SG 3.42Å; F104-C108 WeakPolarHBondContact CZ-SG 3.43Å; F104-C108 PolarHBondContact O-N 3.19Å; F104-C108 PolarHBondContact O-SG 3.5Å; F104-V331 HydrophobicContact CE1-CG1 4.22Å; F104-V331 HydrophobicContact CE1-CG2 4.2Å
105A93.7Very high91.5Very high7 Ų741.1 Ų41.16%0.05825%0.25CC..Hα-helixtrans-63.5-41.8176.800000112.3Q101 L102 W103 C108 L109 F172 Y176Q101-A105 VanDerWaalsContact O-CB 3.32Å; Q101-A105 WeakPolarHBondContact O-CB 3.49Å; Q101-A105 PolarHBondContact O-N 3.01Å; L102-A105 PolarHBondContact O-N 3.35Å; W103-A105 VanDerWaalsContact C-N 3.29Å; W103-A105 PolarHBondContact O-N 3.29Å; A105-C108 PolarHBondContact O-N 3.27Å; A105-L109 WeakPolarHBondContact O-CB 3.22Å; A105-L109 WeakPolarHBondContact O-CG 3.43Å; A105-L109 PolarHBondContact O-N 2.95Å; A105-F172 HydrophobicContact CB-CE1 4.44Å; A105-F172 HydrophobicContact CB-CZ 4.38Å; A105-Y176 HydrophobicContact CB-CD2 4.23Å; A105-Y176 HydrophobicContact CB-CE1 4.04Å; A105-Y176 HydrophobicContact CB-CE2 3.58Å; A105-Y176 VanDerWaalsContact CB-CZ 3.46Å
106A96.5Very high91.6Very high0 Ų042.8 Ų42.80%027%0.265CS..Hα-helixtrans-61.1-45.517500000111.2L102 W103 C108 L109 A110 L132 S133 F172L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 2.95Å; W103-A106 WeakPolarHBondContact O-CB 3.18Å; W103-A106 PolarHBondContact O-N 2.83Å; W103-A106 VanDerWaalsContact O-N 3.13Å; A106-C108 PolarHBondContact O-N 3.41Å; A106-L109 PolarHBondContact O-N 3.32Å; A106-A110 WeakPolarHBondContact O-CB 3.28Å; A106-A110 PolarHBondContact O-N 3.12Å; A106-L132 HydrophobicContact CB-CD2 3.95Å; A106-L132 HydrophobicContact CB-CG 4.46Å; A106-S133 PolarHBondContact O-OG 2.95Å; A106-F172 HydrophobicContact CB-CD1 4.22Å; A106-F172 HydrophobicContact CB-CE1 3.71Å; A106-F172 HydrophobicContact CB-CE2 4.17Å; A106-F172 HydrophobicContact CB-CZ 3.68Å
107E93.7Very high92.2Very high63 Ų6341.9 Ų41.929%0.29426%0.26SS..Hα-helixtrans-61-43.9176-73.2178.3157.300112.2Q59 W103 F104 A110 A111 S133Q59-E107 PolarHBondContact NE2-OE2 2.84Å; Q59-E107 VanDerWaalsContact NE2-OE2 3.16Å; W103-E107 PolarHBondContact NE1-OE1 3.39Å; W103-E107 PolarHBondContact O-N 3.33Å; F104-E107 PolarHBondContact O-N 3.14Å; E107-A110 PolarHBondContact O-N 2.91Å; E107-A111 VanDerWaalsContact O-CB 3.29Å; E107-A111 WeakPolarHBondContact O-CB 3.4Å; E107-A111 PolarHBondContact O-N 2.9Å; E107-S133 PolarHBondContact N-OG 3.11Å
108C93.2Very high92.6Very high29 Ų2943.4 Ų43.420%0.19626%0.259CS..Hα-helixtrans-61.8-49.7177.4-69.10000112F104 A105 A106 A110 A111 G112 S113F104-C108 WeakPolarHBondContact CE1-SG 3.42Å; F104-C108 WeakPolarHBondContact CZ-SG 3.43Å; F104-C108 PolarHBondContact O-N 3.19Å; F104-C108 PolarHBondContact O-SG 3.5Å; A105-C108 PolarHBondContact O-N 3.27Å; A106-C108 PolarHBondContact O-N 3.41Å; C108-A110 VanDerWaalsContact C-N 3.34Å; C108-A110 PolarHBondContact O-N 3.01Å; C108-A111 PolarHBondContact O-N 3.38Å; C108-G112 PolarHBondContact O-N 3.36Å; C108-S113 VanDerWaalsContact O-CB 3.26Å; C108-S113 WeakPolarHBondContact O-CB 3.43Å; C108-S113 PolarHBondContact O-N 3.44Å; C108-S113 PolarHBondContact O-OG 3.09Å
109L95.6Very high92.6Very high5 Ų547 Ų473%0.02628%0.279CS..Hα-helixtrans-62.5-42.5177.8-77.5167.9000111.1A105 A106 A111 G112 I115 L125 R126 A129 F172 Y176A105-L109 WeakPolarHBondContact O-CB 3.22Å; A105-L109 WeakPolarHBondContact O-CG 3.43Å; A105-L109 PolarHBondContact O-N 2.95Å; A106-L109 PolarHBondContact O-N 3.32Å; L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 3.25Å; L109-G112 PolarHBondContact O-N 3.18Å; L109-I115 HydrophobicContact CD2-CD1 4.48Å; L109-I115 HydrophobicContact CD2-CG1 4.25Å; L109-L125 HydrophobicContact CD1-CB 4.28Å; L109-L125 HydrophobicContact CD1-CD1 4.4Å; L109-R126 WeakPolarHBondContact O-CG 3.43Å; L109-A129 HydrophobicContact CB-CB 3.66Å; L109-A129 HydrophobicContact CD1-CB 4.42Å; L109-F172 HydrophobicContact CD1-CE2 3.91Å; L109-F172 HydrophobicContact CD1-CZ 3.91Å; L109-Y176 HydrophobicContact CD1-CD2 4.02Å; L109-Y176 HydrophobicContact CD1-CE2 4.14Å
110A94.8Very high92.7Very high24 Ų2453.4 Ų53.420%0.19830%0.303CS..Hα-helixtrans-61.8-36.3177.300000112.4A106 E107 C108 G112 A129 K130A106-A110 WeakPolarHBondContact O-CB 3.28Å; A106-A110 PolarHBondContact O-N 3.12Å; E107-A110 PolarHBondContact O-N 2.91Å; C108-A110 VanDerWaalsContact C-N 3.34Å; C108-A110 PolarHBondContact O-N 3.01Å; A110-G112 VanDerWaalsContact C-N 3.25Å; A110-G112 PolarHBondContact O-N 3.42Å; A110-A129 HydrophobicContact CB-CB 4.49Å; A110-K130 HydrophobicContact CB-CB 4.5Å; A110-K130 HydrophobicContact CB-CG 3.82Å; A110-K130 VanDerWaalsContact O-CE 3.31Å; A110-K130 WeakPolarHBondContact O-CE 3.48Å
111A92.7Very high92.8Very high88 Ų8855.7 Ų55.773%0.72731%0.314SS*.THydrogen-bonded Turntrans-74.6-8.9175.300000114.1E107 C108 L109E107-A111 VanDerWaalsContact O-CB 3.29Å; E107-A111 WeakPolarHBondContact O-CB 3.4Å; E107-A111 PolarHBondContact O-N 2.9Å; C108-A111 PolarHBondContact O-N 3.38Å; L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 3.25Å
112G91.9Very high93Very high44 Ų4452.9 Ų52.945%0.45430%0.301SS..THydrogen-bonded Turntrans101.88.3175.900000115.1C108 L109 A110C108-G112 PolarHBondContact O-N 3.36Å; L109-G112 PolarHBondContact O-N 3.18Å; A110-G112 VanDerWaalsContact C-N 3.25Å; A110-G112 PolarHBondContact O-N 3.42Å
113S93.3Very high93Very high62 Ų6256.9 Ų56.943%0.43432%0.322SS..  trans-66.8154.3168-57.70000110.5C108C108-S113 VanDerWaalsContact O-CB 3.26Å; C108-S113 WeakPolarHBondContact O-CB 3.43Å; C108-S113 PolarHBondContact O-N 3.44Å; C108-S113 PolarHBondContact O-OG 3.09Å
114N92.5Very high93Very high75 Ų7559.9 Ų59.940%0.40135%0.348SS..  trans-113.9150.3174-66.1-19.4000110.2D119 R126N114-D119 PolarHBondContact ND2-OD1 3.49Å; N114-R126 PolarHBondContact OD1-NH2 3.4Å
115I90.8Very high93.1Very high18 Ų1858.3 Ų58.39%0.09234%0.342CS..  trans-69.6133.9165.4-61164.1000107.3L109 D117 R118 S122 L125 Y176 T179 M180L109-I115 HydrophobicContact CD2-CD1 4.48Å; L109-I115 HydrophobicContact CD2-CG1 4.25Å; I115-D117 PolarHBondContact O-N 3.13Å; I115-R118 HydrophobicContact CB-CB 4.08Å; I115-R118 HydrophobicContact CG2-CB 3.98Å; I115-R118 HydrophobicContact CG2-CG 4.28Å; I115-R118 PolarHBondContact O-N 3.39Å; I115-R118 VanDerWaalsContact O-N 3.08Å; I115-S122 WeakPolarHBondContact CB-OG 2.99Å; I115-S122 PolarHBondContact N-OG 3.02Å; I115-L125 HydrophobicContact CD1-CD1 3.91Å; I115-Y176 HydrophobicContact CD1-CD2 4.13Å; I115-Y176 HydrophobicContact CD1-CE2 3.84Å; I115-Y176 HydrophobicContact CG1-CE2 4.24Å; I115-T179 HydrophobicContact CD1-CG2 3.71Å; I115-M180 HydrophobicContact CB-SD 4.46Å; I115-M180 HydrophobicContact CD1-SD 4.12Å; I115-M180 HydrophobicContact CG1-SD 4.21Å; I115-M180 HydrophobicContact CG2-CE 4.49Å; I115-M180 HydrophobicContact CG2-SD 3.42Å; I115-M180 WeakPolarHBondContact CG2-SD 3.38Å
116V87.7Confident93.3Very high113 Ų11360 Ų6069%0.68535%0.347SS*.THydrogen-bonded Turntrans-53.1128.8-178.7-178.20000110R118V116-R118 PolarHBondContact O-N 3.41Å; V116-R118 VanDerWaalsContact O-N 3.12Å
117D90.2Very high93.3Very high153 Ų15364.2 Ų64.282%0.81837%0.374SS*.THydrogen-bonded Turntrans57.219.9180-53.1-38.8000115.8I115I115-D117 PolarHBondContact O-N 3.13Å
118R91.5Very high93.5Very high79 Ų7962.2 Ų62.230%0.29837%0.365SS..  trans-136.849.3-176.5-62.4-176.2-174.9-107.217.7111.9I115 V116 F120 E121 S122 T179 M180I115-R118 HydrophobicContact CB-CB 4.08Å; I115-R118 HydrophobicContact CG2-CB 3.98Å; I115-R118 HydrophobicContact CG2-CG 4.28Å; I115-R118 PolarHBondContact O-N 3.39Å; I115-R118 VanDerWaalsContact O-N 3.08Å; V116-R118 PolarHBondContact O-N 3.41Å; V116-R118 VanDerWaalsContact O-N 3.12Å; R118-F120 PolarHBondContact O-N 2.73Å; R118-E121 WeakPolarHBondContact CA-OE2 3.33Å; R118-E121 HydrophobicContact CB-CB 4.37Å; R118-E121 PolarHBondContact O-N 2.83Å; R118-S122 VanDerWaalsContact O-CB 3.29Å; R118-S122 WeakPolarHBondContact O-CB 3.31Å; R118-S122 PolarHBondContact O-N 3.45Å; R118-S122 PolarHBondContact O-OG 3.4Å; R118-T179 HydrophobicContact CB-CG2 4.38Å; R118-T179 WeakPolarHBondContact CD-O 3.43Å; R118-T179 PolarHBondContact NE-O 3.45Å; R118-T179 PolarHBondContact NH1-O 3.19Å; R118-T179 PolarHBondContact NH2-O 3.49Å; R118-M180 PolarHBondContact NH2-O 3.24Å
119D91.2Very high93.7Very high91 Ų9160.9 Ų60.949%0.48736%0.356SS..Hα-helixtrans-61.4-42.8-176-66-69.9000112.7N114 S122 D123N114-D119 PolarHBondContact ND2-OD1 3.49Å; D119-S122 WeakPolarHBondContact O-CB 3.41Å; D119-S122 PolarHBondContact O-N 2.82Å; D119-D123 WeakPolarHBondContact O-CB 3.32Å; D119-D123 PolarHBondContact O-N 3.16Å
120F93.2Very high93.8Very high164 Ų16465.9 Ų65.972%0.71938%0.378SS*.Hα-helixtrans-66-43.7-178.7-180-96000111.8R118 D123 A124R118-F120 PolarHBondContact O-N 2.73Å; F120-D123 WeakPolarHBondContact O-CB 3.38Å; F120-D123 PolarHBondContact O-N 3.5Å; F120-A124 PolarHBondContact O-N 3.34Å
121E93.3Very high94Very high48 Ų4866.4 Ų66.422%0.22438%0.38CS..Hα-helixtrans-67.5-37.9175.9-62.981.7174.900111.2R118 D123 A124 L125 T179R118-E121 WeakPolarHBondContact CA-OE2 3.33Å; R118-E121 HydrophobicContact CB-CB 4.37Å; R118-E121 PolarHBondContact O-N 2.83Å; E121-D123 VanDerWaalsContact C-N 3.32Å; E121-D123 PolarHBondContact O-N 3.19Å; E121-A124 PolarHBondContact O-N 2.85Å; E121-L125 WeakPolarHBondContact O-CB 3.49Å; E121-L125 WeakPolarHBondContact O-CG 3.43Å; E121-L125 PolarHBondContact O-N 2.9Å; E121-T179 HydrophobicContact CB-CG2 3.49Å; E121-T179 VanDerWaalsContact CB-CG2 3.49Å; E121-T179 HydrophobicContact CG-CG2 4.12Å
122S94.3Very high94.2Very high0 Ų062.3 Ų62.30%035%0.345CS..Hα-helixtrans-60.5-42.5172.6-59.30000111.5I115 R118 D119 L125 R126I115-S122 WeakPolarHBondContact CB-OG 2.99Å; I115-S122 PolarHBondContact N-OG 3.02Å; R118-S122 VanDerWaalsContact O-CB 3.29Å; R118-S122 WeakPolarHBondContact O-CB 3.31Å; R118-S122 PolarHBondContact O-N 3.45Å; R118-S122 PolarHBondContact O-OG 3.4Å; D119-S122 WeakPolarHBondContact O-CB 3.41Å; D119-S122 PolarHBondContact O-N 2.82Å; S122-L125 PolarHBondContact O-N 3.3Å; S122-R126 WeakPolarHBondContact O-CB 3.37Å; S122-R126 PolarHBondContact O-N 3.32Å
123D94.6Very high94.4Very high84 Ų8460.9 Ų60.945%0.44933%0.329SS..Hα-helixtrans-62.3-42175.7-76.5-14.3000112.2D119 F120 E121 R126 P127D119-D123 WeakPolarHBondContact O-CB 3.32Å; D119-D123 PolarHBondContact O-N 3.16Å; F120-D123 WeakPolarHBondContact O-CB 3.38Å; F120-D123 PolarHBondContact O-N 3.5Å; E121-D123 VanDerWaalsContact C-N 3.32Å; E121-D123 PolarHBondContact O-N 3.19Å; D123-R126 IonicContact OD1-CZ 3.8Å; D123-R126 IonicContact OD1-NH1 2.75Å; D123-R126 PolarHBondContact OD1-NH1 3.49Å; D123-R126 IonicContact OD1-NH2 3.82Å; D123-R126 PolarHBondContact OD1-NH2 3.41Å; D123-P127 WeakPolarHBondContact O-CD 3.48Å
124A95.3Very high94.6Very high69 Ų6965.3 Ų65.357%0.5734%0.336SS*.Hα-helixtrans-67.2-37.3176.600000112.9F120 E121 P127F120-A124 PolarHBondContact O-N 3.34Å; E121-A124 PolarHBondContact O-N 2.85Å; A124-P127 WeakPolarHBondContact O-CD 3.32Å
125L95.8Very high94.9Very high8 Ų862.7 Ų62.74%0.04232%0.321CS..Hα-helixtrans-74.3-26.3178.3-81.5170.4000113.8L109 I115 E121 S122 L128 A129 N175 Y176 T179L109-L125 HydrophobicContact CD1-CB 4.28Å; L109-L125 HydrophobicContact CD1-CD1 4.4Å; I115-L125 HydrophobicContact CD1-CD1 3.91Å; E121-L125 WeakPolarHBondContact O-CB 3.49Å; E121-L125 WeakPolarHBondContact O-CG 3.43Å; E121-L125 PolarHBondContact O-N 2.9Å; S122-L125 PolarHBondContact O-N 3.3Å; L125-L128 WeakPolarHBondContact O-CB 3.05Å; L125-L128 PolarHBondContact O-N 3.03Å; L125-L128 VanDerWaalsContact O-N 3.1Å; L125-A129 PolarHBondContact O-N 3.33Å; L125-N175 HydrophobicContact CD2-CB 3.4Å; L125-Y176 HydrophobicContact CD1-CD2 4.41Å; L125-T179 HydrophobicContact CD1-CG2 4.15Å
126R96.7Very high95.1Very high43 Ų4362 Ų6216%0.16232%0.318CS..Hα-helixtrans-58.2-40.7-169.9-164.4170.8-55.5106.8-4.2115.2L109 N114 S122 D123 L128 A129 K130L109-R126 WeakPolarHBondContact O-CG 3.43Å; N114-R126 PolarHBondContact OD1-NH2 3.4Å; S122-R126 WeakPolarHBondContact O-CB 3.37Å; S122-R126 PolarHBondContact O-N 3.32Å; D123-R126 IonicContact OD1-CZ 3.8Å; D123-R126 IonicContact OD1-NH1 2.75Å; D123-R126 PolarHBondContact OD1-NH1 3.49Å; D123-R126 IonicContact OD1-NH2 3.82Å; D123-R126 PolarHBondContact OD1-NH2 3.41Å; R126-L128 VanDerWaalsContact C-N 3.31Å; R126-L128 PolarHBondContact O-N 3.35Å; R126-A129 PolarHBondContact O-N 3.11Å; R126-K130 HydrophobicContact CG-CD 4.36Å; R126-K130 HydrophobicContact CG-CG 4.47Å; R126-K130 WeakPolarHBondContact O-CB 3.23Å; R126-K130 WeakPolarHBondContact O-CG 3.2Å; R126-K130 PolarHBondContact O-N 3Å
127P97.4Very high95.4Very high89 Ų8960.4 Ų60.458%0.57831%0.305SS*.Hα-helixtrans-59.4-42175.5-24.235.4000112.5D123 A124 K130 S131D123-P127 WeakPolarHBondContact O-CD 3.48Å; A124-P127 WeakPolarHBondContact O-CD 3.32Å; P127-K130 PolarHBondContact O-N 3.34Å; P127-S131 WeakPolarHBondContact O-CB 3.29Å; P127-S131 PolarHBondContact O-N 3.02Å
128L97.7Very high95.7Very high21 Ų2157.7 Ų57.711%0.1129%0.288CS..Hα-helixtrans-67.7-45.8178-178.658.6000111L125 R126 K130 S131 L132 L168 E171 F172L125-L128 WeakPolarHBondContact O-CB 3.05Å; L125-L128 PolarHBondContact O-N 3.03Å; L125-L128 VanDerWaalsContact O-N 3.1Å; R126-L128 VanDerWaalsContact C-N 3.31Å; R126-L128 PolarHBondContact O-N 3.35Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 3.09Å; L128-S131 WeakPolarHBondContact O-CB 3.47Å; L128-S131 PolarHBondContact O-N 3.42Å; L128-S131 VanDerWaalsContact O-N 3.15Å; L128-L132 WeakPolarHBondContact O-CB 3.5Å; L128-L132 PolarHBondContact O-N 2.67Å; L128-L168 HydrophobicContact CD1-CD2 3.98Å; L128-E171 HydrophobicContact CD1-CB 4.32Å; L128-E171 HydrophobicContact CD1-CG 4.19Å; L128-E171 HydrophobicContact CD2-CB 4.23Å; L128-E171 HydrophobicContact CD2-CG 3.76Å; L128-F172 HydrophobicContact CD2-CB 4.1Å; L128-F172 HydrophobicContact CD2-CD2 4.33Å; L128-F172 HydrophobicContact CG-CB 4.13Å; L128-F172 HydrophobicContact CG-CD2 4.16Å
129A97.7Very high96Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-55.6-47174.300000112.1L109 A110 L125 R126 S131 L132 S133 F172L109-A129 HydrophobicContact CB-CB 3.66Å; L109-A129 HydrophobicContact CD1-CB 4.42Å; A110-A129 HydrophobicContact CB-CB 4.49Å; L125-A129 PolarHBondContact O-N 3.33Å; R126-A129 PolarHBondContact O-N 3.11Å; A129-S131 PolarHBondContact O-N 3.06Å; A129-L132 PolarHBondContact O-N 3.5Å; A129-S133 WeakPolarHBondContact O-CB 3.24Å; A129-S133 PolarHBondContact O-N 3.41Å; A129-S133 PolarHBondContact O-OG 3.1Å; A129-S133 VanDerWaalsContact O-OG 3.12Å; A129-F172 HydrophobicContact CB-CD2 4.38Å; A129-F172 HydrophobicContact CB-CE2 3.8Å
130K97.7Very high96.3Very high111 Ų11150.9 Ų50.948%0.48326%0.255SS..Hα-helixtrans-62.7-40.2176.3-74.7179.2176.9179.60112.7A110 R126 P127 L128 R134A110-K130 HydrophobicContact CB-CB 4.5Å; A110-K130 HydrophobicContact CB-CG 3.82Å; A110-K130 VanDerWaalsContact O-CE 3.31Å; A110-K130 WeakPolarHBondContact O-CE 3.48Å; R126-K130 HydrophobicContact CG-CD 4.36Å; R126-K130 HydrophobicContact CG-CG 4.47Å; R126-K130 WeakPolarHBondContact O-CB 3.23Å; R126-K130 WeakPolarHBondContact O-CG 3.2Å; R126-K130 PolarHBondContact O-N 3Å; P127-K130 PolarHBondContact O-N 3.34Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 3.09Å; K130-R134 WeakPolarHBondContact O-CB 3.48Å; K130-R134 PolarHBondContact O-N 2.76Å; K130-R134 VanDerWaalsContact O-N 3.13Å
131S97.8Very high96.4Very high34 Ų3448 Ų4824%0.23825%0.248CC..Hα-helixtrans-63.9-47.6177.1-1670000110.9P127 L128 A129 H135P127-S131 WeakPolarHBondContact O-CB 3.29Å; P127-S131 PolarHBondContact O-N 3.02Å; L128-S131 WeakPolarHBondContact O-CB 3.47Å; L128-S131 PolarHBondContact O-N 3.42Å; L128-S131 VanDerWaalsContact O-N 3.15Å; A129-S131 PolarHBondContact O-N 3.06Å; S131-H135 VanDerWaalsContact O-CB 3.29Å; S131-H135 WeakPolarHBondContact O-CB 3.37Å; S131-H135 PolarHBondContact O-N 2.83Å
132L98Very high96.5Very high2 Ų248.6 Ų48.61%0.0125%0.251CS..Hα-helixtrans-62-52.7178.4177.858.8000111.6A106 L128 A129 R134 H135 V136 F165 L168 F169 F172A106-L132 HydrophobicContact CB-CD2 3.95Å; A106-L132 HydrophobicContact CB-CG 4.46Å; L128-L132 WeakPolarHBondContact O-CB 3.5Å; L128-L132 PolarHBondContact O-N 2.67Å; A129-L132 PolarHBondContact O-N 3.5Å; L132-R134 PolarHBondContact O-N 2.85Å; L132-H135 PolarHBondContact O-N 2.9Å; L132-H135 VanDerWaalsContact O-N 3.14Å; L132-V136 HydrophobicContact CD1-CG2 4Å; L132-V136 HydrophobicContact CG-CG2 4.43Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 2.69Å; L132-F165 HydrophobicContact CD1-CD2 4.19Å; L132-F165 HydrophobicContact CD1-CE2 4.2Å; L132-L168 HydrophobicContact CD1-CB 3.97Å; L132-F169 HydrophobicContact CD1-CB 4.21Å; L132-F169 HydrophobicContact CD1-CD2 4.15Å; L132-F169 HydrophobicContact CD2-CD2 4.12Å; L132-F172 HydrophobicContact CD2-CB 3.65Å; L132-F172 HydrophobicContact CD2-CD1 3.72Å; L132-F172 HydrophobicContact CD2-CD2 4.5Å; L132-F172 HydrophobicContact CD2-CG 3.68Å
133S95.8Very high96.6Very high15 Ų1548.6 Ų48.611%0.10525%0.251CS..Hα-helixtrans-58.2-46.3-179.4-620000112.1A106 E107 A129 H135 V136 D137A106-S133 PolarHBondContact O-OG 2.95Å; E107-S133 PolarHBondContact N-OG 3.11Å; A129-S133 WeakPolarHBondContact O-CB 3.24Å; A129-S133 PolarHBondContact O-N 3.41Å; A129-S133 PolarHBondContact O-OG 3.1Å; A129-S133 VanDerWaalsContact O-OG 3.12Å; S133-H135 VanDerWaalsContact C-N 3.33Å; S133-H135 PolarHBondContact O-N 3.48Å; S133-V136 PolarHBondContact O-N 3.48Å; S133-D137 PolarHBondContact O-N 2.68Å
134R97Very high96.5Very high154 Ų15447.4 Ų47.458%0.58124%0.242SC*.Hα-helixtrans-60.2-44176.1177.9-17659.9-178-3111.7K130 L132 D137 E138K130-R134 WeakPolarHBondContact O-CB 3.48Å; K130-R134 PolarHBondContact O-N 2.76Å; K130-R134 VanDerWaalsContact O-N 3.13Å; L132-R134 PolarHBondContact O-N 2.85Å; R134-D137 PolarHBondContact O-N 2.98Å; R134-E138 WeakPolarHBondContact CG-OE1 3.39Å; R134-E138 WeakPolarHBondContact O-CG 3.34Å; R134-E138 PolarHBondContact O-N 3.25Å
135H98.2Very high96.4Very high20 Ų2048.9 Ų48.99%0.09324%0.239CC..Hα-helixtrans-69.6-34.7-177.6-170.377.8000112.3S131 L132 S133 D137 E138 L139 A161 V164 F165 L168S131-H135 VanDerWaalsContact O-CB 3.29Å; S131-H135 WeakPolarHBondContact O-CB 3.37Å; S131-H135 PolarHBondContact O-N 2.83Å; L132-H135 PolarHBondContact O-N 2.9Å; L132-H135 VanDerWaalsContact O-N 3.14Å; S133-H135 VanDerWaalsContact C-N 3.33Å; S133-H135 PolarHBondContact O-N 3.48Å; H135-D137 VanDerWaalsContact C-N 3.35Å; H135-E138 PolarHBondContact O-N 3.26Å; H135-L139 WeakPolarHBondContact O-CB 3.29Å; H135-L139 PolarHBondContact O-N 3.42Å; H135-A161 PolarHBondContact NE2-O 3.46Å; H135-V164 VanDerWaalsContact CE1-CG1 3.44Å; H135-V164 WeakPolarHBondContact CE1-CG1 3.4Å; H135-F165 VanDerWaalsContact CD2-CA 3.49Å; H135-F165 WeakPolarHBondContact CD2-CA 3.26Å; H135-F165 PolarHBondContact NE2-N 3.08Å; H135-F165 VanDerWaalsContact NE2-N 3.19Å; H135-L168 HydrophobicContact CB-CD1 3.85Å
136V96.4Very high96.2Very high3 Ų349.2 Ų49.22%0.01824%0.241CC..Hα-helixtrans-59.5-45.7171.9169.10000110.6W103 L132 S133 L139 R140 F165W103-V136 HydrophobicContact CD2-CG1 4.39Å; W103-V136 HydrophobicContact CH2-CG1 4.03Å; W103-V136 HydrophobicContact CZ2-CG1 3.54Å; L132-V136 HydrophobicContact CD1-CG2 4Å; L132-V136 HydrophobicContact CG-CG2 4.43Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 2.69Å; S133-V136 PolarHBondContact O-N 3.48Å; V136-L139 PolarHBondContact O-N 3.42Å; V136-R140 HydrophobicContact CG1-CG 4.38Å; V136-R140 WeakPolarHBondContact O-CB 3.34Å; V136-R140 WeakPolarHBondContact O-CG 3.47Å; V136-R140 PolarHBondContact O-N 3.31Å; V136-F165 HydrophobicContact CG2-CD2 3.84Å; V136-F165 HydrophobicContact CG2-CE2 3.66Å
137D94.3Very high95.9Very high80 Ų8047.2 Ų47.243%0.42823%0.234SC..Hα-helixtrans-63-47.1177.4-72.9-26.7000112.2S133 R134 H135 L139 R140 D141S133-D137 PolarHBondContact O-N 2.68Å; R134-D137 PolarHBondContact O-N 2.98Å; H135-D137 VanDerWaalsContact C-N 3.35Å; D137-L139 PolarHBondContact O-N 3.19Å; D137-R140 PolarHBondContact O-N 3.45Å; D137-R140 IonicContact OD1-NH1 3.91Å; D137-D141 PolarHBondContact O-N 3.3Å; D137-D141 VanDerWaalsContact O-N 3.08Å
138E96.6Very high95.5Very high96 Ų9644.3 Ų44.345%0.44921%0.213SC..Hα-helixtrans-61.2-42.1177-71.1177-167.200112.2R134 H135 D141 M142R134-E138 WeakPolarHBondContact CG-OE1 3.39Å; R134-E138 WeakPolarHBondContact O-CG 3.34Å; R134-E138 PolarHBondContact O-N 3.25Å; H135-E138 PolarHBondContact O-N 3.26Å; E138-D141 PolarHBondContact O-N 3.31Å; E138-M142 HydrophobicContact CB-CE 4.43Å; E138-M142 WeakPolarHBondContact O-CE 3.25Å; E138-M142 WeakPolarHBondContact O-CG 3.48Å; E138-M142 PolarHBondContact O-N 3.33Å
139L97.6Very high95Very high0 Ų050.8 Ų50.80%024%0.24CC..Hα-helixtrans-64.2-44.6177.4177.361.5000111.1I66 H135 V136 D137 D141 M142 L143 A161 L162 F165I66-L139 HydrophobicContact CD1-CD2 4.16Å; I66-L139 HydrophobicContact CG2-CD2 4.43Å; H135-L139 WeakPolarHBondContact O-CB 3.29Å; H135-L139 PolarHBondContact O-N 3.42Å; V136-L139 PolarHBondContact O-N 3.42Å; D137-L139 PolarHBondContact O-N 3.19Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 3.34Å; L139-M142 PolarHBondContact O-N 2.93Å; L139-L143 HydrophobicContact CD1-CD1 3.9Å; L139-L143 HydrophobicContact CD1-CD2 4.45Å; L139-L143 HydrophobicContact CD1-CG 3.9Å; L139-L143 HydrophobicContact CD2-CD1 4.44Å; L139-L143 HydrophobicContact CG-CD1 3.84Å; L139-L143 HydrophobicContact CG-CG 4.26Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.03Å; L139-A161 HydrophobicContact CD1-CB 3.93Å; L139-L162 HydrophobicContact CD1-CD2 3.98Å; L139-L162 HydrophobicContact CD1-CG 4.14Å; L139-L162 HydrophobicContact CD2-CD2 4.08Å; L139-F165 HydrophobicContact CD2-CB 3.63Å; L139-F165 HydrophobicContact CD2-CD1 4.19Å; L139-F165 HydrophobicContact CD2-CD2 4.18Å; L139-F165 HydrophobicContact CD2-CG 3.72Å
140R97.1Very high94.3Very high27 Ų2754.2 Ų54.210%0.10226%0.258CS..Hα-helixtrans-60.2-43.8178.5-73.4170.262.9-153.1-2.3111.7F22 D26 N30 V136 D137 L143 K144F22-R140 HydrophobicContact CZ-CB 4.07Å; F22-R140 HydrophobicContact CZ-CG 3.98Å; D26-R140 IonicContact OD1-CZ 3.65Å; D26-R140 IonicContact OD1-NE 3.66Å; D26-R140 PolarHBondContact OD1-NE 3.06Å; D26-R140 IonicContact OD1-NH2 2.57Å; D26-R140 PolarHBondContact OD1-NH2 2.69Å; N30-R140 PolarHBondContact OD1-NH2 3Å; N30-R140 VanDerWaalsContact OD1-NH2 3.09Å; V136-R140 HydrophobicContact CG1-CG 4.38Å; V136-R140 WeakPolarHBondContact O-CB 3.34Å; V136-R140 WeakPolarHBondContact O-CG 3.47Å; V136-R140 PolarHBondContact O-N 3.31Å; D137-R140 PolarHBondContact O-N 3.45Å; D137-R140 IonicContact OD1-NH1 3.91Å; R140-L143 PolarHBondContact O-N 3.09Å; R140-K144 VanDerWaalsContact O-CB 3.25Å; R140-K144 WeakPolarHBondContact O-CB 3.46Å; R140-K144 PolarHBondContact O-N 3.24Å
141D94.7Very high93.5Very high104 Ų10450.1 Ų50.156%0.55624%0.243SC*.Hα-helixtrans-62.1-43.3175.3-86.2-15.4000112.1D137 E138 L139 L145D137-D141 PolarHBondContact O-N 3.3Å; D137-D141 VanDerWaalsContact O-N 3.08Å; E138-D141 PolarHBondContact O-N 3.31Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 3.34Å; D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 VanDerWaalsContact O-CG 3.26Å; D141-L145 WeakPolarHBondContact O-CG 3.42Å; D141-L145 PolarHBondContact O-N 3.03Å
142M96Very high92.7Very high61 Ų6153.1 Ų53.130%0.326%0.264SS..Hα-helixtrans-62.5-47.5176.8-79.7-171.9-78.200112.5E138 L139 L145 Q146 A161E138-M142 HydrophobicContact CB-CE 4.43Å; E138-M142 WeakPolarHBondContact O-CE 3.25Å; E138-M142 WeakPolarHBondContact O-CG 3.48Å; E138-M142 PolarHBondContact O-N 3.33Å; L139-M142 PolarHBondContact O-N 2.93Å; M142-L145 PolarHBondContact O-N 3.28Å; M142-Q146 WeakPolarHBondContact O-CB 3.3Å; M142-Q146 PolarHBondContact O-N 3.18Å; M142-A161 HydrophobicContact CE-CB 3.4Å; M142-A161 HydrophobicContact SD-CB 4.16Å
143L96Very high92.2Very high0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-65.1-41.2179.9-69.6174.8000111.6L19 F22 I66 M69 L139 R140 Q146 S147 V158 L162L19-L143 HydrophobicContact CD2-CB 4.39Å; L19-L143 HydrophobicContact CD2-CD2 3.86Å; F22-L143 HydrophobicContact CD1-CB 3.6Å; F22-L143 HydrophobicContact CD2-CB 4.37Å; F22-L143 HydrophobicContact CD2-CD1 3.82Å; F22-L143 HydrophobicContact CE1-CB 3.39Å; F22-L143 HydrophobicContact CE1-CD1 4.33Å; F22-L143 HydrophobicContact CE2-CB 4.16Å; F22-L143 HydrophobicContact CE2-CD1 3.52Å; F22-L143 HydrophobicContact CG-CB 4.13Å; F22-L143 HydrophobicContact CG-CD1 4.34Å; F22-L143 HydrophobicContact CZ-CB 3.72Å; F22-L143 HydrophobicContact CZ-CD1 3.84Å; F22-L143 HydrophobicContact CZ-CG 4.43Å; I66-L143 HydrophobicContact CG1-CD1 4.11Å; M69-L143 HydrophobicContact CE-CD2 4.26Å; M69-L143 HydrophobicContact SD-CD1 4.01Å; M69-L143 HydrophobicContact SD-CD2 3.73Å; L139-L143 HydrophobicContact CD1-CD1 3.9Å; L139-L143 HydrophobicContact CD1-CD2 4.45Å; L139-L143 HydrophobicContact CD1-CG 3.9Å; L139-L143 HydrophobicContact CD2-CD1 4.44Å; L139-L143 HydrophobicContact CG-CD1 3.84Å; L139-L143 HydrophobicContact CG-CG 4.26Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.03Å; R140-L143 PolarHBondContact O-N 3.09Å; L143-Q146 PolarHBondContact O-N 3.25Å; L143-S147 PolarHBondContact O-N 3.48Å; L143-S147 PolarHBondContact O-OG 3.33Å; L143-V158 HydrophobicContact CD2-CG1 3.57Å; L143-L162 HydrophobicContact CD1-CD2 4.4Å
144K93.1Very high92.1Very high59 Ų5956.9 Ų56.926%0.25728%0.284SS..Hα-helixtrans-63.9-42.2175-173-176.5-160145.70112.7F22 F23 D26 N30 R140 Q146 S147 L148F22-K144 HydrophobicContact CE1-CB 4.35Å; F23-K144 HydrophobicContact CD2-CG 4.4Å; D26-K144 WeakPolarHBondContact OD2-CD 3.34Å; D26-K144 WeakPolarHBondContact OD2-CE 3.48Å; D26-K144 IonicContact OD2-NZ 3.48Å; D26-K144 PolarHBondContact OD2-NZ 3.14Å; N30-K144 PolarHBondContact ND2-NZ 3.47Å; R140-K144 VanDerWaalsContact O-CB 3.25Å; R140-K144 WeakPolarHBondContact O-CB 3.46Å; R140-K144 PolarHBondContact O-N 3.24Å; K144-Q146 VanDerWaalsContact C-N 3.29Å; K144-Q146 PolarHBondContact O-N 2.99Å; K144-S147 PolarHBondContact O-OG 3.01Å; K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 3.15Å
145L92.4Very high92Very high99 Ų9951.9 Ų51.952%0.51827%0.272SS..Hα-helixtrans-67.1-33.5175.6-74.2172.5000111.8D141 M142 K149D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 VanDerWaalsContact O-CG 3.26Å; D141-L145 WeakPolarHBondContact O-CG 3.42Å; D141-L145 PolarHBondContact O-N 3.03Å; M142-L145 PolarHBondContact O-N 3.28Å; L145-K149 WeakPolarHBondContact O-CG 3.24Å; L145-K149 PolarHBondContact O-N 3.09Å
146Q93.1Very high91.8Very high16 Ų1656.4 Ų56.48%0.07529%0.293CS..Hα-helixtrans-73.5-40.4178.7-173.95626.100112.3L19 M142 L143 K144 L148 K149 N150 V153 P155L19-Q146 HydrophobicContact CD1-CG 3.87Å; L19-Q146 HydrophobicContact CD2-CB 4.24Å; L19-Q146 HydrophobicContact CD2-CG 4.3Å; M142-Q146 WeakPolarHBondContact O-CB 3.3Å; M142-Q146 PolarHBondContact O-N 3.18Å; L143-Q146 PolarHBondContact O-N 3.25Å; K144-Q146 VanDerWaalsContact C-N 3.29Å; K144-Q146 PolarHBondContact O-N 2.99Å; Q146-L148 VanDerWaalsContact C-N 3.26Å; Q146-L148 PolarHBondContact O-N 2.88Å; Q146-K149 PolarHBondContact O-N 3.06Å; Q146-N150 PolarHBondContact NE2-O 2.86Å; Q146-N150 CarbonylContact O-C 3.2Å; Q146-N150 PolarHBondContact O-N 2.95Å; Q146-V153 PolarHBondContact NE2-O 2.95Å; Q146-P155 VanDerWaalsContact CD-CD 3.49Å
147S90.5Very high91.8Very high1 Ų164.4 Ų64.41%0.00733%0.327CS..Hα-helixtrans-62.8-32175.661.90000112.8L19 L143 K144 K149L19-S147 WeakPolarHBondContact O-CB 3.41Å; L143-S147 PolarHBondContact O-N 3.48Å; L143-S147 PolarHBondContact O-OG 3.33Å; K144-S147 PolarHBondContact O-OG 3.01Å; S147-K149 VanDerWaalsContact C-N 3.31Å; S147-K149 PolarHBondContact O-N 3.48Å
148L88.4Confident91.9Very high27 Ų2761 Ų6114%0.14131%0.309CS..THydrogen-bonded Turntrans-77.7-6.9171.9-69.6174.9000114.5C9 F23 K144 Q146C9-L148 WeakPolarHBondContact CB-O 3.38Å; C9-L148 WeakPolarHBondContact O-CD2 3.49Å; F23-L148 HydrophobicContact CD2-CD2 4.12Å; F23-L148 HydrophobicContact CD2-CG 4.18Å; F23-L148 HydrophobicContact CE2-CD1 4.24Å; F23-L148 HydrophobicContact CE2-CD2 3.55Å; F23-L148 HydrophobicContact CE2-CG 3.87Å; F23-L148 HydrophobicContact CZ-CD2 4.21Å; K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 3.15Å; Q146-L148 VanDerWaalsContact C-N 3.26Å; Q146-L148 PolarHBondContact O-N 2.88Å
