A0A096M6J0_POEFO Loading...

Dynein, axonemal, heavy chain 9

AlphaFold DB , UniProt , Accession A0A096M6J0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 612 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
1M35.4Very low50.4Low245 Ų245129.3 Ų129.3100%1.20770%0.702SS**  096.50-97.3172143.300105.8E3M1-E3 PolarHBondContact O-N 3.38Å
2E30.3Very low53.4Low198 Ų198119.4 Ų119.493%0.92565%0.648SS**  trans-67.6119171.2-71.2170.2143.900107.5S4E2-S4 PolarHBondContact O-N 2.98Å
3E30.8Very low56Low193 Ų193116.7 Ų116.790%0.90263%0.633SS**  trans-67.2113162.5-78.5-179.415200107.2M1M1-E3 PolarHBondContact O-N 3.38Å
4S29.5Very low58.3Low100 Ų100110.7 Ų110.770%0.69960%0.598SS**PPolyproline II helixtrans-61.1134.9170.268.30000109.2E2 A6E2-S4 PolarHBondContact O-N 2.98Å; S4-A6 PolarHBondContact O-N 3.22Å
5P35.5Very low60.4Low121 Ų121103.3 Ų103.379%0.78656%0.558SS**PPolyproline II helixtrans-58.3127.517024.6-31.1000108.4A7P5-A7 PolarHBondContact O-N 3.04Å; P5-A7 VanDerWaalsContact O-N 3.15Å
6A40.4Very low62.3Low81 Ų8197.4 Ų97.467%0.66953%0.528SS*.PPolyproline II helixtrans-50.7122.3178.900000109.7S4 E8S4-A6 PolarHBondContact O-N 3.22Å; A6-E8 PolarHBondContact O-N 3.09Å
7A47.9Very low63.9Low91 Ų9196 Ų9675%0.75252%0.52SS*.PPolyproline II helixtrans-51.3125.4177.800000110.2P5 D9P5-A7 PolarHBondContact O-N 3.04Å; P5-A7 VanDerWaalsContact O-N 3.15Å; A7-D9 PolarHBondContact O-N 3.06Å; A7-D9 VanDerWaalsContact O-N 3.17Å
8E61Low65.3Low173 Ų17390.8 Ų90.881%0.80849%0.492SS*.PPolyproline II helixtrans-58.7117.6175.2-73.3176.515800109.4A6 K10A6-E8 PolarHBondContact O-N 3.09Å; E8-K10 PolarHBondContact O-N 3Å; E8-K10 VanDerWaalsContact O-N 3.1Å
9D76.8Confident66.6Low33 Ų3386 Ų8618%0.17647%0.466CS..  trans-74.6101.2179-173.4-12.5000109.5A7 R11 L12A7-D9 PolarHBondContact O-N 3.06Å; A7-D9 VanDerWaalsContact O-N 3.17Å; D9-R11 PolarHBondContact O-N 3.48Å; D9-R11 WeakPolarHBondContact OD1-CB 3.25Å; D9-R11 VanDerWaalsContact OD1-CG 3.28Å; D9-R11 WeakPolarHBondContact OD1-CG 3.36Å; D9-R11 IonicContact OD1-CZ 3.86Å; D9-R11 PolarHBondContact OD1-N 3.29Å; D9-R11 IonicContact OD1-NE 2.98Å; D9-R11 PolarHBondContact OD1-NE 3.1Å; D9-R11 IonicContact OD1-NH2 2.76Å; D9-R11 IonicContact OD2-CZ 2.72Å; D9-R11 IonicContact OD2-NE 3.97Å; D9-R11 PolarHBondContact OD2-NE 2.82Å; D9-R11 VanDerWaalsContact OD2-NE 3.12Å; D9-R11 IonicContact OD2-NH2 3.56Å; D9-R11 PolarHBondContact OD2-NH2 3.23Å; D9-L12 HydrophobicContact CB-CD1 4.1Å; D9-L12 HydrophobicContact CB-CG 4.18Å; D9-L12 WeakPolarHBondContact O-CB 3.35Å; D9-L12 PolarHBondContact O-N 3.07Å
10K80.6Confident67.8Low154 Ų15483.6 Ų83.667%0.6745%0.452SS*.Hα-helixtrans-53.8-19.9178.4-65.5-175.8178.2179.10114.2E8E8-K10 PolarHBondContact O-N 3Å; E8-K10 VanDerWaalsContact O-N 3.1Å
11R85.9Confident68.8Low33 Ų3386.8 Ų86.813%0.12546%0.458CS..Hα-helixtrans-70.2-36.3175.1-58.9174.4-66.2171.36.8111.2D9 D13 F14 I15 L47 D48 L90 P92 I95D9-R11 PolarHBondContact O-N 3.48Å; D9-R11 WeakPolarHBondContact OD1-CB 3.25Å; D9-R11 VanDerWaalsContact OD1-CG 3.28Å; D9-R11 WeakPolarHBondContact OD1-CG 3.36Å; D9-R11 IonicContact OD1-CZ 3.86Å; D9-R11 PolarHBondContact OD1-N 3.29Å; D9-R11 IonicContact OD1-NE 2.98Å; D9-R11 PolarHBondContact OD1-NE 3.1Å; D9-R11 IonicContact OD1-NH2 2.76Å; D9-R11 IonicContact OD2-CZ 2.72Å; D9-R11 IonicContact OD2-NE 3.97Å; D9-R11 PolarHBondContact OD2-NE 2.82Å; D9-R11 VanDerWaalsContact OD2-NE 3.12Å; D9-R11 IonicContact OD2-NH2 3.56Å; D9-R11 PolarHBondContact OD2-NH2 3.23Å; R11-D13 VanDerWaalsContact C-N 3.33Å; R11-F14 PolarHBondContact O-N 3.34Å; R11-I15 PolarHBondContact O-N 2.97Å; R11-L47 HydrophobicContact CB-CD1 3.89Å; R11-L47 HydrophobicContact CB-CD2 3.91Å; R11-D48 IonicContact CZ-OD1 3.99Å; R11-D48 IonicContact NH1-OD1 2.83Å; R11-D48 PolarHBondContact NH1-OD1 3.48Å; R11-D48 IonicContact NH2-OD1 3.46Å; R11-D48 PolarHBondContact NH2-OD1 2.88Å; R11-D48 IonicContact NH2-OD2 2.7Å; R11-L90 WeakPolarHBondContact CD-O 3.31Å; R11-L90 PolarHBondContact NH1-O 3.06Å; R11-P92 HydrophobicContact CG-CB 4.3Å; R11-P92 HydrophobicContact CG-CG 3.94Å; R11-I95 HydrophobicContact CB-CD1 4Å
12L86.8Confident71.3Confident11 Ų1176.8 Ų76.86%0.05841%0.411CS..Hα-helixtrans-68.9-33.6176.2-66.8176.8000111.3D9 F14 I15 A16 L43 L47D9-L12 HydrophobicContact CB-CD1 4.1Å; D9-L12 HydrophobicContact CB-CG 4.18Å; D9-L12 WeakPolarHBondContact O-CB 3.35Å; D9-L12 PolarHBondContact O-N 3.07Å; L12-F14 VanDerWaalsContact C-N 3.29Å; L12-F14 PolarHBondContact O-N 3.47Å; L12-I15 PolarHBondContact O-N 3.11Å; L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.24Å; L12-A16 PolarHBondContact O-N 2.99Å; L12-L43 HydrophobicContact CD2-CB 3.87Å; L12-L43 HydrophobicContact CD2-CD1 4.27Å; L12-L47 HydrophobicContact CD2-CD1 3.73Å; L12-L47 HydrophobicContact CG-CD1 4.12Å
13D87.2Confident73.9Confident84 Ų8468.3 Ų68.345%0.44937%0.372SS..Hα-helixtrans-61.3-38.9176.2-61-24.6000112.1R11 A16 D17R11-D13 VanDerWaalsContact C-N 3.33Å; D13-A16 WeakPolarHBondContact O-CB 3.49Å; D13-A16 PolarHBondContact O-N 3.25Å; D13-D17 WeakPolarHBondContact O-CB 3.5Å; D13-D17 PolarHBondContact O-N 3.34Å
14F88.2Confident76.6Confident33 Ų3368 Ų6815%0.14537%0.367CS..Hα-helixtrans-65.2-43.8176.2-178.7-99.1000111.9R11 L12 C18 I95 K96 L99 Y101R11-F14 PolarHBondContact O-N 3.34Å; L12-F14 VanDerWaalsContact C-N 3.29Å; L12-F14 PolarHBondContact O-N 3.47Å; F14-C18 PolarHBondContact O-N 3.22Å; F14-C18 PolarHBondContact O-SG 3.48Å; F14-I95 HydrophobicContact CB-CD1 4.35Å; F14-I95 HydrophobicContact CD1-CD1 3.92Å; F14-I95 HydrophobicContact CD1-CG1 3.97Å; F14-I95 HydrophobicContact CD1-CG2 4.29Å; F14-I95 HydrophobicContact CE1-CG1 4.41Å; F14-I95 HydrophobicContact CG-CD1 4.47Å; F14-I95 HydrophobicContact CG-CG2 4.27Å; F14-K96 HydrophobicContact CD2-CG 4.36Å; F14-K96 HydrophobicContact CE2-CG 3.91Å; F14-K96 HydrophobicContact CZ-CG 4.28Å; F14-L99 HydrophobicContact CD1-CD2 4.41Å; F14-L99 HydrophobicContact CE1-CD2 3.97Å; F14-Y101 HydrophobicContact CZ-CE1 4.08Å
15I89.9Confident79.3Confident0 Ų064.8 Ų64.80%034%0.343CS..Hα-helixtrans-64.8-43.8176-62.4175.2000109.7R11 L12 D17 C18 V19 W30 F46 L47 L55 F82R11-I15 PolarHBondContact O-N 2.97Å; L12-I15 PolarHBondContact O-N 3.11Å; I15-D17 PolarHBondContact O-N 3.35Å; I15-C18 PolarHBondContact O-N 3.11Å; I15-V19 HydrophobicContact CG2-CG2 4.12Å; I15-V19 WeakPolarHBondContact O-CB 3.29Å; I15-V19 VanDerWaalsContact O-CG2 3.25Å; I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 3.38Å; I15-W30 HydrophobicContact CB-CH2 4.17Å; I15-W30 HydrophobicContact CB-CZ2 4.49Å; I15-W30 HydrophobicContact CG2-CH2 3.56Å; I15-W30 HydrophobicContact CG2-CZ2 4.34Å; I15-W30 HydrophobicContact CG2-CZ3 4.24Å; I15-F46 HydrophobicContact CD1-CD1 4.36Å; I15-F46 HydrophobicContact CD1-CE1 4.39Å; I15-L47 HydrophobicContact CD1-CD2 3.98Å; I15-L47 HydrophobicContact CD1-CG 4.5Å; I15-L55 HydrophobicContact CD1-CD2 4.01Å; I15-L55 HydrophobicContact CG2-CD2 4.27Å; I15-F82 HydrophobicContact CG2-CD2 4.47Å; I15-F82 HydrophobicContact CG2-CE1 4.46Å; I15-F82 HydrophobicContact CG2-CE2 3.84Å; I15-F82 HydrophobicContact CG2-CZ 3.83Å