149K86.9Confident91.9Very high158 Ų15859 Ų5969%0.68730%0.299SS*.THydrogen-bonded Turntrans-103.6-64.5178.5-76.8174.5-176.3174.40111.4L145 Q146 S147L145-K149 WeakPolarHBondContact O-CG 3.24Å; L145-K149 PolarHBondContact O-N 3.09Å; Q146-K149 PolarHBondContact O-N 3.06Å; S147-K149 VanDerWaalsContact C-N 3.31Å; S147-K149 PolarHBondContact O-N 3.48Å
150N83.5Confident91.9Very high71 Ų7163.3 Ų63.338%0.3832%0.322SS..  trans-154.4101.6178.3-173.8-15000108.6Q146 S152 V153Q146-N150 PolarHBondContact NE2-O 2.86Å; Q146-N150 CarbonylContact O-C 3.2Å; Q146-N150 PolarHBondContact O-N 2.95Å; N150-S152 PolarHBondContact O-N 2.87Å; N150-S152 VanDerWaalsContact O-N 3.15Å; N150-S152 WeakPolarHBondContact OD1-CB 3.29Å; N150-S152 PolarHBondContact OD1-N 3.23Å; N150-S152 VanDerWaalsContact OD1-N 3.08Å; N150-V153 PolarHBondContact O-N 3.33Å
151P80.6Confident92Very high26 Ų2662.4 Ų62.417%0.16932%0.321CS..THydrogen-bonded Turntrans-68-9.7-17728.1-34.4000113.7D15 L19D15-P151 WeakPolarHBondContact OD2-CG 3.42Å; L19-P151 HydrophobicContact CB-CB 4.08Å; L19-P151 WeakPolarHBondContact CD1-O 3.5Å
152S80.7Confident92.1Very high96 Ų9657.5 Ų57.567%0.67129%0.294SS*.THydrogen-bonded Turntrans-93.1-2.7179.4-46.90000114.2N150N150-S152 PolarHBondContact O-N 2.87Å; N150-S152 VanDerWaalsContact O-N 3.15Å; N150-S152 WeakPolarHBondContact OD1-CB 3.29Å; N150-S152 PolarHBondContact OD1-N 3.23Å; N150-S152 VanDerWaalsContact OD1-N 3.08Å
153V87.5Confident92.2Very high73 Ų7356.4 Ų56.444%0.44229%0.289SS..  trans-129136.8-174178.80000111Q146 N150Q146-V153 PolarHBondContact NE2-O 2.95Å; N150-V153 PolarHBondContact O-N 3.33Å
154Y92.9Very high92.3Very high23 Ų2359.8 Ų59.89%0.0931%0.31CS..  trans-113.3105.5174-67.1-97.6000110.4L19 M69 Y72 L73 V158 K159L19-Y154 HydrophobicContact CD1-CD1 4.07Å; L19-Y154 HydrophobicContact CD1-CD2 4.35Å; L19-Y154 HydrophobicContact CD1-CE1 3.66Å; L19-Y154 HydrophobicContact CD1-CE2 3.96Å; L19-Y154 HydrophobicContact CD1-CG 4.41Å; L19-Y154 HydrophobicContact CD2-CE1 4.11Å; L19-Y154 HydrophobicContact CG-CD1 4.48Å; L19-Y154 HydrophobicContact CG-CE1 3.66Å; L19-Y154 HydrophobicContact CG-CE2 4.44Å; M69-Y154 HydrophobicContact CG-CE1 4.22Å; M69-Y154 HydrophobicContact SD-CE1 4.17Å; Y72-Y154 HydrophobicContact CD1-CE2 4.44Å; Y72-Y154 HydrophobicContact CE1-CE2 4.28Å; L73-Y154 HydrophobicContact CD1-CD1 3.64Å; L73-Y154 HydrophobicContact CD1-CD2 4.44Å; L73-Y154 HydrophobicContact CD1-CE1 3.94Å; L73-Y154 HydrophobicContact CD1-CG 3.9Å; L73-Y154 HydrophobicContact CD2-CD1 4.41Å; L73-Y154 HydrophobicContact CD2-CD2 3.76Å; L73-Y154 HydrophobicContact CD2-CE2 4.26Å; L73-Y154 HydrophobicContact CD2-CG 3.83Å; L73-Y154 HydrophobicContact CG-CG 4.45Å; Y154-V158 HydrophobicContact CD1-CG1 4.1Å; Y154-K159 WeakPolarHBondContact O-CE 3.5Å
155P94.7Very high92.5Very high50 Ų5057.4 Ų57.433%0.32530%0.3SS..  trans-60.7150172.5-2132000111.6Q146 K157 V158 K159Q146-P155 VanDerWaalsContact CD-CD 3.49Å; P155-K157 PolarHBondContact O-N 3.37Å; P155-K157 VanDerWaalsContact O-N 3.08Å; P155-V158 HydrophobicContact CB-CG2 4.45Å; P155-V158 HydrophobicContact CG-CG2 4.3Å; P155-V158 WeakPolarHBondContact O-CA 3.13Å; P155-V158 WeakPolarHBondContact O-CB 3.41Å; P155-V158 PolarHBondContact O-N 3.5Å; P155-K159 PolarHBondContact O-N 2.86Å; P155-K159 VanDerWaalsContact O-N 3.13Å
156E95.5Very high92.8Very high115 Ų11552.9 Ų52.954%0.53728%0.276SS..Hα-helixtrans-53.4-33.9178.9-67.9-54.2125.200113.5V158 K159 N160E156-V158 VanDerWaalsContact C-N 3.32Å; E156-V158 PolarHBondContact O-N 3.4Å; E156-K159 PolarHBondContact O-N 3.17Å; E156-K159 IonicContact OE1-NZ 2.72Å; E156-K159 PolarHBondContact OE1-NZ 3.4Å; E156-N160 WeakPolarHBondContact O-CB 3.48Å; E156-N160 VanDerWaalsContact O-CG 3.24Å; E156-N160 PolarHBondContact O-N 2.9Å; E156-N160 PolarHBondContact O-ND2 2.79Å
157K96.2Very high93Very high170 Ų17056.6 Ų56.674%0.73929%0.293SS*.Hα-helixtrans-61.3-38.8174.2-67-171.4177.8-171.90113.1P155 A161P155-K157 PolarHBondContact O-N 3.37Å; P155-K157 VanDerWaalsContact O-N 3.08Å; K157-A161 WeakPolarHBondContact O-CB 3.48Å; K157-A161 PolarHBondContact O-N 3.28Å; K157-A161 VanDerWaalsContact O-N 3.08Å
158V96.3Very high93.3Very high8 Ų857.6 Ų57.65%0.04830%0.298CS..Hα-helixtrans-72.3-43.1178.3177.50000110L143 Y154 P155 E156 N160 A161 L162L143-V158 HydrophobicContact CD2-CG1 3.57Å; Y154-V158 HydrophobicContact CD1-CG1 4.1Å; P155-V158 HydrophobicContact CB-CG2 4.45Å; P155-V158 HydrophobicContact CG-CG2 4.3Å; P155-V158 WeakPolarHBondContact O-CA 3.13Å; P155-V158 WeakPolarHBondContact O-CB 3.41Å; P155-V158 PolarHBondContact O-N 3.5Å; E156-V158 VanDerWaalsContact C-N 3.32Å; E156-V158 PolarHBondContact O-N 3.4Å; V158-N160 PolarHBondContact O-N 3.39Å; V158-A161 PolarHBondContact O-N 3.31Å; V158-L162 HydrophobicContact CG1-CD1 4.26Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.04Å
159K97Very high93.8Very high56 Ų5656.8 Ų56.824%0.24329%0.294CS..Hα-helixtrans-57.1-49.1174.8-67.7-174.1-172.91690111.9L73 F74 Y154 P155 E156 A161 L162 L163L73-K159 HydrophobicContact CD1-CG 4.42Å; F74-K159 HydrophobicContact CZ-CB 3.97Å; Y154-K159 WeakPolarHBondContact O-CE 3.5Å; P155-K159 PolarHBondContact O-N 2.86Å; P155-K159 VanDerWaalsContact O-N 3.13Å; E156-K159 PolarHBondContact O-N 3.17Å; E156-K159 IonicContact OE1-NZ 2.72Å; E156-K159 PolarHBondContact OE1-NZ 3.4Å; K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 2.88Å; K159-L162 WeakPolarHBondContact O-CB 3.44Å; K159-L162 PolarHBondContact O-N 3.27Å; K159-L163 PolarHBondContact O-N 2.92Å; K159-L163 VanDerWaalsContact O-N 3.09Å
160N97.3Very high94.3Very high90 Ų9049.5 Ų49.548%0.48126%0.263SS..Hα-helixtrans-62.5-39.3177-69.3-14.4000112.1E156 V158 L162 L163 V164E156-N160 WeakPolarHBondContact O-CB 3.48Å; E156-N160 VanDerWaalsContact O-CG 3.24Å; E156-N160 PolarHBondContact O-N 2.9Å; E156-N160 PolarHBondContact O-ND2 2.79Å; V158-N160 PolarHBondContact O-N 3.39Å; N160-L162 VanDerWaalsContact C-N 3.34Å; N160-L163 PolarHBondContact O-N 3.32Å; N160-V164 WeakPolarHBondContact O-CG2 3.38Å; N160-V164 PolarHBondContact O-N 3.23Å
161A98Very high94.9Very high8 Ų850.7 Ų50.77%0.06627%0.266CS..Hα-helixtrans-65.2-37.3176.500000112.5H135 L139 M142 K157 V158 K159 V164 F165H135-A161 PolarHBondContact NE2-O 3.46Å; L139-A161 HydrophobicContact CD1-CB 3.93Å; M142-A161 HydrophobicContact CE-CB 3.4Å; M142-A161 HydrophobicContact SD-CB 4.16Å; K157-A161 WeakPolarHBondContact O-CB 3.48Å; K157-A161 PolarHBondContact O-N 3.28Å; K157-A161 VanDerWaalsContact O-N 3.08Å; V158-A161 PolarHBondContact O-N 3.31Å; K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 2.88Å; A161-V164 PolarHBondContact O-N 3.03Å; A161-F165 WeakPolarHBondContact O-CB 3.47Å; A161-F165 PolarHBondContact O-N 3.29Å
162L98.1Very high95.7Very high0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-62.5-45.4173.5-73.6166000111.4I66 M69 L70 L73 L139 L143 V158 K159 N160 F165 D166I66-L162 HydrophobicContact CG2-CD2 3.87Å; M69-L162 HydrophobicContact CB-CD1 4.3Å; M69-L162 HydrophobicContact SD-CD2 4.48Å; L70-L162 HydrophobicContact CD2-CB 3.85Å; L73-L162 HydrophobicContact CD1-CD1 3.5Å; L73-L162 VanDerWaalsContact CD1-CD1 3.5Å; L139-L162 HydrophobicContact CD1-CD2 3.98Å; L139-L162 HydrophobicContact CD1-CG 4.14Å; L139-L162 HydrophobicContact CD2-CD2 4.08Å; L143-L162 HydrophobicContact CD1-CD2 4.4Å; V158-L162 HydrophobicContact CG1-CD1 4.26Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.04Å; K159-L162 WeakPolarHBondContact O-CB 3.44Å; K159-L162 PolarHBondContact O-N 3.27Å; N160-L162 VanDerWaalsContact C-N 3.34Å; L162-F165 WeakPolarHBondContact O-CB 3.19Å; L162-F165 PolarHBondContact O-N 2.91Å; L162-D166 WeakPolarHBondContact O-CB 3.4Å; L162-D166 PolarHBondContact O-N 2.96Å
163L97.7Very high96.4Very high38 Ų3844.9 Ų44.920%0.19923%0.226CC..Hα-helixtrans-63.7-41.1176.7-69.4177.3000112.9F74 D79 K159 N160 F165 D166 H167F74-L163 HydrophobicContact CD1-CD1 4.41Å; F74-L163 HydrophobicContact CD1-CD2 4.02Å; F74-L163 HydrophobicContact CD2-CD2 3.72Å; F74-L163 HydrophobicContact CD2-CG 4.33Å; F74-L163 HydrophobicContact CE1-CD1 3.68Å; F74-L163 HydrophobicContact CE1-CD2 3.94Å; F74-L163 HydrophobicContact CE1-CG 3.92Å; F74-L163 HydrophobicContact CE2-CD1 4.38Å; F74-L163 HydrophobicContact CE2-CD2 3.62Å; F74-L163 HydrophobicContact CE2-CG 3.71Å; F74-L163 HydrophobicContact CG-CD2 3.9Å; F74-L163 HydrophobicContact CZ-CD1 3.65Å; F74-L163 HydrophobicContact CZ-CD2 3.72Å; F74-L163 HydrophobicContact CZ-CG 3.47Å; F74-L163 VanDerWaalsContact CZ-CG 3.47Å; D79-L163 VanDerWaalsContact O-CD2 3.32Å; D79-L163 WeakPolarHBondContact O-CD2 3.42Å; K159-L163 PolarHBondContact O-N 2.92Å; K159-L163 VanDerWaalsContact O-N 3.09Å; N160-L163 PolarHBondContact O-N 3.32Å; L163-F165 VanDerWaalsContact C-N 3.31Å; L163-F165 PolarHBondContact O-N 3.44Å; L163-D166 WeakPolarHBondContact O-CB 3.38Å; L163-D166 PolarHBondContact O-N 3Å; L163-H167 PolarHBondContact O-CD2 2.95Å; L163-H167 VanDerWaalsContact O-CD2 3.25Å; L163-H167 PolarHBondContact O-N 3.34Å
164V97.7Very high96.8Very high71 Ų7143 Ų4343%0.4321%0.213SC..Hα-helixtrans-63.3-40.2175.5172.90000111H135 N160 A161 D166 L168H135-V164 VanDerWaalsContact CE1-CG1 3.44Å; H135-V164 WeakPolarHBondContact CE1-CG1 3.4Å; N160-V164 WeakPolarHBondContact O-CG2 3.38Å; N160-V164 PolarHBondContact O-N 3.23Å; A161-V164 PolarHBondContact O-N 3.03Å; V164-D166 VanDerWaalsContact C-N 3.34Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.41Å; V164-L168 WeakPolarHBondContact O-CB 3.25Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 2.76Å
165F98.2Very high96.8Very high10 Ų1044.9 Ų44.94%0.04423%0.225CC..Hα-helixtrans-60.8-46.3173.7164.7-98.3000110.8L63 I66 L70 L132 H135 V136 L139 A161 L162 L163 H167 L168 F169L63-F165 HydrophobicContact CD2-CE2 4.21Å; L63-F165 HydrophobicContact CD2-CZ 3.71Å; I66-F165 HydrophobicContact CB-CE1 4.48Å; I66-F165 HydrophobicContact CG2-CD1 3.63Å; I66-F165 HydrophobicContact CG2-CE1 3.46Å; I66-F165 VanDerWaalsContact CG2-CE1 3.46Å; I66-F165 HydrophobicContact CG2-CZ 4.34Å; L70-F165 HydrophobicContact CD1-CD1 4.36Å; L132-F165 HydrophobicContact CD1-CD2 4.19Å; L132-F165 HydrophobicContact CD1-CE2 4.2Å; H135-F165 VanDerWaalsContact CD2-CA 3.49Å; H135-F165 WeakPolarHBondContact CD2-CA 3.26Å; H135-F165 PolarHBondContact NE2-N 3.08Å; H135-F165 VanDerWaalsContact NE2-N 3.19Å; V136-F165 HydrophobicContact CG2-CD2 3.84Å; V136-F165 HydrophobicContact CG2-CE2 3.66Å; L139-F165 HydrophobicContact CD2-CB 3.63Å; L139-F165 HydrophobicContact CD2-CD1 4.19Å; L139-F165 HydrophobicContact CD2-CD2 4.18Å; L139-F165 HydrophobicContact CD2-CG 3.72Å; A161-F165 WeakPolarHBondContact O-CB 3.47Å; A161-F165 PolarHBondContact O-N 3.29Å; L162-F165 WeakPolarHBondContact O-CB 3.19Å; L162-F165 PolarHBondContact O-N 2.91Å; L163-F165 VanDerWaalsContact C-N 3.31Å; L163-F165 PolarHBondContact O-N 3.44Å; F165-H167 VanDerWaalsContact C-N 3.35Å; F165-H167 PolarHBondContact O-N 3.31Å; F165-L168 PolarHBondContact O-N 2.67Å; F165-F169 HydrophobicContact CE1-CB 4.47Å; F165-F169 HydrophobicContact CE2-CB 4.17Å; F165-F169 AromaticContact CE2-CD2 3.71Å; F165-F169 HydrophobicContact CE2-CD2 3.71Å; F165-F169 HydrophobicContact CE2-CG 4.26Å; F165-F169 HydrophobicContact CZ-CB 4.07Å; F165-F169 AromaticContact CZ-CD2 3.65Å; F165-F169 HydrophobicContact CZ-CD2 3.65Å; F165-F169 HydrophobicContact CZ-CE2 4.34Å; F165-F169 AromaticContact CZ-CG 3.98Å; F165-F169 HydrophobicContact CZ-CG 3.98Å; F165-F169 VanDerWaalsContact O-CB 3.27Å; F165-F169 WeakPolarHBondContact O-CB 3.37Å; F165-F169 PolarHBondContact O-N 2.86Å
166D97.8Very high96.9Very high4 Ų443.6 Ų43.62%0.02121%0.214CC..Hα-helixtrans-58-45.8-178.3-170.740.4000112.1L70 R80 A81 R83 L162 L163 V164 A170L70-D166 HydrophobicContact CD1-CB 3.94Å; L70-D166 HydrophobicContact CD2-CB 4.02Å; R80-D166 WeakPolarHBondContact CA-OD2 3.22Å; R80-D166 VanDerWaalsContact CB-OD2 3.28Å; R80-D166 WeakPolarHBondContact CB-OD2 3.35Å; A81-D166 WeakPolarHBondContact CB-O 3.31Å; A81-D166 PolarHBondContact N-OD2 3Å; R83-D166 IonicContact CZ-OD1 2.79Å; R83-D166 IonicContact NH1-OD1 3.33Å; R83-D166 PolarHBondContact NH1-OD1 3.23Å; R83-D166 IonicContact NH1-OD2 3.64Å; R83-D166 PolarHBondContact NH2-O 2.91Å; R83-D166 IonicContact NH2-OD1 3.22Å; R83-D166 PolarHBondContact NH2-OD1 3.42Å; L162-D166 WeakPolarHBondContact O-CB 3.4Å; L162-D166 PolarHBondContact O-N 2.96Å; L163-D166 WeakPolarHBondContact O-CB 3.38Å; L163-D166 PolarHBondContact O-N 3Å; V164-D166 VanDerWaalsContact C-N 3.34Å; D166-A170 WeakPolarHBondContact O-CB 3.26Å; D166-A170 PolarHBondContact O-N 3.5Å
167H97.5Very high96.8Very high94 Ų9438.2 Ų38.244%0.43519%0.189SC..Hα-helixtrans-65.2-48.4175.2-77.7-69.2000113.2A81 L163 F165 F169 A170 E171A81-H167 HydrophobicContact CB-CB 4.4Å; A81-H167 WeakPolarHBondContact CB-ND1 3.27Å; L163-H167 PolarHBondContact O-CD2 2.95Å; L163-H167 VanDerWaalsContact O-CD2 3.25Å; L163-H167 PolarHBondContact O-N 3.34Å; F165-H167 VanDerWaalsContact C-N 3.35Å; F165-H167 PolarHBondContact O-N 3.31Å; H167-F169 VanDerWaalsContact C-N 3.29Å; H167-F169 PolarHBondContact O-N 2.88Å; H167-A170 PolarHBondContact O-N 3.47Å; H167-E171 WeakPolarHBondContact O-CB 3.49Å; H167-E171 PolarHBondContact O-N 3.12Å
168L97.9Very high96.6Very high22 Ų2232.1 Ų32.112%0.11517%0.168CC..Hα-helixtrans-62.5-38.3179.8-73.4172.4000112L128 L132 H135 V164 F165 F172L128-L168 HydrophobicContact CD1-CD2 3.98Å; L132-L168 HydrophobicContact CD1-CB 3.97Å; H135-L168 HydrophobicContact CB-CD1 3.85Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.41Å; V164-L168 WeakPolarHBondContact O-CB 3.25Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 2.76Å; F165-L168 PolarHBondContact O-N 2.67Å; L168-F172 VanDerWaalsContact O-CB 3.28Å; L168-F172 WeakPolarHBondContact O-CB 3.32Å; L168-F172 PolarHBondContact O-N 3.46Å
169F97.8Very high96.3Very high10 Ų1032.6 Ų32.64%0.04417%0.17CC..Hα-helixtrans-69.7-43.2179.7-163.4-84.1000111.3L63 L102 L132 F165 H167 F172 E173L63-F169 HydrophobicContact CD1-CE2 4.22Å; L63-F169 HydrophobicContact CD1-CZ 4.28Å; L63-F169 HydrophobicContact CD2-CE2 4.23Å; L102-F169 HydrophobicContact CB-CE2 4.4Å; L102-F169 HydrophobicContact CB-CZ 3.89Å; L102-F169 HydrophobicContact CD1-CE1 3.74Å; L102-F169 HydrophobicContact CD1-CZ 3.9Å; L132-F169 HydrophobicContact CD1-CB 4.21Å; L132-F169 HydrophobicContact CD1-CD2 4.15Å; L132-F169 HydrophobicContact CD2-CD2 4.12Å; F165-F169 HydrophobicContact CE1-CB 4.47Å; F165-F169 HydrophobicContact CE2-CB 4.17Å; F165-F169 AromaticContact CE2-CD2 3.71Å; F165-F169 HydrophobicContact CE2-CD2 3.71Å; F165-F169 HydrophobicContact CE2-CG 4.26Å; F165-F169 HydrophobicContact CZ-CB 4.07Å; F165-F169 AromaticContact CZ-CD2 3.65Å; F165-F169 HydrophobicContact CZ-CD2 3.65Å; F165-F169 HydrophobicContact CZ-CE2 4.34Å; F165-F169 AromaticContact CZ-CG 3.98Å; F165-F169 HydrophobicContact CZ-CG 3.98Å; F165-F169 VanDerWaalsContact O-CB 3.27Å; F165-F169 WeakPolarHBondContact O-CB 3.37Å; F165-F169 PolarHBondContact O-N 2.86Å; H167-F169 VanDerWaalsContact C-N 3.29Å; H167-F169 PolarHBondContact O-N 2.88Å; F169-F172 PolarHBondContact O-N 3.22Å; F169-E173 VanDerWaalsContact O-CB 3.26Å; F169-E173 WeakPolarHBondContact O-CB 3.31Å; F169-E173 PolarHBondContact O-N 3.47Å
170A96.5Very high96Very high4 Ų432.4 Ų32.43%0.03317%0.171CC..Hα-helixtrans-63.1-44.2175.300000112.2A81 R83 Y85 D166 H167 F172 E173 L174A81-A170 HydrophobicContact CB-CB 3.71Å; R83-A170 HydrophobicContact CG-CB 4.26Å; Y85-A170 HydrophobicContact CE1-CB 4.46Å; Y85-A170 WeakPolarHBondContact OH-CA 3.39Å; Y85-A170 PolarHBondContact OH-O 3.08Å; D166-A170 WeakPolarHBondContact O-CB 3.26Å; D166-A170 PolarHBondContact O-N 3.5Å; H167-A170 PolarHBondContact O-N 3.47Å; A170-F172 PolarHBondContact O-N 2.74Å; A170-E173 PolarHBondContact O-N 3.31Å; A170-L174 PolarHBondContact O-N 3Å
171E96.4Very high95.6Very high97 Ų9729.9 Ų29.945%0.45316%0.159SC..Hα-helixtrans-62.4-44.6176.7-168.2-172.3164.400111.2L128 H167 L174 N175L128-E171 HydrophobicContact CD1-CB 4.32Å; L128-E171 HydrophobicContact CD1-CG 4.19Å; L128-E171 HydrophobicContact CD2-CB 4.23Å; L128-E171 HydrophobicContact CD2-CG 3.76Å; H167-E171 WeakPolarHBondContact O-CB 3.49Å; H167-E171 PolarHBondContact O-N 3.12Å; E171-L174 PolarHBondContact O-N 2.98Å; E171-N175 PolarHBondContact O-N 2.8Å; E171-N175 VanDerWaalsContact O-N 3.11Å; E171-N175 PolarHBondContact O-ND2 2.97Å
172F97.5Very high95.1Very high0 Ų034.4 Ų34.40%019%0.187CC..Hα-helixtrans-65.9-43178.3-178.1-100.1000111.8L102 A105 A106 L109 L128 A129 L132 L168 F169 A170 L174 N175 Y176L102-F172 HydrophobicContact CB-CE1 4.44Å; L102-F172 HydrophobicContact CD2-CD1 4.38Å; L102-F172 HydrophobicContact CD2-CE1 4.2Å; L102-F172 WeakPolarHBondContact O-CE1 3.47Å; A105-F172 HydrophobicContact CB-CE1 4.44Å; A105-F172 HydrophobicContact CB-CZ 4.38Å; A106-F172 HydrophobicContact CB-CD1 4.22Å; A106-F172 HydrophobicContact CB-CE1 3.71Å; A106-F172 HydrophobicContact CB-CE2 4.17Å; A106-F172 HydrophobicContact CB-CZ 3.68Å; L109-F172 HydrophobicContact CD1-CE2 3.91Å; L109-F172 HydrophobicContact CD1-CZ 3.91Å; L128-F172 HydrophobicContact CD2-CB 4.1Å; L128-F172 HydrophobicContact CD2-CD2 4.33Å; L128-F172 HydrophobicContact CG-CB 4.13Å; L128-F172 HydrophobicContact CG-CD2 4.16Å; A129-F172 HydrophobicContact CB-CD2 4.38Å; A129-F172 HydrophobicContact CB-CE2 3.8Å; L132-F172 HydrophobicContact CD2-CB 3.65Å; L132-F172 HydrophobicContact CD2-CD1 3.72Å; L132-F172 HydrophobicContact CD2-CD2 4.5Å; L132-F172 HydrophobicContact CD2-CG 3.68Å; L168-F172 VanDerWaalsContact O-CB 3.28Å; L168-F172 WeakPolarHBondContact O-CB 3.32Å; L168-F172 PolarHBondContact O-N 3.46Å; F169-F172 PolarHBondContact O-N 3.22Å; A170-F172 PolarHBondContact O-N 2.74Å; F172-L174 PolarHBondContact O-N 2.66Å; F172-N175 PolarHBondContact O-N 2.86Å; F172-Y176 HydrophobicContact CE1-CD2 4.34Å; F172-Y176 HydrophobicContact CE1-CG 4.2Å; F172-Y176 AromaticContact CZ-CD2 3.86Å; F172-Y176 HydrophobicContact CZ-CD2 3.86Å; F172-Y176 HydrophobicContact CZ-CG 4.15Å; F172-Y176 WeakPolarHBondContact O-CB 3.35Å; F172-Y176 PolarHBondContact O-N 2.95Å
173E96.8Very high94.6Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-54.5-52.8175175.9178.6105.900111.3Y85 R86 F89 F98 L102 F169 A170 N175 Y176 V177Y85-E173 HydrophobicContact CE2-CG 4.18Å; Y85-E173 WeakPolarHBondContact CE2-OE1 3.29Å; Y85-E173 PolarHBondContact OH-OE1 3.09Å; R86-E173 IonicContact CZ-OE1 2.76Å; R86-E173 IonicContact CZ-OE2 2.79Å; R86-E173 IonicContact NE-OE1 3.23Å; R86-E173 PolarHBondContact NE-OE1 3.33Å; R86-E173 IonicContact NE-OE2 3.34Å; R86-E173 IonicContact NH2-OE1 3.03Å; R86-E173 PolarHBondContact NH2-OE1 2.89Å; R86-E173 IonicContact NH2-OE2 3.73Å; R86-E173 PolarHBondContact NH2-OE2 3.25Å; F89-E173 HydrophobicContact CE2-CG 4.22Å; F98-E173 HydrophobicContact CE1-CG 3.96Å; F98-E173 HydrophobicContact CZ-CG 4.47Å; L102-E173 HydrophobicContact CD1-CB 3.74Å; L102-E173 HydrophobicContact CD1-CG 3.74Å; F169-E173 VanDerWaalsContact O-CB 3.26Å; F169-E173 WeakPolarHBondContact O-CB 3.31Å; F169-E173 PolarHBondContact O-N 3.47Å; A170-E173 PolarHBondContact O-N 3.31Å; E173-N175 PolarHBondContact O-N 2.93Å; E173-Y176 PolarHBondContact O-N 3.2Å; E173-V177 WeakPolarHBondContact O-CB 3.32Å; E173-V177 VanDerWaalsContact O-CG2 3.23Å; E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 3.09Å
174L94.4Very high94.2Very high32 Ų3236.3 Ų36.317%0.16820%0.197CC..Hα-helixtrans-58.6-50.5-179.9175.456.6000112.1Y85 F89 A170 E171 F172 S178Y85-L174 HydrophobicContact CD1-CB 4.26Å; Y85-L174 HydrophobicContact CD1-CD1 4.45Å; Y85-L174 HydrophobicContact CD1-CD2 3.99Å; Y85-L174 HydrophobicContact CD1-CG 4.46Å; Y85-L174 HydrophobicContact CD2-CB 4.1Å; Y85-L174 HydrophobicContact CD2-CD1 3.77Å; Y85-L174 HydrophobicContact CD2-CG 4.39Å; Y85-L174 HydrophobicContact CE1-CB 4.13Å; Y85-L174 HydrophobicContact CE2-CB 4.01Å; Y85-L174 HydrophobicContact CE2-CD1 4.49Å; Y85-L174 HydrophobicContact CG-CB 4.26Å; Y85-L174 HydrophobicContact CG-CD1 3.78Å; Y85-L174 HydrophobicContact CG-CD2 4.11Å; Y85-L174 HydrophobicContact CG-CG 4.26Å; F89-L174 HydrophobicContact CE1-CD1 4.03Å; F89-L174 HydrophobicContact CZ-CD1 4.25Å; A170-L174 PolarHBondContact O-N 3Å; E171-L174 PolarHBondContact O-N 2.98Å; F172-L174 PolarHBondContact O-N 2.66Å; L174-S178 VanDerWaalsContact O-CB 3.26Å; L174-S178 WeakPolarHBondContact O-CB 3.38Å; L174-S178 PolarHBondContact O-N 3.25Å; L174-S178 PolarHBondContact O-OG 2.94Å
175N94.4Very high93.8Very high64 Ų6435.9 Ų35.934%0.34219%0.194SC..Hα-helixtrans-70.9-37.4-175.9-73.8-82.4000112.1L125 E171 F172 E173 T179L125-N175 HydrophobicContact CD2-CB 3.4Å; E171-N175 PolarHBondContact O-N 2.8Å; E171-N175 VanDerWaalsContact O-N 3.11Å; E171-N175 PolarHBondContact O-ND2 2.97Å; F172-N175 PolarHBondContact O-N 2.86Å; E173-N175 PolarHBondContact O-N 2.93Å; N175-T179 WeakPolarHBondContact O-CB 3.42Å; N175-T179 PolarHBondContact O-N 2.93Å; N175-T179 VanDerWaalsContact O-N 3.09Å; N175-T179 PolarHBondContact O-OG1 3.02Å
176Y95.2Very high93.3Very high22 Ų2237.8 Ų37.89%0.08621%0.212CC..Hα-helixtrans-66.9-49.2177.6-175.7-97.7000111.1L102 A105 L109 I115 L125 F172 E173 S178 T179 M180 L332L102-Y176 HydrophobicContact CD2-CD1 3.54Å; L102-Y176 HydrophobicContact CD2-CE1 4.25Å; L102-Y176 HydrophobicContact CD2-CG 4.12Å; A105-Y176 HydrophobicContact CB-CD2 4.23Å; A105-Y176 HydrophobicContact CB-CE1 4.04Å; A105-Y176 HydrophobicContact CB-CE2 3.58Å; A105-Y176 VanDerWaalsContact CB-CZ 3.46Å; L109-Y176 HydrophobicContact CD1-CD2 4.02Å; L109-Y176 HydrophobicContact CD1-CE2 4.14Å; I115-Y176 HydrophobicContact CD1-CD2 4.13Å; I115-Y176 HydrophobicContact CD1-CE2 3.84Å; I115-Y176 HydrophobicContact CG1-CE2 4.24Å; L125-Y176 HydrophobicContact CD1-CD2 4.41Å; F172-Y176 HydrophobicContact CE1-CD2 4.34Å; F172-Y176 HydrophobicContact CE1-CG 4.2Å; F172-Y176 AromaticContact CZ-CD2 3.86Å; F172-Y176 HydrophobicContact CZ-CD2 3.86Å; F172-Y176 HydrophobicContact CZ-CG 4.15Å; F172-Y176 WeakPolarHBondContact O-CB 3.35Å; F172-Y176 PolarHBondContact O-N 2.95Å; E173-Y176 PolarHBondContact O-N 3.2Å; Y176-S178 PolarHBondContact O-N 3.09Å; Y176-T179 WeakPolarHBondContact O-CB 3.42Å; Y176-T179 PolarHBondContact O-N 3.19Å; Y176-T179 VanDerWaalsContact O-N 3.09Å; Y176-M180 HydrophobicContact CD1-CG 4.01Å; Y176-M180 HydrophobicContact CE1-CG 3.63Å; Y176-M180 HydrophobicContact CE1-SD 4.45Å; Y176-M180 HydrophobicContact CE2-CG 4.23Å; Y176-M180 HydrophobicContact CE2-SD 4.35Å; Y176-M180 HydrophobicContact CG-CG 4.47Å; Y176-M180 VanDerWaalsContact O-CG 3.31Å; Y176-M180 WeakPolarHBondContact O-CG 3.08Å; Y176-M180 PolarHBondContact O-N 3.41Å; Y176-L332 WeakPolarHBondContact OH-CD1 3.12Å
177V94Very high93Very high3 Ų343 Ų432%0.01823%0.231CC..Hα-helixtrans-62-44.8178.5175.80000111.3F89 V93 F98 E173 T179 M180 V181 V183F89-V177 HydrophobicContact CD1-CB 4.45Å; F89-V177 HydrophobicContact CD1-CG1 3.67Å; F89-V177 HydrophobicContact CD2-CB 4.48Å; F89-V177 HydrophobicContact CD2-CG1 3.91Å; F89-V177 HydrophobicContact CD2-CG2 4.38Å; F89-V177 HydrophobicContact CE1-CB 3.93Å; F89-V177 HydrophobicContact CE1-CG1 3.64Å; F89-V177 HydrophobicContact CE2-CB 3.97Å; F89-V177 HydrophobicContact CE2-CG1 3.89Å; F89-V177 HydrophobicContact CE2-CG2 3.82Å; F89-V177 HydrophobicContact CG-CG1 3.81Å; F89-V177 HydrophobicContact CZ-CB 3.65Å; F89-V177 HydrophobicContact CZ-CG1 3.75Å; F89-V177 HydrophobicContact CZ-CG2 3.97Å; V93-V177 HydrophobicContact CG1-CG1 4.01Å; V93-V177 HydrophobicContact CG1-CG2 4.06Å; F98-V177 HydrophobicContact CE1-CG2 4.24Å; F98-V177 HydrophobicContact CE2-CG2 4.23Å; F98-V177 HydrophobicContact CZ-CG2 3.4Å; F98-V177 VanDerWaalsContact CZ-CG2 3.4Å; E173-V177 WeakPolarHBondContact O-CB 3.32Å; E173-V177 VanDerWaalsContact O-CG2 3.23Å; E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 3.09Å; V177-T179 PolarHBondContact O-N 3.29Å; V177-M180 PolarHBondContact O-N 2.97Å; V177-V181 HydrophobicContact CG1-CG2 3.62Å; V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 2.84Å; V177-V183 HydrophobicContact CG1-CG2 3.96Å
178S91.6Very high92.7Very high42 Ų4241.9 Ų41.929%0.29423%0.226SC..Hα-helixtrans-62.1-25.7177.4-56.20000112.8L174 Y176L174-S178 VanDerWaalsContact O-CB 3.26Å; L174-S178 WeakPolarHBondContact O-CB 3.38Å; L174-S178 PolarHBondContact O-N 3.25Å; L174-S178 PolarHBondContact O-OG 2.94Å; Y176-S178 PolarHBondContact O-N 3.09Å
179T91.3Very high92.3Very high17 Ų1743.5 Ų43.510%0.10423%0.231CC..Hα-helixtrans-79.6-34.7172.3-59.40000111.5I115 R118 E121 L125 N175 Y176 V177I115-T179 HydrophobicContact CD1-CG2 3.71Å; R118-T179 HydrophobicContact CB-CG2 4.38Å; R118-T179 WeakPolarHBondContact CD-O 3.43Å; R118-T179 PolarHBondContact NE-O 3.45Å; R118-T179 PolarHBondContact NH1-O 3.19Å; R118-T179 PolarHBondContact NH2-O 3.49Å; E121-T179 HydrophobicContact CB-CG2 3.49Å; E121-T179 VanDerWaalsContact CB-CG2 3.49Å; E121-T179 HydrophobicContact CG-CG2 4.12Å; L125-T179 HydrophobicContact CD1-CG2 4.15Å; N175-T179 WeakPolarHBondContact O-CB 3.42Å; N175-T179 PolarHBondContact O-N 2.93Å; N175-T179 VanDerWaalsContact O-N 3.09Å; N175-T179 PolarHBondContact O-OG1 3.02Å; Y176-T179 WeakPolarHBondContact O-CB 3.42Å; Y176-T179 PolarHBondContact O-N 3.19Å; Y176-T179 VanDerWaalsContact O-N 3.09Å; V177-T179 PolarHBondContact O-N 3.29Å
180M89.9Confident92Very high53 Ų5348.1 Ų48.126%0.26125%0.253SS..Hα-helixtrans-83.6-39.1-173.9-68.8-64.1-64.200113.5I115 R118 Y176 V177 L332I115-M180 HydrophobicContact CB-SD 4.46Å; I115-M180 HydrophobicContact CD1-SD 4.12Å; I115-M180 HydrophobicContact CG1-SD 4.21Å; I115-M180 HydrophobicContact CG2-CE 4.49Å; I115-M180 HydrophobicContact CG2-SD 3.42Å; I115-M180 WeakPolarHBondContact CG2-SD 3.38Å; R118-M180 PolarHBondContact NH2-O 3.24Å; Y176-M180 HydrophobicContact CD1-CG 4.01Å; Y176-M180 HydrophobicContact CE1-CG 3.63Å; Y176-M180 HydrophobicContact CE1-SD 4.45Å; Y176-M180 HydrophobicContact CE2-CG 4.23Å; Y176-M180 HydrophobicContact CE2-SD 4.35Å; Y176-M180 HydrophobicContact CG-CG 4.47Å; Y176-M180 VanDerWaalsContact O-CG 3.31Å; Y176-M180 WeakPolarHBondContact O-CG 3.08Å; Y176-M180 PolarHBondContact O-N 3.41Å; V177-M180 PolarHBondContact O-N 2.97Å; M180-L332 HydrophobicContact CE-CD1 3.78Å
181V88.6Confident91.8Very high37 Ų3748.6 Ų48.622%0.22426%0.255CS..SBendtrans-135.2153-172.7-63.60000111.2P90 V93 V177 V183P90-V181 HydrophobicContact CG-CG2 4.27Å; V93-V181 HydrophobicContact CG2-CG1 4.47Å; V93-V181 HydrophobicContact CG2-CG2 3.86Å; V177-V181 HydrophobicContact CG1-CG2 3.62Å; V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 2.84Å; V181-V183 HydrophobicContact CG2-CG2 4.37Å; V181-V183 PolarHBondContact O-N 2.96Å
182P87Confident91.6Very high102 Ų10244.2 Ų44.266%0.66223%0.234SC*.  trans-63.3122.1170.927-33.5000110
183V88.7Confident91.3Very high32 Ų3247.1 Ų47.119%0.19425%0.249CC..  trans-106139.5175.7173.20000108.1K88 F89 V177 V181 T185K88-V183 HydrophobicContact CB-CG1 3.58Å; K88-V183 WeakPolarHBondContact O-CG1 3.46Å; F89-V183 HydrophobicContact CD1-CB 4.44Å; F89-V183 HydrophobicContact CD1-CG1 3.82Å; F89-V183 HydrophobicContact CD1-CG2 3.7Å; F89-V183 HydrophobicContact CE1-CG1 4.14Å; F89-V183 HydrophobicContact CE1-CG2 3.99Å; V177-V183 HydrophobicContact CG1-CG2 3.96Å; V181-V183 HydrophobicContact CG2-CG2 4.37Å; V181-V183 PolarHBondContact O-N 2.96Å; V183-T185 PolarHBondContact O-N 2.7Å
184K89Confident91.3Very high47 Ų4750.1 Ų50.120%0.20426%0.264CS..  trans-59.4139176.2-67.7-169.7176.9890110.4K88 E188 Q192 D418K88-K184 HydrophobicContact CB-CB 4.15Å; K88-K184 WeakPolarHBondContact CB-O 3.46Å; K88-K184 WeakPolarHBondContact CD-O 3.31Å; K88-K184 PolarHBondContact O-N 2.97Å; K184-E188 HydrophobicContact CB-CB 4.14Å; K184-E188 HydrophobicContact CG-CB 4.48Å; K184-Q192 VanDerWaalsContact NZ-OE1 3.12Å; K184-D418 WeakPolarHBondContact CE-OD1 3.29Å; K184-D418 IonicContact NZ-OD1 3.13Å; K184-D418 PolarHBondContact NZ-OD1 3.04Å
185T89.8Confident91.3Very high62 Ų6248.7 Ų48.738%0.3826%0.256SS..  trans-67.2161.2164.561.80000110.3V183 R187 E188 Y189V183-T185 PolarHBondContact O-N 2.7Å; T185-R187 PolarHBondContact O-N 3.3Å; T185-E188 WeakPolarHBondContact CB-OE2 3.23Å; T185-E188 WeakPolarHBondContact CG2-OE2 3.27Å; T185-E188 PolarHBondContact N-OE2 3.36Å; T185-E188 PolarHBondContact O-N 3.29Å; T185-E188 WeakPolarHBondContact OG1-CB 3.46Å; T185-E188 VanDerWaalsContact OG1-CD 3.28Å; T185-E188 WeakPolarHBondContact OG1-CG 3.08Å; T185-E188 PolarHBondContact OG1-N 3.03Å; T185-E188 VanDerWaalsContact OG1-N 3.16Å; T185-E188 PolarHBondContact OG1-OE2 2.93Å; T185-Y189 PolarHBondContact O-N 3.43Å