16A90.6Very high81.7Confident9 Ų966.3 Ų66.37%0.07433%0.334CS..Hα-helixtrans-55.1-52.8177.700000111.1L12 D13 C18 V19 L20 W30L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.24Å; L12-A16 PolarHBondContact O-N 2.99Å; D13-A16 WeakPolarHBondContact O-CB 3.49Å; D13-A16 PolarHBondContact O-N 3.25Å; A16-C18 VanDerWaalsContact C-N 3.33Å; A16-C18 PolarHBondContact O-N 2.91Å; A16-V19 PolarHBondContact O-N 2.98Å; A16-V19 VanDerWaalsContact O-N 3.15Å; A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.93Å; A16-W30 HydrophobicContact CB-CD2 3.75Å; A16-W30 HydrophobicContact CB-CG 3.91Å; A16-W30 HydrophobicContact CB-CZ2 3.81Å
17D89.7Confident84Confident73 Ų7366.2 Ų66.239%0.3933%0.326SS..Hα-helixtrans-59.6-42.7-179.9178.740.6000111.9D13 I15 R21D13-D17 WeakPolarHBondContact O-CB 3.5Å; D13-D17 PolarHBondContact O-N 3.34Å; I15-D17 PolarHBondContact O-N 3.35Å; D17-R21 VanDerWaalsContact CG-NE 3.27Å; D17-R21 VanDerWaalsContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CB 3.48Å; D17-R21 VanDerWaalsContact O-CG 3.28Å; D17-R21 WeakPolarHBondContact O-CG 3.34Å; D17-R21 PolarHBondContact O-N 3.18Å; D17-R21 PolarHBondContact O-NE 2.94Å; D17-R21 IonicContact OD1-CZ 2.74Å; D17-R21 IonicContact OD1-NE 3.01Å; D17-R21 PolarHBondContact OD1-NE 3.09Å; D17-R21 IonicContact OD1-NH2 2.61Å; D17-R21 IonicContact OD2-CZ 3.69Å; D17-R21 IonicContact OD2-NE 3.33Å; D17-R21 PolarHBondContact OD2-NE 3.36Å; D17-R21 IonicContact OD2-NH2 3.06Å; D17-R21 PolarHBondContact OD2-NH2 2.8Å
18C89.3Confident85.9Confident2 Ų264 Ų641%0.01430%0.301CS..Hα-helixtrans-63.4-43.5174.9-64.60000112.4F14 I15 A16 T22 F82F14-C18 PolarHBondContact O-N 3.22Å; F14-C18 PolarHBondContact O-SG 3.48Å; I15-C18 PolarHBondContact O-N 3.11Å; A16-C18 VanDerWaalsContact C-N 3.33Å; A16-C18 PolarHBondContact O-N 2.91Å; C18-T22 WeakPolarHBondContact O-CB 3.12Å; C18-T22 PolarHBondContact O-N 3.05Å; C18-T22 VanDerWaalsContact O-N 3.11Å; C18-T22 PolarHBondContact O-OG1 3.03Å; C18-F82 HydrophobicContact CB-CE1 3.73Å; C18-F82 HydrophobicContact CB-CZ 3.7Å
19V90.4Very high87Confident0 Ų059.3 Ų59.30%028%0.276CS..Hα-helixtrans-66.9-49.4-179.5169.80000111I15 A16 R21 T22 L23 W30 V57 L65 F82I15-V19 HydrophobicContact CG2-CG2 4.12Å; I15-V19 WeakPolarHBondContact O-CB 3.29Å; I15-V19 VanDerWaalsContact O-CG2 3.25Å; I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 3.38Å; A16-V19 PolarHBondContact O-N 2.98Å; A16-V19 VanDerWaalsContact O-N 3.15Å; V19-R21 PolarHBondContact O-N 3.36Å; V19-T22 PolarHBondContact O-N 3.26Å; V19-L23 HydrophobicContact CG1-CD1 3.79Å; V19-L23 HydrophobicContact CG1-CG 4.47Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 PolarHBondContact O-N 3.22Å; V19-W30 HydrophobicContact CB-CE3 4.25Å; V19-W30 HydrophobicContact CB-CZ3 4.16Å; V19-W30 HydrophobicContact CG1-CE3 4.05Å; V19-W30 HydrophobicContact CG1-CZ3 4.19Å; V19-W30 HydrophobicContact CG2-CZ3 3.96Å; V19-V57 HydrophobicContact CG1-CG1 3.9Å; V19-V57 HydrophobicContact CG2-CB 3.97Å; V19-V57 HydrophobicContact CG2-CG1 4.11Å; V19-V57 HydrophobicContact CG2-CG2 4Å; V19-L65 HydrophobicContact CG1-CD1 4.21Å; V19-L65 HydrophobicContact CG1-CD2 4.15Å; V19-F82 HydrophobicContact CG2-CE2 3.9Å; V19-F82 HydrophobicContact CG2-CZ 3.96Å
20L90.4Very high87.7Confident37 Ų3758.7 Ų58.719%0.19427%0.272CS..Hα-helixtrans-62.1-45.2-178.8-67.6175.9000111.1A16 T22 K24 V25 P27 W30A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.93Å; L20-T22 PolarHBondContact O-N 3.29Å; L20-K24 VanDerWaalsContact O-CA 3.32Å; L20-K24 WeakPolarHBondContact O-CA 3.33Å; L20-K24 PolarHBondContact O-N 2.97Å; L20-V25 HydrophobicContact CD2-CG2 3.76Å; L20-V25 WeakPolarHBondContact CD2-O 3.33Å; L20-P27 HydrophobicContact CD1-CB 4.39Å; L20-P27 HydrophobicContact CD1-CG 4.44Å; L20-W30 HydrophobicContact CD2-CB 3.97Å; L20-W30 HydrophobicContact CG-CB 4.45Å
21R88.4Confident88.1Confident151 Ų15157.1 Ų57.157%0.5727%0.267SS*.Hα-helixtrans-63.6-41.2177.5-74.7-169.6-80.8149.61.4112.4D17 V19D17-R21 VanDerWaalsContact CG-NE 3.27Å; D17-R21 VanDerWaalsContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CB 3.48Å; D17-R21 VanDerWaalsContact O-CG 3.28Å; D17-R21 WeakPolarHBondContact O-CG 3.34Å; D17-R21 PolarHBondContact O-N 3.18Å; D17-R21 PolarHBondContact O-NE 2.94Å; D17-R21 IonicContact OD1-CZ 2.74Å; D17-R21 IonicContact OD1-NE 3.01Å; D17-R21 PolarHBondContact OD1-NE 3.09Å; D17-R21 IonicContact OD1-NH2 2.61Å; D17-R21 IonicContact OD2-CZ 3.69Å; D17-R21 IonicContact OD2-NE 3.33Å; D17-R21 PolarHBondContact OD2-NE 3.36Å; D17-R21 IonicContact OD2-NH2 3.06Å; D17-R21 PolarHBondContact OD2-NH2 2.8Å; V19-R21 PolarHBondContact O-N 3.36Å
22T86.6Confident88.2Confident36 Ų3661.7 Ų61.722%0.22129%0.287CS..Hα-helixtrans-83.4-39.9-171.6-53.20000113C18 V19 L20 K78 V80 D103C18-T22 WeakPolarHBondContact O-CB 3.12Å; C18-T22 PolarHBondContact O-N 3.05Å; C18-T22 VanDerWaalsContact O-N 3.11Å; C18-T22 PolarHBondContact O-OG1 3.03Å; V19-T22 PolarHBondContact O-N 3.26Å; L20-T22 PolarHBondContact O-N 3.29Å; T22-K78 PolarHBondContact O-NZ 3.39Å; T22-V80 HydrophobicContact CG2-CG2 3.61Å; T22-D103 HydrophobicContact CG2-CB 3.51Å
23L86.4Confident88.2Confident20 Ų2061.6 Ų61.611%0.10529%0.287CS..Hα-helixtrans-88.7-9.9179.3-60.7179.9000113.1V19 V25 V59 L65 K78 V80V19-L23 HydrophobicContact CG1-CD1 3.79Å; V19-L23 HydrophobicContact CG1-CG 4.47Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 PolarHBondContact O-N 3.22Å; L23-V25 HydrophobicContact CB-CG1 4.19Å; L23-V25 HydrophobicContact CB-CG2 4.15Å; L23-V25 PolarHBondContact O-N 3.4Å; L23-V59 HydrophobicContact CB-CG2 4.34Å; L23-V59 HydrophobicContact CD1-CG2 3.85Å; L23-V59 HydrophobicContact CD2-CG2 4.47Å; L23-V59 HydrophobicContact CG-CG2 4.45Å; L23-L65 HydrophobicContact CD1-CD2 3.69Å; L23-K78 HydrophobicContact CD2-CB 4.22Å; L23-K78 HydrophobicContact CD2-CD 4.21Å; L23-K78 HydrophobicContact CD2-CG 3.97Å; L23-V80 HydrophobicContact CD1-CG2 4.24Å; L23-V80 HydrophobicContact CD2-CG2 3.89Å; L23-V80 HydrophobicContact CG-CG2 3.74Å
24K86.4Confident88.2Confident185 Ų18558.2 Ų58.280%0.80427%0.271SS*.  trans53.136.1-177.9-58.9-177.4177.4-178.40112.8L20L20-K24 VanDerWaalsContact O-CA 3.32Å; L20-K24 WeakPolarHBondContact O-CA 3.33Å; L20-K24 PolarHBondContact O-N 2.97Å
25V85.9Confident88.1Confident33 Ų3361 Ų6120%0.230%0.295CS..  trans-90.8155.3175.2-70.30000110.5L20 L23 V59 L65L20-V25 HydrophobicContact CD2-CG2 3.76Å; L20-V25 WeakPolarHBondContact CD2-O 3.33Å; L23-V25 HydrophobicContact CB-CG1 4.19Å; L23-V25 HydrophobicContact CB-CG2 4.15Å; L23-V25 PolarHBondContact O-N 3.4Å; V25-V59 HydrophobicContact CG1-CG2 4.08Å; V25-L65 HydrophobicContact CG2-CD1 4.34Å; V25-L65 HydrophobicContact CG2-CD2 4.22Å
26R87.3Confident88.1Confident154 Ų15464.5 Ų64.558%0.58131%0.313SS*.  trans-72.8148.4177.9-63.7-171.3-46.7-155.91.1111.2D28 R29R26-D28 VanDerWaalsContact C-N 3.25Å; R26-D28 WeakPolarHBondContact CB-OD1 3.36Å; R26-D28 IonicContact CZ-OD1 3.86Å; R26-D28 IonicContact CZ-OD2 2.75Å; R26-D28 IonicContact NE-OD1 2.79Å; R26-D28 PolarHBondContact NE-OD1 3.43Å; R26-D28 IonicContact NE-OD2 3.46Å; R26-D28 IonicContact NH2-OD1 3.89Å; R26-D28 IonicContact NH2-OD2 3.93Å; R26-D28 PolarHBondContact NH2-OD2 2.83Å; R26-D28 PolarHBondContact O-N 3.03Å; R26-R29 WeakPolarHBondContact O-CB 3.49Å; R26-R29 PolarHBondContact O-N 2.95Å