186A87.7Confident91.3Very high49 Ų4946.4 Ų46.441%0.40524%0.244SC..Hα-helixtrans-55.4-43.4174.900000111.4E188 Y189 E190A186-E188 PolarHBondContact O-N 3.37Å; A186-Y189 PolarHBondContact O-N 3.42Å; A186-E190 WeakPolarHBondContact O-CG 3.35Å; A186-E190 PolarHBondContact O-N 3.02Å
187R90.6Very high91.3Very high115 Ų11549.2 Ų49.243%0.43426%0.263SS..Hα-helixtrans-62.7-42.6176.7-174.6176.2178.4-174.5-1.7112.8T185 Y189 E190 L191 E252 N253T185-R187 PolarHBondContact O-N 3.3Å; R187-Y189 VanDerWaalsContact C-N 3.31Å; R187-Y189 PolarHBondContact O-N 3.02Å; R187-E190 PolarHBondContact O-N 3Å; R187-L191 VanDerWaalsContact O-CG 3.31Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 2.99Å; R187-E252 IonicContact NH2-OE1 2.84Å; R187-E252 PolarHBondContact NH2-OE1 3.05Å; R187-N253 PolarHBondContact NH2-OD1 2.74Å
188E90.9Very high91.4Very high69 Ų6949.1 Ų49.132%0.32226%0.263SS..Hα-helixtrans-64.4-38.6176.4-75.4163.4148.100111.8K184 T185 A186 Q192K184-E188 HydrophobicContact CB-CB 4.14Å; K184-E188 HydrophobicContact CG-CB 4.48Å; T185-E188 WeakPolarHBondContact CB-OE2 3.23Å; T185-E188 WeakPolarHBondContact CG2-OE2 3.27Å; T185-E188 PolarHBondContact N-OE2 3.36Å; T185-E188 PolarHBondContact O-N 3.29Å; T185-E188 WeakPolarHBondContact OG1-CB 3.46Å; T185-E188 VanDerWaalsContact OG1-CD 3.28Å; T185-E188 WeakPolarHBondContact OG1-CG 3.08Å; T185-E188 PolarHBondContact OG1-N 3.03Å; T185-E188 VanDerWaalsContact OG1-N 3.16Å; T185-E188 PolarHBondContact OG1-OE2 2.93Å; A186-E188 PolarHBondContact O-N 3.37Å; E188-Q192 PolarHBondContact O-N 2.88Å; E188-Q192 VanDerWaalsContact O-N 3.11Å
189Y90.1Very high91.7Very high57 Ų5747.2 Ų47.222%0.22425%0.249CC..Hα-helixtrans-66.8-43.2174.9179.8-112.8000112.1V87 K88 T185 A186 R187 L191 Q192 L193V87-Y189 HydrophobicContact CB-CE2 3.79Å; V87-Y189 HydrophobicContact CG2-CD1 4.1Å; V87-Y189 HydrophobicContact CG2-CD2 4.06Å; V87-Y189 HydrophobicContact CG2-CE1 3.59Å; V87-Y189 HydrophobicContact CG2-CE2 3.57Å; V87-Y189 HydrophobicContact CG2-CG 4.31Å; K88-Y189 HydrophobicContact CG-CG 4.39Å; T185-Y189 PolarHBondContact O-N 3.43Å; A186-Y189 PolarHBondContact O-N 3.42Å; R187-Y189 VanDerWaalsContact C-N 3.31Å; R187-Y189 PolarHBondContact O-N 3.02Å; Y189-L191 VanDerWaalsContact C-N 3.34Å; Y189-L191 PolarHBondContact O-N 3.4Å; Y189-Q192 CarbonylContact O-C 3.56Å; Y189-Q192 WeakPolarHBondContact O-CA 3.35Å; Y189-Q192 WeakPolarHBondContact O-CB 3.25Å; Y189-Q192 PolarHBondContact O-N 3.1Å; Y189-L193 HydrophobicContact CD1-CD1 4.03Å; Y189-L193 HydrophobicContact CD1-CG 4.39Å; Y189-L193 HydrophobicContact CE1-CD1 3.55Å; Y189-L193 HydrophobicContact CE1-CD2 4.36Å; Y189-L193 HydrophobicContact CE1-CG 4.01Å; Y189-L193 HydrophobicContact CE2-CD2 4.28Å; Y189-L193 HydrophobicContact CE2-CG 4.35Å; Y189-L193 PolarHBondContact O-N 3.22Å
190E91.2Very high91.8Very high106 Ų10648.5 Ų48.550%0.49526%0.259SS..Hα-helixtrans-57.2-45173.8-74.9168.6-175.500111.9A186 R187 Q192 L193 E194A186-E190 WeakPolarHBondContact O-CG 3.35Å; A186-E190 PolarHBondContact O-N 3.02Å; R187-E190 PolarHBondContact O-N 3Å; E190-Q192 VanDerWaalsContact C-N 3.26Å; E190-Q192 PolarHBondContact O-N 3.2Å; E190-L193 WeakPolarHBondContact O-CB 3.38Å; E190-L193 PolarHBondContact O-N 3.22Å; E190-L193 VanDerWaalsContact O-N 3.1Å; E190-E194 PolarHBondContact O-N 3.02Å
191L93Very high92.1Very high15 Ų1549.5 Ų49.58%0.07926%0.263CS..Hα-helixtrans-64.4-30.5176-68.4173.9000112.6R187 Y189 M195 N253 C255R187-L191 VanDerWaalsContact O-CG 3.31Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 2.99Å; Y189-L191 VanDerWaalsContact C-N 3.34Å; Y189-L191 PolarHBondContact O-N 3.4Å; L191-M195 PolarHBondContact O-N 3.41Å; L191-N253 VanDerWaalsContact CD2-O 3.29Å; L191-N253 WeakPolarHBondContact CD2-O 3.27Å; L191-C255 HydrophobicContact CB-CB 4.36Å
192Q92.2Very high92.6Very high4 Ų447.8 Ų47.82%0.01925%0.253CS..Hα-helixtrans-72.2-36.6171.7-178.7167.945.100111.7K184 E188 Y189 E190 E194 M195 V196 D418 V422K184-Q192 VanDerWaalsContact NZ-OE1 3.12Å; E188-Q192 PolarHBondContact O-N 2.88Å; E188-Q192 VanDerWaalsContact O-N 3.11Å; Y189-Q192 CarbonylContact O-C 3.56Å; Y189-Q192 WeakPolarHBondContact O-CA 3.35Å; Y189-Q192 WeakPolarHBondContact O-CB 3.25Å; Y189-Q192 PolarHBondContact O-N 3.1Å; E190-Q192 VanDerWaalsContact C-N 3.26Å; E190-Q192 PolarHBondContact O-N 3.2Å; Q192-E194 VanDerWaalsContact C-N 3.33Å; Q192-E194 PolarHBondContact O-N 3.29Å; Q192-M195 WeakPolarHBondContact O-CA 3.15Å; Q192-M195 VanDerWaalsContact O-CB 3.29Å; Q192-M195 WeakPolarHBondContact O-CB 3.21Å; Q192-M195 PolarHBondContact O-N 3.04Å; Q192-M195 VanDerWaalsContact O-N 3.09Å; Q192-V196 PolarHBondContact O-N 3.45Å; Q192-D418 VanDerWaalsContact NE2-CA 3.34Å; Q192-D418 PolarHBondContact NE2-O 3.05Å; Q192-D418 PolarHBondContact NE2-OD1 2.98Å; Q192-V422 HydrophobicContact CG-CG2 4.09Å
193L92.1Very high93Very high61 Ų6143.7 Ų43.732%0.31923%0.225SC..Hα-helixtrans-64.3-35.5173.6-70.1178.3000112.2Y189 E190 M195 V196 V197Y189-L193 HydrophobicContact CD1-CD1 4.03Å; Y189-L193 HydrophobicContact CD1-CG 4.39Å; Y189-L193 HydrophobicContact CE1-CD1 3.55Å; Y189-L193 HydrophobicContact CE1-CD2 4.36Å; Y189-L193 HydrophobicContact CE1-CG 4.01Å; Y189-L193 HydrophobicContact CE2-CD2 4.28Å; Y189-L193 HydrophobicContact CE2-CG 4.35Å; Y189-L193 PolarHBondContact O-N 3.22Å; E190-L193 WeakPolarHBondContact O-CB 3.38Å; E190-L193 PolarHBondContact O-N 3.22Å; E190-L193 VanDerWaalsContact O-N 3.1Å; L193-M195 PolarHBondContact O-N 3.37Å; L193-V196 HydrophobicContact CD2-CG2 4.5Å; L193-V196 WeakPolarHBondContact O-CB 3.33Å; L193-V196 PolarHBondContact O-N 3.15Å; L193-V196 VanDerWaalsContact O-N 3.09Å; L193-V197 WeakPolarHBondContact O-CG2 3.26Å; L193-V197 PolarHBondContact O-N 3.05Å
194E94.8Very high93.2Very high64 Ų6447.5 Ų47.530%0.29924%0.243SC..Hα-helixtrans-59.9-36171.2-68.5-170.9-162.700112E190 Q192 V197 L198 P244 R249E190-E194 PolarHBondContact O-N 3.02Å; Q192-E194 VanDerWaalsContact C-N 3.33Å; Q192-E194 PolarHBondContact O-N 3.29Å; E194-V197 PolarHBondContact O-N 3.35Å; E194-L198 PolarHBondContact O-N 2.82Å; E194-P244 HydrophobicContact CB-CB 3.96Å; E194-P244 HydrophobicContact CB-CG 4.25Å; E194-R249 IonicContact OE1-NH1 3.43Å; E194-R249 IonicContact OE2-CZ 3.96Å; E194-R249 IonicContact OE2-NH1 3.4Å; E194-R249 PolarHBondContact OE2-NH1 3.37Å; E194-R249 IonicContact OE2-NH2 2.96Å
195M95.1Very high93.6Very high1 Ų147 Ų471%0.00524%0.24CC..Hα-helixtrans-66.4-39173.1-64.9-64.2-65.300112L191 Q192 L193 L198 F199 P244 L245 C255 L258 W411 V422L191-M195 PolarHBondContact O-N 3.41Å; Q192-M195 WeakPolarHBondContact O-CA 3.15Å; Q192-M195 VanDerWaalsContact O-CB 3.29Å; Q192-M195 WeakPolarHBondContact O-CB 3.21Å; Q192-M195 PolarHBondContact O-N 3.04Å; Q192-M195 VanDerWaalsContact O-N 3.09Å; L193-M195 PolarHBondContact O-N 3.37Å; M195-L198 PolarHBondContact O-N 2.84Å; M195-F199 HydrophobicContact CE-CD2 4.45Å; M195-F199 HydrophobicContact CE-CE2 3.74Å; M195-F199 WeakPolarHBondContact O-CB 3.32Å; M195-F199 VanDerWaalsContact O-CD2 3.26Å; M195-F199 WeakPolarHBondContact O-CD2 3.19Å; M195-F199 PolarHBondContact O-N 2.78Å; M195-P244 HydrophobicContact SD-CB 3.73Å; M195-P244 HydrophobicContact SD-CG 3.76Å; M195-L245 HydrophobicContact SD-CD1 4.28Å; M195-C255 HydrophobicContact CG-CB 4.01Å; M195-C255 HydrophobicContact SD-CB 4.43Å; M195-L258 HydrophobicContact CE-CD2 4.03Å; M195-L258 HydrophobicContact CE-CG 4.46Å; M195-L258 HydrophobicContact SD-CD1 3.81Å; M195-L258 HydrophobicContact SD-CD2 4.3Å; M195-L258 HydrophobicContact SD-CG 4.18Å; M195-W411 HydrophobicContact CE-CH2 4.22Å; M195-W411 HydrophobicContact CE-CZ3 4.37Å; M195-V422 HydrophobicContact CB-CG2 4.19Å
196V94.5Very high93.9Very high17 Ų1744.1 Ų44.110%0.10322%0.223CC..Hα-helixtrans-58.4-48.2172.9175.70000110.9Q192 L193 L198 F199 S200 V422 T425 I426Q192-V196 PolarHBondContact O-N 3.45Å; L193-V196 HydrophobicContact CD2-CG2 4.5Å; L193-V196 WeakPolarHBondContact O-CB 3.33Å; L193-V196 PolarHBondContact O-N 3.15Å; L193-V196 VanDerWaalsContact O-N 3.09Å; V196-L198 PolarHBondContact O-N 2.61Å; V196-F199 PolarHBondContact O-N 3.02Å; V196-S200 VanDerWaalsContact O-CB 3.3Å; V196-S200 WeakPolarHBondContact O-CB 3.39Å; V196-S200 PolarHBondContact O-N 2.85Å; V196-V422 HydrophobicContact CG2-CB 4.31Å; V196-V422 HydrophobicContact CG2-CG1 4.29Å; V196-V422 HydrophobicContact CG2-CG2 4.04Å; V196-T425 HydrophobicContact CG1-CG2 3.72Å; V196-T425 HydrophobicContact CG2-CG2 4.41Å; V196-I426 HydrophobicContact CG1-CG1 4.15Å
197V95.3Very high94.2Very high80 Ų8046.4 Ų46.449%0.48522%0.223SC..Hα-helixtrans-59-50.2178.21740000110.4L193 E194 F199 S200 E201L193-V197 WeakPolarHBondContact O-CG2 3.26Å; L193-V197 PolarHBondContact O-N 3.05Å; E194-V197 PolarHBondContact O-N 3.35Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 PolarHBondContact O-N 3.37Å; V197-S200 PolarHBondContact O-N 2.95Å; V197-E201 HydrophobicContact CG1-CG 4.39Å; V197-E201 WeakPolarHBondContact O-CG 3.46Å; V197-E201 PolarHBondContact O-N 3.08Å
198L96.9Very high94.5Very high2 Ų250.1 Ų50.11%0.0124%0.243CC..Hα-helixtrans-57.3-46.5178.5171.463.7000112.1E194 M195 V196 T202 A232 C235 Y240 P244 L245E194-L198 PolarHBondContact O-N 2.82Å; M195-L198 PolarHBondContact O-N 2.84Å; V196-L198 PolarHBondContact O-N 2.61Å; L198-T202 VanDerWaalsContact O-CB 3.25Å; L198-T202 WeakPolarHBondContact O-CB 3.39Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 3.11Å; L198-A232 HydrophobicContact CG-CB 4.45Å; L198-C235 HydrophobicContact CD1-CB 4.36Å; L198-Y240 HydrophobicContact CD1-CD2 3.86Å; L198-P244 HydrophobicContact CB-CG 3.85Å; L198-P244 HydrophobicContact CD2-CG 3.74Å; L198-P244 HydrophobicContact CG-CG 4.4Å; L198-L245 HydrophobicContact CD2-CD1 3.42Å; L198-L245 VanDerWaalsContact CD2-CD1 3.42Å
199F96.4Very high94.6Very high1 Ų151.5 Ų51.50%0.00425%0.247CC..Hα-helixtrans-67.8-37.8-179.1-86.3-131000111.5M195 V196 V197 T202 L203 L228 P229 A232 W411 L419 V422 L423 I426M195-F199 HydrophobicContact CE-CD2 4.45Å; M195-F199 HydrophobicContact CE-CE2 3.74Å; M195-F199 WeakPolarHBondContact O-CB 3.32Å; M195-F199 VanDerWaalsContact O-CD2 3.26Å; M195-F199 WeakPolarHBondContact O-CD2 3.19Å; M195-F199 PolarHBondContact O-N 2.78Å; V196-F199 PolarHBondContact O-N 3.02Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 PolarHBondContact O-N 3.37Å; F199-T202 WeakPolarHBondContact O-CB 3.47Å; F199-T202 PolarHBondContact O-N 3.42Å; F199-L203 WeakPolarHBondContact O-CB 3.41Å; F199-L203 PolarHBondContact O-N 3.15Å; F199-L228 HydrophobicContact CD1-CD2 4.11Å; F199-L228 HydrophobicContact CD1-CG 4.02Å; F199-P229 HydrophobicContact CE1-CB 4.13Å; F199-P229 HydrophobicContact CE1-CG 3.97Å; F199-P229 HydrophobicContact CZ-CB 4.06Å; F199-P229 HydrophobicContact CZ-CG 4.38Å; F199-A232 HydrophobicContact CD2-CB 3.57Å; F199-A232 HydrophobicContact CE2-CB 3.48Å; F199-A232 VanDerWaalsContact CE2-CB 3.48Å; F199-A232 HydrophobicContact CG-CB 4.16Å; F199-A232 HydrophobicContact CZ-CB 4.02Å; F199-W411 HydrophobicContact CE2-CZ3 4.13Å; F199-W411 HydrophobicContact CZ-CE3 4.25Å; F199-W411 AromaticContact CZ-CZ3 3.9Å; F199-W411 HydrophobicContact CZ-CZ3 3.9Å; F199-L419 HydrophobicContact CE1-CD1 3.72Å; F199-L419 HydrophobicContact CZ-CD1 4.01Å; F199-V422 HydrophobicContact CB-CG1 4.05Å; F199-V422 HydrophobicContact CD1-CG1 3.72Å; F199-V422 HydrophobicContact CD2-CG1 4.31Å; F199-V422 HydrophobicContact CE1-CG1 4.2Å; F199-V422 HydrophobicContact CG-CG1 3.78Å; F199-L423 HydrophobicContact CD1-CD2 4.11Å; F199-L423 HydrophobicContact CE1-CD2 4.37Å; F199-I426 HydrophobicContact CB-CD1 3.27Å; F199-I426 HydrophobicContact CD1-CD1 4.38Å; F199-I426 HydrophobicContact CG-CD1 4.28Å
200S95.1Very high94.8Very high45 Ų4551.5 Ų51.532%0.31527%0.265SS..Hα-helixtrans-62.2-49.9174.7-178.20000111.7V196 V197 T202 L203 I204V196-S200 VanDerWaalsContact O-CB 3.3Å; V196-S200 WeakPolarHBondContact O-CB 3.39Å; V196-S200 PolarHBondContact O-N 2.85Å; V197-S200 PolarHBondContact O-N 2.95Å; S200-T202 VanDerWaalsContact C-N 3.3Å; S200-T202 PolarHBondContact O-N 2.94Å; S200-L203 PolarHBondContact O-N 2.83Å; S200-L203 VanDerWaalsContact O-N 3.17Å; S200-I204 WeakPolarHBondContact O-CG1 3.33Å; S200-I204 PolarHBondContact O-N 3.1Å
201E96.2Very high95Very high74 Ų7447.9 Ų47.935%0.34625%0.249SC..Hα-helixtrans-61.6-39.7176.2-70.3-176.8156.800111.9V197 I204 R205 Y240V197-E201 HydrophobicContact CG1-CG 4.39Å; V197-E201 WeakPolarHBondContact O-CG 3.46Å; V197-E201 PolarHBondContact O-N 3.08Å; E201-I204 PolarHBondContact O-N 2.82Å; E201-R205 WeakPolarHBondContact O-CB 3.38Å; E201-R205 PolarHBondContact O-N 3.48Å; E201-Y240 HydrophobicContact CB-CE1 4.39Å; E201-Y240 HydrophobicContact CB-CE2 3.91Å; E201-Y240 WeakPolarHBondContact OE2-CD1 3.49Å; E201-Y240 WeakPolarHBondContact OE2-CE1 3.46Å
202T97.1Very high95Very high1 Ų147.2 Ų47.21%0.00625%0.245CC..Hα-helixtrans-60.7-45.5174.1-60.80000111.2L198 F199 S200 R205 A206 L228 L231 A232 C235L198-T202 VanDerWaalsContact O-CB 3.25Å; L198-T202 WeakPolarHBondContact O-CB 3.39Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 3.11Å; F199-T202 WeakPolarHBondContact O-CB 3.47Å; F199-T202 PolarHBondContact O-N 3.42Å; S200-T202 VanDerWaalsContact C-N 3.3Å; S200-T202 PolarHBondContact O-N 2.94Å; T202-R205 PolarHBondContact O-N 3.48Å; T202-A206 VanDerWaalsContact O-CB 3.24Å; T202-A206 WeakPolarHBondContact O-CB 2.81Å; T202-A206 PolarHBondContact O-N 3.06Å; T202-L228 HydrophobicContact CG2-CD1 3.73Å; T202-L231 HydrophobicContact CG2-CB 3.65Å; T202-A232 HydrophobicContact CG2-CB 4.19Å; T202-C235 HydrophobicContact CG2-CB 4.36Å; T202-C235 WeakPolarHBondContact OG1-CB 3.26Å
203L95.3Very high95Very high15 Ų1550.1 Ų50.18%0.07926%0.264CS..Hα-helixtrans-62.5-46.1179.1-177.763.2000111.1F199 S200 R205 A206 K207 I212 I217 L228 I426 F427F199-L203 WeakPolarHBondContact O-CB 3.41Å; F199-L203 PolarHBondContact O-N 3.15Å; S200-L203 PolarHBondContact O-N 2.83Å; S200-L203 VanDerWaalsContact O-N 3.17Å; L203-R205 VanDerWaalsContact C-N 3.32Å; L203-R205 PolarHBondContact O-N 3.04Å; L203-A206 PolarHBondContact O-N 3.34Å; L203-K207 WeakPolarHBondContact O-CB 3.45Å; L203-K207 PolarHBondContact O-N 3.12Å; L203-I212 HydrophobicContact CD1-CD1 3.9Å; L203-I212 HydrophobicContact CD1-CG2 4.16Å; L203-I217 HydrophobicContact CD1-CD1 3.91Å; L203-I217 HydrophobicContact CD1-CG1 4.1Å; L203-I217 HydrophobicContact CD2-CD1 4.42Å; L203-I217 HydrophobicContact CG-CD1 4.18Å; L203-L228 HydrophobicContact CB-CD1 3.94Å; L203-L228 HydrophobicContact CB-CD2 4.41Å; L203-L228 HydrophobicContact CD1-CD1 4.33Å; L203-L228 HydrophobicContact CD1-CD2 4.47Å; L203-I426 HydrophobicContact CD2-CG2 3.61Å; L203-F427 HydrophobicContact CD2-CE1 3.76Å; L203-F427 HydrophobicContact CD2-CZ 3.91Å
204I94.8Very high95Very high113 Ų11351 Ų5158%0.57927%0.266SS*.Hα-helixtrans-59.1-44.6176.8-67.3165.6000110.6S200 E201 K208S200-I204 WeakPolarHBondContact O-CG1 3.33Å; S200-I204 PolarHBondContact O-N 3.1Å; E201-I204 PolarHBondContact O-N 2.82Å; I204-K208 WeakPolarHBondContact O-CB 3.3Å; I204-K208 PolarHBondContact O-N 3.4Å
205R96.5Very high94.8Very high37 Ų3754.7 Ų54.714%0.1428%0.283CS..Hα-helixtrans-67-43.7177.8-175.4-175.6173.2-78.513.1111.9E201 T202 L203 K207 K208 K209 E284E201-R205 WeakPolarHBondContact O-CB 3.38Å; E201-R205 PolarHBondContact O-N 3.48Å; T202-R205 PolarHBondContact O-N 3.48Å; L203-R205 VanDerWaalsContact C-N 3.32Å; L203-R205 PolarHBondContact O-N 3.04Å; R205-K207 VanDerWaalsContact C-N 3.33Å; R205-K208 PolarHBondContact O-N 3.37Å; R205-K209 PolarHBondContact O-N 3.22Å; R205-E284 IonicContact CZ-OE1 2.62Å; R205-E284 IonicContact CZ-OE2 3.26Å; R205-E284 IonicContact NH1-OE1 3.74Å; R205-E284 PolarHBondContact NH1-OE1 3Å; R205-E284 IonicContact NH1-OE2 3.21Å; R205-E284 PolarHBondContact NH1-OE2 2.93Å; R205-E284 IonicContact NH2-OE1 3.21Å; R205-E284 PolarHBondContact NH2-OE1 2.99Å; R205-E284 IonicContact NH2-OE2 3.37Å; R205-E284 PolarHBondContact NH2-OE2 3.27Å
206A95.9Very high94.5Very high1 Ų156.3 Ų56.31%0.00829%0.291CS..Hα-helixtrans-60.7-44.2178.200000110.9T202 L203 K209 G210 L211 I212 L231T202-A206 VanDerWaalsContact O-CB 3.24Å; T202-A206 WeakPolarHBondContact O-CB 2.81Å; T202-A206 PolarHBondContact O-N 3.06Å; L203-A206 PolarHBondContact O-N 3.34Å; A206-K209 CarbonylContact O-C 3.22Å; A206-K209 PolarHBondContact O-N 3.18Å; A206-G210 PolarHBondContact O-N 3.38Å; A206-L211 HydrophobicContact CB-CB 4.17Å; A206-L211 PolarHBondContact O-N 2.96Å; A206-I212 HydrophobicContact CB-CB 4.26Å; A206-I212 HydrophobicContact CB-CD1 3.89Å; A206-I212 HydrophobicContact CB-CG1 4.02Å; A206-L231 HydrophobicContact CB-CD1 3.94Å
207K94.8Very high94.2Very high97 Ų9757 Ų5742%0.42229%0.294SS..Hα-helixtrans-57.3-49.4171.5177.9180171.1171.50111.9L203 R205 K209 G210 I212 E214 I217L203-K207 WeakPolarHBondContact O-CB 3.45Å; L203-K207 PolarHBondContact O-N 3.12Å; R205-K207 VanDerWaalsContact C-N 3.33Å; K207-K209 VanDerWaalsContact C-N 3.28Å; K207-K209 PolarHBondContact O-N 3.31Å; K207-G210 PolarHBondContact O-N 2.8Å; K207-I212 WeakPolarHBondContact CA-O 3.26Å; K207-E214 VanDerWaalsContact CD-OE2 3.3Å; K207-E214 WeakPolarHBondContact CD-OE2 3.31Å; K207-E214 WeakPolarHBondContact CE-OE2 3.15Å; K207-E214 IonicContact NZ-OE1 3.58Å; K207-E214 PolarHBondContact NZ-OE1 3.5Å; K207-E214 IonicContact NZ-OE2 2.68Å; K207-E214 PolarHBondContact NZ-OE2 3.48Å; K207-I217 HydrophobicContact CD-CD1 4.2Å
208K95.5Very high93.8Very high193 Ų19360.2 Ų60.284%0.83930%0.304SS*.Hα-helixtrans-61.9-34178.7-174.8177.6178.3-179.20113.1I204 R205 G210I204-K208 WeakPolarHBondContact O-CB 3.3Å; I204-K208 PolarHBondContact O-N 3.4Å; R205-K208 PolarHBondContact O-N 3.37Å; K208-G210 VanDerWaalsContact C-N 3.33Å
209K94.7Very high93.2Very high97 Ų9764.4 Ų64.442%0.42233%0.329SS..Hα-helixtrans-82.3-7.2175.7-76.4-158172.4-166.20113.9R205 A206 K207 L211 E284R205-K209 PolarHBondContact O-N 3.22Å; A206-K209 CarbonylContact O-C 3.22Å; A206-K209 PolarHBondContact O-N 3.18Å; K207-K209 VanDerWaalsContact C-N 3.28Å; K207-K209 PolarHBondContact O-N 3.31Å; K209-L211 VanDerWaalsContact C-N 3.28Å; K209-L211 HydrophobicContact CB-CD1 4.13Å; K209-L211 HydrophobicContact CB-CG 3.98Å; K209-L211 HydrophobicContact CD-CD1 4.3Å; K209-E284 IonicContact NZ-OE1 2.72Å; K209-E284 IonicContact NZ-OE2 3.65Å; K209-E284 PolarHBondContact NZ-OE2 2.94Å
210G94.4Very high92.6Very high58 Ų5867.8 Ų67.860%0.59835%0.352SS*.THydrogen-bonded Turntrans71.220.7-174.800000114.2A206 K207 K208A206-G210 PolarHBondContact O-N 3.38Å; K207-G210 PolarHBondContact O-N 2.8Å; K208-G210 VanDerWaalsContact C-N 3.33Å
211L94.7Very high92.2Very high29 Ų2967.9 Ų67.915%0.15235%0.349CS..SBendtrans-79.2-29.2175.4-64.3172.4000112.2A206 K209 L231 E284A206-L211 HydrophobicContact CB-CB 4.17Å; A206-L211 PolarHBondContact O-N 2.96Å; K209-L211 VanDerWaalsContact C-N 3.28Å; K209-L211 HydrophobicContact CB-CD1 4.13Å; K209-L211 HydrophobicContact CB-CG 3.98Å; K209-L211 HydrophobicContact CD-CD1 4.3Å; L211-L231 HydrophobicContact CB-CD1 4.41Å; L211-L231 HydrophobicContact CD1-CD1 4.38Å; L211-L231 HydrophobicContact CD1-CD2 4.13Å; L211-E284 HydrophobicContact CD1-CB 3.92Å; L211-E284 HydrophobicContact CD2-CB 4.45Å
212I93.7Very high91.8Very high1 Ų168.5 Ų68.51%0.00536%0.36CS..SBendtrans-129.4131.1172.8-64.2175.2000106.5L203 A206 K207 Q216 I217 I224 L228 L231L203-I212 HydrophobicContact CD1-CD1 3.9Å; L203-I212 HydrophobicContact CD1-CG2 4.16Å; A206-I212 HydrophobicContact CB-CB 4.26Å; A206-I212 HydrophobicContact CB-CD1 3.89Å; A206-I212 HydrophobicContact CB-CG1 4.02Å; K207-I212 WeakPolarHBondContact CA-O 3.26Å; I212-Q216 HydrophobicContact CG2-CB 4.22Å; I212-I217 HydrophobicContact CG2-CD1 4.23Å; I212-I217 HydrophobicContact CG2-CG1 3.93Å; I212-I224 HydrophobicContact CG2-CD1 3.9Å; I212-I224 HydrophobicContact CG2-CG1 4.11Å; I212-L228 HydrophobicContact CD1-CD1 4.45Å; I212-L231 HydrophobicContact CD1-CD1 4.28Å
213T92.3Very high91.4Very high65 Ų6570.4 Ų70.440%0.39937%0.371SS..  trans-88.1161.1-178.472.20000111.9E215 Q216 I217T213-E215 VanDerWaalsContact C-N 3.28Å; T213-E215 PolarHBondContact O-N 2.94Å; T213-Q216 PolarHBondContact O-N 3.15Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.45Å; T213-Q216 PolarHBondContact OG1-N 2.66Å; T213-Q216 PolarHBondContact OG1-OE1 3.32Å; T213-I217 PolarHBondContact O-N 3.08Å
214E90.6Very high91.1Very high80 Ų8069.8 Ų69.837%0.37437%0.368SS..Hα-helixtrans-61.7-39.5174-165.871.7151.300111.8K207 Q216 I217 E218K207-E214 VanDerWaalsContact CD-OE2 3.3Å; K207-E214 WeakPolarHBondContact CD-OE2 3.31Å; K207-E214 WeakPolarHBondContact CE-OE2 3.15Å; K207-E214 IonicContact NZ-OE1 3.58Å; K207-E214 PolarHBondContact NZ-OE1 3.5Å; K207-E214 IonicContact NZ-OE2 2.68Å; K207-E214 PolarHBondContact NZ-OE2 3.48Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 2.95Å; E214-I217 WeakPolarHBondContact O-CB 3.32Å; E214-I217 PolarHBondContact O-N 2.82Å; E214-E218 HydrophobicContact CG-CG 4.29Å; E214-E218 WeakPolarHBondContact O-CG 3.37Å; E214-E218 PolarHBondContact O-N 3.43Å
215E90.3Very high90.8Very high141 Ų14169 Ų6966%0.65936%0.363SS*.Hα-helixtrans-59.1-41.9177.1-177.6178.1-169.800111.7T213 I217 E218 T219T213-E215 VanDerWaalsContact C-N 3.28Å; T213-E215 PolarHBondContact O-N 2.94Å; E215-I217 VanDerWaalsContact C-N 3.27Å; E215-I217 PolarHBondContact O-N 3.44Å; E215-E218 PolarHBondContact O-N 3.03Å; E215-T219 HydrophobicContact CG-CG2 4.42Å; E215-T219 WeakPolarHBondContact O-CB 3.33Å; E215-T219 WeakPolarHBondContact O-CG2 3.46Å; E215-T219 PolarHBondContact O-N 3.27Å; E215-T219 PolarHBondContact O-OG1 2.89Å
216Q89.1Confident90.4Very high35 Ų3570.9 Ų70.916%0.16437%0.372CS..Hα-helixtrans-61.8-37.6176.2-72.3175.2-69.700111.4I212 T213 E214 C220 D221 T223 I224I212-Q216 HydrophobicContact CG2-CB 4.22Å; T213-Q216 PolarHBondContact O-N 3.15Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.45Å; T213-Q216 PolarHBondContact OG1-N 2.66Å; T213-Q216 PolarHBondContact OG1-OE1 3.32Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 2.95Å; Q216-C220 PolarHBondContact O-N 3.13Å; Q216-D221 HydrophobicContact CB-CB 3.85Å; Q216-D221 HydrophobicContact CG-CB 4.01Å; Q216-D221 WeakPolarHBondContact O-CB 3.37Å; Q216-D221 PolarHBondContact O-N 2.74Å; Q216-T223 PolarHBondContact NE2-OG1 3.01Å; Q216-I224 VanDerWaalsContact C-CD1 3.4Å; Q216-I224 HydrophobicContact CB-CD1 3.78Å; Q216-I224 HydrophobicContact CB-CG1 4.08Å; Q216-I224 WeakPolarHBondContact O-CD1 3.28Å
217I88.8Confident90.3Very high33 Ų3371 Ų7117%0.16937%0.373CS..Hα-helixtrans-70.6-50.1179.1-64.2169.4000110.3L203 K207 I212 T213 E214 E215 T219 C220 I224 F427L203-I217 HydrophobicContact CD1-CD1 3.91Å; L203-I217 HydrophobicContact CD1-CG1 4.1Å; L203-I217 HydrophobicContact CD2-CD1 4.42Å; L203-I217 HydrophobicContact CG-CD1 4.18Å; K207-I217 HydrophobicContact CD-CD1 4.2Å; I212-I217 HydrophobicContact CG2-CD1 4.23Å; I212-I217 HydrophobicContact CG2-CG1 3.93Å; T213-I217 PolarHBondContact O-N 3.08Å; E214-I217 WeakPolarHBondContact O-CB 3.32Å; E214-I217 PolarHBondContact O-N 2.82Å; E215-I217 VanDerWaalsContact C-N 3.27Å; E215-I217 PolarHBondContact O-N 3.44Å; I217-T219 VanDerWaalsContact C-N 3.3Å; I217-T219 PolarHBondContact O-N 2.61Å; I217-C220 PolarHBondContact O-N 3.45Å; I217-C220 VanDerWaalsContact O-N 3.12Å; I217-I224 HydrophobicContact CG1-CD1 3.97Å; I217-F427 HydrophobicContact CG2-CD1 4.23Å; I217-F427 HydrophobicContact CG2-CE1 4.09Å
218E86.5Confident90.3Very high147 Ų14766.3 Ų66.369%0.68735%0.353SS*.Hα-helixtrans-62-36.5-178.4-71.8178.4175.100112.6E214 E215 C220E214-E218 HydrophobicContact CG-CG 4.29Å; E214-E218 WeakPolarHBondContact O-CG 3.37Å; E214-E218 PolarHBondContact O-N 3.43Å; E215-E218 PolarHBondContact O-N 3.03Å; E218-C220 VanDerWaalsContact C-N 3.33Å
219T85.4Confident90.3Very high89 Ų8957.1 Ų57.155%0.54631%0.313SS..THydrogen-bonded Turntrans-87.1-1.4178.659.90000113.7E215 I217 D221E215-T219 HydrophobicContact CG-CG2 4.42Å; E215-T219 WeakPolarHBondContact O-CB 3.33Å; E215-T219 WeakPolarHBondContact O-CG2 3.46Å; E215-T219 PolarHBondContact O-N 3.27Å; E215-T219 PolarHBondContact O-OG1 2.89Å; I217-T219 VanDerWaalsContact C-N 3.3Å; I217-T219 PolarHBondContact O-N 2.61Å; T219-D221 PolarHBondContact O-N 2.68Å
220C84.1Confident90.4Very high72 Ų7253.8 Ų53.849%0.48630%0.298SS..THydrogen-bonded Turntrans49.247.2-171.3-670000111.7Q216 I217 E218Q216-C220 PolarHBondContact O-N 3.13Å; I217-C220 PolarHBondContact O-N 3.45Å; I217-C220 VanDerWaalsContact O-N 3.12Å; E218-C220 VanDerWaalsContact C-N 3.33Å
221D86.7Confident90.6Very high47 Ų4751.1 Ų51.125%0.25127%0.27SS..  trans-54.3126.7-175.5-174.7-44.8000110.7Q216 T219 T223 I224Q216-D221 HydrophobicContact CB-CB 3.85Å; Q216-D221 HydrophobicContact CG-CB 4.01Å; Q216-D221 WeakPolarHBondContact O-CB 3.37Å; Q216-D221 PolarHBondContact O-N 2.74Å; T219-D221 PolarHBondContact O-N 2.68Å; D221-T223 PolarHBondContact O-N 3.36Å; D221-T223 VanDerWaalsContact OD1-CB 3.25Å; D221-T223 WeakPolarHBondContact OD1-CB 3.35Å; D221-T223 VanDerWaalsContact OD1-CG2 3.27Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.47Å; D221-T223 PolarHBondContact OD1-N 3.08Å; D221-T223 PolarHBondContact OD1-OG1 3.09Å; D221-I224 WeakPolarHBondContact O-CB 3.08Å; D221-I224 PolarHBondContact O-N 3.38Å
222P87.4Confident90.7Very high87 Ų8749.7 Ų49.757%0.56526%0.262SS*.THydrogen-bonded Turntrans-54.3-25.9-180-2734.7000114.6I224 M225 F226P222-I224 PolarHBondContact O-N 3.22Å; P222-M225 VanDerWaalsContact O-CB 3.31Å; P222-M225 WeakPolarHBondContact O-CB 3.26Å; P222-M225 PolarHBondContact O-N 3.23Å; P222-F226 WeakPolarHBondContact O-CD2 3.35Å
223T88.4Confident90.9Very high41 Ų4149.7 Ų49.725%0.25226%0.262SS..Hα-helixtrans-60.6-26.9176.158.70000112.8Q216 D221 M225 F226 S227Q216-T223 PolarHBondContact NE2-OG1 3.01Å; D221-T223 PolarHBondContact O-N 3.36Å; D221-T223 VanDerWaalsContact OD1-CB 3.25Å; D221-T223 WeakPolarHBondContact OD1-CB 3.35Å; D221-T223 VanDerWaalsContact OD1-CG2 3.27Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.47Å; D221-T223 PolarHBondContact OD1-N 3.08Å; D221-T223 PolarHBondContact OD1-OG1 3.09Å; T223-M225 VanDerWaalsContact C-N 3.26Å; T223-M225 PolarHBondContact O-N 3.26Å; T223-F226 PolarHBondContact O-N 3.49Å; T223-S227 WeakPolarHBondContact O-CB 3.37Å; T223-S227 PolarHBondContact O-N 3.43Å; T223-S227 PolarHBondContact O-OG 2.93Å
224I89.7Confident91.1Very high3 Ų346.6 Ų46.62%0.01524%0.243CC..Hα-helixtrans-63.5-34.3174.5-63.9-174.7000111.2I212 Q216 I217 D221 P222 F226 S227 L228 F427I212-I224 HydrophobicContact CG2-CD1 3.9Å; I212-I224 HydrophobicContact CG2-CG1 4.11Å; Q216-I224 VanDerWaalsContact C-CD1 3.4Å; Q216-I224 HydrophobicContact CB-CD1 3.78Å; Q216-I224 HydrophobicContact CB-CG1 4.08Å; Q216-I224 WeakPolarHBondContact O-CD1 3.28Å; I217-I224 HydrophobicContact CG1-CD1 3.97Å; D221-I224 WeakPolarHBondContact O-CB 3.08Å; D221-I224 PolarHBondContact O-N 3.38Å; P222-I224 PolarHBondContact O-N 3.22Å; I224-F226 PolarHBondContact O-N 3.23Å; I224-S227 WeakPolarHBondContact CA-OG 3.47Å; I224-S227 PolarHBondContact O-N 3.05Å; I224-L228 HydrophobicContact CG2-CB 4.03Å; I224-L228 HydrophobicContact CG2-CD2 4.26Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 PolarHBondContact O-N 2.98Å; I224-F427 HydrophobicContact CD1-CE1 4.37Å; I224-F427 HydrophobicContact CD1-CZ 4.45Å; I224-F427 HydrophobicContact CG2-CE1 4.41Å; I224-F427 HydrophobicContact CG2-CE2 4.12Å; I224-F427 HydrophobicContact CG2-CZ 3.54Å
225M86.8Confident91.4Very high97 Ų9742.8 Ų42.848%0.47823%0.226SC..Hα-helixtrans-62.9-25.5-179.8-62.2-175.261.500112.9P222 T223 P229 L423P222-M225 VanDerWaalsContact O-CB 3.31Å; P222-M225 WeakPolarHBondContact O-CB 3.26Å; P222-M225 PolarHBondContact O-N 3.23Å; T223-M225 VanDerWaalsContact C-N 3.26Å; T223-M225 PolarHBondContact O-N 3.26Å; M225-P229 VanDerWaalsContact O-CD 3.24Å; M225-P229 WeakPolarHBondContact O-CD 3.38Å; M225-P229 VanDerWaalsContact O-CG 3.23Å; M225-P229 WeakPolarHBondContact O-CG 3.48Å; M225-L423 HydrophobicContact CG-CD1 4.46Å