27P88.1Confident88Confident78 Ų7872.7 Ų72.751%0.50635%0.347SS..Hα-helixtrans-54.7-35.2-179.8-27.335.2000114.8L20 R29 W30 E31L20-P27 HydrophobicContact CD1-CB 4.39Å; L20-P27 HydrophobicContact CD1-CG 4.44Å; P27-R29 PolarHBondContact O-N 3.23Å; P27-W30 PolarHBondContact O-N 3.22Å; P27-E31 PolarHBondContact O-N 2.75Å; P27-E31 VanDerWaalsContact O-N 3.11Å
28D86.9Confident87.9Confident45 Ų4575.2 Ų75.224%0.24136%0.361CS..Hα-helixtrans-57.1-26.217868.1-53000113.2R26 K32R26-D28 VanDerWaalsContact C-N 3.25Å; R26-D28 WeakPolarHBondContact CB-OD1 3.36Å; R26-D28 IonicContact CZ-OD1 3.86Å; R26-D28 IonicContact CZ-OD2 2.75Å; R26-D28 IonicContact NE-OD1 2.79Å; R26-D28 PolarHBondContact NE-OD1 3.43Å; R26-D28 IonicContact NE-OD2 3.46Å; R26-D28 IonicContact NH2-OD1 3.89Å; R26-D28 IonicContact NH2-OD2 3.93Å; R26-D28 PolarHBondContact NH2-OD2 2.83Å; R26-D28 PolarHBondContact O-N 3.03Å; D28-K32 WeakPolarHBondContact O-CG 3.44Å; D28-K32 PolarHBondContact O-N 3.45Å
29R85.9Confident87.9Confident75 Ų7576 Ų7628%0.28337%0.366SS..Hα-helixtrans-76.3-36.2177.3-62.4-65.7-173.7158.63112.3R26 P27 C33 G63 L65R26-R29 WeakPolarHBondContact O-CB 3.49Å; R26-R29 PolarHBondContact O-N 2.95Å; P27-R29 PolarHBondContact O-N 3.23Å; R29-C33 WeakPolarHBondContact O-CB 3.46Å; R29-C33 PolarHBondContact O-N 2.89Å; R29-C33 VanDerWaalsContact O-N 3.14Å; R29-G63 PolarHBondContact NH1-O 3.24Å; R29-L65 HydrophobicContact CB-CD1 4.39Å
30W90.4Very high87.8Confident20 Ų2080 Ų808%0.07638%0.382CS..Hα-helixtrans-68.8-43.8174177.1-96.2000110.9I15 A16 V19 L20 P27 K32 C33 A34 L43 L65I15-W30 HydrophobicContact CB-CH2 4.17Å; I15-W30 HydrophobicContact CB-CZ2 4.49Å; I15-W30 HydrophobicContact CG2-CH2 3.56Å; I15-W30 HydrophobicContact CG2-CZ2 4.34Å; I15-W30 HydrophobicContact CG2-CZ3 4.24Å; A16-W30 HydrophobicContact CB-CD2 3.75Å; A16-W30 HydrophobicContact CB-CG 3.91Å; A16-W30 HydrophobicContact CB-CZ2 3.81Å; V19-W30 HydrophobicContact CB-CE3 4.25Å; V19-W30 HydrophobicContact CB-CZ3 4.16Å; V19-W30 HydrophobicContact CG1-CE3 4.05Å; V19-W30 HydrophobicContact CG1-CZ3 4.19Å; V19-W30 HydrophobicContact CG2-CZ3 3.96Å; L20-W30 HydrophobicContact CD2-CB 3.97Å; L20-W30 HydrophobicContact CG-CB 4.45Å; P27-W30 PolarHBondContact O-N 3.22Å; W30-K32 VanDerWaalsContact C-N 3.31Å; W30-K32 PolarHBondContact O-N 2.79Å; W30-C33 CarbonylContact O-C 3.48Å; W30-C33 WeakPolarHBondContact O-CB 3.48Å; W30-C33 PolarHBondContact O-N 2.98Å; W30-C33 VanDerWaalsContact O-N 3.08Å; W30-A34 WeakPolarHBondContact O-CB 3.34Å; W30-A34 PolarHBondContact O-N 3.12Å; W30-L43 HydrophobicContact CH2-CD1 4.02Å; W30-L43 HydrophobicContact CH2-CD2 4.13Å; W30-L43 HydrophobicContact CZ2-CD1 4.32Å; W30-L65 HydrophobicContact CB-CD1 4.25Å; W30-L65 HydrophobicContact CE3-CD1 3.99Å
31E88.5Confident87.8Confident121 Ų12183 Ų8357%0.56540%0.395SS*.Hα-helixtrans-57.2-44.5177.3-69.8170.3-169.200111.8P27 A34 S35P27-E31 PolarHBondContact O-N 2.75Å; P27-E31 VanDerWaalsContact O-N 3.11Å; E31-A34 PolarHBondContact O-N 3.34Å; E31-S35 VanDerWaalsContact O-CB 3.27Å; E31-S35 WeakPolarHBondContact O-CB 3.31Å; E31-S35 PolarHBondContact O-N 3.37Å; E31-S35 PolarHBondContact O-OG 3.15Å
32K87.8Confident87.9Confident129 Ų12977.4 Ų77.456%0.56138%0.377SS*.Hα-helixtrans-62-43.3174.5-74.8177.2-177.5-178.30112.5D28 W30 S35 D36D28-K32 WeakPolarHBondContact O-CG 3.44Å; D28-K32 PolarHBondContact O-N 3.45Å; W30-K32 VanDerWaalsContact C-N 3.31Å; W30-K32 PolarHBondContact O-N 2.79Å; K32-S35 PolarHBondContact O-N 3.33Å; K32-D36 PolarHBondContact O-N 3.28Å
33C87.9Confident88.1Confident8 Ų875.8 Ų75.85%0.05437%0.367CS..Hα-helixtrans-65.2-40.5177.4-176.10000112.7R29 W30 S35 S39 L65R29-C33 WeakPolarHBondContact O-CB 3.46Å; R29-C33 PolarHBondContact O-N 2.89Å; R29-C33 VanDerWaalsContact O-N 3.14Å; W30-C33 CarbonylContact O-C 3.48Å; W30-C33 WeakPolarHBondContact O-CB 3.48Å; W30-C33 PolarHBondContact O-N 2.98Å; W30-C33 VanDerWaalsContact O-N 3.08Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 3.41Å; C33-S39 WeakPolarHBondContact O-CB 3.44Å; C33-L65 HydrophobicContact CB-CB 3.89Å; C33-L65 HydrophobicContact CB-CD1 4.33Å
34A87.1Confident88.3Confident13 Ų1377.6 Ų77.611%0.10738%0.375CS..Hα-helixtrans-77.3-16.6-18000000113.1W30 E31 R40W30-A34 WeakPolarHBondContact O-CB 3.34Å; W30-A34 PolarHBondContact O-N 3.12Å; E31-A34 PolarHBondContact O-N 3.34Å; A34-R40 WeakPolarHBondContact O-CD 3.3Å; A34-R40 PolarHBondContact O-NH1 3.35Å
35S86.3Confident88.5Confident93 Ų9371.3 Ų71.365%0.6535%0.35SS*.Hα-helixtrans-92.1-22.7175.7-56.60000113E31 K32 C33E31-S35 VanDerWaalsContact O-CB 3.27Å; E31-S35 WeakPolarHBondContact O-CB 3.31Å; E31-S35 PolarHBondContact O-N 3.37Å; E31-S35 PolarHBondContact O-OG 3.15Å; K32-S35 PolarHBondContact O-N 3.33Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 3.41Å
36D90.3Very high88.7Confident72 Ų7269.8 Ų69.839%0.38534%0.341SS..SBendtrans-65.8131.3172.1175.162.8000110.7K32 D38 S39 R40K32-D36 PolarHBondContact O-N 3.28Å; D36-D38 PolarHBondContact O-N 3.04Å; D36-S39 VanDerWaalsContact OD2-CB 3.22Å; D36-S39 WeakPolarHBondContact OD2-CB 3.49Å; D36-S39 PolarHBondContact OD2-N 3.2Å; D36-S39 PolarHBondContact OD2-OG 3.27Å; D36-R40 WeakPolarHBondContact O-CB 3.27Å; D36-R40 PolarHBondContact O-N 3.02Å
37K87.7Confident88.8Confident181 Ų18162.4 Ų62.479%0.78731%0.313SS*.Hα-helixtrans-65-44.2-170.4-72.2-174.9177.9-178.70112Q41K37-Q41 WeakPolarHBondContact O-CB 3.45Å; K37-Q41 PolarHBondContact O-N 2.99Å
38D88.6Confident88.9Confident127 Ų12762.3 Ų62.368%0.67931%0.308SS*.Hα-helixtrans-70.6-45-176.5-63.1-21.4000110.4D36 R40 Q41 V42D36-D38 PolarHBondContact O-N 3.04Å; D38-R40 PolarHBondContact O-N 2.96Å; D38-Q41 PolarHBondContact O-N 3.07Å; D38-V42 WeakPolarHBondContact O-CG2 3.29Å; D38-V42 PolarHBondContact O-N 3.03Å; D38-V42 VanDerWaalsContact O-N 3.11Å
39S88.1Confident89Confident18 Ų1863.1 Ų63.113%0.12632%0.315CS..Hα-helixtrans-63.2-40.9176.5-61.50000112.4C33 D36 V42 L43C33-S39 WeakPolarHBondContact O-CB 3.44Å; D36-S39 VanDerWaalsContact OD2-CB 3.22Å; D36-S39 WeakPolarHBondContact OD2-CB 3.49Å; D36-S39 PolarHBondContact OD2-N 3.2Å; D36-S39 PolarHBondContact OD2-OG 3.27Å; S39-V42 PolarHBondContact O-N 3.3Å; S39-L43 WeakPolarHBondContact O-CG 3.22Å; S39-L43 PolarHBondContact O-N 2.83Å; S39-L43 VanDerWaalsContact O-N 3.11Å
40R89.4Confident89.1Confident85 Ų8561.1 Ų61.132%0.32131%0.314SS..Hα-helixtrans-65.6-40.6176.4-171.5-180-173.6100.5-3.1111.7A34 D36 D38 V42 L43 Q44A34-R40 WeakPolarHBondContact O-CD 3.3Å; A34-R40 PolarHBondContact O-NH1 3.35Å; D36-R40 WeakPolarHBondContact O-CB 3.27Å; D36-R40 PolarHBondContact O-N 3.02Å; D38-R40 PolarHBondContact O-N 2.96Å; R40-V42 VanDerWaalsContact C-N 3.33Å; R40-V42 PolarHBondContact O-N 3.13Å; R40-L43 PolarHBondContact O-N 3.41Å; R40-Q44 HydrophobicContact CG-CG 4.46Å; R40-Q44 WeakPolarHBondContact O-CB 3.42Å; R40-Q44 WeakPolarHBondContact O-CG 3.28Å; R40-Q44 PolarHBondContact O-N 3.13Å
41Q90.5Very high89Confident100 Ų10065.9 Ų65.947%0.46734%0.337SS..Hα-helixtrans-58.9-46.7175.7-173.463.750.200110.7K37 D38 L43 Q44 D45K37-Q41 WeakPolarHBondContact O-CB 3.45Å; K37-Q41 PolarHBondContact O-N 2.99Å; D38-Q41 PolarHBondContact O-N 3.07Å; Q41-L43 VanDerWaalsContact C-N 3.34Å; Q41-L43 PolarHBondContact O-N 3.02Å; Q41-Q44 PolarHBondContact O-N 3.12Å; Q41-D45 PolarHBondContact NE2-OD1 3.07Å; Q41-D45 WeakPolarHBondContact O-CB 3.44Å; Q41-D45 PolarHBondContact O-N 3.14Å
42V90.3Very high88.9Confident33 Ų3362.8 Ų62.820%0.232%0.323CS..Hα-helixtrans-59.4-43.3177.4167.60000112.3D38 S39 R40 F46 L55 P67 T69D38-V42 WeakPolarHBondContact O-CG2 3.29Å; D38-V42 PolarHBondContact O-N 3.03Å; D38-V42 VanDerWaalsContact O-N 3.11Å; S39-V42 PolarHBondContact O-N 3.3Å; R40-V42 VanDerWaalsContact C-N 3.33Å; R40-V42 PolarHBondContact O-N 3.13Å; V42-F46 PolarHBondContact O-N 3.17Å; V42-F46 VanDerWaalsContact O-N 3.11Å; V42-L55 HydrophobicContact CG1-CD1 4.12Å; V42-P67 HydrophobicContact CB-CB 4.48Å; V42-P67 HydrophobicContact CB-CG 4.31Å; V42-P67 HydrophobicContact CG1-CB 3.86Å; V42-P67 HydrophobicContact CG1-CG 4.21Å; V42-T69 HydrophobicContact CG1-CG2 3.74Å
43L91.1Very high89Confident1 Ų161 Ų611%0.00531%0.312CS..Hα-helixtrans-65.6-41.7177.8-69.2169.3000111.6L12 W30 S39 R40 Q41 F46 L47 L55 P67L12-L43 HydrophobicContact CD2-CB 3.87Å; L12-L43 HydrophobicContact CD2-CD1 4.27Å; W30-L43 HydrophobicContact CH2-CD1 4.02Å; W30-L43 HydrophobicContact CH2-CD2 4.13Å; W30-L43 HydrophobicContact CZ2-CD1 4.32Å; S39-L43 WeakPolarHBondContact O-CG 3.22Å; S39-L43 PolarHBondContact O-N 2.83Å; S39-L43 VanDerWaalsContact O-N 3.11Å; R40-L43 PolarHBondContact O-N 3.41Å; Q41-L43 VanDerWaalsContact C-N 3.34Å; Q41-L43 PolarHBondContact O-N 3.02Å; L43-F46 PolarHBondContact O-N 3.08Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 2.88Å; L43-L47 VanDerWaalsContact O-N 3.16Å; L43-L55 HydrophobicContact CD2-CD1 4.01Å; L43-L55 HydrophobicContact CD2-CD2 3.73Å; L43-L55 HydrophobicContact CD2-CG 4.49Å; L43-P67 HydrophobicContact CD2-CB 4.04Å; L43-P67 HydrophobicContact CG-CB 4.17Å; L43-P67 HydrophobicContact CG-CG 4.32Å
44Q90.3Very high89.2Confident58 Ų5861.9 Ų61.927%0.27132%0.318SS..Hα-helixtrans-68.6-43.2177.1-73.8-175.2-15.200111.9R40 Q41 F46 L47 D48R40-Q44 HydrophobicContact CG-CG 4.46Å; R40-Q44 WeakPolarHBondContact O-CB 3.42Å; R40-Q44 WeakPolarHBondContact O-CG 3.28Å; R40-Q44 PolarHBondContact O-N 3.13Å; Q41-Q44 PolarHBondContact O-N 3.12Å; Q44-F46 PolarHBondContact O-N 3.45Å; Q44-L47 PolarHBondContact O-N 3.16Å; Q44-D48 WeakPolarHBondContact O-CB 3.45Å; Q44-D48 PolarHBondContact O-N 3.47Å
45D89.9Confident89.4Confident54 Ų5461.3 Ų61.329%0.28931%0.313SS..Hα-helixtrans-56.2-42.9175.6-73.1-12.8000110.9Q41 T49Q41-D45 PolarHBondContact NE2-OD1 3.07Å; Q41-D45 WeakPolarHBondContact O-CB 3.44Å; Q41-D45 PolarHBondContact O-N 3.14Å; D45-T49 WeakPolarHBondContact O-CA 3.48Å; D45-T49 WeakPolarHBondContact O-CB 3.38Å; D45-T49 PolarHBondContact O-N 2.8Å; D45-T49 PolarHBondContact O-OG1 3.27Å
46F90.8Very high89.6Confident0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-62.3-41.9174173.3-105.9000112.6I15 V42 L43 Q44 L55 F82 K84 L90 L99I15-F46 HydrophobicContact CD1-CD1 4.36Å; I15-F46 HydrophobicContact CD1-CE1 4.39Å; V42-F46 PolarHBondContact O-N 3.17Å; V42-F46 VanDerWaalsContact O-N 3.11Å; L43-F46 PolarHBondContact O-N 3.08Å; Q44-F46 PolarHBondContact O-N 3.45Å; F46-L55 HydrophobicContact CB-CB 4.09Å; F46-L55 HydrophobicContact CB-CD1 4.44Å; F46-L55 HydrophobicContact CB-CD2 4.44Å; F46-L55 HydrophobicContact CD1-CB 3.79Å; F46-L55 HydrophobicContact CD1-CD2 3.63Å; F46-L55 HydrophobicContact CD1-CG 4.3Å; F46-L55 HydrophobicContact CD2-CB 3.51Å; F46-L55 HydrophobicContact CE1-CB 4.07Å; F46-L55 HydrophobicContact CE1-CD2 4.07Å; F46-L55 HydrophobicContact CE2-CB 3.8Å; F46-L55 HydrophobicContact CG-CB 3.49Å; F46-L55 VanDerWaalsContact CG-CB 3.49Å; F46-L55 HydrophobicContact CG-CD2 4.05Å; F46-L55 HydrophobicContact CG-CG 4.26Å; F46-L55 HydrophobicContact CZ-CB 4.08Å; F46-F82 HydrophobicContact CE1-CB 4.36Å; F46-F82 HydrophobicContact CZ-CB 4.06Å; F46-K84 HydrophobicContact CE2-CD 4.41Å; F46-K84 HydrophobicContact CE2-CG 3.92Å; F46-K84 HydrophobicContact CZ-CG 3.97Å; F46-K84 WeakPolarHBondContact O-CE 3.4Å; F46-K84 PolarHBondContact O-NZ 3.11Å; F46-L90 HydrophobicContact CD1-CD1 4.47Å; F46-L90 HydrophobicContact CE1-CD1 3.73Å; F46-L90 HydrophobicContact CZ-CD1 3.99Å; F46-L99 HydrophobicContact CE1-CD1 4.19Å; F46-L99 HydrophobicContact CZ-CD1 3.67Å
47L89.3Confident89.7Confident0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-72.3-44.7-178.4-69.2172.6000112.2R11 L12 I15 L43 Q44 L90 I95R11-L47 HydrophobicContact CB-CD1 3.89Å; R11-L47 HydrophobicContact CB-CD2 3.91Å; L12-L47 HydrophobicContact CD2-CD1 3.73Å; L12-L47 HydrophobicContact CG-CD1 4.12Å; I15-L47 HydrophobicContact CD1-CD2 3.98Å; I15-L47 HydrophobicContact CD1-CG 4.5Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 2.88Å; L43-L47 VanDerWaalsContact O-N 3.16Å; Q44-L47 PolarHBondContact O-N 3.16Å; L47-L90 HydrophobicContact CD2-CB 4.24Å; L47-L90 HydrophobicContact CD2-CD1 4.03Å; L47-L90 PolarHBondContact O-N 3.24Å; L47-I95 HydrophobicContact CD2-CD1 4.23Å
48D90Very high89.7Confident76 Ų7645.5 Ų45.541%0.40623%0.23SC..Hα-helixtrans-96-19.2-165.5-61.5-29.5000113.3R11 Q44 V89R11-D48 IonicContact CZ-OD1 3.99Å; R11-D48 IonicContact NH1-OD1 2.83Å; R11-D48 PolarHBondContact NH1-OD1 3.48Å; R11-D48 IonicContact NH2-OD1 3.46Å; R11-D48 PolarHBondContact NH2-OD1 2.88Å; R11-D48 IonicContact NH2-OD2 2.7Å; Q44-D48 WeakPolarHBondContact O-CB 3.45Å; Q44-D48 PolarHBondContact O-N 3.47Å; D48-V89 VanDerWaalsContact O-CG2 3.32Å; D48-V89 WeakPolarHBondContact O-CG2 3.33Å
49T90Very high89.7Confident61 Ų6141 Ų4137%0.37421%0.207SC..  trans-96.3119.7178.7-50.70000111.6D45 E51 Q52 K84D45-T49 WeakPolarHBondContact O-CA 3.48Å; D45-T49 WeakPolarHBondContact O-CB 3.38Å; D45-T49 PolarHBondContact O-N 2.8Å; D45-T49 PolarHBondContact O-OG1 3.27Å; T49-E51 VanDerWaalsContact C-N 3.33Å; T49-E51 HydrophobicContact CG2-CB 4.31Å; T49-E51 PolarHBondContact O-N 3.29Å; T49-Q52 HydrophobicContact CG2-CB 4.21Å; T49-Q52 PolarHBondContact O-N 2.63Å; T49-K84 PolarHBondContact O-NZ 3.29Å
50A87.3Confident89.5Confident33 Ų3341 Ų4127%0.27321%0.207SC..SBendtrans-64.5-34.5179.900000113.5Q52 K87 V89A50-Q52 VanDerWaalsContact C-N 3.33Å; A50-K87 WeakPolarHBondContact O-CA 3.36Å; A50-V89 HydrophobicContact CB-CG2 4.39Å
51E87.3Confident88.9Confident121 Ų12142.1 Ų42.157%0.56523%0.234SC*.SBendtrans-73.8-24.6178.4-67-60.1148.600112.8T49 R53 K87T49-E51 VanDerWaalsContact C-N 3.33Å; T49-E51 HydrophobicContact CG2-CB 4.31Å; T49-E51 PolarHBondContact O-N 3.29Å; E51-R53 PolarHBondContact O-N 3.23Å; E51-R53 VanDerWaalsContact O-N 3.09Å; E51-K87 IonicContact OE1-NZ 3.85Å; E51-K87 WeakPolarHBondContact OE2-CE 3.28Å; E51-K87 IonicContact OE2-NZ 3.15Å; E51-K87 PolarHBondContact OE2-NZ 2.87Å
52Q87.8Confident88.3Confident55 Ų5541 Ų4126%0.25724%0.242SC..  trans-8096.2178-160.673.3-68.100110.2T49 A50 T69 K84T49-Q52 HydrophobicContact CG2-CB 4.21Å; T49-Q52 PolarHBondContact O-N 2.63Å; A50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-T69 HydrophobicContact CG-CG2 4.12Å; Q52-K84 WeakPolarHBondContact O-CD 3.44Å; Q52-K84 WeakPolarHBondContact O-CE 3.5Å; Q52-K84 PolarHBondContact O-NZ 3.16Å