226F89.5Confident91.7Very high75 Ų7536.1 Ų36.133%0.32919%0.194SC..Hα-helixtrans-95.1-46.9177-55.5-76.6000112P222 T223 I224 R230 Q412P222-F226 WeakPolarHBondContact O-CD2 3.35Å; T223-F226 PolarHBondContact O-N 3.49Å; I224-F226 PolarHBondContact O-N 3.23Å; F226-R230 WeakPolarHBondContact O-CD 3.48Å; F226-R230 WeakPolarHBondContact O-CG 3.39Å; F226-R230 PolarHBondContact O-NE 3.44Å; F226-Q412 VanDerWaalsContact CE1-OE1 3.25Å
227S93.1Very high92.1Very high3 Ų334.5 Ų34.52%0.02119%0.187CC..Hα-helixtrans-69.4-41.2-174.753.40000112.8T223 I224 R230 L231T223-S227 WeakPolarHBondContact O-CB 3.37Å; T223-S227 PolarHBondContact O-N 3.43Å; T223-S227 PolarHBondContact O-OG 2.93Å; I224-S227 WeakPolarHBondContact CA-OG 3.47Å; I224-S227 PolarHBondContact O-N 3.05Å; S227-R230 WeakPolarHBondContact O-CB 3.35Å; S227-R230 PolarHBondContact O-N 3.42Å; S227-L231 WeakPolarHBondContact O-CB 3.5Å; S227-L231 VanDerWaalsContact O-CG 3.29Å; S227-L231 WeakPolarHBondContact O-CG 3.48Å; S227-L231 PolarHBondContact O-N 3.38Å
228L95.1Very high92.4Very high0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-66.2-47.7-174.8-175.661.6000112.8F199 T202 L203 I212 I224 R230 L231 A232 L423 F427F199-L228 HydrophobicContact CD1-CD2 4.11Å; F199-L228 HydrophobicContact CD1-CG 4.02Å; T202-L228 HydrophobicContact CG2-CD1 3.73Å; L203-L228 HydrophobicContact CB-CD1 3.94Å; L203-L228 HydrophobicContact CB-CD2 4.41Å; L203-L228 HydrophobicContact CD1-CD1 4.33Å; L203-L228 HydrophobicContact CD1-CD2 4.47Å; I212-L228 HydrophobicContact CD1-CD1 4.45Å; I224-L228 HydrophobicContact CG2-CB 4.03Å; I224-L228 HydrophobicContact CG2-CD2 4.26Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 PolarHBondContact O-N 2.98Å; L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 2.84Å; L228-L231 PolarHBondContact O-N 2.94Å; L228-A232 VanDerWaalsContact O-CB 3.28Å; L228-A232 WeakPolarHBondContact O-CB 3.49Å; L228-A232 PolarHBondContact O-N 3.35Å; L228-L423 HydrophobicContact CD2-CD2 3.88Å; L228-F427 HydrophobicContact CD2-CE2 4.49Å; L228-F427 HydrophobicContact CD2-CZ 4.3Å
229P95.7Very high92.8Very high0 Ų031 Ų310%017%0.174CC..Hα-helixtrans-59.3-38.4174.9-2332.5000113.2F199 M225 A232 I233 A408 W411 L419F199-P229 HydrophobicContact CE1-CB 4.13Å; F199-P229 HydrophobicContact CE1-CG 3.97Å; F199-P229 HydrophobicContact CZ-CB 4.06Å; F199-P229 HydrophobicContact CZ-CG 4.38Å; M225-P229 VanDerWaalsContact O-CD 3.24Å; M225-P229 WeakPolarHBondContact O-CD 3.38Å; M225-P229 VanDerWaalsContact O-CG 3.23Å; M225-P229 WeakPolarHBondContact O-CG 3.48Å; P229-A232 PolarHBondContact O-N 2.86Å; P229-I233 WeakPolarHBondContact O-CG1 3.34Å; P229-I233 PolarHBondContact O-N 2.93Å; P229-A408 HydrophobicContact CB-CB 4Å; P229-W411 HydrophobicContact CB-CE3 4.12Å; P229-W411 HydrophobicContact CB-CZ3 4.35Å; P229-L419 HydrophobicContact CG-CD1 4.26Å; P229-L419 HydrophobicContact CG-CD2 4.48Å
230R96.8Very high93.3Very high26 Ų2629.9 Ų29.910%0.09816%0.16CC..Hα-helixtrans-63.8-47.7177.7-70.3171.4-170172.81.3111.7F226 S227 L228 A232 I233 L287 I404 A408 D409F226-R230 WeakPolarHBondContact O-CD 3.48Å; F226-R230 WeakPolarHBondContact O-CG 3.39Å; F226-R230 PolarHBondContact O-NE 3.44Å; S227-R230 WeakPolarHBondContact O-CB 3.35Å; S227-R230 PolarHBondContact O-N 3.42Å; L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 2.84Å; R230-A232 VanDerWaalsContact C-N 3.31Å; R230-A232 PolarHBondContact O-N 3.13Å; R230-I233 PolarHBondContact O-N 3.48Å; R230-L287 HydrophobicContact CB-CB 4.17Å; R230-L287 HydrophobicContact CB-CD2 4.07Å; R230-I404 HydrophobicContact CB-CG2 4.17Å; R230-I404 VanDerWaalsContact O-CG2 3.31Å; R230-I404 WeakPolarHBondContact O-CG2 3.32Å; R230-A408 HydrophobicContact CG-CB 3.58Å; R230-D409 IonicContact NH2-OD1 2.97Å; R230-D409 PolarHBondContact NH2-OD1 3.42Å; R230-D409 IonicContact NH2-OD2 2.74Å
231L97.3Very high93.6Very high2 Ų229 Ų291%0.0115%0.153CC..Hα-helixtrans-66.4-33.9176.1-68.3173.7000112T202 A206 L211 I212 S227 L228 I233 V234 C235 E284 L287T202-L231 HydrophobicContact CG2-CB 3.65Å; A206-L231 HydrophobicContact CB-CD1 3.94Å; L211-L231 HydrophobicContact CB-CD1 4.41Å; L211-L231 HydrophobicContact CD1-CD1 4.38Å; L211-L231 HydrophobicContact CD1-CD2 4.13Å; I212-L231 HydrophobicContact CD1-CD1 4.28Å; S227-L231 WeakPolarHBondContact O-CB 3.5Å; S227-L231 VanDerWaalsContact O-CG 3.29Å; S227-L231 WeakPolarHBondContact O-CG 3.48Å; S227-L231 PolarHBondContact O-N 3.38Å; L228-L231 PolarHBondContact O-N 2.94Å; L231-I233 VanDerWaalsContact C-N 3.32Å; L231-I233 PolarHBondContact O-N 3.4Å; L231-V234 PolarHBondContact O-N 3.12Å; L231-C235 WeakPolarHBondContact O-CB 3.47Å; L231-C235 PolarHBondContact O-N 3.48Å; L231-C235 PolarHBondContact O-SG 3.47Å; L231-E284 HydrophobicContact CD2-CB 4.22Å; L231-E284 HydrophobicContact CD2-CG 4.42Å; L231-L287 HydrophobicContact CD2-CB 4.07Å
232A97.3Very high93.8Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-66.1-34.2179.800000112L198 F199 T202 L228 P229 R230 C235 G236L198-A232 HydrophobicContact CG-CB 4.45Å; F199-A232 HydrophobicContact CD2-CB 3.57Å; F199-A232 HydrophobicContact CE2-CB 3.48Å; F199-A232 VanDerWaalsContact CE2-CB 3.48Å; F199-A232 HydrophobicContact CG-CB 4.16Å; F199-A232 HydrophobicContact CZ-CB 4.02Å; T202-A232 HydrophobicContact CG2-CB 4.19Å; L228-A232 VanDerWaalsContact O-CB 3.28Å; L228-A232 WeakPolarHBondContact O-CB 3.49Å; L228-A232 PolarHBondContact O-N 3.35Å; P229-A232 PolarHBondContact O-N 2.86Å; R230-A232 VanDerWaalsContact C-N 3.31Å; R230-A232 PolarHBondContact O-N 3.13Å; A232-C235 PolarHBondContact O-N 3.26Å; A232-G236 PolarHBondContact O-N 3.36Å
233I97.2Very high94Very high0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-61.2-48.1172.4-67.7163.9000110.6P229 R230 L231 G236 L237 L245 L265 I404 I407 A408 W411P229-I233 WeakPolarHBondContact O-CG1 3.34Å; P229-I233 PolarHBondContact O-N 2.93Å; R230-I233 PolarHBondContact O-N 3.48Å; L231-I233 VanDerWaalsContact C-N 3.32Å; L231-I233 PolarHBondContact O-N 3.4Å; I233-G236 PolarHBondContact O-N 3.46Å; I233-L237 HydrophobicContact CG2-CD1 3.88Å; I233-L237 WeakPolarHBondContact O-CB 3.48Å; I233-L237 VanDerWaalsContact O-CG 3.26Å; I233-L237 WeakPolarHBondContact O-CG 3.41Å; I233-L237 PolarHBondContact O-N 3.42Å; I233-L237 VanDerWaalsContact O-N 3.09Å; I233-L245 HydrophobicContact CG2-CD2 4.4Å; I233-L265 HydrophobicContact CG2-CD2 3.88Å; I233-I404 HydrophobicContact CB-CG2 4.05Å; I233-I404 HydrophobicContact CD1-CG2 3.98Å; I233-I404 HydrophobicContact CG2-CG1 4.17Å; I233-I404 HydrophobicContact CG2-CG2 4.2Å; I233-I407 HydrophobicContact CD1-CB 3.96Å; I233-I407 HydrophobicContact CD1-CG2 3.79Å; I233-A408 HydrophobicContact CD1-CB 4.24Å; I233-W411 HydrophobicContact CD1-CH2 3.86Å; I233-W411 HydrophobicContact CD1-CZ2 4.23Å; I233-W411 HydrophobicContact CD1-CZ3 4.13Å; I233-W411 HydrophobicContact CG1-CH2 3.38Å; I233-W411 HydrophobicContact CG1-CZ2 4.06Å; I233-W411 HydrophobicContact CG1-CZ3 3.86Å
234V97.2Very high94.3Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-62.8-47.7178.2177.60000111L231 G236 L237 V238 M280 L287 I404L231-V234 PolarHBondContact O-N 3.12Å; V234-G236 PolarHBondContact O-N 3.37Å; V234-L237 PolarHBondContact O-N 3.47Å; V234-V238 PolarHBondContact O-N 3.41Å; V234-V238 VanDerWaalsContact O-N 3.15Å; V234-M280 HydrophobicContact CG1-SD 3.84Å; V234-L287 HydrophobicContact CG2-CD1 3.41Å; V234-L287 VanDerWaalsContact CG2-CD1 3.41Å; V234-I404 HydrophobicContact CG2-CD1 3.72Å
235C97.2Very high94.5Very high1 Ų128.1 Ų28.11%0.00715%0.147CC..Iπ-helixtrans-62.5-44.6-179.5-68.30000111.4L198 T202 L231 A232 L237 I239 Y240L198-C235 HydrophobicContact CD1-CB 4.36Å; T202-C235 HydrophobicContact CG2-CB 4.36Å; T202-C235 WeakPolarHBondContact OG1-CB 3.26Å; L231-C235 WeakPolarHBondContact O-CB 3.47Å; L231-C235 PolarHBondContact O-N 3.48Å; L231-C235 PolarHBondContact O-SG 3.47Å; A232-C235 PolarHBondContact O-N 3.26Å; C235-L237 PolarHBondContact O-N 2.88Å; C235-I239 HydrophobicContact CB-CB 4.42Å; C235-I239 CarbonylContact O-C 3.6Å; C235-I239 WeakPolarHBondContact O-CA 3.29Å; C235-I239 WeakPolarHBondContact O-CB 3.48Å; C235-I239 PolarHBondContact O-N 2.75Å; C235-Y240 HydrophobicContact CB-CD2 3.87Å; C235-Y240 HydrophobicContact CB-CE2 3.93Å; C235-Y240 PolarHBondContact O-N 2.89Å
236G97Very high94.7Very high0 Ų024.7 Ų24.70%013%0.131CC..Iπ-helixtrans-67.8-31.2-179.500000114.1A232 I233 V234A232-G236 PolarHBondContact O-N 3.36Å; I233-G236 PolarHBondContact O-N 3.46Å; V234-G236 PolarHBondContact O-N 3.37Å
237L96.8Very high94.8Very high2 Ų221.5 Ų21.51%0.0112%0.117CC..Iπ-helixtrans-82.3-31.2179.9-67.3174.3000113.7I233 V234 C235 L245 M247 L265 I268 K269 L272I233-L237 HydrophobicContact CG2-CD1 3.88Å; I233-L237 WeakPolarHBondContact O-CB 3.48Å; I233-L237 VanDerWaalsContact O-CG 3.26Å; I233-L237 WeakPolarHBondContact O-CG 3.41Å; I233-L237 PolarHBondContact O-N 3.42Å; I233-L237 VanDerWaalsContact O-N 3.09Å; V234-L237 PolarHBondContact O-N 3.47Å; C235-L237 PolarHBondContact O-N 2.88Å; L237-L245 HydrophobicContact CD2-CB 4.03Å; L237-L245 HydrophobicContact CD2-CD2 3.92Å; L237-L245 HydrophobicContact CD2-CG 4.48Å; L237-L245 HydrophobicContact CG-CB 4.48Å; L237-L245 HydrophobicContact CG-CD2 3.82Å; L237-M247 HydrophobicContact CD2-CE 4.26Å; L237-M247 HydrophobicContact CD2-CG 4.14Å; L237-M247 HydrophobicContact CD2-SD 4.48Å; L237-L265 HydrophobicContact CD1-CD2 4.16Å; L237-L265 HydrophobicContact CD2-CB 4.24Å; L237-I268 HydrophobicContact CD1-CB 4.12Å; L237-I268 HydrophobicContact CD1-CG2 3.65Å; L237-K269 HydrophobicContact CB-CB 4.33Å; L237-K269 HydrophobicContact CB-CG 4.4Å; L237-K269 HydrophobicContact CD1-CB 4.47Å; L237-K269 HydrophobicContact CD2-CB 4.19Å; L237-L272 HydrophobicContact CB-CD1 4.22Å; L237-L272 HydrophobicContact CD1-CD1 4.04Å
238V95.3Very high94.6Very high39 Ų3927.8 Ų27.824%0.23615%0.15CC..Iπ-helixtrans-120.6-43.9-170.1-177.10000113.4V234 L272 L273V234-V238 PolarHBondContact O-N 3.41Å; V234-V238 VanDerWaalsContact O-N 3.15Å; V238-L272 HydrophobicContact CG2-CB 3.66Å; V238-L272 HydrophobicContact CG2-CD1 3.86Å; V238-L272 HydrophobicContact CG2-CG 4.38Å; V238-L273 HydrophobicContact CG1-CD2 4.41Å
239I94.6Very high94.3Very high67 Ų6730.5 Ų30.534%0.34416%0.161SC..Iπ-helixtrans-87.5-40-170.6-53.6-60.9000111.5C235 P241C235-I239 HydrophobicContact CB-CB 4.42Å; C235-I239 CarbonylContact O-C 3.6Å; C235-I239 WeakPolarHBondContact O-CA 3.29Å; C235-I239 WeakPolarHBondContact O-CB 3.48Å; C235-I239 PolarHBondContact O-N 2.75Å; I239-P241 VanDerWaalsContact O-CD 3.25Å; I239-P241 WeakPolarHBondContact O-CD 3.43Å
240Y95Very high94.1Very high65 Ų6533.8 Ų33.826%0.25518%0.182SC..SBendtrans-119.262-179.5-52.5-67.5000110.3L198 E201 C235 D242 G243L198-Y240 HydrophobicContact CD1-CD2 3.86Å; E201-Y240 HydrophobicContact CB-CE1 4.39Å; E201-Y240 HydrophobicContact CB-CE2 3.91Å; E201-Y240 WeakPolarHBondContact OE2-CD1 3.49Å; E201-Y240 WeakPolarHBondContact OE2-CE1 3.46Å; C235-Y240 HydrophobicContact CB-CD2 3.87Å; C235-Y240 HydrophobicContact CB-CE2 3.93Å; C235-Y240 PolarHBondContact O-N 2.89Å; Y240-D242 PolarHBondContact O-N 3.12Å; Y240-D242 VanDerWaalsContact O-N 3.1Å; Y240-G243 PolarHBondContact O-N 2.67Å
241P90.9Very high93.6Very high54 Ų5437.7 Ų37.735%0.35120%0.202SC..THydrogen-bonded Turntrans-65-18.4-170.928.8-37.2000113.6I239 G243 N246I239-P241 VanDerWaalsContact O-CD 3.25Å; I239-P241 WeakPolarHBondContact O-CD 3.43Å; P241-G243 VanDerWaalsContact C-N 3.33Å; P241-N246 WeakPolarHBondContact O-CB 3.03Å; P241-N246 VanDerWaalsContact O-CG 3.25Å; P241-N246 PolarHBondContact O-ND2 2.99Å
242D91.2Very high93.1Very high130 Ų13043.3 Ų43.370%0.69523%0.228SC*.THydrogen-bonded Turntrans-84.9-4.8177.1-63.5-40.9000113.3Y240 R249Y240-D242 PolarHBondContact O-N 3.12Å; Y240-D242 VanDerWaalsContact O-N 3.1Å; D242-R249 PolarHBondContact O-NH2 3.21Å
243G92.1Very high92.7Very high18 Ų1845.8 Ų45.819%0.18624%0.241CC..SBendtrans-83.3-158.1-17600000115.2Y240 P241 L245 N246 R249Y240-G243 PolarHBondContact O-N 2.67Å; P241-G243 VanDerWaalsContact C-N 3.33Å; G243-L245 PolarHBondContact O-N 3.37Å; G243-N246 VanDerWaalsContact O-CB 3.24Å; G243-N246 WeakPolarHBondContact O-CB 3.49Å; G243-N246 PolarHBondContact O-N 2.97Å; G243-R249 VanDerWaalsContact O-CZ 3.29Å; G243-R249 PolarHBondContact O-NH2 3.44Å
244P93.8Very high92.4Very high10 Ų1045.9 Ų45.97%0.06524%0.241CC..THydrogen-bonded Turntrans-68.9-18.8-173.627.5-35.8000114.1E194 M195 L198 N246 L258E194-P244 HydrophobicContact CB-CB 3.96Å; E194-P244 HydrophobicContact CB-CG 4.25Å; M195-P244 HydrophobicContact SD-CB 3.73Å; M195-P244 HydrophobicContact SD-CG 3.76Å; L198-P244 HydrophobicContact CB-CG 3.85Å; L198-P244 HydrophobicContact CD2-CG 3.74Å; L198-P244 HydrophobicContact CG-CG 4.4Å; P244-N246 VanDerWaalsContact C-N 3.32Å; P244-L258 HydrophobicContact CB-CD1 4.37Å; P244-L258 VanDerWaalsContact O-CD1 3.27Å; P244-L258 WeakPolarHBondContact O-CD1 3.49Å
245L93.9Very high92.1Very high1 Ų146.3 Ų46.31%0.00525%0.245CC..THydrogen-bonded Turntrans-94.521.3173.4-83.182.6000112.6M195 L198 I233 L237 G243 M247 L258 L265M195-L245 HydrophobicContact SD-CD1 4.28Å; L198-L245 HydrophobicContact CD2-CD1 3.42Å; L198-L245 VanDerWaalsContact CD2-CD1 3.42Å; I233-L245 HydrophobicContact CG2-CD2 4.4Å; L237-L245 HydrophobicContact CD2-CB 4.03Å; L237-L245 HydrophobicContact CD2-CD2 3.92Å; L237-L245 HydrophobicContact CD2-CG 4.48Å; L237-L245 HydrophobicContact CG-CB 4.48Å; L237-L245 HydrophobicContact CG-CD2 3.82Å; G243-L245 PolarHBondContact O-N 3.37Å; L245-M247 HydrophobicContact CB-CE 4.13Å; L245-M247 HydrophobicContact CG-CE 4.48Å; L245-M247 WeakPolarHBondContact O-CE 3.23Å; L245-M247 PolarHBondContact O-N 3.15Å; L245-L258 HydrophobicContact CD1-CD1 3.78Å; L245-L258 HydrophobicContact CD1-CD2 3.98Å; L245-L258 HydrophobicContact CG-CD1 4.1Å; L245-L258 HydrophobicContact CG-CD2 4.28Å; L245-L265 HydrophobicContact CD2-CD2 4.18Å
246N92.8Very high91.8Very high25 Ų2550.1 Ų50.113%0.13426%0.262CS..  trans-68.7103.1168-173.9-18.8000110.6P241 G243 P244 D248 R249P241-N246 WeakPolarHBondContact O-CB 3.03Å; P241-N246 VanDerWaalsContact O-CG 3.25Å; P241-N246 PolarHBondContact O-ND2 2.99Å; G243-N246 VanDerWaalsContact O-CB 3.24Å; G243-N246 WeakPolarHBondContact O-CB 3.49Å; G243-N246 PolarHBondContact O-N 2.97Å; P244-N246 VanDerWaalsContact C-N 3.32Å; N246-D248 PolarHBondContact O-N 2.87Å; N246-D248 WeakPolarHBondContact OD1-CB 3.47Å; N246-D248 PolarHBondContact OD1-N 2.86Å; N246-D248 PolarHBondContact OD1-OD2 3.39Å; N246-R249 HydrophobicContact CB-CG 3.87Å; N246-R249 WeakPolarHBondContact O-CB 3.32Å; N246-R249 PolarHBondContact O-N 3.06Å
247M89.8Confident91.5Very high8 Ų850.2 Ų50.24%0.03926%0.263CS..THydrogen-bonded Turntrans-69.4-13.1-177.8-62.1-60.9101.100114.4L237 L245 R249 M254 R262 L265 E266 K269L237-M247 HydrophobicContact CD2-CE 4.26Å; L237-M247 HydrophobicContact CD2-CG 4.14Å; L237-M247 HydrophobicContact CD2-SD 4.48Å; L245-M247 HydrophobicContact CB-CE 4.13Å; L245-M247 HydrophobicContact CG-CE 4.48Å; L245-M247 WeakPolarHBondContact O-CE 3.23Å; L245-M247 PolarHBondContact O-N 3.15Å; M247-R249 VanDerWaalsContact C-N 3.27Å; M247-M254 HydrophobicContact CE-CE 3.73Å; M247-M254 HydrophobicContact SD-CE 4.41Å; M247-R262 PolarHBondContact O-NH2 3.03Å; M247-R262 HydrophobicContact SD-CG 4.44Å; M247-L265 HydrophobicContact CE-CB 4.33Å; M247-L265 HydrophobicContact CE-CD1 4.28Å; M247-L265 HydrophobicContact SD-CB 3.71Å; M247-E266 HydrophobicContact CB-CG 3.79Å; M247-E266 HydrophobicContact CG-CG 3.82Å; M247-E266 HydrophobicContact SD-CG 3.97Å; M247-K269 HydrophobicContact CG-CD 4.3Å
248D89.2Confident91.3Very high135 Ų13550.1 Ų50.172%0.72226%0.262SS*.THydrogen-bonded Turntrans-80.7-11.6176.6-54.4-47.7000111.8N246N246-D248 PolarHBondContact O-N 2.87Å; N246-D248 WeakPolarHBondContact OD1-CB 3.47Å; N246-D248 PolarHBondContact OD1-N 2.86Å; N246-D248 PolarHBondContact OD1-OD2 3.39Å
249R89.5Confident91.1Very high57 Ų5751 Ų5122%0.21526%0.261CS..SBendtrans-71.6149.6176.9-66178.8-179.5-166.72.7112E194 D242 G243 N246 M247 R262E194-R249 IonicContact OE1-NH1 3.43Å; E194-R249 IonicContact OE2-CZ 3.96Å; E194-R249 IonicContact OE2-NH1 3.4Å; E194-R249 PolarHBondContact OE2-NH1 3.37Å; E194-R249 IonicContact OE2-NH2 2.96Å; D242-R249 PolarHBondContact O-NH2 3.21Å; G243-R249 VanDerWaalsContact O-CZ 3.29Å; G243-R249 PolarHBondContact O-NH2 3.44Å; N246-R249 HydrophobicContact CB-CG 3.87Å; N246-R249 WeakPolarHBondContact O-CB 3.32Å; N246-R249 PolarHBondContact O-N 3.06Å; M247-R249 VanDerWaalsContact C-N 3.27Å; R249-R262 PolarHBondContact O-NH1 3.37Å; R249-R262 PolarHBondContact O-NH2 3.24Å
250P90.4Very high91Very high70 Ų7050.6 Ų50.646%0.45526%0.263SS..  trans-57.4147169.2-24.634.3000112.1E252 N253P250-E252 HydrophobicContact CB-CG 3.81Å; P250-E252 PolarHBondContact O-N 3.4Å; P250-N253 WeakPolarHBondContact O-CB 3.36Å; P250-N253 PolarHBondContact O-N 3.22Å
251Q87.1Confident90.9Very high108 Ų10847.8 Ų47.851%0.50525%0.252SS..G310 helixtrans-60.7-33.1-176-171.3170.8-40.400113N253 M254 R259 R262Q251-N253 PolarHBondContact O-N 2.72Å; Q251-M254 WeakPolarHBondContact O-CB 3.29Å; Q251-M254 PolarHBondContact O-N 3.31Å; Q251-M254 VanDerWaalsContact O-N 3.1Å; Q251-R259 HydrophobicContact CG-CG 4.16Å; Q251-R259 PolarHBondContact O-NE 3.05Å; Q251-R262 VanDerWaalsContact N-NH1 3.16Å
252E86.8Confident91Very high119 Ų11947.6 Ų47.656%0.55624%0.244SC*.G310 helixtrans-63.8-21.6175.354.8176.7-113.500114R187 P250 M254 R259R187-E252 IonicContact NH2-OE1 2.84Å; R187-E252 PolarHBondContact NH2-OE1 3.05Å; P250-E252 HydrophobicContact CB-CG 3.81Å; P250-E252 PolarHBondContact O-N 3.4Å; E252-M254 VanDerWaalsContact C-N 3.34Å; E252-R259 PolarHBondContact O-NH2 2.95Å
253N89.7Confident91Very high53 Ų5349.2 Ų49.228%0.28324%0.24SC..G310 helixtrans-95.612.9175.5-70.3-30.7000112.4R187 L191 P250 Q251R187-N253 PolarHBondContact NH2-OD1 2.74Å; L191-N253 VanDerWaalsContact CD2-O 3.29Å; L191-N253 WeakPolarHBondContact CD2-O 3.27Å; P250-N253 WeakPolarHBondContact O-CB 3.36Å; P250-N253 PolarHBondContact O-N 3.22Å; Q251-N253 PolarHBondContact O-N 2.72Å
254M90.9Very high90.9Very high1 Ų149.6 Ų49.61%0.00524%0.238CC..SBendtrans-100.9141.2172.8-61.5-178.168.300109.9M247 Q251 E252 L258 R259 R262M247-M254 HydrophobicContact CE-CE 3.73Å; M247-M254 HydrophobicContact SD-CE 4.41Å; Q251-M254 WeakPolarHBondContact O-CB 3.29Å; Q251-M254 PolarHBondContact O-N 3.31Å; Q251-M254 VanDerWaalsContact O-N 3.1Å; E252-M254 VanDerWaalsContact C-N 3.34Å; M254-L258 HydrophobicContact CE-CB 3.78Å; M254-R259 HydrophobicContact CB-CG 3.95Å; M254-R259 PolarHBondContact O-NE 3.1Å; M254-R259 PolarHBondContact O-NH2 2.97Å; M254-R259 VanDerWaalsContact O-NH2 3.1Å; M254-R262 HydrophobicContact CE-CB 4.33Å; M254-R262 HydrophobicContact CE-CG 4.33Å; M254-R262 HydrophobicContact SD-CB 4.39Å; M254-R262 HydrophobicContact SD-CG 4.07Å
255C91.3Very high91Very high10 Ų1049.1 Ų49.17%0.06824%0.235CC..  trans-54.7139.9168.9-178.30000110.1L191 M195 M257 L258 R259L191-C255 HydrophobicContact CB-CB 4.36Å; M195-C255 HydrophobicContact CG-CB 4.01Å; M195-C255 HydrophobicContact SD-CB 4.43Å; C255-M257 PolarHBondContact O-N 3.25Å; C255-M257 VanDerWaalsContact O-N 3.12Å; C255-L258 HydrophobicContact CB-CD1 4.32Å; C255-L258 HydrophobicContact CB-CG 4.26Å; C255-L258 WeakPolarHBondContact O-CB 3.44Å; C255-L258 PolarHBondContact O-N 3.34Å; C255-R259 PolarHBondContact O-N 3.11Å
256E90Very high90.9Very high81 Ų8152.3 Ų52.338%0.37925%0.25SS..THydrogen-bonded Turntrans-52.9-34.3-179.7-73.2-70.3171.400112.6L258 R259 P260 Y415E256-L258 PolarHBondContact O-N 2.99Å; E256-R259 PolarHBondContact O-N 3.21Å; E256-R259 IonicContact OE1-CZ 3.69Å; E256-R259 IonicContact OE1-NH1 2.75Å; E256-R259 PolarHBondContact OE1-NH1 2.94Å; E256-R259 IonicContact OE1-NH2 3.62Å; E256-R259 IonicContact OE2-CZ 2.61Å; E256-R259 IonicContact OE2-NH1 2.74Å; E256-R259 PolarHBondContact OE2-NH1 2.73Å; E256-P260 VanDerWaalsContact O-CD 3.24Å; E256-P260 WeakPolarHBondContact O-CD 3.48Å; E256-Y415 PolarHBondContact O-OH 3.11Å
257M90.6Very high90.8Very high2 Ų253.4 Ų53.41%0.0125%0.253CS..THydrogen-bonded Turntrans-60.9-26.7176.4-61.3177.367.600113.3C255 F261 W411 Y415 D418 L419C255-M257 PolarHBondContact O-N 3.25Å; C255-M257 VanDerWaalsContact O-N 3.12Å; M257-F261 VanDerWaalsContact O-CD2 3.3Å; M257-F261 WeakPolarHBondContact O-CD2 3.44Å; M257-F261 WeakPolarHBondContact O-CE2 3.28Å; M257-W411 HydrophobicContact CE-CB 4.03Å; M257-W411 HydrophobicContact CE-CD2 4.32Å; M257-W411 HydrophobicContact CE-CG 4.09Å; M257-W411 PolarHBondContact O-NE1 3.13Å; M257-Y415 HydrophobicContact CB-CD2 4.33Å; M257-Y415 HydrophobicContact CB-CG 4.35Å; M257-Y415 HydrophobicContact CG-CD1 3.95Å; M257-Y415 HydrophobicContact CG-CD2 4.23Å; M257-Y415 HydrophobicContact CG-CG 3.75Å; M257-D418 HydrophobicContact CG-CB 4.27Å; M257-D418 HydrophobicContact SD-CB 3.67Å; M257-L419 HydrophobicContact CE-CB 4.03Å; M257-L419 HydrophobicContact CE-CD1 4.29Å
258L92.5Very high91Very high0 Ų053.1 Ų53.10%025%0.252CS..THydrogen-bonded Turntrans-95-30.1-175.9-57.6-179.1000113M195 P244 L245 M254 C255 E256 P260 F261 R262 L265 W411M195-L258 HydrophobicContact CE-CD2 4.03Å; M195-L258 HydrophobicContact CE-CG 4.46Å; M195-L258 HydrophobicContact SD-CD1 3.81Å; M195-L258 HydrophobicContact SD-CD2 4.3Å; M195-L258 HydrophobicContact SD-CG 4.18Å; P244-L258 HydrophobicContact CB-CD1 4.37Å; P244-L258 VanDerWaalsContact O-CD1 3.27Å; P244-L258 WeakPolarHBondContact O-CD1 3.49Å; L245-L258 HydrophobicContact CD1-CD1 3.78Å; L245-L258 HydrophobicContact CD1-CD2 3.98Å; L245-L258 HydrophobicContact CG-CD1 4.1Å; L245-L258 HydrophobicContact CG-CD2 4.28Å; M254-L258 HydrophobicContact CE-CB 3.78Å; C255-L258 HydrophobicContact CB-CD1 4.32Å; C255-L258 HydrophobicContact CB-CG 4.26Å; C255-L258 WeakPolarHBondContact O-CB 3.44Å; C255-L258 PolarHBondContact O-N 3.34Å; E256-L258 PolarHBondContact O-N 2.99Å; L258-P260 VanDerWaalsContact C-CD 3.47Å; L258-F261 PolarHBondContact O-N 3.13Å; L258-R262 PolarHBondContact O-N 3.08Å; L258-L265 HydrophobicContact CD2-CD1 4.42Å; L258-W411 HydrophobicContact CD2-CH2 3.79Å; L258-W411 HydrophobicContact CD2-CZ2 3.23Å
259R91.9Very high91.3Very high58 Ų5848.6 Ų48.622%0.21923%0.226CC..G310 helixtrans-54.5-43.3-171.2-68.1179.4-170.3171.310.7113.9Q251 E252 M254 C255 E256 F261 R262Q251-R259 HydrophobicContact CG-CG 4.16Å; Q251-R259 PolarHBondContact O-NE 3.05Å; E252-R259 PolarHBondContact O-NH2 2.95Å; M254-R259 HydrophobicContact CB-CG 3.95Å; M254-R259 PolarHBondContact O-NE 3.1Å; M254-R259 PolarHBondContact O-NH2 2.97Å; M254-R259 VanDerWaalsContact O-NH2 3.1Å; C255-R259 PolarHBondContact O-N 3.11Å; E256-R259 PolarHBondContact O-N 3.21Å; E256-R259 IonicContact OE1-CZ 3.69Å; E256-R259 IonicContact OE1-NH1 2.75Å; E256-R259 PolarHBondContact OE1-NH1 2.94Å; E256-R259 IonicContact OE1-NH2 3.62Å; E256-R259 IonicContact OE2-CZ 2.61Å; E256-R259 IonicContact OE2-NH1 2.74Å; E256-R259 PolarHBondContact OE2-NH1 2.73Å; R259-F261 PolarHBondContact O-N 3.06Å; R259-F261 VanDerWaalsContact O-N 3.17Å; R259-R262 PolarHBondContact O-N 3.2Å
260P92Very high91.5Very high57 Ų5750.3 Ų50.337%0.3724%0.239SC..G310 helixtrans-62-23.5178.4-22.433.4000113.8E256 L258 Y415E256-P260 VanDerWaalsContact O-CD 3.24Å; E256-P260 WeakPolarHBondContact O-CD 3.48Å; L258-P260 VanDerWaalsContact C-CD 3.47Å; P260-Y415 WeakPolarHBondContact CG-OH 3.41Å
261F93.3Very high91.6Very high7 Ų747.3 Ų47.33%0.03122%0.219CC..G310 helixtrans-104.10.1-171.6-53.1-71.5000114M257 L258 R259 R263 L264 L265 I407 Q410 W411M257-F261 VanDerWaalsContact O-CD2 3.3Å; M257-F261 WeakPolarHBondContact O-CD2 3.44Å; M257-F261 WeakPolarHBondContact O-CE2 3.28Å; L258-F261 PolarHBondContact O-N 3.13Å; R259-F261 PolarHBondContact O-N 3.06Å; R259-F261 VanDerWaalsContact O-N 3.17Å; F261-R263 PolarHBondContact O-N 3.33Å; F261-L264 CarbonylContact O-C 3.54Å; F261-L264 WeakPolarHBondContact O-CA 3.33Å; F261-L264 WeakPolarHBondContact O-CB 3.48Å; F261-L264 PolarHBondContact O-N 2.96Å; F261-L265 HydrophobicContact CB-CD1 3.98Å; F261-L265 HydrophobicContact CB-CG 4.02Å; F261-L265 WeakPolarHBondContact O-CG 3.47Å; F261-L265 PolarHBondContact O-N 3.36Å; F261-I407 HydrophobicContact CB-CD1 4.34Å; F261-I407 HydrophobicContact CB-CG1 4.49Å; F261-I407 HydrophobicContact CB-CG2 4.35Å; F261-I407 HydrophobicContact CD1-CB 4.47Å; F261-I407 HydrophobicContact CD1-CG1 3.88Å; F261-I407 HydrophobicContact CD1-CG2 4.15Å; F261-I407 HydrophobicContact CD2-CG2 4Å; F261-I407 HydrophobicContact CE1-CG1 4.44Å; F261-I407 HydrophobicContact CE2-CG2 4.39Å; F261-I407 HydrophobicContact CG-CG1 4.25Å; F261-I407 HydrophobicContact CG-CG2 3.88Å; F261-Q410 HydrophobicContact CE1-CB 4.13Å; F261-Q410 HydrophobicContact CZ-CB 3.66Å; F261-Q410 HydrophobicContact CZ-CG 4.47Å; F261-Q410 VanDerWaalsContact CZ-OE1 3.3Å; F261-W411 AromaticContact CD2-NE1 3.59Å; F261-W411 AromaticContact CE2-CD1 3.65Å; F261-W411 AromaticContact CE2-NE1 3.51Å
262R92.4Very high92Very high49 Ų4942.2 Ų42.219%0.18520%0.195CC..Hα-helixtrans-45.9-55.2-171.6-178.7-177.4179.214319113.5M247 R249 Q251 M254 L258 R259 L264 L265 E266M247-R262 PolarHBondContact O-NH2 3.03Å; M247-R262 HydrophobicContact SD-CG 4.44Å; R249-R262 PolarHBondContact O-NH1 3.37Å; R249-R262 PolarHBondContact O-NH2 3.24Å; Q251-R262 VanDerWaalsContact N-NH1 3.16Å; M254-R262 HydrophobicContact CE-CB 4.33Å; M254-R262 HydrophobicContact CE-CG 4.33Å; M254-R262 HydrophobicContact SD-CB 4.39Å; M254-R262 HydrophobicContact SD-CG 4.07Å; L258-R262 PolarHBondContact O-N 3.08Å; R259-R262 PolarHBondContact O-N 3.2Å; R262-L264 VanDerWaalsContact C-N 3.29Å; R262-L264 PolarHBondContact O-N 3.5Å; R262-L265 PolarHBondContact O-N 2.98Å; R262-E266 WeakPolarHBondContact CG-OE1 3.33Å; R262-E266 IonicContact CZ-OE1 3.16Å; R262-E266 IonicContact NE-OE1 2.66Å; R262-E266 PolarHBondContact NE-OE1 2.95Å; R262-E266 IonicContact NH2-OE1 2.74Å; R262-E266 WeakPolarHBondContact O-CG 3.44Å; R262-E266 PolarHBondContact O-N 3.3Å
263R90.7Very high92.3Very high164 Ų16441.5 Ų41.562%0.61920%0.195SC*.Hα-helixtrans-61.7-35.8-179.1-68.4-177.3179.3177.1-1.2112.8F261 K267 E348F261-R263 PolarHBondContact O-N 3.33Å; R263-K267 WeakPolarHBondContact O-CG 3.32Å; R263-K267 PolarHBondContact O-N 3.3Å; R263-E348 IonicContact CZ-OE1 2.68Å; R263-E348 IonicContact NH1-OE1 2.76Å; R263-E348 PolarHBondContact NH1-OE1 3.46Å
264L91.1Very high92.4Very high26 Ų2640.2 Ų40.214%0.13619%0.189CC..Hα-helixtrans-72.7-41.7178.1-177.758.7000110.7F261 R262 E266 K267 I268 V350 I354 I407F261-L264 CarbonylContact O-C 3.54Å; F261-L264 WeakPolarHBondContact O-CA 3.33Å; F261-L264 WeakPolarHBondContact O-CB 3.48Å; F261-L264 PolarHBondContact O-N 2.96Å; R262-L264 VanDerWaalsContact C-N 3.29Å; R262-L264 PolarHBondContact O-N 3.5Å; L264-E266 PolarHBondContact O-N 2.84Å; L264-K267 PolarHBondContact O-N 3.03Å; L264-I268 HydrophobicContact CD1-CD1 4.4Å; L264-I268 HydrophobicContact CD1-CG1 4.49Å; L264-I268 HydrophobicContact CG-CD1 3.98Å; L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.1Å; L264-I268 PolarHBondContact O-N 3.43Å; L264-V350 HydrophobicContact CD2-CG1 4.28Å; L264-I354 HydrophobicContact CD1-CG2 4.14Å; L264-I407 HydrophobicContact CD2-CD1 3.73Å; L264-I407 HydrophobicContact CD2-CG1 3.83Å; L264-I407 HydrophobicContact CG-CD1 3.99Å
265L94.7Very high92.5Very high0 Ų041.1 Ų41.10%019%0.194CC..Hα-helixtrans-61.6-40.7174.9-70171.4000112I233 L237 L245 M247 L258 F261 R262 K267 I268 K269 I407I233-L265 HydrophobicContact CG2-CD2 3.88Å; L237-L265 HydrophobicContact CD1-CD2 4.16Å; L237-L265 HydrophobicContact CD2-CB 4.24Å; L245-L265 HydrophobicContact CD2-CD2 4.18Å; M247-L265 HydrophobicContact CE-CB 4.33Å; M247-L265 HydrophobicContact CE-CD1 4.28Å; M247-L265 HydrophobicContact SD-CB 3.71Å; L258-L265 HydrophobicContact CD2-CD1 4.42Å; F261-L265 HydrophobicContact CB-CD1 3.98Å; F261-L265 HydrophobicContact CB-CG 4.02Å; F261-L265 WeakPolarHBondContact O-CG 3.47Å; F261-L265 PolarHBondContact O-N 3.36Å; R262-L265 PolarHBondContact O-N 2.98Å; L265-K267 PolarHBondContact O-N 3.38Å; L265-I268 PolarHBondContact O-N 2.84Å; L265-K269 WeakPolarHBondContact O-CB 3.49Å; L265-K269 PolarHBondContact O-N 3.41Å; L265-I407 HydrophobicContact CD2-CD1 3.79Å; L265-I407 HydrophobicContact CG-CD1 4.27Å