53R90.1Very high87.8Confident91 Ų9140.6 Ų40.634%0.34325%0.245SC..  trans-92.4-16.4-173.2-68-170.971.1-176.22.6114.5E51 M83 K84 R85 K87E51-R53 PolarHBondContact O-N 3.23Å; E51-R53 VanDerWaalsContact O-N 3.09Å; R53-M83 CarbonylContact O-C 2.78Å; R53-M83 VanDerWaalsContact O-CA 3.26Å; R53-M83 WeakPolarHBondContact O-CA 3.27Å; R53-K84 PolarHBondContact NE-O 3.06Å; R53-K84 PolarHBondContact NH2-O 3.46Å; R53-K84 PolarHBondContact O-N 3.3Å; R53-R85 VanDerWaalsContact NH2-C 3.34Å; R53-R85 PolarHBondContact NH2-O 3.14Å; R53-K87 HydrophobicContact CG-CG 4.35Å
54T91.4Very high87.6Confident28 Ų2844.5 Ų44.517%0.17227%0.265CS..EExtended strand (participates in β ladder)trans-126139.4-171.4450000111.4T69 F71 F82 M83T54-T69 CarbonylContact O-C 3.57Å; T54-T69 WeakPolarHBondContact O-CA 3.38Å; T54-T69 VanDerWaalsContact O-O 3.05Å; T54-T69 PolarHBondContact OG1-O 2.94Å; T54-F71 HydrophobicContact CG2-CE2 3.75Å; T54-F71 HydrophobicContact CG2-CZ 4.28Å; T54-F82 WeakPolarHBondContact CA-O 3.3Å; T54-M83 HydrophobicContact CG2-CE 3.67Å; T54-M83 HydrophobicContact CG2-CG 4.27Å
55L91.5Very high87.5Confident1 Ų142.2 Ų42.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-136.4134.8168.9169.772.4000107.8I15 V42 L43 F46 V57 P67 A68 Y81 F82I15-L55 HydrophobicContact CD1-CD2 4.01Å; I15-L55 HydrophobicContact CG2-CD2 4.27Å; V42-L55 HydrophobicContact CG1-CD1 4.12Å; L43-L55 HydrophobicContact CD2-CD1 4.01Å; L43-L55 HydrophobicContact CD2-CD2 3.73Å; L43-L55 HydrophobicContact CD2-CG 4.49Å; F46-L55 HydrophobicContact CB-CB 4.09Å; F46-L55 HydrophobicContact CB-CD1 4.44Å; F46-L55 HydrophobicContact CB-CD2 4.44Å; F46-L55 HydrophobicContact CD1-CB 3.79Å; F46-L55 HydrophobicContact CD1-CD2 3.63Å; F46-L55 HydrophobicContact CD1-CG 4.3Å; F46-L55 HydrophobicContact CD2-CB 3.51Å; F46-L55 HydrophobicContact CE1-CB 4.07Å; F46-L55 HydrophobicContact CE1-CD2 4.07Å; F46-L55 HydrophobicContact CE2-CB 3.8Å; F46-L55 HydrophobicContact CG-CB 3.49Å; F46-L55 VanDerWaalsContact CG-CB 3.49Å; F46-L55 HydrophobicContact CG-CD2 4.05Å; F46-L55 HydrophobicContact CG-CG 4.26Å; F46-L55 HydrophobicContact CZ-CB 4.08Å; L55-V57 HydrophobicContact CG-CG2 4.38Å; L55-P67 HydrophobicContact CD1-CB 4.08Å; L55-A68 CarbonylContact C-O 3.32Å; L55-A68 WeakPolarHBondContact CA-O 3.49Å; L55-Y81 CarbonylContact O-C 3.47Å; L55-Y81 WeakPolarHBondContact O-CA 3.27Å; L55-F82 HydrophobicContact CB-CB 4.22Å; L55-F82 HydrophobicContact CD2-CD2 4.04Å; L55-F82 HydrophobicContact CG-CD2 4.25Å; L55-F82 PolarHBondContact N-O 3.42Å; L55-F82 PolarHBondContact O-N 3.35Å
56M91.1Very high87.5Confident12 Ų1243.4 Ų43.46%0.05926%0.258CS..EExtended strand (participates in β ladder)trans-125.7134.5174.3-175.1179.771.200108.9P67 A68 F71 A79 V80 L104M56-P67 CarbonylContact O-C 3.57Å; M56-P67 VanDerWaalsContact O-CA 3.3Å; M56-P67 WeakPolarHBondContact O-CA 3.5Å; M56-A68 PolarHBondContact N-O 3.41Å; M56-A68 PolarHBondContact O-N 3.47Å; M56-F71 HydrophobicContact SD-CD1 4.2Å; M56-A79 HydrophobicContact CG-CB 3.82Å; M56-A79 HydrophobicContact SD-CB 3.97Å; M56-V80 CarbonylContact C-O 3.43Å; M56-V80 WeakPolarHBondContact CA-O 3.14Å; M56-L104 HydrophobicContact SD-CD1 4.29Å
57V90.6Very high87.5Confident0 Ų044.1 Ų44.10%026%0.263CS..EExtended strand (participates in β ladder)trans-120118.5174.9-174.70000108.3V19 L55 L65 P67 A79 V80 F82V19-V57 HydrophobicContact CG1-CG1 3.9Å; V19-V57 HydrophobicContact CG2-CB 3.97Å; V19-V57 HydrophobicContact CG2-CG1 4.11Å; V19-V57 HydrophobicContact CG2-CG2 4Å; L55-V57 HydrophobicContact CG-CG2 4.38Å; V57-L65 HydrophobicContact CG1-CB 4.35Å; V57-L65 HydrophobicContact CG1-CD2 4.08Å; V57-P67 HydrophobicContact CG2-CB 4.37Å; V57-A79 CarbonylContact O-C 3.46Å; V57-A79 VanDerWaalsContact O-CA 3.29Å; V57-A79 WeakPolarHBondContact O-CA 3.47Å; V57-V80 PolarHBondContact N-O 2.82Å; V57-V80 PolarHBondContact O-N 3.44Å; V57-F82 HydrophobicContact CG2-CE2 4.34Å
58S89.4Confident87.5Confident1 Ų144.7 Ų44.71%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-120.3161.7177.761.40000111.6L65 E66 R75S58-L65 WeakPolarHBondContact O-CA 3.43Å; S58-E66 PolarHBondContact N-O 3.13Å; S58-E66 PolarHBondContact O-N 2.88Å; S58-R75 WeakPolarHBondContact OG-CD 3.3Å; S58-R75 PolarHBondContact OG-NH1 3.15Å
59V87.3Confident87.2Confident33 Ų3343 Ų4320%0.226%0.26CS..EExtended strand (participates in β ladder)trans-93.4132.9169.7-168.60000109.1L23 V25 L64 L65 N77L23-V59 HydrophobicContact CB-CG2 4.34Å; L23-V59 HydrophobicContact CD1-CG2 3.85Å; L23-V59 HydrophobicContact CD2-CG2 4.47Å; L23-V59 HydrophobicContact CG-CG2 4.45Å; V25-V59 HydrophobicContact CG1-CG2 4.08Å; V59-L64 CarbonylContact C-O 3.58Å; V59-L64 VanDerWaalsContact CA-O 3.3Å; V59-L64 WeakPolarHBondContact CA-O 3.47Å; V59-L65 HydrophobicContact CG2-CD2 4.06Å; V59-N77 VanDerWaalsContact O-CB 3.26Å; V59-N77 WeakPolarHBondContact O-CB 3.46Å; V59-N77 PolarHBondContact O-ND2 2.84Å
60S83.7Confident86.7Confident18 Ų1843.1 Ų43.113%0.12626%0.264CS..  trans-77168.3174.378.80000111.9A62 G63 L64 E66S60-A62 PolarHBondContact O-N 2.84Å; S60-A62 PolarHBondContact OG-N 3.06Å; S60-G63 PolarHBondContact O-N 3.13Å; S60-L64 PolarHBondContact N-O 2.93Å; S60-L64 PolarHBondContact OG-N 2.9Å; S60-L64 VanDerWaalsContact OG-N 3.17Å; S60-E66 WeakPolarHBondContact CB-OE1 3.29Å
61A77.1Confident86.1Confident108 Ų10846.6 Ų46.689%0.89327%0.273SS*.THydrogen-bonded Turntrans-59.5-27.1174.700000112.7G63A61-G63 VanDerWaalsContact C-N 3.26Å; A61-G63 PolarHBondContact O-N 3.12Å
62A79.1Confident84.7Confident77 Ų7743.2 Ų43.264%0.63627%0.265SS*.THydrogen-bonded Turntrans-82.52.7174.800000113.8S60S60-A62 PolarHBondContact O-N 2.84Å; S60-A62 PolarHBondContact OG-N 3.06Å
63G79.6Confident83.2Confident25 Ų2544.2 Ų44.226%0.25829%0.291SS..SBendtrans76.322.8-18000000114.6R29 S60 A61R29-G63 PolarHBondContact NH1-O 3.24Å; S60-G63 PolarHBondContact O-N 3.13Å; A61-G63 VanDerWaalsContact C-N 3.26Å; A61-G63 PolarHBondContact O-N 3.12Å
64L85.9Confident81.5Confident83 Ų8345.2 Ų45.244%0.43531%0.312SS..  trans-97.7148.9176.5-62.2171.8000110.8V59 S60V59-L64 CarbonylContact C-O 3.58Å; V59-L64 VanDerWaalsContact CA-O 3.3Å; V59-L64 WeakPolarHBondContact CA-O 3.47Å; S60-L64 PolarHBondContact N-O 2.93Å; S60-L64 PolarHBondContact OG-N 2.9Å; S60-L64 VanDerWaalsContact OG-N 3.17Å
65L88.9Confident80Confident10 Ų1048.1 Ų48.15%0.05232%0.32CS..EExtended strand (participates in β ladder)trans-84.1134.1174.7-66.9171.6000109.7V19 L23 V25 R29 W30 C33 V57 S58 V59V19-L65 HydrophobicContact CG1-CD1 4.21Å; V19-L65 HydrophobicContact CG1-CD2 4.15Å; L23-L65 HydrophobicContact CD1-CD2 3.69Å; V25-L65 HydrophobicContact CG2-CD1 4.34Å; V25-L65 HydrophobicContact CG2-CD2 4.22Å; R29-L65 HydrophobicContact CB-CD1 4.39Å; W30-L65 HydrophobicContact CB-CD1 4.25Å; W30-L65 HydrophobicContact CE3-CD1 3.99Å; C33-L65 HydrophobicContact CB-CB 3.89Å; C33-L65 HydrophobicContact CB-CD1 4.33Å; V57-L65 HydrophobicContact CG1-CB 4.35Å; V57-L65 HydrophobicContact CG1-CD2 4.08Å; S58-L65 WeakPolarHBondContact O-CA 3.43Å; V59-L65 HydrophobicContact CG2-CD2 4.06Å
66E89.3Confident78.7Confident78 Ų7856.2 Ų56.236%0.36436%0.355SS..EExtended strand (participates in β ladder)trans-128.6102.3-177.9-70.1177.8179.200109.6S58 S60 R75S58-E66 PolarHBondContact N-O 3.13Å; S58-E66 PolarHBondContact O-N 2.88Å; S60-E66 WeakPolarHBondContact CB-OE1 3.29Å; E66-R75 PolarHBondContact O-NH1 3.43Å