266E92.3Very high92.6Very high69 Ų6944.4 Ų44.432%0.32221%0.21SC..Hα-helixtrans-58-46172.9-76.9166-171.500111.7M247 R262 L264 K269 L270M247-E266 HydrophobicContact CB-CG 3.79Å; M247-E266 HydrophobicContact CG-CG 3.82Å; M247-E266 HydrophobicContact SD-CG 3.97Å; R262-E266 WeakPolarHBondContact CG-OE1 3.33Å; R262-E266 IonicContact CZ-OE1 3.16Å; R262-E266 IonicContact NE-OE1 2.66Å; R262-E266 PolarHBondContact NE-OE1 2.95Å; R262-E266 IonicContact NH2-OE1 2.74Å; R262-E266 WeakPolarHBondContact O-CG 3.44Å; R262-E266 PolarHBondContact O-N 3.3Å; L264-E266 PolarHBondContact O-N 2.84Å; E266-K269 WeakPolarHBondContact O-CB 3.37Å; E266-K269 PolarHBondContact O-N 3.39Å; E266-L270 WeakPolarHBondContact O-CG 3.23Å; E266-L270 PolarHBondContact O-N 2.88Å; E266-L270 VanDerWaalsContact O-N 3.13Å
267K90.8Very high92.8Very high47 Ų4747.3 Ų47.320%0.20423%0.229CC..Hα-helixtrans-66.2-42.3176.8-70178.4179.6-171.90112.3R263 L264 L265 K269 L270 L271 I354 S355 I357R263-K267 WeakPolarHBondContact O-CG 3.32Å; R263-K267 PolarHBondContact O-N 3.3Å; L264-K267 PolarHBondContact O-N 3.03Å; L265-K267 PolarHBondContact O-N 3.38Å; K267-K269 VanDerWaalsContact C-N 3.34Å; K267-K269 PolarHBondContact O-N 2.93Å; K267-L270 PolarHBondContact O-N 3.32Å; K267-L271 WeakPolarHBondContact O-CG 3.45Å; K267-L271 PolarHBondContact O-N 3.16Å; K267-L271 VanDerWaalsContact O-N 3.15Å; K267-I354 HydrophobicContact CB-CG2 4.12Å; K267-I354 HydrophobicContact CD-CG2 3.54Å; K267-I354 WeakPolarHBondContact CD-O 3.36Å; K267-I354 WeakPolarHBondContact CE-O 3.48Å; K267-I354 HydrophobicContact CG-CG2 4.44Å; K267-I354 PolarHBondContact NZ-O 3.15Å; K267-S355 PolarHBondContact NZ-O 3.03Å; K267-I357 HydrophobicContact CB-CD1 4.08Å; K267-I357 HydrophobicContact CD-CB 4.41Å; K267-I357 HydrophobicContact CD-CD1 4.14Å; K267-I357 HydrophobicContact CG-CD1 4.03Å
268I94.5Very high93Very high3 Ų352.8 Ų52.82%0.01526%0.258CS..Hα-helixtrans-60.2-44.7174.9-69.4166.9000110.1L237 L264 L265 L270 L271 L272 L400 C403 I404 I407L237-I268 HydrophobicContact CD1-CB 4.12Å; L237-I268 HydrophobicContact CD1-CG2 3.65Å; L264-I268 HydrophobicContact CD1-CD1 4.4Å; L264-I268 HydrophobicContact CD1-CG1 4.49Å; L264-I268 HydrophobicContact CG-CD1 3.98Å; L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.1Å; L264-I268 PolarHBondContact O-N 3.43Å; L265-I268 PolarHBondContact O-N 2.84Å; I268-L270 PolarHBondContact O-N 3.43Å; I268-L271 PolarHBondContact O-N 3.42Å; I268-L272 HydrophobicContact CG2-CD1 3.62Å; I268-L272 HydrophobicContact CG2-CG 3.94Å; I268-L272 WeakPolarHBondContact O-CB 3.38Å; I268-L272 VanDerWaalsContact O-CG 3.29Å; I268-L272 WeakPolarHBondContact O-CG 3.44Å; I268-L272 PolarHBondContact O-N 3Å; I268-L400 HydrophobicContact CG2-CD2 4.02Å; I268-C403 HydrophobicContact CD1-CB 3.91Å; I268-C403 HydrophobicContact CG1-CB 4.26Å; I268-I404 HydrophobicContact CD1-CG1 4.28Å; I268-I404 HydrophobicContact CG2-CD1 4.22Å; I268-I404 HydrophobicContact CG2-CG1 4.09Å; I268-I407 HydrophobicContact CD1-CD1 3.58Å
269K95.2Very high93.1Very high39 Ų3953.2 Ų53.217%0.1726%0.26CS..Hα-helixtrans-55.5-50.2177-175.4178.3178.6-1780111.3L237 M247 L265 E266 K267 L271 L272 L273L237-K269 HydrophobicContact CB-CB 4.33Å; L237-K269 HydrophobicContact CB-CG 4.4Å; L237-K269 HydrophobicContact CD1-CB 4.47Å; L237-K269 HydrophobicContact CD2-CB 4.19Å; M247-K269 HydrophobicContact CG-CD 4.3Å; L265-K269 WeakPolarHBondContact O-CB 3.49Å; L265-K269 PolarHBondContact O-N 3.41Å; E266-K269 WeakPolarHBondContact O-CB 3.37Å; E266-K269 PolarHBondContact O-N 3.39Å; K267-K269 VanDerWaalsContact C-N 3.34Å; K267-K269 PolarHBondContact O-N 2.93Å; K269-L271 VanDerWaalsContact C-N 3.29Å; K269-L271 PolarHBondContact O-N 2.98Å; K269-L272 PolarHBondContact O-N 3.38Å; K269-L273 HydrophobicContact CG-CD1 4.23Å; K269-L273 VanDerWaalsContact O-CG 3.29Å; K269-L273 WeakPolarHBondContact O-CG 3.42Å; K269-L273 PolarHBondContact O-N 3.19Å; K269-L273 VanDerWaalsContact O-N 3.07Å
270L92.7Very high93.3Very high94 Ų9451.5 Ų51.549%0.49226%0.255SS..Hα-helixtrans-58-41.6179.1-69.7174.1000112.2E266 K267 I268 T274E266-L270 WeakPolarHBondContact O-CG 3.23Å; E266-L270 PolarHBondContact O-N 2.88Å; E266-L270 VanDerWaalsContact O-N 3.13Å; K267-L270 PolarHBondContact O-N 3.32Å; I268-L270 PolarHBondContact O-N 3.43Å; L270-T274 WeakPolarHBondContact O-CG2 3.44Å
271L93.2Very high93.4Very high6 Ų651.5 Ų51.53%0.03126%0.256CS..Hα-helixtrans-71.4-42.8178.6-67.9173.1000112.6K267 I268 K269 L273 T274 P386 Y390 L396 L400K267-L271 WeakPolarHBondContact O-CG 3.45Å; K267-L271 PolarHBondContact O-N 3.16Å; K267-L271 VanDerWaalsContact O-N 3.15Å; I268-L271 PolarHBondContact O-N 3.42Å; K269-L271 VanDerWaalsContact C-N 3.29Å; K269-L271 PolarHBondContact O-N 2.98Å; L271-L273 VanDerWaalsContact C-N 3.26Å; L271-L273 PolarHBondContact O-N 3.13Å; L271-T274 WeakPolarHBondContact O-CB 3.45Å; L271-T274 PolarHBondContact O-N 3.39Å; L271-T274 PolarHBondContact O-OG1 3.14Å; L271-P386 HydrophobicContact CD2-CB 4.14Å; L271-Y390 WeakPolarHBondContact CD1-OH 3.47Å; L271-Y390 HydrophobicContact CD2-CE2 3.55Å; L271-Y390 WeakPolarHBondContact CD2-OH 3.37Å; L271-L396 HydrophobicContact CB-CD1 4.32Å; L271-L396 HydrophobicContact CD1-CD1 4.4Å; L271-L396 HydrophobicContact CD2-CD1 4.04Å; L271-L396 HydrophobicContact CG-CD1 4.49Å; L271-L400 HydrophobicContact CB-CD1 4.45Å; L271-L400 HydrophobicContact CB-CD2 3.87Å; L271-L400 HydrophobicContact CB-CG 4.47Å; L271-L400 HydrophobicContact CD1-CD2 4.27Å
272L95.2Very high93.5Very high1 Ų153.4 Ų53.41%0.00527%0.268CS..Hα-helixtrans-59.3-37.5177.4-73.9174000111.9L237 V238 I268 K269 T274 L275 M280 L283 L400L237-L272 HydrophobicContact CB-CD1 4.22Å; L237-L272 HydrophobicContact CD1-CD1 4.04Å; V238-L272 HydrophobicContact CG2-CB 3.66Å; V238-L272 HydrophobicContact CG2-CD1 3.86Å; V238-L272 HydrophobicContact CG2-CG 4.38Å; I268-L272 HydrophobicContact CG2-CD1 3.62Å; I268-L272 HydrophobicContact CG2-CG 3.94Å; I268-L272 WeakPolarHBondContact O-CB 3.38Å; I268-L272 VanDerWaalsContact O-CG 3.29Å; I268-L272 WeakPolarHBondContact O-CG 3.44Å; I268-L272 PolarHBondContact O-N 3Å; K269-L272 PolarHBondContact O-N 3.38Å; L272-T274 PolarHBondContact O-N 2.87Å; L272-L275 HydrophobicContact CD2-CD1 4.17Å; L272-L275 WeakPolarHBondContact O-CB 3.46Å; L272-L275 PolarHBondContact O-N 3.41Å; L272-M280 HydrophobicContact CB-CE 4.37Å; L272-M280 HydrophobicContact CD2-CE 4.24Å; L272-M280 HydrophobicContact CD2-SD 4.45Å; L272-L283 HydrophobicContact CD2-CD2 3.43Å; L272-L283 VanDerWaalsContact CD2-CD2 3.43Å; L272-L400 HydrophobicContact CD2-CD1 4.12Å; L272-L400 HydrophobicContact CD2-CD2 4.18Å; L272-L400 HydrophobicContact CG-CD2 4.2Å
273L93.2Very high93.7Very high105 Ų10551.1 Ų51.155%0.5526%0.26SS..THydrogen-bonded Turntrans-67-12176.4-68.4173000113.7V238 K269 L271V238-L273 HydrophobicContact CG1-CD2 4.41Å; K269-L273 HydrophobicContact CG-CD1 4.23Å; K269-L273 VanDerWaalsContact O-CG 3.29Å; K269-L273 WeakPolarHBondContact O-CG 3.42Å; K269-L273 PolarHBondContact O-N 3.19Å; K269-L273 VanDerWaalsContact O-N 3.07Å; L271-L273 VanDerWaalsContact C-N 3.26Å; L271-L273 PolarHBondContact O-N 3.13Å
274T92Very high93.9Very high25 Ų2543.4 Ų43.415%0.15323%0.231CC..THydrogen-bonded Turntrans-92.7-6.4175.5710000114.1L270 L271 L272 P386 R387L270-T274 WeakPolarHBondContact O-CG2 3.44Å; L271-T274 WeakPolarHBondContact O-CB 3.45Å; L271-T274 PolarHBondContact O-N 3.39Å; L271-T274 PolarHBondContact O-OG1 3.14Å; L272-T274 PolarHBondContact O-N 2.87Å; T274-P386 HydrophobicContact CG2-CB 4.34Å; T274-P386 HydrophobicContact CG2-CG 4.19Å; T274-R387 PolarHBondContact O-NH1 2.75Å
275L93.4Very high94.1Very high21 Ų2145.3 Ų45.311%0.1125%0.246CC..  trans-80.5140.9179.7-60-173000111L272 E279 M280 L283 L396 L400L272-L275 HydrophobicContact CD2-CD1 4.17Å; L272-L275 WeakPolarHBondContact O-CB 3.46Å; L272-L275 PolarHBondContact O-N 3.41Å; L275-E279 WeakPolarHBondContact CA-OE2 3.45Å; L275-E279 HydrophobicContact CB-CB 4Å; L275-E279 HydrophobicContact CD2-CB 4.11Å; L275-E279 HydrophobicContact CG-CB 4.45Å; L275-M280 HydrophobicContact CB-CE 4.3Å; L275-M280 HydrophobicContact CD1-CE 4.21Å; L275-M280 HydrophobicContact CD1-SD 4.49Å; L275-L283 HydrophobicContact CD1-CD2 3.91Å; L275-L396 HydrophobicContact CD2-CD2 3.61Å; L275-L396 HydrophobicContact CD2-CG 4.08Å; L275-L400 HydrophobicContact CD1-CD1 3.83Å; L275-L400 HydrophobicContact CD2-CD1 4.26Å; L275-L400 HydrophobicContact CG-CD1 4.29Å
276D93.4Very high94.1Very high78 Ų7849 Ų4942%0.41726%0.262SS..  trans-77.7172.416569.746.7000112.1N278 E279 M280D276-N278 VanDerWaalsContact C-N 3.25Å; D276-N278 PolarHBondContact O-N 2.79Å; D276-N278 WeakPolarHBondContact OD1-CA 3.43Å; D276-N278 WeakPolarHBondContact OD1-CB 3.18Å; D276-N278 PolarHBondContact OD1-N 3.19Å; D276-E279 PolarHBondContact N-OE2 3.26Å; D276-E279 PolarHBondContact O-N 3.22Å; D276-E279 WeakPolarHBondContact OD1-CG 3.19Å; D276-E279 PolarHBondContact OD1-N 2.91Å; D276-M280 WeakPolarHBondContact O-CB 3.46Å; D276-M280 PolarHBondContact O-N 2.99Å
277D93.6Very high94.2Very high143 Ų14345.7 Ų45.777%0.76525%0.247SC*.Hα-helixtrans-60.4-32-177.2-70.5-31.1000113.6S281D277-S281 WeakPolarHBondContact O-CB 3.41Å; D277-S281 PolarHBondContact O-N 3.03Å; D277-S281 PolarHBondContact O-OG 3.35Å
278N94.5Very high94.2Very high117 Ų11744.4 Ų44.463%0.62624%0.244SC*.Hα-helixtrans-77.7-41.4-179.9-179.462.3000111D276 S281 T282D276-N278 VanDerWaalsContact C-N 3.25Å; D276-N278 PolarHBondContact O-N 2.79Å; D276-N278 WeakPolarHBondContact OD1-CA 3.43Å; D276-N278 WeakPolarHBondContact OD1-CB 3.18Å; D276-N278 PolarHBondContact OD1-N 3.19Å; N278-S281 PolarHBondContact O-N 2.99Å; N278-T282 WeakPolarHBondContact O-CB 3.49Å; N278-T282 PolarHBondContact O-N 3.09Å; N278-T282 PolarHBondContact O-OG1 2.68Å
279E95.1Very high93.7Very high9 Ų945.9 Ų45.94%0.04225%0.254CS..Hα-helixtrans-62-43.8172.8-67.7176.4140.900111.4L275 D276 T282 L283 R387 S393 I397L275-E279 WeakPolarHBondContact CA-OE2 3.45Å; L275-E279 HydrophobicContact CB-CB 4Å; L275-E279 HydrophobicContact CD2-CB 4.11Å; L275-E279 HydrophobicContact CG-CB 4.45Å; D276-E279 PolarHBondContact N-OE2 3.26Å; D276-E279 PolarHBondContact O-N 3.22Å; D276-E279 WeakPolarHBondContact OD1-CG 3.19Å; D276-E279 PolarHBondContact OD1-N 2.91Å; E279-T282 WeakPolarHBondContact O-CB 3.38Å; E279-T282 PolarHBondContact O-N 3.4Å; E279-L283 PolarHBondContact O-N 3.18Å; E279-R387 VanDerWaalsContact CD-NH2 3.32Å; E279-R387 IonicContact OE1-CZ 3.88Å; E279-R387 IonicContact OE1-NH1 3.87Å; E279-R387 IonicContact OE1-NH2 3.75Å; E279-R387 PolarHBondContact OE1-NH2 2.89Å; E279-R387 IonicContact OE2-CZ 3.19Å; E279-R387 IonicContact OE2-NH1 2.93Å; E279-R387 PolarHBondContact OE2-NH1 3.46Å; E279-R387 IonicContact OE2-NH2 3.97Å; E279-R387 PolarHBondContact OE2-NH2 2.79Å; E279-S393 WeakPolarHBondContact OE1-CB 3.5Å; E279-S393 PolarHBondContact OE1-OG 2.96Å; E279-I397 HydrophobicContact CB-CD1 4.06Å; E279-I397 HydrophobicContact CG-CD1 4.27Å
280M95.7Very high92Very high22 Ų2247.8 Ų47.811%0.10827%0.272CS..Hα-helixtrans-61.9-46.6175.3-174.762.671.700111.3V234 L272 L275 D276 T282 L283 E284V234-M280 HydrophobicContact CG1-SD 3.84Å; L272-M280 HydrophobicContact CB-CE 4.37Å; L272-M280 HydrophobicContact CD2-CE 4.24Å; L272-M280 HydrophobicContact CD2-SD 4.45Å; L275-M280 HydrophobicContact CB-CE 4.3Å; L275-M280 HydrophobicContact CD1-CE 4.21Å; L275-M280 HydrophobicContact CD1-SD 4.49Å; D276-M280 WeakPolarHBondContact O-CB 3.46Å; D276-M280 PolarHBondContact O-N 2.99Å; M280-T282 VanDerWaalsContact C-N 3.28Å; M280-T282 PolarHBondContact O-N 3.46Å; M280-L283 PolarHBondContact O-N 3.43Å; M280-E284 WeakPolarHBondContact O-CG 3.46Å; M280-E284 PolarHBondContact O-N 2.77Å
281S94.9Very high90.1Very high56 Ų5646.4 Ų46.439%0.39227%0.265SS..Hα-helixtrans-62.7-36.9177.4-60.20000112.1D277 N278 S285D277-S281 WeakPolarHBondContact O-CB 3.41Å; D277-S281 PolarHBondContact O-N 3.03Å; D277-S281 PolarHBondContact O-OG 3.35Å; N278-S281 PolarHBondContact O-N 2.99Å; S281-S285 WeakPolarHBondContact O-CB 3.43Å; S281-S285 PolarHBondContact O-N 3.47Å
282T95.1Very high87.9Confident48 Ų4854.6 Ų54.629%0.29430%0.303SS..Hα-helixtrans-65.8-43.7175.1-57.40000111.4N278 E279 M280 K286 I397N278-T282 WeakPolarHBondContact O-CB 3.49Å; N278-T282 PolarHBondContact O-N 3.09Å; N278-T282 PolarHBondContact O-OG1 2.68Å; E279-T282 WeakPolarHBondContact O-CB 3.38Å; E279-T282 PolarHBondContact O-N 3.4Å; M280-T282 VanDerWaalsContact C-N 3.28Å; M280-T282 PolarHBondContact O-N 3.46Å; T282-K286 WeakPolarHBondContact O-CG 3.39Å; T282-K286 PolarHBondContact O-N 3.25Å; T282-K286 VanDerWaalsContact O-N 3.13Å; T282-I397 HydrophobicContact CG2-CD1 4.23Å
283L96.1Very high85.4Confident0 Ų058.9 Ų58.90%033%0.333CS..Hα-helixtrans-62.4-48.7175.8175.762.1000111.4L272 L275 E279 M280 S285 K286 L287 I397 L400 F401 I404L272-L283 HydrophobicContact CD2-CD2 3.43Å; L272-L283 VanDerWaalsContact CD2-CD2 3.43Å; L275-L283 HydrophobicContact CD1-CD2 3.91Å; E279-L283 PolarHBondContact O-N 3.18Å; M280-L283 PolarHBondContact O-N 3.43Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 3.29Å; L283-K286 PolarHBondContact O-N 3.42Å; L283-K286 VanDerWaalsContact O-N 3.09Å; L283-L287 HydrophobicContact CD1-CD1 3.99Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å; L283-L287 HydrophobicContact CG-CD1 3.83Å; L283-L287 HydrophobicContact CG-CG 4.33Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.76Å; L283-I397 HydrophobicContact CB-CG2 4.11Å; L283-I397 HydrophobicContact CD1-CG2 4.12Å; L283-L400 HydrophobicContact CD1-CB 4.1Å; L283-L400 HydrophobicContact CD2-CB 4.1Å; L283-L400 HydrophobicContact CD2-CD1 4.15Å; L283-F401 HydrophobicContact CD1-CB 4.11Å; L283-I404 HydrophobicContact CD2-CD1 4.37Å
284E96.3Very high83Confident2 Ų260 Ų601%0.00934%0.34CS..Hα-helixtrans-58.8-42.8178.8-72.7-177.314900112R205 K209 L211 L231 M280 K286 L287 S288R205-E284 IonicContact CZ-OE1 2.62Å; R205-E284 IonicContact CZ-OE2 3.26Å; R205-E284 IonicContact NH1-OE1 3.74Å; R205-E284 PolarHBondContact NH1-OE1 3Å; R205-E284 IonicContact NH1-OE2 3.21Å; R205-E284 PolarHBondContact NH1-OE2 2.93Å; R205-E284 IonicContact NH2-OE1 3.21Å; R205-E284 PolarHBondContact NH2-OE1 2.99Å; R205-E284 IonicContact NH2-OE2 3.37Å; R205-E284 PolarHBondContact NH2-OE2 3.27Å; K209-E284 IonicContact NZ-OE1 2.72Å; K209-E284 IonicContact NZ-OE2 3.65Å; K209-E284 PolarHBondContact NZ-OE2 2.94Å; L211-E284 HydrophobicContact CD1-CB 3.92Å; L211-E284 HydrophobicContact CD2-CB 4.45Å; L231-E284 HydrophobicContact CD2-CB 4.22Å; L231-E284 HydrophobicContact CD2-CG 4.42Å; M280-E284 WeakPolarHBondContact O-CG 3.46Å; M280-E284 PolarHBondContact O-N 2.77Å; E284-K286 VanDerWaalsContact C-N 3.29Å; E284-K286 PolarHBondContact O-N 2.99Å; E284-L287 PolarHBondContact O-N 2.87Å; E284-S288 PolarHBondContact O-N 3.09Å; E284-S288 PolarHBondContact O-OG 3.22Å
285S94.7Very high80.8Confident66 Ų6662 Ų6246%0.46235%0.347SS..Hα-helixtrans-63.7-32175.8-177.40000113.3S281 L283 S288 S289S281-S285 WeakPolarHBondContact O-CB 3.43Å; S281-S285 PolarHBondContact O-N 3.47Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 3.29Å; S285-S288 PolarHBondContact O-OG 3.42Å; S285-S289 PolarHBondContact O-OG 3.33Å
286K94.2Very high78.3Confident78 Ų7863.2 Ų63.234%0.33936%0.357SS..Hα-helixtrans-75-38.8174.1-73.5-176.7177.9-166.60111.7T282 L283 E284 S288 S289 I397 F401T282-K286 WeakPolarHBondContact O-CG 3.39Å; T282-K286 PolarHBondContact O-N 3.25Å; T282-K286 VanDerWaalsContact O-N 3.13Å; L283-K286 PolarHBondContact O-N 3.42Å; L283-K286 VanDerWaalsContact O-N 3.09Å; E284-K286 VanDerWaalsContact C-N 3.29Å; E284-K286 PolarHBondContact O-N 2.99Å; K286-S288 VanDerWaalsContact C-N 3.28Å; K286-S288 PolarHBondContact O-N 3.45Å; K286-S289 PolarHBondContact O-N 3.27Å; K286-S289 PolarHBondContact O-OG 3.16Å; K286-I397 HydrophobicContact CD-CG2 4.06Å; K286-F401 HydrophobicContact CB-CD2 4.04Å; K286-F401 HydrophobicContact CB-CE2 4.48Å; K286-F401 VanDerWaalsContact O-CE2 3.29Å; K286-F401 WeakPolarHBondContact O-CE2 3.34Å
287L94.7Very high75.9Confident0 Ų065 Ų650%037%0.373CS..Hα-helixtrans-67.9-28.9178.6-69.8170.1000112.6R230 L231 V234 L283 E284 F401 I404R230-L287 HydrophobicContact CB-CB 4.17Å; R230-L287 HydrophobicContact CB-CD2 4.07Å; L231-L287 HydrophobicContact CD2-CB 4.07Å; V234-L287 HydrophobicContact CG2-CD1 3.41Å; V234-L287 VanDerWaalsContact CG2-CD1 3.41Å; L283-L287 HydrophobicContact CD1-CD1 3.99Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å; L283-L287 HydrophobicContact CG-CD1 3.83Å; L283-L287 HydrophobicContact CG-CG 4.33Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.76Å; E284-L287 PolarHBondContact O-N 2.87Å; L287-F401 HydrophobicContact CD2-CD2 3.65Å; L287-F401 HydrophobicContact CD2-CE2 4.28Å; L287-F401 HydrophobicContact CD2-CG 4.44Å; L287-F401 HydrophobicContact CG-CD2 4.22Å; L287-I404 HydrophobicContact CD1-CD1 4.07Å; L287-I404 HydrophobicContact CD1-CG2 4.21Å; L287-I404 HydrophobicContact CD2-CB 3.92Å; L287-I404 HydrophobicContact CD2-CG2 3.65Å
288S91.7Very high73.6Confident19 Ų1966 Ų6613%0.13337%0.373CS..Hα-helixtrans-81-20.7178.469.20000114.1E284 S285 K286E284-S288 PolarHBondContact O-N 3.09Å; E284-S288 PolarHBondContact O-OG 3.22Å; S285-S288 PolarHBondContact O-OG 3.42Å; K286-S288 VanDerWaalsContact C-N 3.28Å; K286-S288 PolarHBondContact O-N 3.45Å
289S82.9Confident71.2Confident34 Ų3464.2 Ų64.224%0.23836%0.361CS..SBendtrans-92.2138.9-178.961.50000112.1S285 K286 L291S285-S289 PolarHBondContact O-OG 3.33Å; K286-S289 PolarHBondContact O-N 3.27Å; K286-S289 PolarHBondContact O-OG 3.16Å; S289-L291 PolarHBondContact O-N 3.2Å; S289-L291 VanDerWaalsContact O-N 3.09Å; S289-L291 WeakPolarHBondContact OG-CD1 3.37Å
290S59.4Low68.6Low79 Ų7967.1 Ų67.155%0.55238%0.379SS*.  trans-83.963.8173.8-176.80000109.9
291L53.5Low65.8Low65 Ų6568.9 Ų68.934%0.3439%0.394SS..  trans-102.291-176.8-70.6167.5000111S289 S293 F295S289-L291 PolarHBondContact O-N 3.2Å; S289-L291 VanDerWaalsContact O-N 3.09Å; S289-L291 WeakPolarHBondContact OG-CD1 3.37Å; L291-S293 WeakPolarHBondContact CD2-OG 3.45Å; L291-F295 WeakPolarHBondContact O-CE2 3.45Å
292E46.7Very low63.2Low179 Ų17972.4 Ų72.484%0.83641%0.407SS*.SBendtrans-70.8-9147.3-71.2-166.6155.600111.4
293S42.3Very low60.5Low91 Ų9175 Ų7564%0.63642%0.415SS*.THydrogen-bonded Turntrans-977.5-164.666.30000117.1L291L291-S293 WeakPolarHBondContact CD2-OG 3.45Å
294D43.5Very low57.7Low129 Ų12977.4 Ų77.469%0.6943%0.431SS*.THydrogen-bonded Turntrans-115.44.1175.8-86.3-15.1000114
295F45.1Very low54.9Low66 Ų6681.1 Ų81.129%0.28945%0.451SS..SBendtrans-96.7137.2-178.7-64.1-63.8000112.4L291 E299 V300 H398 F401L291-F295 WeakPolarHBondContact O-CE2 3.45Å; F295-E299 HydrophobicContact CB-CB 4.15Å; F295-E299 HydrophobicContact CD1-CB 4.43Å; F295-V300 HydrophobicContact CB-CG2 4.1Å; F295-H398 AromaticContact CD1-NE2 3.75Å; F295-H398 AromaticContact CE1-CD2 3.42Å; F295-H398 VanDerWaalsContact CE1-CD2 3.42Å; F295-H398 WeakPolarHBondContact CE1-CD2 3.3Å; F295-H398 AromaticContact CE1-NE2 3.16Å; F295-H398 WeakPolarHBondContact CE1-NE2 3.45Å; F295-H398 AromaticContact CZ-NE2 3.98Å; F295-F401 AromaticContact CE2-CE1 3.99Å; F295-F401 HydrophobicContact CE2-CE1 3.99Å; F295-F401 HydrophobicContact CZ-CD1 4.13Å; F295-F401 AromaticContact CZ-CE1 3.75Å; F295-F401 HydrophobicContact CZ-CE1 3.75Å
296S42Very low52.2Low47 Ų4781.8 Ų81.833%0.32945%0.446SS..  trans-66151.9172.665.50000110.4E298 E299 V300S296-E298 PolarHBondContact O-N 3.37Å; S296-E299 PolarHBondContact N-OE2 3.28Å; S296-E299 WeakPolarHBondContact O-CB 3.5Å; S296-E299 PolarHBondContact O-N 3.42Å; S296-E299 VanDerWaalsContact OG-CD 3.3Å; S296-E299 WeakPolarHBondContact OG-CG 3.42Å; S296-E299 PolarHBondContact OG-OE2 2.99Å; S296-V300 PolarHBondContact O-N 3.42Å
297P42.9Very low49.4Very low115 Ų11581.9 Ų81.975%0.74746%0.456SS*.Hα-helixtrans-55.2-26.3179.2-25.433.1000114.3S301P297-S301 PolarHBondContact O-N 2.89Å
298E44.2Very low46.6Very low165 Ų16587 Ų8777%0.77148%0.482SS*.Hα-helixtrans-70-31.3175-69.6-178.5166.300112.5S296S296-E298 PolarHBondContact O-N 3.37Å
299E44.6Very low43.9Very low79 Ų7993.3 Ų93.337%0.36951%0.51SS..Hα-helixtrans-79.4-32.4178.9-69.9165149.200111.9F295 S296 S301 L302 F303F295-E299 HydrophobicContact CB-CB 4.15Å; F295-E299 HydrophobicContact CD1-CB 4.43Å; S296-E299 PolarHBondContact N-OE2 3.28Å; S296-E299 WeakPolarHBondContact O-CB 3.5Å; S296-E299 PolarHBondContact O-N 3.42Å; S296-E299 VanDerWaalsContact OG-CD 3.3Å; S296-E299 WeakPolarHBondContact OG-CG 3.42Å; S296-E299 PolarHBondContact OG-OE2 2.99Å; E299-S301 VanDerWaalsContact C-N 3.33Å; E299-L302 PolarHBondContact O-N 3.06Å; E299-F303 PolarHBondContact O-N 3.42Å
300V41Very low41.8Very low70 Ų7098 Ų9842%0.42452%0.522SS..Hα-helixtrans-69.9-30.5172.7-177.40000111.6F295 S296 L302 F303 S304F295-V300 HydrophobicContact CB-CG2 4.1Å; S296-V300 PolarHBondContact O-N 3.42Å; V300-L302 PolarHBondContact O-N 3.33Å; V300-F303 VanDerWaalsContact O-CB 3.31Å; V300-F303 WeakPolarHBondContact O-CB 3.5Å; V300-F303 PolarHBondContact O-N 2.84Å; V300-S304 PolarHBondContact O-N 3.44Å; V300-S304 PolarHBondContact O-OG 2.92Å
301S36.9Very low40.7Very low59 Ų59103 Ų10341%0.41353%0.534SS..Hα-helixtrans-63.1-39.3174.6-169.60000112.6P297 E299 F303 S304 D305P297-S301 PolarHBondContact O-N 2.89Å; E299-S301 VanDerWaalsContact C-N 3.33Å; S301-F303 VanDerWaalsContact C-N 3.29Å; S301-F303 PolarHBondContact O-N 3.1Å; S301-S304 WeakPolarHBondContact O-CB 3.48Å; S301-S304 PolarHBondContact O-N 3.3Å; S301-D305 PolarHBondContact O-N 2.87Å
302L40.4Very low39.7Very low129 Ų129105.9 Ų105.968%0.67556%0.555SS**Hα-helixtrans-64.3-36.4174.6-79.5164.5000111.7E299 V300 S304 F306E299-L302 PolarHBondContact O-N 3.06Å; V300-L302 PolarHBondContact O-N 3.33Å; L302-S304 VanDerWaalsContact C-N 3.32Å; L302-F306 VanDerWaalsContact O-CB 3.26Å; L302-F306 WeakPolarHBondContact O-CB 3.31Å; L302-F306 PolarHBondContact O-N 3.34Å
303F37.6Very low39Very low104 Ų104100.8 Ų100.846%0.45655%0.55SS.*Hα-helixtrans-65.8-36.1175.5-142-95000112.1E299 V300 S301 C307E299-F303 PolarHBondContact O-N 3.42Å; V300-F303 VanDerWaalsContact O-CB 3.31Å; V300-F303 WeakPolarHBondContact O-CB 3.5Å; V300-F303 PolarHBondContact O-N 2.84Å; S301-F303 VanDerWaalsContact C-N 3.29Å; S301-F303 PolarHBondContact O-N 3.1Å; F303-C307 PolarHBondContact O-N 3.2Å
304S37.9Very low38.5Very low50 Ų50106 Ų10635%0.3556%0.564SS.*Hα-helixtrans-73.1-47.7-179.5-52.80000112.2V300 S301 L302 F306 C307 L308V300-S304 PolarHBondContact O-N 3.44Å; V300-S304 PolarHBondContact O-OG 2.92Å; S301-S304 WeakPolarHBondContact O-CB 3.48Å; S301-S304 PolarHBondContact O-N 3.3Å; L302-S304 VanDerWaalsContact C-N 3.32Å; S304-F306 VanDerWaalsContact C-N 3.33Å; S304-F306 PolarHBondContact O-N 3.48Å; S304-C307 PolarHBondContact O-N 3.43Å; S304-L308 WeakPolarHBondContact O-CB 3.49Å; S304-L308 WeakPolarHBondContact O-CG 3.2Å; S304-L308 PolarHBondContact O-N 2.87Å
305D37Very low37.7Very low79 Ų79111.6 Ų111.642%0.42258%0.576SS.*Hα-helixtrans-68.4-33.7-179.1-75.1-30.4000112S301 C307 L308 Q309S301-D305 PolarHBondContact O-N 2.87Å; D305-C307 VanDerWaalsContact C-N 3.34Å; D305-C307 PolarHBondContact O-N 3.31Å; D305-L308 PolarHBondContact O-N 3.1Å; D305-Q309 WeakPolarHBondContact O-CB 3.35Å; D305-Q309 VanDerWaalsContact O-CG 3.28Å; D305-Q309 WeakPolarHBondContact O-CG 3.33Å; D305-Q309 PolarHBondContact O-N 2.86Å
306F37.4Very low36.9Very low80 Ų80114.5 Ų114.535%0.35160%0.601SS.*Hα-helixtrans-65.6-35.3176.8-169.2-98.9000113L302 S304 V350L302-F306 VanDerWaalsContact O-CB 3.26Å; L302-F306 WeakPolarHBondContact O-CB 3.31Å; L302-F306 PolarHBondContact O-N 3.34Å; S304-F306 VanDerWaalsContact C-N 3.33Å; S304-F306 PolarHBondContact O-N 3.48Å; F306-V350 HydrophobicContact CE2-CB 4.45Å; F306-V350 HydrophobicContact CE2-CG1 4.4Å; F306-V350 VanDerWaalsContact CE2-O 3.31Å; F306-V350 WeakPolarHBondContact CE2-O 3.44Å; F306-V350 HydrophobicContact CZ-CB 4.05Å; F306-V350 HydrophobicContact CZ-CG1 3.74Å; F306-V350 HydrophobicContact CZ-CG2 4.01Å
307C35.7Very low36.3Very low81 Ų81117.3 Ų117.355%0.54762%0.621SS.*Hα-helixtrans-83.8-31.5176.7-73.30000113.1F303 S304 D305F303-C307 PolarHBondContact O-N 3.2Å; S304-C307 PolarHBondContact O-N 3.43Å; D305-C307 VanDerWaalsContact C-N 3.34Å; D305-C307 PolarHBondContact O-N 3.31Å
308L35.6Very low35.8Very low106 Ų106118.3 Ų118.356%0.55563%0.625SS**Hα-helixtrans-84.3-30.6-176.7-74167.9000114S304 D305 R310 K311S304-L308 WeakPolarHBondContact O-CB 3.49Å; S304-L308 WeakPolarHBondContact O-CG 3.2Å; S304-L308 PolarHBondContact O-N 2.87Å; D305-L308 PolarHBondContact O-N 3.1Å; L308-R310 PolarHBondContact O-N 2.95Å; L308-K311 PolarHBondContact O-N 3.35Å; L308-K311 VanDerWaalsContact O-N 3.13Å
309Q36.3Very low34.9Very low152 Ų152120 Ų12071%0.7163%0.633SS**THydrogen-bonded Turntrans-66.1-8-180-77.31794.200114.4D305D305-Q309 WeakPolarHBondContact O-CB 3.35Å; D305-Q309 VanDerWaalsContact O-CG 3.28Å; D305-Q309 WeakPolarHBondContact O-CG 3.33Å; D305-Q309 PolarHBondContact O-N 2.86Å
310R37.1Very low34.2Very low132 Ų132120.9 Ų120.950%0.49865%0.654SS.*THydrogen-bonded Turntrans-96.6-6.2175.4-73.3-177.9176.3163.7-2.1114.8L308L308-R310 PolarHBondContact O-N 2.95Å
311K36.1Very low33.7Very low186 Ų186122.8 Ų122.881%0.80967%0.67SS**SBendtrans-100.8-4.2-178.8-87.9-174.7174.7-179.60115.3L308L308-K311 PolarHBondContact O-N 3.35Å; L308-K311 VanDerWaalsContact O-N 3.13Å
312T33.6Very low33.1Very low125 Ų125126.2 Ų126.277%0.76769%0.688SS**  trans-121.359.9-170.950.70000112.9
313G32Very low32.6Very low72 Ų72128.3 Ų128.374%0.74270%0.7SS**  trans-126.412.8-170.700000118
314E31.8Very low32.2Very low199 Ų199128.4 Ų128.493%0.9371%0.713SS**  trans-140.2129.9177-69.5-175.5148.300113
315R27.6Very low31.8Very low247 Ų247132.2 Ų132.293%0.93274%0.737SS**  trans-93.2148.2177.8-85.2-179179.3174.60.6111
316P26.5Very low31.2Very low128 Ų128133.6 Ų133.683%0.83175%0.753SS**  trans-96.8145.7-174.536.4-32.6000114.6
317S30.5Very low30.7Very low105 Ų105135.7 Ų135.773%0.73477%0.774SS**  trans-157.5103.4160.955.90000110.8
318T31.2Very low30.4Very low137 Ų137138 Ų13884%0.8479%0.785SS**  90.8106.7101.650.40000117.5
319E25.3Very low30Very low199 Ų199139 Ų13993%0.9380%0.795SS**  trans-1139.7154.3-59.4176.5156.600122.8
320A30.6Very low29.5Very low98 Ų98136.9 Ų136.981%0.8179%0.793SS**  -176.3115.9124.800000116.4
321S29.8Very low29.3Very low111 Ų111133.8 Ų133.878%0.77679%0.789SS**  68.196.4127.6174.10000124.7
322V26Very low29.3Very low130 Ų130128.7 Ų128.779%0.78877%0.77SS**  37.6122.3119.7-1730000122.4
323L29.2Very low29.1Very low174 Ų174127.6 Ų127.691%0.91177%0.767SS**  trans-169150.6131.9-101.4140.4000113
324S28.5Very low29.1Very low106 Ų106131.6 Ų131.674%0.74177%0.767SS**  trans-88.4170.9-150.854.50000119.2
325P29.1Very low28.9Very low130 Ų130126.7 Ų126.784%0.84475%0.752SS**  trans-107.8170.4-149.640.9-34.5000118
326S25Very low28.9Very low108 Ų108121.4 Ų121.476%0.75575%0.747SS**  trans-133.4151.2169.6-150.50000109.4V328S326-V328 PolarHBondContact O-N 3.43Å
327P28Very low29Very low124 Ų124119.8 Ų119.881%0.80574%0.735SS**  trans-84.1114.5-154.532.9-31.3000112.4
328V27.6Very low28.8Very low129 Ų129122.8 Ų122.878%0.78274%0.742SS**  trans-102.6127.1168.4-179.50000108.3S326 T330S326-V328 PolarHBondContact O-N 3.43Å; V328-T330 PolarHBondContact O-N 3.08Å; V328-T330 VanDerWaalsContact O-N 3.08Å
329V28.4Very low28.7Very low126 Ų126124.1 Ų124.176%0.76474%0.739SS**  trans-64.9104.2175.4177.10000108.1V331V329-V331 HydrophobicContact CG1-CG2 4.16Å; V329-V331 PolarHBondContact O-N 3.42Å; V329-V331 VanDerWaalsContact O-N 3.09Å
330T26.7Very low29Very low109 Ų109122 Ų12267%0.66973%0.734SS**  trans-66.8103.9176.5-48.70000109.8V328V328-T330 PolarHBondContact O-N 3.08Å; V328-T330 VanDerWaalsContact O-N 3.08Å
331V32.7Very low28.8Very low66 Ų66121.7 Ų121.740%0.472%0.724SS.*  trans-105.6122.8167.3179.20000106.5F104 V329F104-V331 HydrophobicContact CE1-CG1 4.22Å; F104-V331 HydrophobicContact CE1-CG2 4.2Å; V329-V331 HydrophobicContact CG1-CG2 4.16Å; V329-V331 PolarHBondContact O-N 3.42Å; V329-V331 VanDerWaalsContact O-N 3.09Å
332L35Very low28.9Very low79 Ų79126.5 Ų126.541%0.41473%0.731SS.*  trans64.976.7175.9-68.9155.5000115.3Y176 M180 Q334Y176-L332 WeakPolarHBondContact OH-CD1 3.12Å; M180-L332 HydrophobicContact CE-CD1 3.78Å; L332-Q334 PolarHBondContact O-N 3.22Å