67P90.4Very high78Confident15 Ų1558.7 Ų58.710%0.09737%0.368CS..EExtended strand (participates in β ladder)trans-76.4143.217433-33.1000110.2V42 L43 L55 M56 V57V42-P67 HydrophobicContact CB-CB 4.48Å; V42-P67 HydrophobicContact CB-CG 4.31Å; V42-P67 HydrophobicContact CG1-CB 3.86Å; V42-P67 HydrophobicContact CG1-CG 4.21Å; L43-P67 HydrophobicContact CD2-CB 4.04Å; L43-P67 HydrophobicContact CG-CB 4.17Å; L43-P67 HydrophobicContact CG-CG 4.32Å; L55-P67 HydrophobicContact CD1-CB 4.08Å; M56-P67 CarbonylContact O-C 3.57Å; M56-P67 VanDerWaalsContact O-CA 3.3Å; M56-P67 WeakPolarHBondContact O-CA 3.5Å; V57-P67 HydrophobicContact CG2-CB 4.37Å
68A88.9Confident77.8Confident12 Ų1262.8 Ų62.810%0.09939%0.386CS..EExtended strand (participates in β ladder)trans-143.5145.1177.800000110.2L55 M56L55-A68 CarbonylContact C-O 3.32Å; L55-A68 WeakPolarHBondContact CA-O 3.49Å; M56-A68 PolarHBondContact N-O 3.41Å; M56-A68 PolarHBondContact O-N 3.47Å
69T84.4Confident77.7Confident40 Ų4062.9 Ų62.925%0.24539%0.387CS..SBendtrans-87.3-10-178.155.20000113.8V42 Q52 T54V42-T69 HydrophobicContact CG1-CG2 3.74Å; Q52-T69 HydrophobicContact CG-CG2 4.12Å; T54-T69 CarbonylContact O-C 3.57Å; T54-T69 WeakPolarHBondContact O-CA 3.38Å; T54-T69 VanDerWaalsContact O-O 3.05Å; T54-T69 PolarHBondContact OG1-O 2.94Å
70S80.6Confident77.9Confident65 Ų6561.3 Ų61.346%0.45538%0.378SS..SBendtrans-130.2156.717964.90000111.2A72S70-A72 PolarHBondContact O-N 3.33Å
71F72.9Confident78.3Confident106 Ų10663.5 Ų63.547%0.46538%0.384SS..  trans-74.470.5166.2-58.3-77.6000108.7T54 M56 G73 M83 L104T54-F71 HydrophobicContact CG2-CE2 3.75Å; T54-F71 HydrophobicContact CG2-CZ 4.28Å; M56-F71 HydrophobicContact SD-CD1 4.2Å; F71-G73 PolarHBondContact O-N 3.44Å; F71-M83 HydrophobicContact CE2-CE 4.18Å; F71-M83 HydrophobicContact CZ-CE 4.36Å; F71-L104 HydrophobicContact CD1-CD1 4.24Å; F71-L104 HydrophobicContact CE1-CD1 3.99Å
72A59.8Low79Confident49 Ų4958.4 Ų58.441%0.40534%0.341SS..  trans-64130.3175.200000109.6S70S70-A72 PolarHBondContact O-N 3.33Å
73G55.2Low79.6Confident77 Ų7758.1 Ų58.179%0.79433%0.328SS*.SBendtrans-62143-173.400000113.5F71F71-G73 PolarHBondContact O-N 3.44Å
74S53.5Low80.2Confident112 Ų11257 Ų5778%0.78332%0.316SS*.  trans74.249.2170.9-169.40000117.5
75R61.6Low80.4Confident88 Ų8860.7 Ų60.733%0.33232%0.324SS..  trans-95.7113.3158-63.6-169.1-178.5-178.4-2.1109.6S58 E66 N77S58-R75 WeakPolarHBondContact OG-CD 3.3Å; S58-R75 PolarHBondContact OG-NH1 3.15Å; E66-R75 PolarHBondContact O-NH1 3.43Å; R75-N77 PolarHBondContact O-N 2.99Å
76K63Low80.3Confident171 Ų17166.3 Ų66.374%0.74335%0.35SS*.  trans-74.66177.5-67.6-174.5177.5-179.40113.7S106K76-S106 WeakPolarHBondContact O-CB 3.41Å
77N77.5Confident80.1Confident65 Ų6568.5 Ų68.535%0.34836%0.358SS..SBendtrans-109.9150-169-63-14000110.4V59 R75 A79V59-N77 VanDerWaalsContact O-CB 3.26Å; V59-N77 WeakPolarHBondContact O-CB 3.46Å; V59-N77 PolarHBondContact O-ND2 2.84Å; R75-N77 PolarHBondContact O-N 2.99Å; N77-A79 PolarHBondContact O-N 3.25Å
78K84.8Confident79.9Confident85 Ų8568.7 Ų68.737%0.3736%0.361SS..  trans-56.2135.1173.4-167.7-179-175-175.10109.6T22 L23 L104T22-K78 PolarHBondContact O-NZ 3.39Å; L23-K78 HydrophobicContact CD2-CB 4.22Å; L23-K78 HydrophobicContact CD2-CD 4.21Å; L23-K78 HydrophobicContact CD2-CG 3.97Å; K78-L104 WeakPolarHBondContact CA-O 3.32Å; K78-L104 WeakPolarHBondContact CG-O 3.47Å
79A88.9Confident79.9Confident4 Ų471.7 Ų71.73%0.03338%0.378CS..EExtended strand (participates in β ladder)trans-132.6161.9178.900000111.2M56 V57 N77 D103 L104M56-A79 HydrophobicContact CG-CB 3.82Å; M56-A79 HydrophobicContact SD-CB 3.97Å; V57-A79 CarbonylContact O-C 3.46Å; V57-A79 VanDerWaalsContact O-CA 3.29Å; V57-A79 WeakPolarHBondContact O-CA 3.47Å; N77-A79 PolarHBondContact O-N 3.25Å; A79-D103 WeakPolarHBondContact O-CA 3.38Å; A79-L104 HydrophobicContact CB-CB 4.29Å; A79-L104 PolarHBondContact N-O 2.86Å; A79-L104 PolarHBondContact O-N 2.82Å
80V91.4Very high79.9Confident0 Ų069.9 Ų69.90%037%0.367CS..EExtended strand (participates in β ladder)trans-115.3129.4169.4-172.70000107.1T22 L23 M56 V57 F82 G102T22-V80 HydrophobicContact CG2-CG2 3.61Å; L23-V80 HydrophobicContact CD1-CG2 4.24Å; L23-V80 HydrophobicContact CD2-CG2 3.89Å; L23-V80 HydrophobicContact CG-CG2 3.74Å; M56-V80 CarbonylContact C-O 3.43Å; M56-V80 WeakPolarHBondContact CA-O 3.14Å; V57-V80 PolarHBondContact N-O 2.82Å; V57-V80 PolarHBondContact O-N 3.44Å; V80-F82 HydrophobicContact CB-CE2 4.17Å; V80-F82 HydrophobicContact CG1-CD2 4.4Å; V80-F82 HydrophobicContact CG1-CE1 4.38Å; V80-F82 HydrophobicContact CG1-CE2 3.65Å; V80-F82 HydrophobicContact CG1-CZ 3.64Å; V80-G102 WeakPolarHBondContact CA-O 3.42Å
81Y91.6Very high80.1Confident64 Ų6468.7 Ų68.725%0.25136%0.359SS..EExtended strand (participates in β ladder)trans-107.3151.2174.575.3-87.1000110.7L55 V100 Y101 G102 L104L55-Y81 CarbonylContact O-C 3.47Å; L55-Y81 WeakPolarHBondContact O-CA 3.27Å; Y81-V100 HydrophobicContact CE2-CG1 4.5Å; Y81-Y101 WeakPolarHBondContact O-CA 3.5Å; Y81-Y101 WeakPolarHBondContact O-CB 3.44Å; Y81-G102 WeakPolarHBondContact CD1-O 3.47Å; Y81-G102 VanDerWaalsContact CE1-C 3.4Å; Y81-G102 VanDerWaalsContact CE1-CA 3.43Å; Y81-G102 PolarHBondContact N-O 2.92Å; Y81-G102 PolarHBondContact O-N 3.12Å; Y81-G102 VanDerWaalsContact O-N 3.13Å; Y81-L104 HydrophobicContact CD1-CD1 4.11Å; Y81-L104 HydrophobicContact CD1-CD2 4.44Å; Y81-L104 HydrophobicContact CD1-CG 3.84Å; Y81-L104 HydrophobicContact CE1-CG 4.47Å
82F92.3Very high80.6Confident0 Ų066.5 Ų66.50%036%0.355CS..EExtended strand (participates in β ladder)trans-133.4129.5175.8-60.1-87.3000107.5I15 C18 V19 F46 T54 L55 V57 V80 L99 V100 Y101I15-F82 HydrophobicContact CG2-CD2 4.47Å; I15-F82 HydrophobicContact CG2-CE1 4.46Å; I15-F82 HydrophobicContact CG2-CE2 3.84Å; I15-F82 HydrophobicContact CG2-CZ 3.83Å; C18-F82 HydrophobicContact CB-CE1 3.73Å; C18-F82 HydrophobicContact CB-CZ 3.7Å; V19-F82 HydrophobicContact CG2-CE2 3.9Å; V19-F82 HydrophobicContact CG2-CZ 3.96Å; F46-F82 HydrophobicContact CE1-CB 4.36Å; F46-F82 HydrophobicContact CZ-CB 4.06Å; T54-F82 WeakPolarHBondContact CA-O 3.3Å; L55-F82 HydrophobicContact CB-CB 4.22Å; L55-F82 HydrophobicContact CD2-CD2 4.04Å; L55-F82 HydrophobicContact CG-CD2 4.25Å; L55-F82 PolarHBondContact N-O 3.42Å; L55-F82 PolarHBondContact O-N 3.35Å; V57-F82 HydrophobicContact CG2-CE2 4.34Å; V80-F82 HydrophobicContact CB-CE2 4.17Å; V80-F82 HydrophobicContact CG1-CD2 4.4Å; V80-F82 HydrophobicContact CG1-CE1 4.38Å; V80-F82 HydrophobicContact CG1-CE2 3.65Å; V80-F82 HydrophobicContact CG1-CZ 3.64Å; F82-L99 HydrophobicContact CB-CD1 4.09Å; F82-L99 HydrophobicContact CB-CD2 4.27Å; F82-L99 HydrophobicContact CB-CG 4.36Å; F82-L99 HydrophobicContact CD1-CD2 3.55Å; F82-L99 HydrophobicContact CD1-CG 4.27Å; F82-L99 HydrophobicContact CE1-CD2 4.36Å; F82-L99 HydrophobicContact CG-CD2 4.34Å; F82-V100 CarbonylContact C-O 3.6Å; F82-V100 WeakPolarHBondContact CA-O 3.38Å; F82-Y101 VanDerWaalsContact CD1-CB 3.47Å; F82-Y101 HydrophobicContact CD1-CG 4.33Å; F82-Y101 HydrophobicContact CE1-CG 4.29Å