333S28.8Very low29.3Very low102 Ų102127.6 Ų127.671%0.71373%0.728SS**  trans-70.4109.4151.4-29.50000107.7
334Q32.3Very low29.2Very low156 Ų156123.3 Ų123.373%0.72973%0.726SS**  trans-57147.6172.7-66.9169.1-29.300111L332 T336L332-Q334 PolarHBondContact O-N 3.22Å; Q334-T336 PolarHBondContact O-N 3.21Å
335P28.4Very low29.3Very low97 Ų97122.2 Ų122.263%0.6372%0.717SS**  trans-71.2114.1150.122.7-11.6000107.1V337P335-V337 PolarHBondContact O-N 2.94Å
336T27.3Very low29.5Very low135 Ų135122.2 Ų122.283%0.82871%0.71SS**  trans-53.7100.4174.122.20000111.1Q334Q334-T336 PolarHBondContact O-N 3.21Å
337V29.2Very low30.2Very low94 Ų94120.2 Ų120.257%0.5769%0.693SS**  trans-85.3126.7157.6177.60000106.6P335 Q339P335-V337 PolarHBondContact O-N 2.94Å; V337-Q339 PolarHBondContact O-N 3.49Å
338L26.8Very low30.6Very low169 Ų169120 Ų12089%0.88568%0.682SS**  trans-48.3102175.7-91.287.8000110.9
339Q29Very low31.1Very low164 Ų164120.3 Ų120.377%0.76668%0.679SS**  trans-96.2125.5151.7-89.8178.2-17.800107V337V337-Q339 PolarHBondContact O-N 3.49Å
340N31.5Very low31.8Very low156 Ų156115.8 Ų115.883%0.83465%0.651SS**  trans130.498.7167.9-65.7-12.9000108.3
341C26.6Very low32.4Very low90 Ų90112.4 Ų112.461%0.60863%0.632SS**  -143.6108.264.9-171.70000111.3Q343C341-Q343 VanDerWaalsContact C-N 3.33Å; C341-Q343 PolarHBondContact SG-N 2.91Å
342K30.6Very low32.6Very low212 Ų212114.3 Ų114.392%0.92265%0.646SS**  trans-97.258.9156.9-77.5-173.7177-179.30108.4
343Q34.1Very low33Very low153 Ų153116 Ų11672%0.71565%0.651SS**SBendtrans-108.2131.9152.5-101.1105.512.900107.4C341 C345C341-Q343 VanDerWaalsContact C-N 3.33Å; C341-Q343 PolarHBondContact SG-N 2.91Å; Q343-C345 PolarHBondContact O-N 2.84Å; Q343-C345 PolarHBondContact O-SG 3.44Å
344G28.4Very low33.8Very low84 Ų84111.6 Ų111.687%0.86662%0.62SS**  trans-59.1101.3177.400000110.4
345C28.9Very low34.2Very low84 Ų84107 Ų10757%0.56861%0.605SS**  trans-82.2118.1168.4-47.10000107.1Q343 V347Q343-C345 PolarHBondContact O-N 2.84Å; Q343-C345 PolarHBondContact O-SG 3.44Å; C345-V347 WeakPolarHBondContact O-CG2 3.5Å; C345-V347 PolarHBondContact O-N 3.31Å
346D33.3Very low34.7Very low129 Ų129104.7 Ų104.769%0.6959%0.594SS**  trans-52.2105.4177.4-66.1-49.2000111.3E348D346-E348 PolarHBondContact O-N 3.35Å; D346-E348 VanDerWaalsContact O-N 3.12Å
347V40.9Very low35.3Very low66 Ų66100.5 Ų100.540%0.457%0.566SS.*G310 helixtrans-69.2-4177.3-172.10000111.2C345 N349 V350C345-V347 WeakPolarHBondContact O-CG2 3.5Å; C345-V347 PolarHBondContact O-N 3.31Å; V347-N349 PolarHBondContact O-N 3.31Å; V347-V350 HydrophobicContact CG1-CG2 3.97Å; V347-V350 WeakPolarHBondContact O-CG2 3.31Å; V347-V350 PolarHBondContact O-N 2.93Å
348E36.6Very low35.6Very low121 Ų121104.2 Ų104.257%0.56558%0.577SS**G310 helixtrans-68.3-15.3-177.1-65.4-168.4161.400114.3R263 D346R263-E348 IonicContact CZ-OE1 2.68Å; R263-E348 IonicContact NH1-OE1 2.76Å; R263-E348 PolarHBondContact NH1-OE1 3.46Å; D346-E348 PolarHBondContact O-N 3.35Å; D346-E348 VanDerWaalsContact O-N 3.12Å
349N38.3Very low35.8Very low134 Ų134102 Ų10272%0.71757%0.571SS**G310 helixtrans-100.314.6-179.6-77.2-24000115.2V347 C351V347-N349 PolarHBondContact O-N 3.31Å; N349-C351 VanDerWaalsContact C-N 3.32Å; N349-C351 PolarHBondContact O-N 3.32Å
350V41.6Very low35.8Very low31 Ų31100.1 Ų100.119%0.18857%0.573CS.*SBendtrans-73.5-17.9-174.2167.30000114L264 F306 V347L264-V350 HydrophobicContact CD2-CG1 4.28Å; F306-V350 HydrophobicContact CE2-CB 4.45Å; F306-V350 HydrophobicContact CE2-CG1 4.4Å; F306-V350 VanDerWaalsContact CE2-O 3.31Å; F306-V350 WeakPolarHBondContact CE2-O 3.44Å; F306-V350 HydrophobicContact CZ-CB 4.05Å; F306-V350 HydrophobicContact CZ-CG1 3.74Å; F306-V350 HydrophobicContact CZ-CG2 4.01Å; V347-V350 HydrophobicContact CG1-CG2 3.97Å; V347-V350 WeakPolarHBondContact O-CG2 3.31Å; V347-V350 PolarHBondContact O-N 2.93Å
351C39.4Very low35.7Very low38 Ų3899.1 Ų99.126%0.25757%0.567SS.*  trans-166113.3165.2-160.10000108.8N349 E353 I354 S355N349-C351 VanDerWaalsContact C-N 3.32Å; N349-C351 PolarHBondContact O-N 3.32Å; C351-E353 PolarHBondContact O-N 3.44Å; C351-I354 HydrophobicContact CB-CB 4.12Å; C351-I354 HydrophobicContact CB-CD1 4.05Å; C351-I354 HydrophobicContact CB-CG1 4.1Å; C351-I354 PolarHBondContact O-N 3.14Å; C351-S355 PolarHBondContact O-N 3.16Å; C351-S355 PolarHBondContact O-OG 3.24Å
352P38Very low35.9Very low107 Ų107104.8 Ų104.870%0.69559%0.585SS**THydrogen-bonded Turntrans-55.9-21.3-178-24.131.7000114.1S355P352-S355 WeakPolarHBondContact CA-OG 3.16Å; P352-S355 PolarHBondContact O-OG 2.79Å
353E43.9Very low36.1Very low114 Ų11499.7 Ų99.753%0.53358%0.576SS.*THydrogen-bonded Turntrans-92.6-14.6-178-70.8171.713000113.7C351 R399C351-E353 PolarHBondContact O-N 3.44Å; E353-R399 VanDerWaalsContact CB-NH1 3.34Å; E353-R399 VanDerWaalsContact CD-NH1 3.29Å; E353-R399 IonicContact OE1-NH1 2.7Å; E353-R399 IonicContact OE1-NH2 2.69Å; E353-R399 PolarHBondContact OE1-NH2 3.02Å; E353-R399 IonicContact OE2-CZ 3.86Å; E353-R399 IonicContact OE2-NH1 3.92Å; E353-R399 PolarHBondContact OE2-NH1 3.08Å; E353-R399 IonicContact OE2-NH2 3.19Å; E353-R399 PolarHBondContact OE2-NH2 3.27Å
354I45.3Very low35.9Very low9 Ų997.3 Ų97.35%0.04658%0.576CS.*THydrogen-bonded Turntrans-96.5-24.5175.2-63176.2000110.9L264 K267 C351 A356 I357 C403L264-I354 HydrophobicContact CD1-CG2 4.14Å; K267-I354 HydrophobicContact CB-CG2 4.12Å; K267-I354 HydrophobicContact CD-CG2 3.54Å; K267-I354 WeakPolarHBondContact CD-O 3.36Å; K267-I354 WeakPolarHBondContact CE-O 3.48Å; K267-I354 HydrophobicContact CG-CG2 4.44Å; K267-I354 PolarHBondContact NZ-O 3.15Å; C351-I354 HydrophobicContact CB-CB 4.12Å; C351-I354 HydrophobicContact CB-CD1 4.05Å; C351-I354 HydrophobicContact CB-CG1 4.1Å; C351-I354 PolarHBondContact O-N 3.14Å; I354-A356 PolarHBondContact O-N 3.1Å; I354-I357 HydrophobicContact CG2-CD1 4.48Å; I354-I357 PolarHBondContact O-N 3.36Å; I354-C403 WeakPolarHBondContact CD1-SG 3.2Å
355S40.3Very low35.9Very low61 Ų6199.4 Ų99.443%0.42758%0.576SS.*THydrogen-bonded Turntrans-60.6-25.5172.4410000113.1K267 C351 P352 I357K267-S355 PolarHBondContact NZ-O 3.03Å; C351-S355 PolarHBondContact O-N 3.16Å; C351-S355 PolarHBondContact O-OG 3.24Å; P352-S355 WeakPolarHBondContact CA-OG 3.16Å; P352-S355 PolarHBondContact O-OG 2.79Å; S355-I357 VanDerWaalsContact C-N 3.31Å; S355-I357 PolarHBondContact O-N 3.29Å
356A38.7Very low36Very low48 Ų48101.6 Ų101.640%0.39759%0.587SS.*THydrogen-bonded Turntrans-76-0.7-177.400000116.4I354 E358 R389I354-A356 PolarHBondContact O-N 3.1Å; A356-E358 VanDerWaalsContact C-N 3.3Å; A356-E358 PolarHBondContact O-N 3.2Å; A356-R389 PolarHBondContact O-NH1 3Å; A356-R389 PolarHBondContact O-NH2 3.3Å; A356-R389 VanDerWaalsContact O-NH2 3.13Å
357I41Very low35.8Very low47 Ų47101.1 Ų101.124%0.24159%0.591CS.*  trans-72.986.8176.7-56.9175.8000108.5K267 I354 S355K267-I357 HydrophobicContact CB-CD1 4.08Å; K267-I357 HydrophobicContact CD-CB 4.41Å; K267-I357 HydrophobicContact CD-CD1 4.14Å; K267-I357 HydrophobicContact CG-CD1 4.03Å; I354-I357 HydrophobicContact CG2-CD1 4.48Å; I354-I357 PolarHBondContact O-N 3.36Å; S355-I357 VanDerWaalsContact C-N 3.31Å; S355-I357 PolarHBondContact O-N 3.29Å
358E33.6Very low35.6Very low172 Ų172106 Ų10680%0.80461%0.613SS**PPolyproline II helixtrans-76132.9165-70.2177.4167.800109A356A356-E358 VanDerWaalsContact C-N 3.3Å; A356-E358 PolarHBondContact O-N 3.2Å
359T32.8Very low35.4Very low122 Ų122107.5 Ų107.575%0.74863%0.625SS**PPolyproline II helixtrans-59.2140.5169.844.90000109.7D361T359-D361 PolarHBondContact O-N 2.9Å
360P28.8Very low35Very low124 Ų124108 Ų10881%0.80563%0.627SS**PPolyproline II helixtrans-62.7123.3177.1-820.8000109.8E362P360-E362 PolarHBondContact O-N 3.32Å
361D28.8Very low34.5Very low135 Ų135110.8 Ų110.872%0.72265%0.648SS**PPolyproline II helixtrans-61.1125.4167.2-93.9-29.3000109.6T359 S363T359-D361 PolarHBondContact O-N 2.9Å; D361-S363 PolarHBondContact O-N 3.4Å
362E31.3Very low34.2Very low209 Ų209115.4 Ų115.498%0.97768%0.676SS**THydrogen-bonded Turntrans-66.323.1179.7-69.7-162.2127.600114.8P360P360-E362 PolarHBondContact O-N 3.32Å
363S33.8Very low33.9Very low105 Ų105116.6 Ų116.673%0.73468%0.681SS**THydrogen-bonded Turntrans-114.33.4-171.173.60000116.5D361D361-S363 PolarHBondContact O-N 3.4Å
364S30.5Very low33.1Very low103 Ų103116.1 Ų116.172%0.7269%0.69SS**  trans-120.163.8179.374.80000114
365C28.7Very low32.5Very low129 Ų129121.6 Ų121.687%0.87272%0.724SS**  trans-122.5108.7159.2-71.20000109.1
366V31.5Very low32.1Very low130 Ų130123.1 Ų123.179%0.78874%0.74SS**PPolyproline II helixtrans-85.5130.8172.7-176.90000108.1
367P29.1Very low31.4Very low118 Ų118124.9 Ų124.977%0.76676%0.763SS**PPolyproline II helixtrans-76.1132.7178.931.2-32.7000110.1
368I35.3Very low30.8Very low169 Ų169131.3 Ų131.387%0.86779%0.791SS**PPolyproline II helixtrans-102.8119.5165.6-61179.3000107.4
369D33.2Very low30.4Very low152 Ų152132.4 Ų132.481%0.81379%0.794SS**PPolyproline II helixtrans-71.3134.1-177.5-117.9-14.7000112.8
370D29.9Very low30.2Very low145 Ų145132.9 Ų132.978%0.77580%0.796SS**  trans64.2138.7138-136.7-0000123.5
371S31.1Very low30.3Very low90 Ų90131.2 Ų131.263%0.62979%0.786SS**  trans74.780.4152.871.60000118.7
372T32.7Very low30.6Very low135 Ų135128.3 Ų128.383%0.82878%0.777SS**  171.6124.6114.130.30000112.9
373V31.6Very low31.1Very low132 Ų132126.2 Ų126.280%0.877%0.767SS**  trans7595.4149.1-172.40000118.5
374S27.7Very low31.7Very low104 Ų104125.7 Ų125.773%0.72776%0.76SS**  37.3110.2121.7-159.60000118.8
375T31.8Very low32.9Very low124 Ų124123.3 Ų123.376%0.76175%0.746SS**  163112107.5-55.30000109.2
376A31.6Very low34.5Very low92 Ų92119.2 Ų119.276%0.7672%0.718SS**  trans3997.5162.800000117.9H378A376-H378 PolarHBondContact O-N 3Å
377G25.5Very low36.3Very low85 Ų85117 Ų11788%0.87670%0.695SS**  trans-63.2120.2-173.800000116
378H28.3Very low37.9Very low182 Ų182117.7 Ų117.784%0.84369%0.691SS**  trans-84.6113153.2-87.399000108.4A376 V380A376-H378 PolarHBondContact O-N 3Å; H378-V380 PolarHBondContact O-N 3.36Å; H378-V380 VanDerWaalsContact O-N 3.13Å
379F25.2Very low39.6Very low196 Ų196116.6 Ų116.686%0.8668%0.676SS**  trans-77.691.3171.3-154.1-96.3000108.3C381F379-C381 HydrophobicContact CD1-CB 3.77Å; F379-C381 HydrophobicContact CE1-CB 3.75Å; F379-C381 PolarHBondContact O-N 3.23Å
380V27.6Very low41.7Very low132 Ų132110.6 Ų110.680%0.864%0.642SS**  trans-84.583.5170.1-177.70000107.5H378 S382H378-V380 PolarHBondContact O-N 3.36Å; H378-V380 VanDerWaalsContact O-N 3.13Å; V380-S382 PolarHBondContact O-N 3.32Å
381C30.7Very low43.8Very low88 Ų88115 Ų11560%0.59565%0.648SS**  trans-84.1106.8170.5-168.40000109.2F379 Q383F379-C381 HydrophobicContact CD1-CB 3.77Å; F379-C381 HydrophobicContact CE1-CB 3.75Å; F379-C381 PolarHBondContact O-N 3.23Å; C381-Q383 PolarHBondContact O-N 2.85Å
382S35.6Very low46.4Very low75 Ų75113.4 Ų113.452%0.52464%0.637SS.*  trans17.264.2161.3-160.60000118.6V380 T384V380-S382 PolarHBondContact O-N 3.32Å; S382-T384 PolarHBondContact O-N 3.39Å
383Q42Very low49.1Very low165 Ų165109 Ų10977%0.77161%0.612SS**THydrogen-bonded Turntrans-71-6.1168.4-69.6-179.4-2.900112.9C381C381-Q383 PolarHBondContact O-N 2.85Å
384T47Very low51.8Low94 Ų94107.8 Ų107.858%0.57760%0.601SS**THydrogen-bonded Turntrans-88.1-19.9-176.350.30000114.2S382 P386 R387 I388S382-T384 PolarHBondContact O-N 3.39Å; T384-P386 VanDerWaalsContact C-CD 3.47Å; T384-R387 PolarHBondContact O-N 2.91Å; T384-I388 WeakPolarHBondContact O-CG1 3.34Å; T384-I388 PolarHBondContact O-N 3.28Å
385A55.1Low54.8Low52 Ų52104.4 Ų104.443%0.4357%0.574SS.*THydrogen-bonded Turntrans-58.2-41-173.300000115.3R387A385-R387 PolarHBondContact O-N 3.12Å
386P62.5Low57.5Low44 Ų4498.5 Ų98.529%0.28654%0.538SS..THydrogen-bonded Turntrans-69.2-36.5-178.7-15.128.3000112.2L271 T274 T384 I388 Y390L271-P386 HydrophobicContact CD2-CB 4.14Å; T274-P386 HydrophobicContact CG2-CB 4.34Å; T274-P386 HydrophobicContact CG2-CG 4.19Å; T384-P386 VanDerWaalsContact C-CD 3.47Å; P386-I388 PolarHBondContact O-N 3.16Å; P386-Y390 WeakPolarHBondContact O-CE2 3.34Å
387R68.6Low60.5Low84 Ų8494.3 Ų94.332%0.31750%0.503SS..G310 helixtrans-73.3-25.8-171.5-168.4166.7169.3152.30.1113T274 E279 T384 A385 R389 Y390 S393 L396T274-R387 PolarHBondContact O-NH1 2.75Å; E279-R387 VanDerWaalsContact CD-NH2 3.32Å; E279-R387 IonicContact OE1-CZ 3.88Å; E279-R387 IonicContact OE1-NH1 3.87Å; E279-R387 IonicContact OE1-NH2 3.75Å; E279-R387 PolarHBondContact OE1-NH2 2.89Å; E279-R387 IonicContact OE2-CZ 3.19Å; E279-R387 IonicContact OE2-NH1 2.93Å; E279-R387 PolarHBondContact OE2-NH1 3.46Å; E279-R387 IonicContact OE2-NH2 3.97Å; E279-R387 PolarHBondContact OE2-NH2 2.79Å; T384-R387 PolarHBondContact O-N 2.91Å; A385-R387 PolarHBondContact O-N 3.12Å; R387-R389 PolarHBondContact O-N 2.95Å; R387-R389 VanDerWaalsContact O-N 3.15Å; R387-Y390 PolarHBondContact O-N 3.45Å; R387-S393 PolarHBondContact NH2-OG 2.87Å; R387-S393 VanDerWaalsContact NH2-OG 3.15Å; R387-L396 HydrophobicContact CG-CD2 4.37Å
388I63.8Low63.5Low131 Ų13192.5 Ų92.567%0.67247%0.472SS*.G310 helixtrans-61.5-23.4-178.6-67.9164.6000112.8T384 P386 Y390T384-I388 WeakPolarHBondContact O-CG1 3.34Å; T384-I388 PolarHBondContact O-N 3.28Å; P386-I388 PolarHBondContact O-N 3.16Å; I388-Y390 VanDerWaalsContact C-N 3.29Å; I388-Y390 PolarHBondContact O-N 3.35Å
389R70.6Confident66.5Low146 Ų14686 Ų8655%0.55144%0.44SS*.G310 helixtrans-77.6-12.2-178.8-66.3-177.1-179.8-173.9-0.5114.2A356 R387A356-R389 PolarHBondContact O-NH1 3Å; A356-R389 PolarHBondContact O-NH2 3.3Å; A356-R389 VanDerWaalsContact O-NH2 3.13Å; R387-R389 PolarHBondContact O-N 2.95Å; R387-R389 VanDerWaalsContact O-N 3.15Å
390Y76.4Confident69.8Low27 Ų2776.9 Ų76.911%0.10640%0.4CS..SBendtrans-100.3139.1-176.2-61.5-88.5000110.7L271 P386 R387 I388 S392 L396 R399L271-Y390 WeakPolarHBondContact CD1-OH 3.47Å; L271-Y390 HydrophobicContact CD2-CE2 3.55Å; L271-Y390 WeakPolarHBondContact CD2-OH 3.37Å; P386-Y390 WeakPolarHBondContact O-CE2 3.34Å; R387-Y390 PolarHBondContact O-N 3.45Å; I388-Y390 VanDerWaalsContact C-N 3.29Å; I388-Y390 PolarHBondContact O-N 3.35Å; Y390-S392 VanDerWaalsContact C-N 3.26Å; Y390-S392 PolarHBondContact O-N 3.37Å; Y390-L396 HydrophobicContact CD1-CB 4.01Å; Y390-L396 HydrophobicContact CD1-CD1 3.91Å; Y390-L396 HydrophobicContact CD2-CB 4.49Å; Y390-L396 HydrophobicContact CD2-CD1 3.87Å; Y390-L396 HydrophobicContact CE1-CD1 3.76Å; Y390-L396 HydrophobicContact CE2-CD1 3.76Å; Y390-L396 HydrophobicContact CG-CB 3.91Å; Y390-L396 HydrophobicContact CG-CD1 3.95Å; Y390-L396 HydrophobicContact CG-CG 4.43Å; Y390-R399 HydrophobicContact CE1-CB 4.4Å; Y390-R399 VanDerWaalsContact CE1-CD 3.41Å
391R74.7Confident73Confident236 Ų23671.6 Ų71.689%0.89137%0.366SS*.SBendtrans-68-29.3-174.4-65.9-176.1179.8-174.22.2112.5D395R391-D395 HydrophobicContact CB-CB 4.43Å; R391-D395 PolarHBondContact N-OD2 3.39Å
392S85.3Confident75.9Confident58 Ų5870 Ų7041%0.40635%0.354SS..SBendtrans-162168178.967.20000110.6Y390 N394 D395 L396Y390-S392 VanDerWaalsContact C-N 3.26Å; Y390-S392 PolarHBondContact O-N 3.37Å; S392-N394 PolarHBondContact O-N 3.04Å; S392-N394 PolarHBondContact OG-N 3.13Å; S392-D395 WeakPolarHBondContact O-CB 3.35Å; S392-D395 PolarHBondContact O-N 3.47Å; S392-D395 PolarHBondContact OG-N 3.12Å; S392-L396 PolarHBondContact O-N 3.39Å; S392-L396 VanDerWaalsContact O-N 3.09Å
393S88.7Confident78.7Confident43 Ų4367.3 Ų67.330%0.30133%0.334SS..Hα-helixtrans-55.4-37.9169.9-62.40000113E279 R387 L396 I397E279-S393 WeakPolarHBondContact OE1-CB 3.5Å; E279-S393 PolarHBondContact OE1-OG 2.96Å; R387-S393 PolarHBondContact NH2-OG 2.87Å; R387-S393 VanDerWaalsContact NH2-OG 3.15Å; S393-L396 PolarHBondContact O-N 3.12Å; S393-I397 WeakPolarHBondContact O-CB 3.43Å; S393-I397 VanDerWaalsContact O-CG1 3.23Å; S393-I397 WeakPolarHBondContact O-CG1 3.39Å; S393-I397 PolarHBondContact O-N 3.48Å
394N89.7Confident81.3Confident106 Ų10659.4 Ų59.457%0.56730%0.298SS*.Hα-helixtrans-66.6-37.8178.1-76.7-35.7000112.5S392 H398S392-N394 PolarHBondContact O-N 3.04Å; S392-N394 PolarHBondContact OG-N 3.13Å; N394-H398 WeakPolarHBondContact O-CB 3.49Å; N394-H398 PolarHBondContact O-N 2.88Å
395D89.1Confident83.5Confident32 Ų3255 Ų5517%0.17127%0.271CS..Hα-helixtrans-65.8-42.9175.3174.546.1000110.9R391 S392 H398 R399R391-D395 HydrophobicContact CB-CB 4.43Å; R391-D395 PolarHBondContact N-OD2 3.39Å; S392-D395 WeakPolarHBondContact O-CB 3.35Å; S392-D395 PolarHBondContact O-N 3.47Å; S392-D395 PolarHBondContact OG-N 3.12Å; D395-H398 PolarHBondContact O-N 3.08Å; D395-R399 WeakPolarHBondContact O-CB 3.25Å; D395-R399 VanDerWaalsContact O-CG 3.29Å; D395-R399 WeakPolarHBondContact O-CG 3.4Å; D395-R399 PolarHBondContact O-N 3.09Å; D395-R399 IonicContact OD1-CZ 2.65Å; D395-R399 IonicContact OD1-NE 2.74Å; D395-R399 PolarHBondContact OD1-NE 3.23Å; D395-R399 IonicContact OD1-NH2 3.91Å; D395-R399 IonicContact OD2-NE 3.09Å
396L90.1Very high85.2Confident1 Ų153.8 Ų53.81%0.00526%0.263CS..Hα-helixtrans-61.6-50.3173.6175.857.4000112.1L271 L275 R387 Y390 S392 S393 H398 R399 L400L271-L396 HydrophobicContact CB-CD1 4.32Å; L271-L396 HydrophobicContact CD1-CD1 4.4Å; L271-L396 HydrophobicContact CD2-CD1 4.04Å; L271-L396 HydrophobicContact CG-CD1 4.49Å; L275-L396 HydrophobicContact CD2-CD2 3.61Å; L275-L396 HydrophobicContact CD2-CG 4.08Å; R387-L396 HydrophobicContact CG-CD2 4.37Å; Y390-L396 HydrophobicContact CD1-CB 4.01Å; Y390-L396 HydrophobicContact CD1-CD1 3.91Å; Y390-L396 HydrophobicContact CD2-CB 4.49Å; Y390-L396 HydrophobicContact CD2-CD1 3.87Å; Y390-L396 HydrophobicContact CE1-CD1 3.76Å; Y390-L396 HydrophobicContact CE2-CD1 3.76Å; Y390-L396 HydrophobicContact CG-CB 3.91Å; Y390-L396 HydrophobicContact CG-CD1 3.95Å; Y390-L396 HydrophobicContact CG-CG 4.43Å; S392-L396 PolarHBondContact O-N 3.39Å; S392-L396 VanDerWaalsContact O-N 3.09Å; S393-L396 PolarHBondContact O-N 3.12Å; L396-H398 VanDerWaalsContact C-N 3.31Å; L396-H398 PolarHBondContact O-N 3.13Å; L396-R399 PolarHBondContact O-N 2.76Å; L396-L400 HydrophobicContact CD1-CD1 4Å; L396-L400 HydrophobicContact CD1-CG 4.23Å; L396-L400 HydrophobicContact CG-CD1 4.08Å; L396-L400 WeakPolarHBondContact O-CB 3.44Å; L396-L400 WeakPolarHBondContact O-CG 3.47Å; L396-L400 PolarHBondContact O-N 3.43Å
397I93Very high86.7Confident3 Ų351.8 Ų51.82%0.01525%0.25CC..Hα-helixtrans-59.7-42.9178.4-70.1165.5000110.7E279 T282 L283 K286 S393 L400 F401E279-I397 HydrophobicContact CB-CD1 4.06Å; E279-I397 HydrophobicContact CG-CD1 4.27Å; T282-I397 HydrophobicContact CG2-CD1 4.23Å; L283-I397 HydrophobicContact CB-CG2 4.11Å; L283-I397 HydrophobicContact CD1-CG2 4.12Å; K286-I397 HydrophobicContact CD-CG2 4.06Å; S393-I397 WeakPolarHBondContact O-CB 3.43Å; S393-I397 VanDerWaalsContact O-CG1 3.23Å; S393-I397 WeakPolarHBondContact O-CG1 3.39Å; S393-I397 PolarHBondContact O-N 3.48Å; I397-L400 PolarHBondContact O-N 3.47Å; I397-F401 WeakPolarHBondContact O-CB 3.4Å; I397-F401 PolarHBondContact O-N 3.45Å
398H90Very high88Confident47 Ų4747.8 Ų47.822%0.21823%0.234CC..Hα-helixtrans-61.7-47.3178179-108.2000111.9F295 N394 D395 L396 L400 F401 V402F295-H398 AromaticContact CD1-NE2 3.75Å; F295-H398 AromaticContact CE1-CD2 3.42Å; F295-H398 VanDerWaalsContact CE1-CD2 3.42Å; F295-H398 WeakPolarHBondContact CE1-CD2 3.3Å; F295-H398 AromaticContact CE1-NE2 3.16Å; F295-H398 WeakPolarHBondContact CE1-NE2 3.45Å; F295-H398 AromaticContact CZ-NE2 3.98Å; N394-H398 WeakPolarHBondContact O-CB 3.49Å; N394-H398 PolarHBondContact O-N 2.88Å; D395-H398 PolarHBondContact O-N 3.08Å; L396-H398 VanDerWaalsContact C-N 3.31Å; L396-H398 PolarHBondContact O-N 3.13Å; H398-L400 PolarHBondContact O-N 2.93Å; H398-F401 WeakPolarHBondContact O-CB 3.45Å; H398-F401 PolarHBondContact O-N 3.31Å; H398-V402 WeakPolarHBondContact O-CG2 3.48Å; H398-V402 PolarHBondContact O-N 2.94Å
399R90.2Very high89.2Confident47 Ų4743.8 Ų43.818%0.17721%0.214CC..Hα-helixtrans-65.8-38.2178.8-70.6168.9177.5-109.61.8112.4E353 Y390 D395 L396 V402 C403E353-R399 VanDerWaalsContact CB-NH1 3.34Å; E353-R399 VanDerWaalsContact CD-NH1 3.29Å; E353-R399 IonicContact OE1-NH1 2.7Å; E353-R399 IonicContact OE1-NH2 2.69Å; E353-R399 PolarHBondContact OE1-NH2 3.02Å; E353-R399 IonicContact OE2-CZ 3.86Å; E353-R399 IonicContact OE2-NH1 3.92Å; E353-R399 PolarHBondContact OE2-NH1 3.08Å; E353-R399 IonicContact OE2-NH2 3.19Å; E353-R399 PolarHBondContact OE2-NH2 3.27Å; Y390-R399 HydrophobicContact CE1-CB 4.4Å; Y390-R399 VanDerWaalsContact CE1-CD 3.41Å; D395-R399 WeakPolarHBondContact O-CB 3.25Å; D395-R399 VanDerWaalsContact O-CG 3.29Å; D395-R399 WeakPolarHBondContact O-CG 3.4Å; D395-R399 PolarHBondContact O-N 3.09Å; D395-R399 IonicContact OD1-CZ 2.65Å; D395-R399 IonicContact OD1-NE 2.74Å; D395-R399 PolarHBondContact OD1-NE 3.23Å; D395-R399 IonicContact OD1-NH2 3.91Å; D395-R399 IonicContact OD2-NE 3.09Å; L396-R399 PolarHBondContact O-N 2.76Å; R399-V402 PolarHBondContact O-N 3.03Å; R399-C403 PolarHBondContact O-N 3.21Å; R399-C403 PolarHBondContact O-SG 3.02Å
400L94.7Very high90.1Very high3 Ų339.3 Ų39.32%0.01620%0.2CC..Hα-helixtrans-60.5-46.6171.6-80168.5000111.2I268 L271 L272 L275 L283 L396 I397 H398 V402 C403 I404I268-L400 HydrophobicContact CG2-CD2 4.02Å; L271-L400 HydrophobicContact CB-CD1 4.45Å; L271-L400 HydrophobicContact CB-CD2 3.87Å; L271-L400 HydrophobicContact CB-CG 4.47Å; L271-L400 HydrophobicContact CD1-CD2 4.27Å; L272-L400 HydrophobicContact CD2-CD1 4.12Å; L272-L400 HydrophobicContact CD2-CD2 4.18Å; L272-L400 HydrophobicContact CG-CD2 4.2Å; L275-L400 HydrophobicContact CD1-CD1 3.83Å; L275-L400 HydrophobicContact CD2-CD1 4.26Å; L275-L400 HydrophobicContact CG-CD1 4.29Å; L283-L400 HydrophobicContact CD1-CB 4.1Å; L283-L400 HydrophobicContact CD2-CB 4.1Å; L283-L400 HydrophobicContact CD2-CD1 4.15Å; L396-L400 HydrophobicContact CD1-CD1 4Å; L396-L400 HydrophobicContact CD1-CG 4.23Å; L396-L400 HydrophobicContact CG-CD1 4.08Å; L396-L400 WeakPolarHBondContact O-CB 3.44Å; L396-L400 WeakPolarHBondContact O-CG 3.47Å; L396-L400 PolarHBondContact O-N 3.43Å; I397-L400 PolarHBondContact O-N 3.47Å; H398-L400 PolarHBondContact O-N 2.93Å; L400-V402 PolarHBondContact O-N 3.35Å; L400-C403 PolarHBondContact O-N 2.79Å; L400-I404 WeakPolarHBondContact O-CB 3.35Å; L400-I404 WeakPolarHBondContact O-CD1 3.43Å; L400-I404 VanDerWaalsContact O-CG1 3.23Å; L400-I404 WeakPolarHBondContact O-CG1 3.34Å; L400-I404 PolarHBondContact O-N 3.04Å
401F95.3Very high90.9Very high22 Ų2238 Ų3810%0.09620%0.195CC..Hα-helixtrans-55.4-52.1175.1170-91.7000111.5L283 K286 L287 F295 I397 H398 C403 I404 A405L283-F401 HydrophobicContact CD1-CB 4.11Å; K286-F401 HydrophobicContact CB-CD2 4.04Å; K286-F401 HydrophobicContact CB-CE2 4.48Å; K286-F401 VanDerWaalsContact O-CE2 3.29Å; K286-F401 WeakPolarHBondContact O-CE2 3.34Å; L287-F401 HydrophobicContact CD2-CD2 3.65Å; L287-F401 HydrophobicContact CD2-CE2 4.28Å; L287-F401 HydrophobicContact CD2-CG 4.44Å; L287-F401 HydrophobicContact CG-CD2 4.22Å; F295-F401 AromaticContact CE2-CE1 3.99Å; F295-F401 HydrophobicContact CE2-CE1 3.99Å; F295-F401 HydrophobicContact CZ-CD1 4.13Å; F295-F401 AromaticContact CZ-CE1 3.75Å; F295-F401 HydrophobicContact CZ-CE1 3.75Å; I397-F401 WeakPolarHBondContact O-CB 3.4Å; I397-F401 PolarHBondContact O-N 3.45Å; H398-F401 WeakPolarHBondContact O-CB 3.45Å; H398-F401 PolarHBondContact O-N 3.31Å; F401-C403 VanDerWaalsContact C-N 3.33Å; F401-C403 PolarHBondContact O-N 2.88Å; F401-I404 PolarHBondContact O-N 2.85Å; F401-A405 VanDerWaalsContact O-CB 3.22Å; F401-A405 WeakPolarHBondContact O-CB 3.46Å; F401-A405 PolarHBondContact O-N 3.02Å
402V91.9Very high91.5Very high55 Ų5528.9 Ų28.933%0.33316%0.162SC..Hα-helixtrans-59-43.4-179.4172.60000111.5H398 R399 L400 G406H398-V402 WeakPolarHBondContact O-CG2 3.48Å; H398-V402 PolarHBondContact O-N 2.94Å; R399-V402 PolarHBondContact O-N 3.03Å; L400-V402 PolarHBondContact O-N 3.35Å; V402-G406 PolarHBondContact O-N 3.26Å
403C93.2Very high91.6Very high17 Ų1730.3 Ų30.312%0.11517%0.172CC..Hα-helixtrans-68.2-44.4-179.9-64.70000112.4I268 I354 R399 L400 F401 G406 I407I268-C403 HydrophobicContact CD1-CB 3.91Å; I268-C403 HydrophobicContact CG1-CB 4.26Å; I354-C403 WeakPolarHBondContact CD1-SG 3.2Å; R399-C403 PolarHBondContact O-N 3.21Å; R399-C403 PolarHBondContact O-SG 3.02Å; L400-C403 PolarHBondContact O-N 2.79Å; F401-C403 VanDerWaalsContact C-N 3.33Å; F401-C403 PolarHBondContact O-N 2.88Å; C403-G406 PolarHBondContact O-N 2.89Å; C403-I407 WeakPolarHBondContact O-CG1 3.48Å; C403-I407 PolarHBondContact O-N 3.2Å
404I96.2Very high91.6Very high0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-67.1-45.6-179.5-67.8164.9000110.3R230 I233 V234 I268 L283 L287 L400 F401 G406 I407 A408R230-I404 HydrophobicContact CB-CG2 4.17Å; R230-I404 VanDerWaalsContact O-CG2 3.31Å; R230-I404 WeakPolarHBondContact O-CG2 3.32Å; I233-I404 HydrophobicContact CB-CG2 4.05Å; I233-I404 HydrophobicContact CD1-CG2 3.98Å; I233-I404 HydrophobicContact CG2-CG1 4.17Å; I233-I404 HydrophobicContact CG2-CG2 4.2Å; V234-I404 HydrophobicContact CG2-CD1 3.72Å; I268-I404 HydrophobicContact CD1-CG1 4.28Å; I268-I404 HydrophobicContact CG2-CD1 4.22Å; I268-I404 HydrophobicContact CG2-CG1 4.09Å; L283-I404 HydrophobicContact CD2-CD1 4.37Å; L287-I404 HydrophobicContact CD1-CD1 4.07Å; L287-I404 HydrophobicContact CD1-CG2 4.21Å; L287-I404 HydrophobicContact CD2-CB 3.92Å; L287-I404 HydrophobicContact CD2-CG2 3.65Å; L400-I404 WeakPolarHBondContact O-CB 3.35Å; L400-I404 WeakPolarHBondContact O-CD1 3.43Å; L400-I404 VanDerWaalsContact O-CG1 3.23Å; L400-I404 WeakPolarHBondContact O-CG1 3.34Å; L400-I404 PolarHBondContact O-N 3.04Å; F401-I404 PolarHBondContact O-N 2.85Å; I404-G406 VanDerWaalsContact C-N 3.35Å; I404-G406 PolarHBondContact O-N 3.41Å; I404-I407 PolarHBondContact O-N 3.13Å; I404-A408 WeakPolarHBondContact O-CB 3.28Å; I404-A408 PolarHBondContact O-N 3.08Å
405A93.9Very high91.6Very high2 Ų229.1 Ų29.12%0.01716%0.163CC..Hα-helixtrans-59.9-45.1174.800000111.2F401 I407 A408 D409F401-A405 VanDerWaalsContact O-CB 3.22Å; F401-A405 WeakPolarHBondContact O-CB 3.46Å; F401-A405 PolarHBondContact O-N 3.02Å; A405-I407 PolarHBondContact O-N 3.36Å; A405-A408 PolarHBondContact O-N 2.79Å; A405-D409 WeakPolarHBondContact O-CB 3.42Å; A405-D409 PolarHBondContact O-N 2.91Å
406G91.4Very high91.6Very high25 Ų2530.5 Ų30.526%0.25817%0.173SC..Hα-helixtrans-60.9-38.417800000114.1V402 C403 I404 Q410V402-G406 PolarHBondContact O-N 3.26Å; C403-G406 PolarHBondContact O-N 2.89Å; I404-G406 VanDerWaalsContact C-N 3.35Å; I404-G406 PolarHBondContact O-N 3.41Å; G406-Q410 WeakPolarHBondContact O-CB 3.23Å; G406-Q410 WeakPolarHBondContact O-CG 3.42Å; G406-Q410 PolarHBondContact O-N 3.36Å; G406-Q410 VanDerWaalsContact O-N 3.11Å
407I94.6Very high91.4Very high2 Ų233 Ų331%0.0119%0.191CC..Hα-helixtrans-67.3-47.9173.3-65.2170.1000110.4I233 F261 L264 L265 I268 C403 I404 A405 D409 Q410 W411I233-I407 HydrophobicContact CD1-CB 3.96Å; I233-I407 HydrophobicContact CD1-CG2 3.79Å; F261-I407 HydrophobicContact CB-CD1 4.34Å; F261-I407 HydrophobicContact CB-CG1 4.49Å; F261-I407 HydrophobicContact CB-CG2 4.35Å; F261-I407 HydrophobicContact CD1-CB 4.47Å; F261-I407 HydrophobicContact CD1-CG1 3.88Å; F261-I407 HydrophobicContact CD1-CG2 4.15Å; F261-I407 HydrophobicContact CD2-CG2 4Å; F261-I407 HydrophobicContact CE1-CG1 4.44Å; F261-I407 HydrophobicContact CE2-CG2 4.39Å; F261-I407 HydrophobicContact CG-CG1 4.25Å; F261-I407 HydrophobicContact CG-CG2 3.88Å; L264-I407 HydrophobicContact CD2-CD1 3.73Å; L264-I407 HydrophobicContact CD2-CG1 3.83Å; L264-I407 HydrophobicContact CG-CD1 3.99Å; L265-I407 HydrophobicContact CD2-CD1 3.79Å; L265-I407 HydrophobicContact CG-CD1 4.27Å; I268-I407 HydrophobicContact CD1-CD1 3.58Å; C403-I407 WeakPolarHBondContact O-CG1 3.48Å; C403-I407 PolarHBondContact O-N 3.2Å; I404-I407 PolarHBondContact O-N 3.13Å; A405-I407 PolarHBondContact O-N 3.36Å; I407-D409 VanDerWaalsContact C-N 3.32Å; I407-D409 PolarHBondContact O-N 2.94Å; I407-Q410 PolarHBondContact O-N 3.05Å; I407-Q410 VanDerWaalsContact O-N 3.14Å; I407-W411 HydrophobicContact CG2-CD2 4.45Å; I407-W411 HydrophobicContact CG2-CZ2 3.83Å; I407-W411 PolarHBondContact O-N 3.01Å
408A94Very high91.2Very high0 Ų034.6 Ų34.60%020%0.199CC..Hα-helixtrans-60.8-38.7-179.500000112.8P229 R230 I233 I404 A405 W411 Q412P229-A408 HydrophobicContact CB-CB 4Å; R230-A408 HydrophobicContact CG-CB 3.58Å; I233-A408 HydrophobicContact CD1-CB 4.24Å; I404-A408 WeakPolarHBondContact O-CB 3.28Å; I404-A408 PolarHBondContact O-N 3.08Å; A405-A408 PolarHBondContact O-N 2.79Å; A408-W411 WeakPolarHBondContact O-CB 3.4Å; A408-W411 PolarHBondContact O-N 3.5Å; A408-Q412 PolarHBondContact O-N 3.36Å; A408-Q412 PolarHBondContact O-NE2 2.66Å
409D89.9Confident91.3Very high47 Ų4732.7 Ų32.725%0.25119%0.191SC..Hα-helixtrans-72.4-32.8176.6-65.7-9.5000111.1R230 A405 I407 W411 Q412 S413R230-D409 IonicContact NH2-OD1 2.97Å; R230-D409 PolarHBondContact NH2-OD1 3.42Å; R230-D409 IonicContact NH2-OD2 2.74Å; A405-D409 WeakPolarHBondContact O-CB 3.42Å; A405-D409 PolarHBondContact O-N 2.91Å; I407-D409 VanDerWaalsContact C-N 3.32Å; I407-D409 PolarHBondContact O-N 2.94Å; D409-W411 VanDerWaalsContact C-N 3.34Å; D409-Q412 PolarHBondContact O-N 3.44Å; D409-Q412 PolarHBondContact OD1-NE2 2.96Å; D409-S413 PolarHBondContact O-N 3.49Å; D409-S413 VanDerWaalsContact O-N 3.08Å; D409-S413 PolarHBondContact O-OG 3.03Å
410Q89.8Confident91.2Very high53 Ų5337.4 Ų37.425%0.24821%0.208CC..Hα-helixtrans-67-33.3170.6-77.6-172.641.300112.8F261 G406 I407 Q412 S413 T414F261-Q410 HydrophobicContact CE1-CB 4.13Å; F261-Q410 HydrophobicContact CZ-CB 3.66Å; F261-Q410 HydrophobicContact CZ-CG 4.47Å; F261-Q410 VanDerWaalsContact CZ-OE1 3.3Å; G406-Q410 WeakPolarHBondContact O-CB 3.23Å; G406-Q410 WeakPolarHBondContact O-CG 3.42Å; G406-Q410 PolarHBondContact O-N 3.36Å; G406-Q410 VanDerWaalsContact O-N 3.11Å; I407-Q410 PolarHBondContact O-N 3.05Å; I407-Q410 VanDerWaalsContact O-N 3.14Å; Q410-Q412 VanDerWaalsContact C-N 3.34Å; Q410-S413 WeakPolarHBondContact CA-OG 3.31Å; Q410-S413 PolarHBondContact O-N 3.18Å; Q410-S413 PolarHBondContact O-OG 2.98Å; Q410-T414 WeakPolarHBondContact O-CB 3.33Å; Q410-T414 PolarHBondContact O-N 2.88Å; Q410-T414 PolarHBondContact O-OG1 3.36Å
411W92.3Very high90.8Very high0 Ų038.4 Ų38.40%022%0.215CC..Hα-helixtrans-62-42.9171.2-67.8-11.2000112M195 F199 P229 I233 M257 L258 F261 I407 A408 D409 S413 Y415M195-W411 HydrophobicContact CE-CH2 4.22Å; M195-W411 HydrophobicContact CE-CZ3 4.37Å; F199-W411 HydrophobicContact CE2-CZ3 4.13Å; F199-W411 HydrophobicContact CZ-CE3 4.25Å; F199-W411 AromaticContact CZ-CZ3 3.9Å; F199-W411 HydrophobicContact CZ-CZ3 3.9Å; P229-W411 HydrophobicContact CB-CE3 4.12Å; P229-W411 HydrophobicContact CB-CZ3 4.35Å; I233-W411 HydrophobicContact CD1-CH2 3.86Å; I233-W411 HydrophobicContact CD1-CZ2 4.23Å; I233-W411 HydrophobicContact CD1-CZ3 4.13Å; I233-W411 HydrophobicContact CG1-CH2 3.38Å; I233-W411 HydrophobicContact CG1-CZ2 4.06Å; I233-W411 HydrophobicContact CG1-CZ3 3.86Å; M257-W411 HydrophobicContact CE-CB 4.03Å; M257-W411 HydrophobicContact CE-CD2 4.32Å; M257-W411 HydrophobicContact CE-CG 4.09Å; M257-W411 PolarHBondContact O-NE1 3.13Å; L258-W411 HydrophobicContact CD2-CH2 3.79Å; L258-W411 HydrophobicContact CD2-CZ2 3.23Å; F261-W411 AromaticContact CD2-NE1 3.59Å; F261-W411 AromaticContact CE2-CD1 3.65Å; F261-W411 AromaticContact CE2-NE1 3.51Å; I407-W411 HydrophobicContact CG2-CD2 4.45Å; I407-W411 HydrophobicContact CG2-CZ2 3.83Å; I407-W411 PolarHBondContact O-N 3.01Å; A408-W411 WeakPolarHBondContact O-CB 3.4Å; A408-W411 PolarHBondContact O-N 3.5Å; D409-W411 VanDerWaalsContact C-N 3.34Å; W411-S413 VanDerWaalsContact C-N 3.34Å; W411-S413 PolarHBondContact O-N 2.92Å; W411-Y415 CarbonylContact O-C 3.49Å; W411-Y415 VanDerWaalsContact O-CA 3.32Å; W411-Y415 WeakPolarHBondContact O-CA 3.42Å; W411-Y415 PolarHBondContact O-N 3.38Å
412Q87.3Confident90.5Very high43 Ų4337.5 Ų37.520%0.20121%0.211CC..Hα-helixtrans-64.5-37.4178.2-71171.967.700112.7F226 A408 D409 Q410 P416 L419F226-Q412 VanDerWaalsContact CE1-OE1 3.25Å; A408-Q412 PolarHBondContact O-N 3.36Å; A408-Q412 PolarHBondContact O-NE2 2.66Å; D409-Q412 PolarHBondContact O-N 3.44Å; D409-Q412 PolarHBondContact OD1-NE2 2.96Å; Q410-Q412 VanDerWaalsContact C-N 3.34Å; Q412-P416 WeakPolarHBondContact O-CB 3.34Å; Q412-L419 HydrophobicContact CB-CD2 4.28Å; Q412-L419 HydrophobicContact CG-CD2 3.43Å; Q412-L419 VanDerWaalsContact CG-CD2 3.43Å
413S87.3Confident90.4Very high88 Ų8835.5 Ų35.562%0.61520%0.199SC*.Hα-helixtrans-84.8-35.4-178.650.10000114.1D409 Q410 W411D409-S413 PolarHBondContact O-N 3.49Å; D409-S413 VanDerWaalsContact O-N 3.08Å; D409-S413 PolarHBondContact O-OG 3.03Å; Q410-S413 WeakPolarHBondContact CA-OG 3.31Å; Q410-S413 PolarHBondContact O-N 3.18Å; Q410-S413 PolarHBondContact O-OG 2.98Å; W411-S413 VanDerWaalsContact C-N 3.34Å; W411-S413 PolarHBondContact O-N 2.92Å
414T88.9Confident90Very high81 Ų8139.5 Ų39.550%0.49721%0.214SC..Hα-helixtrans-95.5-32.4-173.8-48.30000112.5Q410Q410-T414 WeakPolarHBondContact O-CB 3.33Å; Q410-T414 PolarHBondContact O-N 2.88Å; Q410-T414 PolarHBondContact O-OG1 3.36Å
415Y90.7Very high89.6Confident44 Ų4442.1 Ų42.117%0.17323%0.23CC..SBendtrans-126.846.8-177-55.2-84.8000112.3E256 M257 P260 W411 S417 D418 L419E256-Y415 PolarHBondContact O-OH 3.11Å; M257-Y415 HydrophobicContact CB-CD2 4.33Å; M257-Y415 HydrophobicContact CB-CG 4.35Å; M257-Y415 HydrophobicContact CG-CD1 3.95Å; M257-Y415 HydrophobicContact CG-CD2 4.23Å; M257-Y415 HydrophobicContact CG-CG 3.75Å; P260-Y415 WeakPolarHBondContact CG-OH 3.41Å; W411-Y415 CarbonylContact O-C 3.49Å; W411-Y415 VanDerWaalsContact O-CA 3.32Å; W411-Y415 WeakPolarHBondContact O-CA 3.42Å; W411-Y415 PolarHBondContact O-N 3.38Å; Y415-S417 VanDerWaalsContact C-N 3.31Å; Y415-S417 PolarHBondContact O-N 3.1Å; Y415-D418 PolarHBondContact O-N 2.98Å; Y415-L419 WeakPolarHBondContact O-CB 3.44Å; Y415-L419 PolarHBondContact O-N 3.5Å
416P89.2Confident89.2Confident61 Ų6143.2 Ų43.240%0.39624%0.235SC..Hα-helixtrans-60-39.7-173.823-33.2000112.7Q412 R420Q412-P416 WeakPolarHBondContact O-CB 3.34Å; P416-R420 WeakPolarHBondContact O-CB 3.45Å; P416-R420 PolarHBondContact O-N 3.25Å
417S85.6Confident88.8Confident53 Ų5344.4 Ų44.437%0.37123%0.233SC..Hα-helixtrans-67.5-45.9-179.7-53.50000111.4Y415 R420 V421Y415-S417 VanDerWaalsContact C-N 3.31Å; Y415-S417 PolarHBondContact O-N 3.1Å; S417-R420 WeakPolarHBondContact O-CB 3.43Å; S417-R420 PolarHBondContact O-N 3.22Å; S417-V421 WeakPolarHBondContact O-CG2 3.37Å; S417-V421 PolarHBondContact O-N 3.37Å
418D89.2Confident87.7Confident37 Ų3750.5 Ų50.520%0.19826%0.262CS..Hα-helixtrans-66.6-41180-66.3-55.1000112.4K184 Q192 M257 Y415 R420 V421 V422K184-D418 WeakPolarHBondContact CE-OD1 3.29Å; K184-D418 IonicContact NZ-OD1 3.13Å; K184-D418 PolarHBondContact NZ-OD1 3.04Å; Q192-D418 VanDerWaalsContact NE2-CA 3.34Å; Q192-D418 PolarHBondContact NE2-O 3.05Å; Q192-D418 PolarHBondContact NE2-OD1 2.98Å; M257-D418 HydrophobicContact CG-CB 4.27Å; M257-D418 HydrophobicContact SD-CB 3.67Å; Y415-D418 PolarHBondContact O-N 2.98Å; D418-R420 VanDerWaalsContact C-N 3.33Å; D418-V421 PolarHBondContact O-N 3.08Å; D418-V422 WeakPolarHBondContact O-CG2 3.42Å; D418-V422 PolarHBondContact O-N 2.71Å
419L91.1Very high85.8Confident7 Ų754.7 Ų54.74%0.03729%0.289CS..Hα-helixtrans-64.9-39.3174.8-175.362.2000111.2F199 P229 M257 Q412 Y415 V422 L423F199-L419 HydrophobicContact CE1-CD1 3.72Å; F199-L419 HydrophobicContact CZ-CD1 4.01Å; P229-L419 HydrophobicContact CG-CD1 4.26Å; P229-L419 HydrophobicContact CG-CD2 4.48Å; M257-L419 HydrophobicContact CE-CB 4.03Å; M257-L419 HydrophobicContact CE-CD1 4.29Å; Q412-L419 HydrophobicContact CB-CD2 4.28Å; Q412-L419 HydrophobicContact CG-CD2 3.43Å; Q412-L419 VanDerWaalsContact CG-CD2 3.43Å; Y415-L419 WeakPolarHBondContact O-CB 3.44Å; Y415-L419 PolarHBondContact O-N 3.5Å; L419-V422 PolarHBondContact O-N 2.94Å; L419-L423 HydrophobicContact CD1-CD1 4.39Å; L419-L423 HydrophobicContact CD1-CG 4.4Å; L419-L423 HydrophobicContact CG-CD1 4.06Å; L419-L423 HydrophobicContact CG-CG 4.47Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 3.43Å
420R88.5Confident83.8Confident145 Ų14557.5 Ų57.555%0.54731%0.308SS..Hα-helixtrans-62.5-43175.2-178-176.9-60.2-156.4-0.8111.7P416 S417 D418 L423 K424P416-R420 WeakPolarHBondContact O-CB 3.45Å; P416-R420 PolarHBondContact O-N 3.25Å; S417-R420 WeakPolarHBondContact O-CB 3.43Å; S417-R420 PolarHBondContact O-N 3.22Å; D418-R420 VanDerWaalsContact C-N 3.33Å; R420-L423 PolarHBondContact O-N 3.35Å; R420-K424 HydrophobicContact CG-CD 3.96Å; R420-K424 HydrophobicContact CG-CG 4.21Å; R420-K424 VanDerWaalsContact O-CB 3.26Å; R420-K424 WeakPolarHBondContact O-CB 3.41Å; R420-K424 VanDerWaalsContact O-CG 3.25Å; R420-K424 WeakPolarHBondContact O-CG 3.27Å; R420-K424 PolarHBondContact O-N 3.25Å
421V85.6Confident81.2Confident25 Ų2562.8 Ų62.815%0.15234%0.336CS..Hα-helixtrans-58.2-50.3174170.50000109.8D91 S417 D418 L423 K424 T425D91-V421 WeakPolarHBondContact OD1-CG2 3.31Å; S417-V421 WeakPolarHBondContact O-CG2 3.37Å; S417-V421 PolarHBondContact O-N 3.37Å; D418-V421 PolarHBondContact O-N 3.08Å; V421-L423 PolarHBondContact O-N 2.98Å; V421-K424 PolarHBondContact O-N 2.93Å; V421-T425 PolarHBondContact O-N 3.21Å; V421-T425 PolarHBondContact O-OG1 3.07Å
422V90.5Very high78.6Confident2 Ų268.8 Ų68.81%0.01237%0.368CS..Hα-helixtrans-55.8-49.3179.1169.10000111.8Q192 M195 V196 F199 D418 L419 I426Q192-V422 HydrophobicContact CG-CG2 4.09Å; M195-V422 HydrophobicContact CB-CG2 4.19Å; V196-V422 HydrophobicContact CG2-CB 4.31Å; V196-V422 HydrophobicContact CG2-CG1 4.29Å; V196-V422 HydrophobicContact CG2-CG2 4.04Å; F199-V422 HydrophobicContact CB-CG1 4.05Å; F199-V422 HydrophobicContact CD1-CG1 3.72Å; F199-V422 HydrophobicContact CD2-CG1 4.31Å; F199-V422 HydrophobicContact CE1-CG1 4.2Å; F199-V422 HydrophobicContact CG-CG1 3.78Å; D418-V422 WeakPolarHBondContact O-CG2 3.42Å; D418-V422 PolarHBondContact O-N 2.71Å; L419-V422 PolarHBondContact O-N 2.94Å; V422-I426 HydrophobicContact CG1-CD1 4.06Å; V422-I426 WeakPolarHBondContact O-CD1 3.26Å; V422-I426 VanDerWaalsContact O-CG1 3.29Å; V422-I426 WeakPolarHBondContact O-CG1 3.25Å; V422-I426 PolarHBondContact O-N 3.03Å
423L89.4Confident76.1Confident14 Ų1473.3 Ų73.37%0.07339%0.393CS..Hα-helixtrans-68.3-42.5-179.4-65171.9000112F199 M225 L228 L419 R420 V421 T425 I426 F427F199-L423 HydrophobicContact CD1-CD2 4.11Å; F199-L423 HydrophobicContact CE1-CD2 4.37Å; M225-L423 HydrophobicContact CG-CD1 4.46Å; L228-L423 HydrophobicContact CD2-CD2 3.88Å; L419-L423 HydrophobicContact CD1-CD1 4.39Å; L419-L423 HydrophobicContact CD1-CG 4.4Å; L419-L423 HydrophobicContact CG-CD1 4.06Å; L419-L423 HydrophobicContact CG-CG 4.47Å; L419-L423 VanDerWaalsContact O-CG 3.31Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 3.43Å; R420-L423 PolarHBondContact O-N 3.35Å; V421-L423 PolarHBondContact O-N 2.98Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 3.22Å; L423-I426 PolarHBondContact O-N 3.5Å; L423-I426 VanDerWaalsContact O-N 3.12Å; L423-F427 HydrophobicContact CB-CD2 4.39Å; L423-F427 HydrophobicContact CB-CE2 4.42Å; L423-F427 HydrophobicContact CD2-CE2 4.1Å; L423-F427 WeakPolarHBondContact O-CD2 3.39Å; L423-F427 PolarHBondContact O-N 2.99Å
424K85.2Confident73.6Confident100 Ų10078.5 Ų78.544%0.43541%0.408SS..Hα-helixtrans-57.2-45.6176.6-81.3175.2175.6172.80111.1D91 R420 V421 I426 F427 H428D91-K424 IonicContact OD2-NZ 3.32Å; D91-K424 PolarHBondContact OD2-NZ 2.9Å; R420-K424 HydrophobicContact CG-CD 3.96Å; R420-K424 HydrophobicContact CG-CG 4.21Å; R420-K424 VanDerWaalsContact O-CB 3.26Å; R420-K424 WeakPolarHBondContact O-CB 3.41Å; R420-K424 VanDerWaalsContact O-CG 3.25Å; R420-K424 WeakPolarHBondContact O-CG 3.27Å; R420-K424 PolarHBondContact O-N 3.25Å; V421-K424 PolarHBondContact O-N 2.93Å; K424-I426 PolarHBondContact O-N 3.45Å; K424-F427 PolarHBondContact O-N 2.94Å; K424-H428 CarbonylContact O-C 3.41Å; K424-H428 WeakPolarHBondContact O-CA 3.37Å; K424-H428 WeakPolarHBondContact O-CB 3.36Å; K424-H428 PolarHBondContact O-N 3.32Å
425T86.5Confident71.1Confident55 Ų5578.5 Ų78.534%0.33741%0.405SS..Hα-helixtrans-61.9-29.6179-53.70000112.8V196 V421 L423V196-T425 HydrophobicContact CG1-CG2 3.72Å; V196-T425 HydrophobicContact CG2-CG2 4.41Å; V421-T425 PolarHBondContact O-N 3.21Å; V421-T425 PolarHBondContact O-OG1 3.07Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 3.22Å
426I86.9Confident68.2Low26 Ų2683.1 Ų83.113%0.13344%0.44CS..Hα-helixtrans-80.3-45.3-179.9-64162.7000111.9V196 F199 L203 V422 L423 K424V196-I426 HydrophobicContact CG1-CG1 4.15Å; F199-I426 HydrophobicContact CB-CD1 3.27Å; F199-I426 HydrophobicContact CD1-CD1 4.38Å; F199-I426 HydrophobicContact CG-CD1 4.28Å; L203-I426 HydrophobicContact CD2-CG2 3.61Å; V422-I426 HydrophobicContact CG1-CD1 4.06Å; V422-I426 WeakPolarHBondContact O-CD1 3.26Å; V422-I426 VanDerWaalsContact O-CG1 3.29Å; V422-I426 WeakPolarHBondContact O-CG1 3.25Å; V422-I426 PolarHBondContact O-N 3.03Å; L423-I426 PolarHBondContact O-N 3.5Å; L423-I426 VanDerWaalsContact O-N 3.12Å; K424-I426 PolarHBondContact O-N 3.45Å
427F82.2Confident65.6Low49 Ų4984 Ų8422%0.21545%0.448CS..Hα-helixtrans-86.3-25.7-175.9-66.6-68.3000113.6L203 I217 I224 L228 L423 K424 P429L203-F427 HydrophobicContact CD2-CE1 3.76Å; L203-F427 HydrophobicContact CD2-CZ 3.91Å; I217-F427 HydrophobicContact CG2-CD1 4.23Å; I217-F427 HydrophobicContact CG2-CE1 4.09Å; I224-F427 HydrophobicContact CD1-CE1 4.37Å; I224-F427 HydrophobicContact CD1-CZ 4.45Å; I224-F427 HydrophobicContact CG2-CE1 4.41Å; I224-F427 HydrophobicContact CG2-CE2 4.12Å; I224-F427 HydrophobicContact CG2-CZ 3.54Å; L228-F427 HydrophobicContact CD2-CE2 4.49Å; L228-F427 HydrophobicContact CD2-CZ 4.3Å; L423-F427 HydrophobicContact CB-CD2 4.39Å; L423-F427 HydrophobicContact CB-CE2 4.42Å; L423-F427 HydrophobicContact CD2-CE2 4.1Å; L423-F427 WeakPolarHBondContact O-CD2 3.39Å; L423-F427 PolarHBondContact O-N 2.99Å; K424-F427 PolarHBondContact O-N 2.94Å; F427-P429 VanDerWaalsContact C-CD 3.44Å; F427-P429 WeakPolarHBondContact O-CD 3.38Å
428H70.5Confident63Low131 Ų13184.8 Ų84.861%0.60646%0.464SS*.SBendtrans-119.775173.9-61.473.5000106.9K424 V430K424-H428 CarbonylContact O-C 3.41Å; K424-H428 WeakPolarHBondContact O-CA 3.37Å; K424-H428 WeakPolarHBondContact O-CB 3.36Å; K424-H428 PolarHBondContact O-N 3.32Å; H428-V430 PolarHBondContact O-N 3.02Å; H428-V430 VanDerWaalsContact O-N 3.08Å
429P55.5Low60.3Low87 Ų8791.5 Ų91.557%0.56549%0.492SS*.  trans-52.8126.7168.423.8-31.4000106.2F427 I431F427-P429 VanDerWaalsContact C-CD 3.44Å; F427-P429 WeakPolarHBondContact O-CD 3.38Å; P429-I431 PolarHBondContact O-N 3.21Å
430V48.2Very low57.7Low107 Ų10797.7 Ų97.765%0.64852%0.523SS*.  trans-48.2117.3166.6-177.60000104.2H428 D432H428-V430 PolarHBondContact O-N 3.02Å; H428-V430 VanDerWaalsContact O-N 3.08Å; V430-D432 PolarHBondContact O-N 2.84Å
431I34.4Very low55.3Low164 Ų16499.8 Ų99.884%0.84154%0.537SS*.  trans-66.489.3168.1-62.9176000102.7P429 D433P429-I431 PolarHBondContact O-N 3.21Å; I431-D433 PolarHBondContact O-N 2.78Å; I431-D433 VanDerWaalsContact O-N 3.11Å
432D36.8Very low53Low125 Ų125107.6 Ų107.667%0.66857%0.572SS**  trans-59113.9176.9-75.4-32.6000106.3V430 E434V430-D432 PolarHBondContact O-N 2.84Å; D432-E434 PolarHBondContact O-N 3.29Å
433D36.5Very low50.7Low139 Ų139114.7 Ų114.774%0.74361%0.605SS**  trans-47.8121.9147-82.4-47.3000106.7I431 D435I431-D433 PolarHBondContact O-N 2.78Å; I431-D433 VanDerWaalsContact O-N 3.11Å; D433-D435 PolarHBondContact O-N 2.9Å
434E34.2Very low48.2Very low196 Ų196118.5 Ų118.592%0.91664%0.638SS**SBendtrans-50.2103.3-173.9-59.7-172.3138.700113.3D432D432-E434 PolarHBondContact O-N 3.29Å
435D35.4Very low46Very low81 Ų81116.4 Ų116.443%0.43365%0.645SS.*  trans-176114.8142.3-161.3-18.4000112.9R78 D433 S437R78-D435 IonicContact NH1-OD2 3.64Å; D433-D435 PolarHBondContact O-N 2.9Å; D435-S437 VanDerWaalsContact CG-OG 3.22Å; D435-S437 PolarHBondContact O-N 2.83Å; D435-S437 WeakPolarHBondContact OD1-CB 3.38Å; D435-S437 PolarHBondContact OD1-N 2.99Å; D435-S437 PolarHBondContact OD1-OG 3.41Å; D435-S437 PolarHBondContact OD2-OG 3.5Å
436P31.5Very low43.6Very low142 Ų142122.2 Ų122.292%0.92267%0.668SS**THydrogen-bonded Turntrans-73.617.1176.6-13.529.2000116.2
437S33.3Very low41.3Very low79 Ų79126.5 Ų126.555%0.55270%0.695SS**THydrogen-bonded Turntrans-124.914.3-165.571.70000117.5D435 K439D435-S437 VanDerWaalsContact CG-OG 3.22Å; D435-S437 PolarHBondContact O-N 2.83Å; D435-S437 WeakPolarHBondContact OD1-CB 3.38Å; D435-S437 PolarHBondContact OD1-N 2.99Å; D435-S437 PolarHBondContact OD1-OG 3.41Å; D435-S437 PolarHBondContact OD2-OG 3.5Å; S437-K439 PolarHBondContact O-N 2.84Å
438G31.8Very low39.1Very low69 Ų69126.9 Ų126.971%0.71171%0.707SS**  trans-68.998.5174.700000113.3I440G438-I440 PolarHBondContact O-N 3.05Å
439K32.3Very low37.6Very low179 Ų179131.7 Ų131.778%0.77872%0.72SS**  trans-55.7119.4172.4-70.4175.3178.8174.50110.5S437 F441S437-K439 PolarHBondContact O-N 2.84Å; K439-F441 PolarHBondContact O-N 3.21Å; K439-F441 VanDerWaalsContact O-N 3.1Å
440I36.2Very low36.7Very low137 Ų137138.5 Ų138.570%0.70373%0.734SS**  trans-56.5113.1167.3-59.8170000107.6G438 E442G438-I440 PolarHBondContact O-N 3.05Å; I440-E442 PolarHBondContact O-N 3.22Å
441F38.6Very low35.9Very low188 Ų188140 Ų14083%0.82575%0.746SS**  trans-75.1115.9169.5-85.9-91.8000108.7K439 E443K439-F441 PolarHBondContact O-N 3.21Å; K439-F441 VanDerWaalsContact O-N 3.1Å; F441-E443 PolarHBondContact O-N 3.2Å
442E36.2Very low35.8Very low189 Ų189135.5 Ų135.588%0.88374%0.74SS**  trans-74.1102.5-179.4-132.1-180174.400109.8I440I440-E442 PolarHBondContact O-N 3.22Å
443E43.9Very low35.5Very low152 Ų152137.4 Ų137.471%0.7175%0.745SS**  trans-124.8115.7155.6-77.7-166.616200109.4F441 G445F441-E443 PolarHBondContact O-N 3.2Å; E443-G445 PolarHBondContact O-N 3.45Å
444A36.6Very low35.2Very low93 Ų93136.5 Ų136.577%0.76975%0.747SS**  trans-72106177.100000109.5Q446A444-Q446 PolarHBondContact O-N 3.2Å; A444-Q446 VanDerWaalsContact O-N 3.14Å
445G37.5Very low35.2Very low56 Ų56135.2 Ų135.258%0.57774%0.741SS**  trans-58.2116163.900000109.2E443 V447E443-G445 PolarHBondContact O-N 3.45Å; G445-V447 PolarHBondContact O-N 3.1Å
446Q36.7Very low35Very low178 Ų178140.6 Ų140.683%0.83276%0.763SS**  trans-79.7114.8178.4-66.5-179.26.500109.2A444A444-Q446 PolarHBondContact O-N 3.2Å; A444-Q446 VanDerWaalsContact O-N 3.14Å
447V38.6Very low35Very low116 Ų116140.8 Ų140.870%0.70376%0.762SS**  trans-75142170.8-144.60000109.3G445 R449G445-V447 PolarHBondContact O-N 3.1Å; V447-R449 PolarHBondContact O-N 3.35Å
448A35.4Very low34.9Very low56 Ų56140.3 Ų140.346%0.46377%0.77SS.*  trans-49.4128.5179.800000112.4R450A448-R450 VanDerWaalsContact C-N 3.31Å; A448-R450 PolarHBondContact O-N 3.48Å
449R40.3Very low34.8Very low233 Ų233144.6 Ų144.688%0.87977%0.774SS**SBendtrans-78.372.1-178.5-68.8-176.9178.4-177.70.4111.4V447V447-R449 PolarHBondContact O-N 3.35Å
450R36Very low34.8Very low229 Ų229143.5 Ų143.586%0.86478%0.777SS**  trans167.5121.3149.4-96.1159.4-170.8-1703.6110.8A448A448-R450 VanDerWaalsContact C-N 3.31Å; A448-R450 PolarHBondContact O-N 3.48Å
451P32.3Very low34.5Very low138 Ų138141.7 Ų141.790%0.89678%0.783SS**  trans-86.6117.2161.831.8-24.2000108.3
452G32.6Very low34.2Very low70 Ų70137.5 Ų137.572%0.72278%0.783SS**  trans177.673.6177.400000114.6
453H29.8Very low33.8Very low166 Ų166136.1 Ų136.177%0.76978%0.776SS**  168.5114.7120.3-130.5-88.8000108.1
454P31.1Very low33.2Very low120 Ų120134.5 Ų134.578%0.77978%0.779SS**  trans-93.1100.5166.531.3-20.1000107.6
455E32.6Very low32.9Very low168 Ų168134.1 Ų134.179%0.78577%0.771SS**  trans165.4103.9161.1-98.4164.1-164.200107.1
456E31.4Very low32.5Very low195 Ų195138.3 Ų138.391%0.91178%0.78SS**  trans16867.8149.6-93.4176.1-158.700110
457T31.7Very low32.3Very low145 Ų145136.4 Ų136.489%0.8978%0.775SS**  trans-13483.7157.250.50000109.5
458G30.5Very low31.9Very low69 Ų69139 Ų13971%0.71178%0.779SS**  trans-71.7131.5161.200000110.1
459I30.2Very low31.9Very low159 Ų159145 Ų14582%0.81580%0.797SS**  161.6101.6125.3-75.7153.2000109.1
460D33.3Very low31.6Very low156 Ų156139.3 Ų139.383%0.83479%0.788SS**  trans44.4109.6138.4-54.8-26.6000121.6
461A28.4Very low32.4Very low100 Ų100135.1 Ų135.183%0.82678%0.778SS**  trans-70.6143.8169.900000113.7
462A33.3Very low33.4Very low99 Ų99134.7 Ų134.782%0.81877%0.773SS**  trans-132.6109.6151.400000108.2
463E28.5Very low35.4Very low161 Ų161132.5 Ų132.575%0.75275%0.745SS**  trans-54.3151.3171.5-76.3-78.7142.400112.2
464P30.9Very low37.9Very low117 Ų117129.5 Ų129.576%0.7674%0.743SS**  -145.5121.9103.631.1-12.2000114.8
465S29.3Very low40.7Very low86 Ų86128.6 Ų128.660%0.60172%0.724SS**  29.8131.3120-45.20000120.2
466D29.7Very low43.3Very low144 Ų144122.3 Ų122.377%0.7770%0.697SS**  trans72.891.2152.3-58.7-29.6000119.8
467L31.8Very low46.1Very low138 Ų138115.7 Ų115.772%0.72367%0.671SS**  trans-136.995.5149.3-80.9176.2000111.7
468Q30.7Very low48.5Very low170 Ų170112 Ų11279%0.79465%0.646SS**  trans-69.1140.7161.4-72.3164.7-10.600110.2
469H35.2Very low51.2Low182 Ų182116.3 Ų116.384%0.84365%0.648SS**  trans49.888.8164.7-71.490.8000117.7H471H469-H471 PolarHBondContact O-N 2.83Å; H469-H471 VanDerWaalsContact O-N 3.08Å
470V35Very low53.8Low114 Ų114115.8 Ų115.869%0.69164%0.642SS**  trans-72.699164.2-177.30000109.2V472V470-V472 PolarHBondContact O-N 2.94Å
471H51.5Low56.4Low140 Ų140109 Ų10965%0.64861%0.607SS**  trans-74.7105.5171.7-177.7-79.6000109.6H469 V473 L521H469-H471 PolarHBondContact O-N 2.83Å; H469-H471 VanDerWaalsContact O-N 3.08Å; H471-V473 PolarHBondContact O-N 3.5Å; H471-L521 WeakPolarHBondContact O-CD2 3.3Å
472V53.7Low59.4Low129 Ų129109.5 Ų109.578%0.78260%0.595SS**PPolyproline II helixtrans-70.2117.3176.1-177.60000109.2V470V470-V472 PolarHBondContact O-N 2.94Å
473V74.7Confident62.4Low24 Ų24106.3 Ų106.315%0.14557%0.567CS.*PPolyproline II helixtrans-84.7117.7177.7177.50000109.4H471 C502 C503 L521H471-V473 PolarHBondContact O-N 3.5Å; V473-C502 VanDerWaalsContact CG2-O 3.23Å; V473-C502 WeakPolarHBondContact CG2-O 3.21Å; V473-C503 VanDerWaalsContact CG1-C 3.45Å; V473-L521 HydrophobicContact CG2-CD1 3.81Å; V473-L521 HydrophobicContact CG2-CD2 3.86Å
474S81.9Confident65.7Low104 Ų10498.7 Ų98.773%0.72753%0.531SS*.PPolyproline II helixtrans-78.8124.9172.5-175.60000110.7G504S474-G504 WeakPolarHBondContact O-CA 3.47Å
475W90.9Very high68.8Low100 Ų10095.3 Ų95.338%0.37951%0.51SS..PPolyproline II helixtrans-91.6122.9-179.3-76.356.3000110.3P477 H499 R501W475-P477 WeakPolarHBondContact O-CD 3.38Å; W475-H499 HydrophobicContact CD2-CB 4.41Å; W475-H499 HydrophobicContact CE3-CB 3.54Å; W475-H499 AromaticContact CE3-CD2 3.33Å; W475-H499 AromaticContact CE3-CG 3.32Å; W475-H499 AromaticContact CE3-NE2 3.98Å; W475-H499 HydrophobicContact CH2-CB 3.88Å; W475-H499 HydrophobicContact CZ3-CB 3.23Å; W475-H499 AromaticContact CZ3-CD2 3.93Å; W475-H499 AromaticContact CZ3-CG 3.4Å; W475-H499 AromaticContact CZ3-ND1 3.93Å; W475-R501 HydrophobicContact CH2-CG 4.06Å; W475-R501 HydrophobicContact CZ2-CG 3.98Å
476V87.6Confident71.9Confident36 Ų3693.9 Ų93.922%0.21850%0.496CS..PPolyproline II helixtrans-69127.3176.4-177.80000109E480 C481 H499 G504 I506V476-E480 HydrophobicContact CG1-CB 4.07Å; V476-C481 HydrophobicContact CG1-CB 4.46Å; V476-H499 PolarHBondContact O-NE2 3.25Å; V476-G504 PolarHBondContact N-O 3.08Å; V476-G504 VanDerWaalsContact N-O 3.13Å; V476-I506 HydrophobicContact CB-CD1 4.22Å; V476-I506 HydrophobicContact CB-CG1 4.43Å; V476-I506 HydrophobicContact CG1-CD1 4.17Å; V476-I506 WeakPolarHBondContact O-CD1 3.2Å
477P88.5Confident75.1Confident57 Ų5790.1 Ų90.137%0.3748%0.48SS..PPolyproline II helixtrans-59.2148.7172.5-24.134.5000112.4W475 E479 E480 I506W475-P477 WeakPolarHBondContact O-CD 3.38Å; P477-E479 WeakPolarHBondContact CB-OE2 3.26Å; P477-E479 PolarHBondContact O-N 3.25Å; P477-E480 HydrophobicContact CB-CG 4.33Å; P477-E480 HydrophobicContact CG-CG 4.46Å; P477-E480 PolarHBondContact O-N 3.37Å; P477-I506 WeakPolarHBondContact O-CD1 3.32Å
478D83.5Confident78.2Confident67 Ų6789.3 Ų89.336%0.35847%0.473SS..G310 helixtrans-63-28.9-176.6-90.9-7.1000112.7E480 R497 H499D478-E480 VanDerWaalsContact C-N 3.32Å; D478-R497 PolarHBondContact O-NE 2.9Å; D478-R497 VanDerWaalsContact O-NE 3.08Å; D478-H499 IonicContact OD1-CE1 2.69Å; D478-H499 PolarHBondContact OD1-CE1 3.05Å; D478-H499 IonicContact OD1-NE2 3.11Å
479E86.9Confident81.2Confident159 Ų15983.2 Ų83.274%0.74345%0.447SS*.G310 helixtrans-71.7-25.2-178.9-60.273.9-159.700112.8P477 C481P477-E479 WeakPolarHBondContact CB-OE2 3.26Å; P477-E479 PolarHBondContact O-N 3.25Å; E479-C481 VanDerWaalsContact C-N 3.33Å
480E84.5Confident84.1Confident149 Ų14983.7 Ų83.770%0.69644%0.441SS*.G310 helixtrans-87.3-4.3-177.4-65.4-177.1-17100112.8V476 P477 D478V476-E480 HydrophobicContact CG1-CB 4.07Å; P477-E480 HydrophobicContact CB-CG 4.33Å; P477-E480 HydrophobicContact CG-CG 4.46Å; P477-E480 PolarHBondContact O-N 3.37Å; D478-E480 VanDerWaalsContact C-N 3.32Å
481C87.2Confident86.8Confident14 Ų1479.3 Ų79.310%0.09541%0.413CS..  trans-129.3102.4-174.7-161.80000113V476 E479 S483 F491 R497 I506V476-C481 HydrophobicContact CG1-CB 4.46Å; E479-C481 VanDerWaalsContact C-N 3.33Å; C481-S483 PolarHBondContact SG-O 3.31Å; C481-F491 WeakPolarHBondContact O-CD2 3.49Å; C481-R497 PolarHBondContact O-NE 2.82Å; C481-R497 PolarHBondContact O-NH2 2.95Å; C481-I506 HydrophobicContact CB-CB 4.05Å; C481-I506 HydrophobicContact CB-CD1 3.58Å; C481-I506 HydrophobicContact CB-CG1 4.36Å; C481-I506 HydrophobicContact CB-CG2 4.41Å
482D93.1Very high88.4Confident109 Ų10975.7 Ų75.758%0.58340%0.403SS*.SBendtrans-90.5-10.7179.6-75.5-19.6000114.6R490 F491 R497D482-R490 WeakPolarHBondContact O-CA 3.24Å; D482-F491 VanDerWaalsContact C-CD2 3.49Å; D482-F491 PolarHBondContact O-N 3.3Å; D482-R497 IonicContact OD1-NH2 3.86Å
483S95.4Very high89.6Confident33 Ų3379.5 Ų79.523%0.23141%0.41CS..BIsolated β-bridgetrans-146.9148.3-177.748.50000111.8C481 S485 V489 F491C481-S483 PolarHBondContact SG-O 3.31Å; S483-S485 PolarHBondContact O-N 3.07Å; S483-V489 CarbonylContact C-O 3.58Å; S483-V489 VanDerWaalsContact CA-O 3.31Å; S483-V489 WeakPolarHBondContact CA-O 3.3Å; S483-F491 WeakPolarHBondContact O-CE2 3.35Å
484C97.1Very high89.8Confident0 Ų085 Ų850%044%0.443CS..  trans-51.9125177.1179.10000111.6L486 Q488 V489 F491 C508 C511C484-L486 PolarHBondContact O-N 3.18Å; C484-Q488 WeakPolarHBondContact O-CA 3.47Å; C484-Q488 PolarHBondContact O-N 3.2Å; C484-V489 HydrophobicContact CB-CG1 3.9Å; C484-V489 PolarHBondContact N-O 2.9Å; C484-F491 HydrophobicContact CB-CE1 4.47Å; C484-F491 HydrophobicContact CB-CZ 4.13Å; C484-C508 HydrophobicContact CB-CB 4.16Å; C484-C508 PolarHBondContact SG-N 3Å; C484-C511 VanDerWaalsContact SG-SG 3.67Å
485S96.4Very high90.2Very high46 Ų4685 Ų8532%0.32243%0.427SS..THydrogen-bonded Turntrans-61.3-18.3-179.2-56.40000114.1S483 Q488 I506S483-S485 PolarHBondContact O-N 3.07Å; S485-Q488 PolarHBondContact O-NE2 2.77Å; S485-I506 WeakPolarHBondContact CB-O 3.39Å; S485-I506 PolarHBondContact N-O 3.12Å; S485-I506 PolarHBondContact OG-O 3.23Å
486L95.5Very high90.1Very high57 Ų5789.1 Ų89.130%0.29844%0.443SS..THydrogen-bonded Turntrans-94.6-63.5176.6-172.760.4000112.7C484 F507 C511 D531 Q532C484-L486 PolarHBondContact O-N 3.18Å; L486-F507 HydrophobicContact CB-CD1 3.75Å; L486-F507 HydrophobicContact CB-CE1 3.82Å; L486-C511 HydrophobicContact CB-CB 4.17Å; L486-C511 HydrophobicContact CD2-CB 3.88Å; L486-D531 HydrophobicContact CD2-CB 4.22Å; L486-Q532 HydrophobicContact CD1-CG 4Å
487C96.7Very high90.4Very high65 Ų6591.6 Ų91.644%0.43945%0.448SS..THydrogen-bonded Turntrans-94.82.2-172.2690000114.3V489C487-V489 PolarHBondContact O-N 2.72Å; C487-V489 WeakPolarHBondContact SG-CG1 3.48Å
488Q97Very high90.8Very high121 Ų12191.3 Ų91.357%0.56544%0.442SS*.  trans58.513.8177.6-56.6-59.3-35.100114.8C484 S485 R490C484-Q488 WeakPolarHBondContact O-CA 3.47Å; C484-Q488 PolarHBondContact O-N 3.2Å; S485-Q488 PolarHBondContact O-NE2 2.77Å; Q488-R490 PolarHBondContact O-N 3.31Å
489V93.8Very high91.4Very high41 Ų4189.6 Ų89.625%0.24843%0.431CS..PPolyproline II helixtrans-72.8129.2177.578.40000109.6S483 C484 C487 R495 C508S483-V489 CarbonylContact C-O 3.58Å; S483-V489 VanDerWaalsContact CA-O 3.31Å; S483-V489 WeakPolarHBondContact CA-O 3.3Å; C484-V489 HydrophobicContact CB-CG1 3.9Å; C484-V489 PolarHBondContact N-O 2.9Å; C487-V489 PolarHBondContact O-N 2.72Å; C487-V489 WeakPolarHBondContact SG-CG1 3.48Å; V489-R495 VanDerWaalsContact CG1-CD 3.43Å; V489-R495 VanDerWaalsContact CG2-NH1 3.31Å; V489-C508 HydrophobicContact CG1-CB 4.12Å