83M91.6Very high81.6Confident71 Ų7171 Ų7135%0.3537%0.368SS..EExtended strand (participates in β ladder)trans-133.8125.9-177.4-173.3177.2-79.500110.7R53 T54 F71 V100R53-M83 CarbonylContact O-C 2.78Å; R53-M83 VanDerWaalsContact O-CA 3.26Å; R53-M83 WeakPolarHBondContact O-CA 3.27Å; T54-M83 HydrophobicContact CG2-CE 3.67Å; T54-M83 HydrophobicContact CG2-CG 4.27Å; F71-M83 HydrophobicContact CE2-CE 4.18Å; F71-M83 HydrophobicContact CZ-CE 4.36Å; M83-V100 PolarHBondContact N-O 3.24Å; M83-V100 PolarHBondContact O-N 3.09Å
84K91.9Very high82.9Confident2 Ų268.2 Ų68.21%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-73.6128.5174.9-57.1-176.1-176.4179.30110.4F46 T49 Q52 R53 E86 A88 L90F46-K84 HydrophobicContact CE2-CD 4.41Å; F46-K84 HydrophobicContact CE2-CG 3.92Å; F46-K84 HydrophobicContact CZ-CG 3.97Å; F46-K84 WeakPolarHBondContact O-CE 3.4Å; F46-K84 PolarHBondContact O-NZ 3.11Å; T49-K84 PolarHBondContact O-NZ 3.29Å; Q52-K84 WeakPolarHBondContact O-CD 3.44Å; Q52-K84 WeakPolarHBondContact O-CE 3.5Å; Q52-K84 PolarHBondContact O-NZ 3.16Å; R53-K84 PolarHBondContact NE-O 3.06Å; R53-K84 PolarHBondContact NH2-O 3.46Å; R53-K84 PolarHBondContact O-N 3.3Å; K84-E86 WeakPolarHBondContact CB-O 3.36Å; K84-E86 PolarHBondContact O-N 3.42Å; K84-A88 WeakPolarHBondContact CD-O 3.34Å; K84-A88 PolarHBondContact NZ-O 3.46Å; K84-L90 HydrophobicContact CD-CD1 4.32Å; K84-L90 HydrophobicContact CD-CG 4.24Å; K84-L90 HydrophobicContact CG-CD1 4.19Å; K84-L90 HydrophobicContact CG-CD2 4.45Å; K84-L90 HydrophobicContact CG-CG 4.44Å
85R89.4Confident84.3Confident161 Ų16163.1 Ų63.161%0.60830%0.3SS*.SBendtrans-61-33.1176.8-69.7-176.5177.2-163.9-0112.7R53 D97 R98 V100R53-R85 VanDerWaalsContact NH2-C 3.34Å; R53-R85 PolarHBondContact NH2-O 3.14Å; R85-D97 WeakPolarHBondContact CD-O 3.36Å; R85-D97 PolarHBondContact NE-O 2.93Å; R85-R98 WeakPolarHBondContact CG-O 3.34Å; R85-R98 PolarHBondContact N-O 2.88Å; R85-V100 HydrophobicContact CG-CG2 3.81Å
86E86.7Confident85.3Confident127 Ų12765.9 Ų65.959%0.59331%0.314SS*.SBendtrans-135162.1-179.1-65.4173.6-173.800110.4K84 A88K84-E86 WeakPolarHBondContact CB-O 3.36Å; K84-E86 PolarHBondContact O-N 3.42Å; E86-A88 PolarHBondContact O-N 3.48Å
87K86.8Confident86.4Confident124 Ų12463.4 Ų63.454%0.53931%0.309SS..SBendtrans-7686.2174.3-69.7-174.7176.2-158.70110A50 E51 R53A50-K87 WeakPolarHBondContact O-CA 3.36Å; E51-K87 IonicContact OE1-NZ 3.85Å; E51-K87 WeakPolarHBondContact OE2-CE 3.28Å; E51-K87 IonicContact OE2-NZ 3.15Å; E51-K87 PolarHBondContact OE2-NZ 2.87Å; R53-K87 HydrophobicContact CG-CG 4.35Å
88A85.9Confident86.7Confident20 Ų2065.5 Ų65.517%0.16531%0.312CS..  trans-145.8156.9-178.300000112.1K84 E86K84-A88 WeakPolarHBondContact CD-O 3.34Å; K84-A88 PolarHBondContact NZ-O 3.46Å; E86-A88 PolarHBondContact O-N 3.48Å
89V87.1Confident86.9Confident74 Ų7461.8 Ų61.845%0.44830%0.296SS..PPolyproline II helixtrans-72140.1167.7-179.20000109D48 A50D48-V89 VanDerWaalsContact O-CG2 3.32Å; D48-V89 WeakPolarHBondContact O-CG2 3.33Å; A50-V89 HydrophobicContact CB-CG2 4.39Å
90L86.3Confident87Confident2 Ų264.3 Ų64.31%0.0131%0.311CS..PPolyproline II helixtrans-91.5123.2179.9-65.8173000110R11 F46 L47 K84 I95 R98 L99R11-L90 WeakPolarHBondContact CD-O 3.31Å; R11-L90 PolarHBondContact NH1-O 3.06Å; F46-L90 HydrophobicContact CD1-CD1 4.47Å; F46-L90 HydrophobicContact CE1-CD1 3.73Å; F46-L90 HydrophobicContact CZ-CD1 3.99Å; L47-L90 HydrophobicContact CD2-CB 4.24Å; L47-L90 HydrophobicContact CD2-CD1 4.03Å; L47-L90 PolarHBondContact O-N 3.24Å; K84-L90 HydrophobicContact CD-CD1 4.32Å; K84-L90 HydrophobicContact CD-CG 4.24Å; K84-L90 HydrophobicContact CG-CD1 4.19Å; K84-L90 HydrophobicContact CG-CD2 4.45Å; K84-L90 HydrophobicContact CG-CG 4.44Å; L90-I95 HydrophobicContact CD1-CG1 4.44Å; L90-R98 HydrophobicContact CD2-CB 4.1Å; L90-L99 HydrophobicContact CD1-CD1 4.23Å
91S84.6Confident87Confident41 Ų4169.5 Ų69.529%0.28733%0.332SS..PPolyproline II helixtrans-96.6159.5168.782.60000110.5E93 S94 I95S91-E93 WeakPolarHBondContact CB-OE2 3.44Å; S91-E93 PolarHBondContact O-N 3.49Å; S91-E93 VanDerWaalsContact O-N 3.15Å; S91-E93 PolarHBondContact OG-N 2.99Å; S91-E93 PolarHBondContact OG-OE2 3.31Å; S91-S94 PolarHBondContact N-OG 3.42Å; S91-S94 PolarHBondContact O-N 3.43Å; S91-S94 VanDerWaalsContact O-N 3.14Å; S91-S94 PolarHBondContact O-OG 3.1Å; S91-S94 PolarHBondContact OG-N 3.08Å; S91-S94 PolarHBondContact OG-OG 3.29Å; S91-I95 PolarHBondContact O-N 3.5Å; S91-I95 VanDerWaalsContact O-N 3.1Å
92P82.4Confident86.8Confident60 Ų6067.3 Ų67.339%0.3933%0.328SS..THydrogen-bonded Turntrans-54.1-31.8176.3-23.532.6000114R11R11-P92 HydrophobicContact CG-CB 4.3Å; R11-P92 HydrophobicContact CG-CG 3.94Å
93E81.6Confident86.6Confident144 Ų14470.6 Ų70.667%0.67335%0.346SS*.THydrogen-bonded Turntrans-82.9-30.8-178.2-5271-150.900112.1S91S91-E93 WeakPolarHBondContact CB-OE2 3.44Å; S91-E93 PolarHBondContact O-N 3.49Å; S91-E93 VanDerWaalsContact O-N 3.15Å; S91-E93 PolarHBondContact OG-N 2.99Å; S91-E93 PolarHBondContact OG-OE2 3.31Å
94S82.4Confident86.4Confident18 Ų1869.3 Ų69.313%0.12634%0.34CS..THydrogen-bonded Turntrans-95-11.9-173.559.60000114.2S91 K96 D97 R98S91-S94 PolarHBondContact N-OG 3.42Å; S91-S94 PolarHBondContact O-N 3.43Å; S91-S94 VanDerWaalsContact O-N 3.14Å; S91-S94 PolarHBondContact O-OG 3.1Å; S91-S94 PolarHBondContact OG-N 3.08Å; S91-S94 PolarHBondContact OG-OG 3.29Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 3.01Å; S94-D97 PolarHBondContact O-N 3.47Å; S94-R98 WeakPolarHBondContact O-CB 3.18Å; S94-R98 WeakPolarHBondContact O-CG 3.12Å; S94-R98 PolarHBondContact O-N 2.81Å; S94-R98 VanDerWaalsContact O-N 3.08Å
95I83.4Confident86.1Confident4 Ų471 Ų712%0.02135%0.352CS..Hα-helixtrans-60.8-34.8-174.7-162.8165.7000113.3R11 F14 L47 L90 S91 L99R11-I95 HydrophobicContact CB-CD1 4Å; F14-I95 HydrophobicContact CB-CD1 4.35Å; F14-I95 HydrophobicContact CD1-CD1 3.92Å; F14-I95 HydrophobicContact CD1-CG1 3.97Å; F14-I95 HydrophobicContact CD1-CG2 4.29Å; F14-I95 HydrophobicContact CE1-CG1 4.41Å; F14-I95 HydrophobicContact CG-CD1 4.47Å; F14-I95 HydrophobicContact CG-CG2 4.27Å; L47-I95 HydrophobicContact CD2-CD1 4.23Å; L90-I95 HydrophobicContact CD1-CG1 4.44Å; S91-I95 PolarHBondContact O-N 3.5Å; S91-I95 VanDerWaalsContact O-N 3.1Å; I95-L99 HydrophobicContact CG1-CD2 4.16Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 PolarHBondContact O-N 3.38Å
96K82.3Confident85.6Confident146 Ų14667.1 Ų67.164%0.63535%0.35SS*.Hα-helixtrans-71.4-36.6-177.4-68.1-177.1-179.9177.90113.1F14 S94F14-K96 HydrophobicContact CD2-CG 4.36Å; F14-K96 HydrophobicContact CE2-CG 3.91Å; F14-K96 HydrophobicContact CZ-CG 4.28Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 3.01Å
97D84.6Confident85.4Confident120 Ų12062.7 Ų62.764%0.64234%0.335SS*.Hα-helixtrans-91.5-28.1-174.6-62.1-33.5000112.7R85 S94R85-D97 WeakPolarHBondContact CD-O 3.36Å; R85-D97 PolarHBondContact NE-O 2.93Å; S94-D97 PolarHBondContact O-N 3.47Å
98R85.6Confident85.1Confident109 Ų10960.2 Ų60.241%0.41133%0.332SS..Hα-helixtrans-93.8-5.9-175.4-64-170.5175.4-176.2-6.2114.2R85 L90 S94R85-R98 WeakPolarHBondContact CG-O 3.34Å; R85-R98 PolarHBondContact N-O 2.88Å; L90-R98 HydrophobicContact CD2-CB 4.1Å; S94-R98 WeakPolarHBondContact O-CB 3.18Å; S94-R98 WeakPolarHBondContact O-CG 3.12Å; S94-R98 PolarHBondContact O-N 2.81Å; S94-R98 VanDerWaalsContact O-N 3.08Å