490R94.4Very high91.9Very high192 Ų19282 Ų8273%0.72540%0.396SS*.BIsolated β-bridgetrans-61.2138.6178.7-80.2-170.2163.194.42.4112.4D482 Q488 R495D482-R490 WeakPolarHBondContact O-CA 3.24Å; Q488-R490 PolarHBondContact O-N 3.31Å; R490-R495 WeakPolarHBondContact O-CD 3.48Å; R490-R495 PolarHBondContact O-NH1 2.76Å
491F92.7Very high92.4Very high23 Ų2378.2 Ų78.210%0.10138%0.375CS..PPolyproline II helixtrans-70153.5170.7-64.6-63.4000110.7C481 D482 S483 C484 R495 R497 I506 C508C481-F491 WeakPolarHBondContact O-CD2 3.49Å; D482-F491 VanDerWaalsContact C-CD2 3.49Å; D482-F491 PolarHBondContact O-N 3.3Å; S483-F491 WeakPolarHBondContact O-CE2 3.35Å; C484-F491 HydrophobicContact CB-CE1 4.47Å; C484-F491 HydrophobicContact CB-CZ 4.13Å; F491-R495 HydrophobicContact CD1-CG 4.4Å; F491-R495 WeakPolarHBondContact CD1-O 3.46Å; F491-R497 HydrophobicContact CB-CG 4.29Å; F491-R497 HydrophobicContact CD1-CG 3.84Å; F491-R497 HydrophobicContact CD2-CG 3.66Å; F491-R497 HydrophobicContact CE1-CG 4.05Å; F491-R497 HydrophobicContact CE2-CG 3.87Å; F491-R497 HydrophobicContact CG-CG 3.65Å; F491-R497 HydrophobicContact CZ-CG 4.08Å; F491-I506 HydrophobicContact CE1-CG2 4.49Å; F491-I506 HydrophobicContact CE2-CG2 3.7Å; F491-I506 HydrophobicContact CZ-CG2 3.58Å; F491-C508 HydrophobicContact CE1-CB 4.13Å
492S85.6Confident92.7Very high63 Ų6379 Ų7944%0.44138%0.38SS..  trans-151.9173.2177.474.40000109.1V494 R495S492-V494 PolarHBondContact O-N 2.84Å; S492-V494 PolarHBondContact OG-N 3.13Å; S492-R495 PolarHBondContact N-O 3.11Å; S492-R495 VanDerWaalsContact N-O 3.08Å; S492-R495 CarbonylContact O-C 3.58Å; S492-R495 PolarHBondContact O-N 3.29Å; S492-R495 PolarHBondContact OG-N 2.88Å
493F77.9Confident92.8Very high209 Ų20975.7 Ų75.792%0.91737%0.365SS*.SBendtrans-51.1-32.5175.1-74.2-82000113.9
494V79.2Confident92.7Very high139 Ų13974.1 Ų74.184%0.84235%0.354SS*.SBendtrans-91.6-29.9178.9-170.50000111.8S492S492-V494 PolarHBondContact O-N 2.84Å; S492-V494 PolarHBondContact OG-N 3.13Å
495R89.2Confident92.6Very high104 Ų10477.2 Ų77.239%0.39237%0.371SS..SBendtrans-101.588.9178.7-169.9-178.1-62.2118.8-3.2109.5V489 R490 F491 S492 C508V489-R495 VanDerWaalsContact CG1-CD 3.43Å; V489-R495 VanDerWaalsContact CG2-NH1 3.31Å; R490-R495 WeakPolarHBondContact O-CD 3.48Å; R490-R495 PolarHBondContact O-NH1 2.76Å; F491-R495 HydrophobicContact CD1-CG 4.4Å; F491-R495 WeakPolarHBondContact CD1-O 3.46Å; S492-R495 PolarHBondContact N-O 3.11Å; S492-R495 VanDerWaalsContact N-O 3.08Å; S492-R495 CarbonylContact O-C 3.58Å; S492-R495 PolarHBondContact O-N 3.29Å; S492-R495 PolarHBondContact OG-N 2.88Å; R495-C508 HydrophobicContact CG-CB 4.06Å
496R89.8Confident92.7Very high188 Ų18875 Ų7571%0.70936%0.356SS*.  trans-73.2157.2-177.5-62.6-172.8177.6166.8-2113H498R496-H498 PolarHBondContact O-CD2 2.99Å
497R93.7Very high92.8Very high88 Ų8872.6 Ų72.633%0.33234%0.343SS..  trans-79.8143.4174.4-68.4-177.7-178.396.1-4.4110.7D478 C481 D482 F491 I506D478-R497 PolarHBondContact O-NE 2.9Å; D478-R497 VanDerWaalsContact O-NE 3.08Å; C481-R497 PolarHBondContact O-NE 2.82Å; C481-R497 PolarHBondContact O-NH2 2.95Å; D482-R497 IonicContact OD1-NH2 3.86Å; F491-R497 HydrophobicContact CB-CG 4.29Å; F491-R497 HydrophobicContact CD1-CG 3.84Å; F491-R497 HydrophobicContact CD2-CG 3.66Å; F491-R497 HydrophobicContact CE1-CG 4.05Å; F491-R497 HydrophobicContact CE2-CG 3.87Å; F491-R497 HydrophobicContact CG-CG 3.65Å; F491-R497 HydrophobicContact CZ-CG 4.08Å; R497-I506 HydrophobicContact CB-CG2 3.59Å; R497-I506 HydrophobicContact CG-CG2 3.75Å
498H96Very high92.8Very high51 Ų5169.7 Ų69.724%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-143.9121.1176.8-56.1-76.6000111.1R496 F507 G509R496-H498 PolarHBondContact O-CD2 2.99Å; H498-F507 PolarHBondContact N-O 3.43Å; H498-F507 PolarHBondContact O-N 3Å; H498-G509 PolarHBondContact CD2-N 2.96Å
499H96.5Very high92.7Very high30 Ų3065.4 Ų65.414%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-73.1141.1173.9-6276.2000113.2W475 V476 D478 R501 G504 N505 I506W475-H499 HydrophobicContact CD2-CB 4.41Å; W475-H499 HydrophobicContact CE3-CB 3.54Å; W475-H499 AromaticContact CE3-CD2 3.33Å; W475-H499 AromaticContact CE3-CG 3.32Å; W475-H499 AromaticContact CE3-NE2 3.98Å; W475-H499 HydrophobicContact CH2-CB 3.88Å; W475-H499 HydrophobicContact CZ3-CB 3.23Å; W475-H499 AromaticContact CZ3-CD2 3.93Å; W475-H499 AromaticContact CZ3-CG 3.4Å; W475-H499 AromaticContact CZ3-ND1 3.93Å; V476-H499 PolarHBondContact O-NE2 3.25Å; D478-H499 IonicContact OD1-CE1 2.69Å; D478-H499 PolarHBondContact OD1-CE1 3.05Å; D478-H499 IonicContact OD1-NE2 3.11Å; H499-R501 PolarHBondContact O-NH1 2.85Å; H499-G504 PolarHBondContact CD2-O 2.84Å; H499-N505 CarbonylContact C-O 3.58Å; H499-N505 VanDerWaalsContact CA-O 3.31Å; H499-N505 WeakPolarHBondContact CA-O 3.19Å; H499-I506 WeakPolarHBondContact NE2-CG1 3.44Å
500C97Very high92.8Very high0 Ų074 Ų740%034%0.34CS..  trans-81125.4162.81770000109.3C502 C503 G504 N505 F507 C530 C533C500-C502 PolarHBondContact O-N 2.73Å; C500-C502 PolarHBondContact SG-N 3.44Å; C500-C503 VanDerWaalsContact CB-SG 3.51Å; C500-G504 WeakPolarHBondContact O-CA 3.38Å; C500-G504 PolarHBondContact O-N 3.34Å; C500-N505 PolarHBondContact N-O 3.25Å; C500-F507 HydrophobicContact CB-CD2 3.97Å; C500-F507 HydrophobicContact CB-CE2 3.54Å; C500-C530 HydrophobicContact CB-CB 4.13Å; C500-C530 PolarHBondContact SG-N 3.44Å; C500-C533 VanDerWaalsContact SG-SG 3.61Å
501R95.1Very high93Very high70 Ų7065.3 Ų65.326%0.26431%0.308SS..THydrogen-bonded Turntrans-73-13.8-179.6-8167.4177.4159.17.5113.5W475 H499 L518 L521 Y523 V527 R528W475-R501 HydrophobicContact CH2-CG 4.06Å; W475-R501 HydrophobicContact CZ2-CG 3.98Å; H499-R501 PolarHBondContact O-NH1 2.85Å; R501-L518 HydrophobicContact CB-CD1 3.82Å; R501-L521 WeakPolarHBondContact O-CD1 3.5Å; R501-Y523 HydrophobicContact CB-CD2 4.47Å; R501-Y523 HydrophobicContact CB-CE2 4.11Å; R501-Y523 HydrophobicContact CG-CE2 4.32Å; R501-V527 HydrophobicContact CB-CB 4.03Å; R501-V527 HydrophobicContact CB-CG2 3.64Å; R501-V527 HydrophobicContact CG-CB 3.92Å; R501-V527 HydrophobicContact CG-CG1 4.48Å; R501-V527 HydrophobicContact CG-CG2 4.07Å; R501-R528 VanDerWaalsContact CD-O 3.31Å; R501-R528 WeakPolarHBondContact CD-O 3.37Å; R501-R528 PolarHBondContact N-O 3.41Å
502C93.9Very high93.1Very high29 Ų2964.2 Ų64.220%0.19630%0.304CS..THydrogen-bonded Turntrans-87.9-40.3177.3-176.90000112.9V473 C500 L518 V529 C533 L537V473-C502 VanDerWaalsContact CG2-O 3.23Å; V473-C502 WeakPolarHBondContact CG2-O 3.21Å; C500-C502 PolarHBondContact O-N 2.73Å; C500-C502 PolarHBondContact SG-N 3.44Å; C502-L518 HydrophobicContact CB-CD1 3.96Å; C502-L518 HydrophobicContact CB-CD2 4.3Å; C502-V529 HydrophobicContact CB-CG1 3.99Å; C502-C533 HydrophobicContact CB-CB 3.85Å; C502-L537 HydrophobicContact CB-CD1 4.46Å
503C94.8Very high93.6Very high41 Ų4165.4 Ų65.428%0.27731%0.308SS..THydrogen-bonded Turntrans-118.4-5.5-174.670.40000115.3V473 C500 N505V473-C503 VanDerWaalsContact CG1-C 3.45Å; C500-C503 VanDerWaalsContact CB-SG 3.51Å; C503-N505 PolarHBondContact O-N 3.35Å; C503-N505 VanDerWaalsContact O-N 3.13Å
504G94.2Very high94.5Very high0 Ų057.5 Ų57.50%028%0.275CS..  trans77.2-9.3174.800000116S474 V476 H499 C500S474-G504 WeakPolarHBondContact O-CA 3.47Å; V476-G504 PolarHBondContact N-O 3.08Å; V476-G504 VanDerWaalsContact N-O 3.13Å; H499-G504 PolarHBondContact CD2-O 2.84Å; C500-G504 WeakPolarHBondContact O-CA 3.38Å; C500-G504 PolarHBondContact O-N 3.34Å
505N96Very high95.3Very high65 Ų6556 Ų5635%0.34826%0.258SS..  trans-75.7165.1178.4-69.4-52.2000113.6H499 C500 C503 F507H499-N505 CarbonylContact C-O 3.58Å; H499-N505 VanDerWaalsContact CA-O 3.31Å; H499-N505 WeakPolarHBondContact CA-O 3.19Å; C500-N505 PolarHBondContact N-O 3.25Å; C503-N505 PolarHBondContact O-N 3.35Å; C503-N505 VanDerWaalsContact O-N 3.13Å; N505-F507 HydrophobicContact CB-CE2 3.62Å; N505-F507 HydrophobicContact CB-CZ 3.79Å; N505-F507 WeakPolarHBondContact O-CD2 3.43Å; N505-F507 VanDerWaalsContact O-CE2 3.29Å; N505-F507 WeakPolarHBondContact O-CE2 3.35Å
506I96.6Very high95.5Very high0 Ų052 Ų520%025%0.245CC..EExtended strand (participates in β ladder)trans-106.2132.1-174.5-62.9167.4000112.4V476 P477 C481 S485 F491 R497 H499V476-I506 HydrophobicContact CB-CD1 4.22Å; V476-I506 HydrophobicContact CB-CG1 4.43Å; V476-I506 HydrophobicContact CG1-CD1 4.17Å; V476-I506 WeakPolarHBondContact O-CD1 3.2Å; P477-I506 WeakPolarHBondContact O-CD1 3.32Å; C481-I506 HydrophobicContact CB-CB 4.05Å; C481-I506 HydrophobicContact CB-CD1 3.58Å; C481-I506 HydrophobicContact CB-CG1 4.36Å; C481-I506 HydrophobicContact CB-CG2 4.41Å; S485-I506 WeakPolarHBondContact CB-O 3.39Å; S485-I506 PolarHBondContact N-O 3.12Å; S485-I506 PolarHBondContact OG-O 3.23Å; F491-I506 HydrophobicContact CE1-CG2 4.49Å; F491-I506 HydrophobicContact CE2-CG2 3.7Å; F491-I506 HydrophobicContact CZ-CG2 3.58Å; R497-I506 HydrophobicContact CB-CG2 3.59Å; R497-I506 HydrophobicContact CG-CG2 3.75Å; H499-I506 WeakPolarHBondContact NE2-CG1 3.44Å
507F97.7Very high95.4Very high5 Ų546.2 Ų46.22%0.02223%0.232CC..EExtended strand (participates in β ladder)trans-134.3163.9-175.1-58.2-89.4000112.4L486 H498 C500 N505 C511 T512 C530L486-F507 HydrophobicContact CB-CD1 3.75Å; L486-F507 HydrophobicContact CB-CE1 3.82Å; H498-F507 PolarHBondContact N-O 3.43Å; H498-F507 PolarHBondContact O-N 3Å; C500-F507 HydrophobicContact CB-CD2 3.97Å; C500-F507 HydrophobicContact CB-CE2 3.54Å; N505-F507 HydrophobicContact CB-CE2 3.62Å; N505-F507 HydrophobicContact CB-CZ 3.79Å; N505-F507 WeakPolarHBondContact O-CD2 3.43Å; N505-F507 VanDerWaalsContact O-CE2 3.29Å; N505-F507 WeakPolarHBondContact O-CE2 3.35Å; F507-C511 HydrophobicContact CB-CB 4.15Å; F507-C511 HydrophobicContact CD1-CB 4.25Å; F507-T512 HydrophobicContact CB-CG2 3.49Å; F507-T512 VanDerWaalsContact CB-CG2 3.49Å; F507-T512 HydrophobicContact CD2-CG2 3.96Å; F507-T512 HydrophobicContact CG-CG2 3.89Å; F507-C530 HydrophobicContact CD1-CB 3.94Å; F507-C530 HydrophobicContact CD2-CB 3.78Å; F507-C530 HydrophobicContact CE1-CB 3.71Å; F507-C530 HydrophobicContact CE2-CB 3.55Å; F507-C530 HydrophobicContact CG-CB 3.98Å; F507-C530 HydrophobicContact CZ-CB 3.51Å
508C97.3Very high95.2Very high4 Ų442.2 Ų42.23%0.02722%0.217CC..  trans-80162166.980.20000111.2C484 V489 F491 R495 R510 C511 T512C484-C508 HydrophobicContact CB-CB 4.16Å; C484-C508 PolarHBondContact SG-N 3Å; V489-C508 HydrophobicContact CG1-CB 4.12Å; F491-C508 HydrophobicContact CE1-CB 4.13Å; R495-C508 HydrophobicContact CG-CB 4.06Å; C508-R510 PolarHBondContact O-N 3.49Å; C508-R510 VanDerWaalsContact O-N 3.1Å; C508-C511 PolarHBondContact O-N 3.35Å; C508-C511 VanDerWaalsContact SG-SG 3.69Å; C508-T512 PolarHBondContact O-N 3.43Å; C508-T512 PolarHBondContact O-OG1 2.9Å; C508-T512 VanDerWaalsContact O-OG1 3.11Å
509G94.7Very high94.5Very high32 Ų3244 Ų4433%0.3323%0.233SC..G310 helixtrans-60.1-24.6-178.500000114.3H498 C511H498-G509 PolarHBondContact CD2-N 2.96Å; G509-C511 VanDerWaalsContact C-N 3.34Å
510R96.6Very high93.6Very high221 Ų22145.9 Ų45.983%0.83425%0.249SC*.G310 helixtrans-73.2-24175.5-65.7-175.1-179.8-174.4-1.4113.6C508C508-R510 PolarHBondContact O-N 3.49Å; C508-R510 VanDerWaalsContact O-N 3.1Å
511C97.7Very high92.9Very high10 Ų1047.9 Ų47.97%0.06826%0.26CS..G310 helixtrans-99.66.7-178.3-64.50000112.9C484 L486 F507 C508 G509 C530 D531C484-C511 VanDerWaalsContact SG-SG 3.67Å; L486-C511 HydrophobicContact CB-CB 4.17Å; L486-C511 HydrophobicContact CD2-CB 3.88Å; F507-C511 HydrophobicContact CB-CB 4.15Å; F507-C511 HydrophobicContact CD1-CB 4.25Å; C508-C511 PolarHBondContact O-N 3.35Å; C508-C511 VanDerWaalsContact SG-SG 3.69Å; G509-C511 VanDerWaalsContact C-N 3.34Å; C511-C530 VanDerWaalsContact O-CA 3.24Å; C511-C530 WeakPolarHBondContact O-CA 3.37Å; C511-D531 VanDerWaalsContact CA-OD2 3.3Å; C511-D531 WeakPolarHBondContact CA-OD2 3.31Å; C511-D531 PolarHBondContact O-N 3.44Å; C511-D531 VanDerWaalsContact O-N 3.13Å
512T96Very high92.2Very high0 Ų047.8 Ų47.80%028%0.281CS..  trans-139.550.5-178.649.60000110.1F507 C508 N514 R528 V529 C530F507-T512 HydrophobicContact CB-CG2 3.49Å; F507-T512 VanDerWaalsContact CB-CG2 3.49Å; F507-T512 HydrophobicContact CD2-CG2 3.96Å; F507-T512 HydrophobicContact CG-CG2 3.89Å; C508-T512 PolarHBondContact O-N 3.43Å; C508-T512 PolarHBondContact O-OG1 2.9Å; C508-T512 VanDerWaalsContact O-OG1 3.11Å; T512-N514 VanDerWaalsContact C-N 3.32Å; T512-R528 HydrophobicContact CG2-CG 4.23Å; T512-R528 PolarHBondContact O-NH1 3.3Å; T512-R528 PolarHBondContact OG1-NH1 3.3Å; T512-V529 VanDerWaalsContact CA-O 3.3Å; T512-V529 WeakPolarHBondContact CA-O 3.39Å; T512-C530 HydrophobicContact CG2-CB 4.16Å
513T95.5Very high91.7Very high88 Ų8850.1 Ų50.154%0.5429%0.286SS..  trans-83.4-14.1-17756.60000112.8
514N96.4Very high91.1Very high42 Ų4252.4 Ų52.423%0.22531%0.307CS..EExtended strand (participates in β ladder)trans-99.4147.9-173.9-62.5-62.4000113.1T512 V529 D531 F534T512-N514 VanDerWaalsContact C-N 3.32Å; N514-V529 HydrophobicContact CB-CG2 4.1Å; N514-V529 PolarHBondContact O-N 2.89Å; N514-D531 PolarHBondContact ND2-OD1 3.35Å; N514-F534 HydrophobicContact CB-CB 3.84Å; N514-F534 HydrophobicContact CB-CD1 4.09Å; N514-F534 HydrophobicContact CB-CD2 3.41Å; N514-F534 VanDerWaalsContact CB-CD2 3.41Å; N514-F534 HydrophobicContact CB-CE2 3.91Å; N514-F534 HydrophobicContact CB-CG 3.49Å; N514-F534 VanDerWaalsContact CB-CG 3.49Å; N514-F534 HydrophobicContact CB-CZ 4.44Å; N514-F534 VanDerWaalsContact CG-CG 3.48Å
515F96.6Very high90.6Very high109 Ų10960.1 Ų60.148%0.47834%0.341SS..EExtended strand (participates in β ladder)trans-131.1125.8177.2-69.1-104.5000109.6P526 V527 R528F515-P526 HydrophobicContact CB-CB 3.99Å; F515-V527 VanDerWaalsContact CA-O 3.26Å; F515-V527 WeakPolarHBondContact CA-O 3.49Å; F515-R528 HydrophobicContact CD1-CB 4.18Å; F515-R528 HydrophobicContact CE1-CB 3.8Å; F515-R528 HydrophobicContact CZ-CB 4.19Å
516V92.4Very high90.4Very high20 Ų2060.9 Ų60.912%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-138.1144.2-178.7-670000110.1L518 V527 V529 F534 L537V516-L518 HydrophobicContact CG2-CD2 3.95Å; V516-L518 HydrophobicContact CG2-CG 4.47Å; V516-V527 PolarHBondContact N-O 3.4Å; V516-V527 WeakPolarHBondContact O-CG2 3.33Å; V516-V527 PolarHBondContact O-N 3.42Å; V516-V529 HydrophobicContact CG2-CB 4.2Å; V516-V529 HydrophobicContact CG2-CG1 3.52Å; V516-V529 HydrophobicContact CG2-CG2 3.64Å; V516-F534 HydrophobicContact CG1-CD2 3.51Å; V516-F534 HydrophobicContact CG1-CE2 3.59Å; V516-L537 HydrophobicContact CG2-CD1 3.71Å
517P89.6Confident90.3Very high66 Ų6662.1 Ų62.143%0.42936%0.357SS..EExtended strand (participates in β ladder)trans-65.8143.7170.429.1-32.6000109
518L88.1Confident90.3Very high4 Ų464.6 Ų64.62%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-12771.4175.8-55.2169.8000108.8R501 C502 V516 S520 L521 G522 Y523 V527 V529 L537R501-L518 HydrophobicContact CB-CD1 3.82Å; C502-L518 HydrophobicContact CB-CD1 3.96Å; C502-L518 HydrophobicContact CB-CD2 4.3Å; V516-L518 HydrophobicContact CG2-CD2 3.95Å; V516-L518 HydrophobicContact CG2-CG 4.47Å; L518-S520 VanDerWaalsContact C-N 3.27Å; L518-S520 PolarHBondContact O-N 3.08Å; L518-L521 HydrophobicContact CB-CB 4.1Å; L518-L521 HydrophobicContact CB-CD1 4.28Å; L518-L521 HydrophobicContact CB-CG 4.47Å; L518-L521 HydrophobicContact CD1-CD1 4.06Å; L518-L521 CarbonylContact O-C 3.58Å; L518-L521 PolarHBondContact O-N 2.68Å; L518-G522 PolarHBondContact O-N 2.9Å; L518-Y523 CarbonylContact C-O 3.58Å; L518-Y523 HydrophobicContact CB-CD2 4.05Å; L518-Y523 HydrophobicContact CD1-CD2 4.21Å; L518-Y523 PolarHBondContact N-O 3.1Å; L518-Y523 PolarHBondContact O-N 3.33Å; L518-V527 HydrophobicContact CB-CG2 4.46Å; L518-V527 HydrophobicContact CD1-CG2 3.53Å; L518-V527 HydrophobicContact CG-CG2 3.84Å; L518-V529 HydrophobicContact CD1-CG1 4.08Å; L518-V529 HydrophobicContact CD2-CG1 4.45Å; L518-L537 HydrophobicContact CD2-CD1 3.42Å; L518-L537 VanDerWaalsContact CD2-CD1 3.42Å; L518-L537 HydrophobicContact CD2-CD2 4.37Å
519P81.7Confident90.3Very high89 Ų8964.4 Ų64.458%0.57837%0.365SS*.G310 helixtrans-59.5-36-174.5-23.634.9000113.2L521 G522P519-L521 PolarHBondContact O-N 3.15Å; P519-G522 PolarHBondContact O-N 3.01Å
520S78Confident90.4Very high68 Ų6863 Ų6348%0.47635%0.35SS..G310 helixtrans-62.7-21.6175.453.70000113.8L518L518-S520 VanDerWaalsContact C-N 3.27Å; L518-S520 PolarHBondContact O-N 3.08Å
521L81.7Confident90.4Very high43 Ų4354.2 Ų54.223%0.22532%0.319CS..G310 helixtrans-105.812.2175.7-61.2178.1000112.4H471 V473 R501 L518 P519 Y523H471-L521 WeakPolarHBondContact O-CD2 3.3Å; V473-L521 HydrophobicContact CG2-CD1 3.81Å; V473-L521 HydrophobicContact CG2-CD2 3.86Å; R501-L521 WeakPolarHBondContact O-CD1 3.5Å; L518-L521 HydrophobicContact CB-CB 4.1Å; L518-L521 HydrophobicContact CB-CD1 4.28Å; L518-L521 HydrophobicContact CB-CG 4.47Å; L518-L521 HydrophobicContact CD1-CD1 4.06Å; L518-L521 CarbonylContact O-C 3.58Å; L518-L521 PolarHBondContact O-N 2.68Å; P519-L521 PolarHBondContact O-N 3.15Å; L521-Y523 HydrophobicContact CB-CD2 3.88Å; L521-Y523 HydrophobicContact CB-CE2 4.11Å; L521-Y523 WeakPolarHBondContact O-CD2 3.16Å
522G80.7Confident90.3Very high68 Ų6859.5 Ų59.570%0.70134%0.343SS*.THydrogen-bonded Turntrans82.34.5179.200000115.6L518 P519 A524L518-G522 PolarHBondContact O-N 2.9Å; P519-G522 PolarHBondContact O-N 3.01Å; G522-A524 PolarHBondContact O-N 3.25Å
523Y84.6Confident90.3Very high78 Ų7860.2 Ų60.231%0.30635%0.348SS..EExtended strand (participates in β ladder)trans-97.484.5179.7-57.5-74.3000111.9R501 L518 L521 K525 V527R501-Y523 HydrophobicContact CB-CD2 4.47Å; R501-Y523 HydrophobicContact CB-CE2 4.11Å; R501-Y523 HydrophobicContact CG-CE2 4.32Å; L518-Y523 CarbonylContact C-O 3.58Å; L518-Y523 HydrophobicContact CB-CD2 4.05Å; L518-Y523 HydrophobicContact CD1-CD2 4.21Å; L518-Y523 PolarHBondContact N-O 3.1Å; L518-Y523 PolarHBondContact O-N 3.33Å; L521-Y523 HydrophobicContact CB-CD2 3.88Å; L521-Y523 HydrophobicContact CB-CE2 4.11Å; L521-Y523 WeakPolarHBondContact O-CD2 3.16Å; Y523-K525 PolarHBondContact O-N 3.5Å; Y523-V527 HydrophobicContact CD1-CG1 3.62Å; Y523-V527 HydrophobicContact CD1-CG2 4.41Å; Y523-V527 HydrophobicContact CD2-CG2 4.12Å; Y523-V527 HydrophobicContact CE1-CG1 4.32Å; Y523-V527 HydrophobicContact CG-CB 4.47Å; Y523-V527 HydrophobicContact CG-CG1 3.86Å; Y523-V527 HydrophobicContact CG-CG2 3.86Å
524A81.2Confident90.3Very high88 Ų8859.1 Ų59.173%0.72734%0.336SS*.EExtended strand (participates in β ladder)trans-64.5-26175.500000113.6G522G522-A524 PolarHBondContact O-N 3.25Å
525K83.7Confident90.1Very high162 Ų16263.7 Ų63.770%0.70436%0.356SS*.EExtended strand (participates in β ladder)trans-95.3150.5176-67.6-178.8-179175.70110.7Y523 V527Y523-K525 PolarHBondContact O-N 3.5Å; K525-V527 PolarHBondContact O-N 2.97Å
526P91.5Very high89.8Confident82 Ų8264.9 Ų64.953%0.53236%0.361SS..EExtended strand (participates in β ladder)trans-55.6123.8175.5-25.834.2000113F515F515-P526 HydrophobicContact CB-CB 3.99Å
527V95.5Very high89.6Confident26 Ų2666.1 Ų66.116%0.15837%0.367CS..EExtended strand (participates in β ladder)trans-119.4154.2178.4-71.80000111R501 F515 V516 L518 Y523 K525 V529R501-V527 HydrophobicContact CB-CB 4.03Å; R501-V527 HydrophobicContact CB-CG2 3.64Å; R501-V527 HydrophobicContact CG-CB 3.92Å; R501-V527 HydrophobicContact CG-CG1 4.48Å; R501-V527 HydrophobicContact CG-CG2 4.07Å; F515-V527 VanDerWaalsContact CA-O 3.26Å; F515-V527 WeakPolarHBondContact CA-O 3.49Å; V516-V527 PolarHBondContact N-O 3.4Å; V516-V527 WeakPolarHBondContact O-CG2 3.33Å; V516-V527 PolarHBondContact O-N 3.42Å; L518-V527 HydrophobicContact CB-CG2 4.46Å; L518-V527 HydrophobicContact CD1-CG2 3.53Å; L518-V527 HydrophobicContact CG-CG2 3.84Å; Y523-V527 HydrophobicContact CD1-CG1 3.62Å; Y523-V527 HydrophobicContact CD1-CG2 4.41Å; Y523-V527 HydrophobicContact CD2-CG2 4.12Å; Y523-V527 HydrophobicContact CE1-CG1 4.32Å; Y523-V527 HydrophobicContact CG-CB 4.47Å; Y523-V527 HydrophobicContact CG-CG1 3.86Å; Y523-V527 HydrophobicContact CG-CG2 3.86Å; K525-V527 PolarHBondContact O-N 2.97Å; V527-V529 PolarHBondContact O-N 2.96Å
528R96.7Very high89.3Confident57 Ų5765.3 Ų65.322%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-61.7128-177.8-180-174.4-69-92.3-6.9111R501 T512 F515R501-R528 VanDerWaalsContact CD-O 3.31Å; R501-R528 WeakPolarHBondContact CD-O 3.37Å; R501-R528 PolarHBondContact N-O 3.41Å; T512-R528 HydrophobicContact CG2-CG 4.23Å; T512-R528 PolarHBondContact O-NH1 3.3Å; T512-R528 PolarHBondContact OG1-NH1 3.3Å; F515-R528 HydrophobicContact CD1-CB 4.18Å; F515-R528 HydrophobicContact CE1-CB 3.8Å; F515-R528 HydrophobicContact CZ-CB 4.19Å
529V96.7Very high88.6Confident0 Ų067.8 Ų67.80%038%0.384CS..EExtended strand (participates in β ladder)trans-125158.7172-65.40000110.6C502 T512 N514 V516 L518 V527 C533 F534C502-V529 HydrophobicContact CB-CG1 3.99Å; T512-V529 VanDerWaalsContact CA-O 3.3Å; T512-V529 WeakPolarHBondContact CA-O 3.39Å; N514-V529 HydrophobicContact CB-CG2 4.1Å; N514-V529 PolarHBondContact O-N 2.89Å; V516-V529 HydrophobicContact CG2-CB 4.2Å; V516-V529 HydrophobicContact CG2-CG1 3.52Å; V516-V529 HydrophobicContact CG2-CG2 3.64Å; L518-V529 HydrophobicContact CD1-CG1 4.08Å; L518-V529 HydrophobicContact CD2-CG1 4.45Å; V527-V529 PolarHBondContact O-N 2.96Å; V529-C533 HydrophobicContact CB-CB 4.14Å; V529-F534 HydrophobicContact CG2-CB 3.9Å; V529-F534 HydrophobicContact CG2-CD2 4.32Å
530C97.9Very high87.4Confident1 Ų168 Ų681%0.00738%0.38CS..  trans-75.8162.5170.170.20000111C500 F507 C511 T512 Q532 C533 F534C500-C530 HydrophobicContact CB-CB 4.13Å; C500-C530 PolarHBondContact SG-N 3.44Å; F507-C530 HydrophobicContact CD1-CB 3.94Å; F507-C530 HydrophobicContact CD2-CB 3.78Å; F507-C530 HydrophobicContact CE1-CB 3.71Å; F507-C530 HydrophobicContact CE2-CB 3.55Å; F507-C530 HydrophobicContact CG-CB 3.98Å; F507-C530 HydrophobicContact CZ-CB 3.51Å; C511-C530 VanDerWaalsContact O-CA 3.24Å; C511-C530 WeakPolarHBondContact O-CA 3.37Å; T512-C530 HydrophobicContact CG2-CB 4.16Å; C530-Q532 VanDerWaalsContact C-N 3.27Å; C530-Q532 PolarHBondContact O-N 3.08Å; C530-C533 PolarHBondContact O-N 3.16Å; C530-C533 PolarHBondContact SG-N 2.91Å; C530-C533 VanDerWaalsContact SG-N 3.43Å; C530-C533 PolarHBondContact SG-SG 3.41Å; C530-F534 WeakPolarHBondContact O-CB 3.45Å; C530-F534 PolarHBondContact O-N 3.34Å
531D95.9Very high86.3Confident37 Ų3770.4 Ų70.420%0.19839%0.392CS..Hα-helixtrans-59.6-36.2-177.4-57.4-25.8000112.4L486 C511 N514 F534 E535L486-D531 HydrophobicContact CD2-CB 4.22Å; C511-D531 VanDerWaalsContact CA-OD2 3.3Å; C511-D531 WeakPolarHBondContact CA-OD2 3.31Å; C511-D531 PolarHBondContact O-N 3.44Å; C511-D531 VanDerWaalsContact O-N 3.13Å; N514-D531 PolarHBondContact ND2-OD1 3.35Å; D531-F534 WeakPolarHBondContact O-CB 3.49Å; D531-F534 PolarHBondContact O-N 3.09Å; D531-E535 WeakPolarHBondContact O-CG 3.33Å; D531-E535 PolarHBondContact O-N 3.04Å
532Q95.3Very high84.4Confident121 Ų12174.2 Ų74.257%0.56542%0.417SS*.Hα-helixtrans-66.3-45.6175.6-74179.2-17.900113.1L486 C530 F534 E535 F536L486-Q532 HydrophobicContact CD1-CG 4Å; C530-Q532 VanDerWaalsContact C-N 3.27Å; C530-Q532 PolarHBondContact O-N 3.08Å; Q532-F534 VanDerWaalsContact C-N 3.27Å; Q532-F534 PolarHBondContact O-N 3.26Å; Q532-E535 PolarHBondContact O-N 3.42Å; Q532-F536 PolarHBondContact O-N 3.03Å
533C96.2Very high82Confident16 Ų1680.7 Ų80.711%0.10844%0.435CS..Hα-helixtrans-64.9-35.2175.5-71.50000111.2C500 C502 V529 C530 F536 L537C500-C533 VanDerWaalsContact SG-SG 3.61Å; C502-C533 HydrophobicContact CB-CB 3.85Å; V529-C533 HydrophobicContact CB-CB 4.14Å; C530-C533 PolarHBondContact O-N 3.16Å; C530-C533 PolarHBondContact SG-N 2.91Å; C530-C533 VanDerWaalsContact SG-N 3.43Å; C530-C533 PolarHBondContact SG-SG 3.41Å; C533-F536 PolarHBondContact O-N 3.45Å; C533-L537 WeakPolarHBondContact O-CB 3.1Å; C533-L537 WeakPolarHBondContact O-CD1 3.47Å; C533-L537 WeakPolarHBondContact O-CG 3.5Å; C533-L537 PolarHBondContact O-N 3.43Å
534F96Very high81.9Confident65 Ų6580.8 Ų80.829%0.28544%0.442SS..Hα-helixtrans-63.2-46.7175.1-178-106.8000112.1N514 V516 V529 C530 D531 Q532 F536 S538N514-F534 HydrophobicContact CB-CB 3.84Å; N514-F534 HydrophobicContact CB-CD1 4.09Å; N514-F534 HydrophobicContact CB-CD2 3.41Å; N514-F534 VanDerWaalsContact CB-CD2 3.41Å; N514-F534 HydrophobicContact CB-CE2 3.91Å; N514-F534 HydrophobicContact CB-CG 3.49Å; N514-F534 VanDerWaalsContact CB-CG 3.49Å; N514-F534 HydrophobicContact CB-CZ 4.44Å; N514-F534 VanDerWaalsContact CG-CG 3.48Å; V516-F534 HydrophobicContact CG1-CD2 3.51Å; V516-F534 HydrophobicContact CG1-CE2 3.59Å; V529-F534 HydrophobicContact CG2-CB 3.9Å; V529-F534 HydrophobicContact CG2-CD2 4.32Å; C530-F534 WeakPolarHBondContact O-CB 3.45Å; C530-F534 PolarHBondContact O-N 3.34Å; D531-F534 WeakPolarHBondContact O-CB 3.49Å; D531-F534 PolarHBondContact O-N 3.09Å; Q532-F534 VanDerWaalsContact C-N 3.27Å; Q532-F534 PolarHBondContact O-N 3.26Å; F534-F536 PolarHBondContact O-N 3.4Å; F534-S538 VanDerWaalsContact O-CB 3.23Å; F534-S538 WeakPolarHBondContact O-CB 3.39Å; F534-S538 PolarHBondContact O-N 3.2Å; F534-S538 PolarHBondContact O-OG 3.35Å
535E92.6Very high81.9Confident137 Ų13780.4 Ų80.464%0.6443%0.427SS*.Hα-helixtrans-60.3-44.3176.1-76177-175.200111.9D531 Q532 S538 A539D531-E535 WeakPolarHBondContact O-CG 3.33Å; D531-E535 PolarHBondContact O-N 3.04Å; Q532-E535 PolarHBondContact O-N 3.42Å; E535-S538 PolarHBondContact O-N 3.02Å; E535-A539 PolarHBondContact O-N 3.16Å
536F89.9Confident81.8Confident135 Ų13575.9 Ų75.959%0.59241%0.411SS*.Hα-helixtrans-61.3-51.7178-171.9-90.6000112Q532 C533 F534 S538 A539 D540Q532-F536 PolarHBondContact O-N 3.03Å; C533-F536 PolarHBondContact O-N 3.45Å; F534-F536 PolarHBondContact O-N 3.4Å; F536-S538 VanDerWaalsContact C-N 3.29Å; F536-S538 PolarHBondContact O-N 2.72Å; F536-A539 PolarHBondContact O-N 3.07Å; F536-D540 WeakPolarHBondContact CE1-OD2 3.14Å; F536-D540 PolarHBondContact O-N 3.27Å
537L88Confident81.3Confident46 Ų4675.5 Ų75.524%0.24140%0.404CS..Hα-helixtrans-67.3-29.9-179.7-66.6166.5000112.9C502 V516 L518 C533 T541C502-L537 HydrophobicContact CB-CD1 4.46Å; V516-L537 HydrophobicContact CG2-CD1 3.71Å; L518-L537 HydrophobicContact CD2-CD1 3.42Å; L518-L537 VanDerWaalsContact CD2-CD1 3.42Å; L518-L537 HydrophobicContact CD2-CD2 4.37Å; C533-L537 WeakPolarHBondContact O-CB 3.1Å; C533-L537 WeakPolarHBondContact O-CD1 3.47Å; C533-L537 WeakPolarHBondContact O-CG 3.5Å; C533-L537 PolarHBondContact O-N 3.43Å; L537-T541 PolarHBondContact O-OG1 3.35Å
538S82.6Confident80.4Confident48 Ų4878.6 Ų78.634%0.33642%0.42SS..Hα-helixtrans-73.5-30.7175.9-57.60000112F534 E535 F536F534-S538 VanDerWaalsContact O-CB 3.23Å; F534-S538 WeakPolarHBondContact O-CB 3.39Å; F534-S538 PolarHBondContact O-N 3.2Å; F534-S538 PolarHBondContact O-OG 3.35Å; E535-S538 PolarHBondContact O-N 3.02Å; F536-S538 VanDerWaalsContact C-N 3.29Å; F536-S538 PolarHBondContact O-N 2.72Å
539A73.2Confident79.3Confident56 Ų5680.1 Ų80.146%0.46343%0.433SS..Hα-helixtrans-71.3-35.7175.700000112.1E535 F536 T541 V542E535-A539 PolarHBondContact O-N 3.16Å; F536-A539 PolarHBondContact O-N 3.07Å; A539-T541 PolarHBondContact O-N 3.36Å; A539-V542 PolarHBondContact O-N 3.39Å
540D58.2Low78.1Confident93 Ų9385.8 Ų85.850%0.49746%0.464SS..THydrogen-bonded Turntrans-70.2-13.8177.2-73.1-19000113.6F536 V542F536-D540 WeakPolarHBondContact CE1-OD2 3.14Å; F536-D540 PolarHBondContact O-N 3.27Å; D540-V542 VanDerWaalsContact C-N 3.33Å
541T53.3Low76.5Confident119 Ų11992.3 Ų92.373%0.7350%0.499SS*.THydrogen-bonded Turntrans-87.1-1.7177.6-44.10000112.8L537 A539L537-T541 PolarHBondContact O-OG1 3.35Å; A539-T541 PolarHBondContact O-N 3.36Å
542V43Very low74.9Confident123 Ų12396.9 Ų96.975%0.74552%0.524SS*.  trans-113.2-0.8-174.1-174.30000113.3A539 D540A539-V542 PolarHBondContact O-N 3.39Å; D540-V542 VanDerWaalsContact C-N 3.33Å
543N30.7Very low73.1Confident204 Ų20494.7 Ų94.7100%1.09152%0.521SS*.  trans-1170170.4-69.8-36.5000110.3

Retrieved 543 of 543 residues in 503.9 ms (Link to these results)

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