99L88.9Confident84.9Confident6 Ų663.4 Ų63.43%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-108.7131.5-176.8-159.867.4000111.5F14 F46 F82 L90 I95F14-L99 HydrophobicContact CD1-CD2 4.41Å; F14-L99 HydrophobicContact CE1-CD2 3.97Å; F46-L99 HydrophobicContact CE1-CD1 4.19Å; F46-L99 HydrophobicContact CZ-CD1 3.67Å; F82-L99 HydrophobicContact CB-CD1 4.09Å; F82-L99 HydrophobicContact CB-CD2 4.27Å; F82-L99 HydrophobicContact CB-CG 4.36Å; F82-L99 HydrophobicContact CD1-CD2 3.55Å; F82-L99 HydrophobicContact CD1-CG 4.27Å; F82-L99 HydrophobicContact CE1-CD2 4.36Å; F82-L99 HydrophobicContact CG-CD2 4.34Å; L90-L99 HydrophobicContact CD1-CD1 4.23Å; I95-L99 HydrophobicContact CG1-CD2 4.16Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 PolarHBondContact O-N 3.38Å
100V90Very high84.6Confident58 Ų5863.5 Ų63.535%0.35234%0.343SS..EExtended strand (participates in β ladder)trans-102.3128.5163.9179.20000106.8Y81 F82 M83 R85Y81-V100 HydrophobicContact CE2-CG1 4.5Å; F82-V100 CarbonylContact C-O 3.6Å; F82-V100 WeakPolarHBondContact CA-O 3.38Å; M83-V100 PolarHBondContact N-O 3.24Å; M83-V100 PolarHBondContact O-N 3.09Å; R85-V100 HydrophobicContact CG-CG2 3.81Å
101Y90.6Very high84.6Confident109 Ų10966.2 Ų66.243%0.42736%0.356SS..EExtended strand (participates in β ladder)trans-135.1154.7177.464.1-86.9000110.4F14 Y81 F82F14-Y101 HydrophobicContact CZ-CE1 4.08Å; Y81-Y101 WeakPolarHBondContact O-CA 3.5Å; Y81-Y101 WeakPolarHBondContact O-CB 3.44Å; F82-Y101 VanDerWaalsContact CD1-CB 3.47Å; F82-Y101 HydrophobicContact CD1-CG 4.33Å; F82-Y101 HydrophobicContact CE1-CG 4.29Å
102G88.8Confident84.8Confident17 Ų1768.6 Ų68.618%0.17536%0.361CS..EExtended strand (participates in β ladder)trans-169.6174.1-179.400000111.2V80 Y81V80-G102 WeakPolarHBondContact CA-O 3.42Å; Y81-G102 WeakPolarHBondContact CD1-O 3.47Å; Y81-G102 VanDerWaalsContact CE1-C 3.4Å; Y81-G102 VanDerWaalsContact CE1-CA 3.43Å; Y81-G102 PolarHBondContact N-O 2.92Å; Y81-G102 PolarHBondContact O-N 3.12Å; Y81-G102 VanDerWaalsContact O-N 3.13Å
103D88.3Confident84.9Confident70 Ų7067.1 Ų67.137%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-97.9145.1176.969-43.6000111.9T22 A79 Q111T22-D103 HydrophobicContact CG2-CB 3.51Å; A79-D103 WeakPolarHBondContact O-CA 3.38Å; D103-Q111 PolarHBondContact O-NE2 3.26Å
104L86.4Confident85.2Confident44 Ų4462.8 Ų62.823%0.2334%0.342CS..EExtended strand (participates in β ladder)trans-112.3122.5169.7-72.5166.1000107.7M56 F71 K78 A79 Y81M56-L104 HydrophobicContact SD-CD1 4.29Å; F71-L104 HydrophobicContact CD1-CD1 4.24Å; F71-L104 HydrophobicContact CE1-CD1 3.99Å; K78-L104 WeakPolarHBondContact CA-O 3.32Å; K78-L104 WeakPolarHBondContact CG-O 3.47Å; A79-L104 HydrophobicContact CB-CB 4.29Å; A79-L104 PolarHBondContact N-O 2.86Å; A79-L104 PolarHBondContact O-N 2.82Å; Y81-L104 HydrophobicContact CD1-CD1 4.11Å; Y81-L104 HydrophobicContact CD1-CD2 4.44Å; Y81-L104 HydrophobicContact CD1-CG 3.84Å; Y81-L104 HydrophobicContact CE1-CG 4.47Å
105S85.1Confident85.5Confident36 Ų3665.9 Ų65.925%0.25236%0.356SS..  trans-69.4164.8173.975.60000111A107 Q111S105-A107 PolarHBondContact O-N 3.42Å; S105-A107 PolarHBondContact OG-N 3.32Å; S105-A107 VanDerWaalsContact OG-N 3.17Å; S105-A107 PolarHBondContact OG-O 3.21Å; S105-Q111 WeakPolarHBondContact OG-CB 3.35Å; S105-Q111 PolarHBondContact OG-OE1 3.05Å
106S80.8Confident85.8Confident80 Ų8065.9 Ų65.956%0.55936%0.356SS*.SBendtrans-62.2-15.9169.447.50000113.4K76K76-S106 WeakPolarHBondContact O-CB 3.41Å
107A81.3Confident85.9Confident35 Ų3559.8 Ų59.829%0.28934%0.335SS..SBendtrans-124.173.6178.700000110.2S105 L109 D110 Q111S105-A107 PolarHBondContact O-N 3.42Å; S105-A107 PolarHBondContact OG-N 3.32Å; S105-A107 VanDerWaalsContact OG-N 3.17Å; S105-A107 PolarHBondContact OG-O 3.21Å; A107-L109 PolarHBondContact O-N 3Å; A107-L109 VanDerWaalsContact O-N 3.08Å; A107-D110 HydrophobicContact CB-CB 4.06Å; A107-D110 WeakPolarHBondContact CB-OD2 3.14Å; A107-D110 PolarHBondContact O-N 3.12Å; A107-Q111 PolarHBondContact O-N 2.86Å; A107-Q111 VanDerWaalsContact O-N 3.08Å
108P80.6Confident86Confident72 Ų7261.3 Ų61.347%0.46834%0.338SS..Hα-helixtrans-59.3-28.8-170.422.5-34.1000113.5F112P108-F112 VanDerWaalsContact O-CB 3.29Å; P108-F112 WeakPolarHBondContact O-CB 3.07Å; P108-F112 PolarHBondContact O-N 3.37Å
109L81Confident86.1Confident87 Ų8759.4 Ų59.446%0.45534%0.338SS..Hα-helixtrans-76.2-35.2179.3-70.3153.5000112.2A107 F112 S113 L159A107-L109 PolarHBondContact O-N 3Å; A107-L109 VanDerWaalsContact O-N 3.08Å; L109-F112 PolarHBondContact O-N 3.49Å; L109-S113 WeakPolarHBondContact O-CB 3.43Å; L109-S113 PolarHBondContact O-N 2.87Å; L109-L159 HydrophobicContact CB-CD1 3.91Å; L109-L159 HydrophobicContact CD1-CD1 3.3Å; L109-L159 HydrophobicContact CD1-CD2 4.18Å; L109-L159 HydrophobicContact CD1-CG 4.36Å; L109-L159 HydrophobicContact CD2-CD1 4.19Å; L109-L159 HydrophobicContact CG-CD1 3.94Å
110D82Confident86.1Confident75 Ų7561.1 Ų61.140%0.40135%0.349SS..Hα-helixtrans-69-41.6173.2-65.2-24.5000110.4A107 F112 S113 A114 Q160A107-D110 HydrophobicContact CB-CB 4.06Å; A107-D110 WeakPolarHBondContact CB-OD2 3.14Å; A107-D110 PolarHBondContact O-N 3.12Å; D110-F112 VanDerWaalsContact C-N 3.33Å; D110-F112 PolarHBondContact O-N 2.88Å; D110-S113 WeakPolarHBondContact O-CB 3.3Å; D110-S113 PolarHBondContact O-N 3.32Å; D110-A114 WeakPolarHBondContact O-CB 3.4Å; D110-A114 PolarHBondContact O-N 3Å; D110-Q160 PolarHBondContact OD1-NE2 2.88Å
111Q86.8Confident86Confident59 Ų5958.7 Ų58.728%0.27634%0.335SS..Hα-helixtrans-61.2-42172.2-176.5-177.56.100111.6D103 S105 A107 A114 L115D103-Q111 PolarHBondContact O-NE2 3.26Å; S105-Q111 WeakPolarHBondContact OG-CB 3.35Å; S105-Q111 PolarHBondContact OG-OE1 3.05Å; A107-Q111 PolarHBondContact O-N 2.86Å; A107-Q111 VanDerWaalsContact O-N 3.08Å; Q111-A114 PolarHBondContact O-N 3.26Å; Q111-L115 VanDerWaalsContact O-CB 3.31Å; Q111-L115 WeakPolarHBondContact O-CB 3.46Å; Q111-L115 PolarHBondContact O-N 2.85Å
112F86.9Confident85.7Confident91 Ų9156.7 Ų56.740%0.39934%0.335SS..Hα-helixtrans-64.2-41.6175.6-178.6-118.4000111.9P108 L109 D110 L115 V116 V152P108-F112 VanDerWaalsContact O-CB 3.29Å; P108-F112 WeakPolarHBondContact O-CB 3.07Å; P108-F112 PolarHBondContact O-N 3.37Å; L109-F112 PolarHBondContact O-N 3.49Å; D110-F112 VanDerWaalsContact C-N 3.33Å; D110-F112 PolarHBondContact O-N 2.88Å; F112-L115 PolarHBondContact O-N 2.89Å; F112-V116 HydrophobicContact CD2-CG2 4.13Å; F112-V116 HydrophobicContact CE1-CG2 4.21Å; F112-V116 HydrophobicContact CE2-CG2 3.73Å; F112-V116 HydrophobicContact CZ-CG2 3.77Å; F112-V116 WeakPolarHBondContact O-CB 3.45Å; F112-V116 WeakPolarHBondContact O-CG2 3.28Å; F112-V116 PolarHBondContact O-N 2.87Å; F112-V152 HydrophobicContact CD1-CG1 3.92Å; F112-V152 HydrophobicContact CD1-CG2 4.08Å; F112-V152 HydrophobicContact CE1-CG1 4.17Å; F112-V152 HydrophobicContact CE1-CG2 3.46Å; F112-V152 VanDerWaalsContact CE1-CG2 3.46Å; F112-V152 HydrophobicContact CZ-CG2 4.2Å
113S85.9Confident85.7Confident30 Ų3060.5 Ų60.521%0.2135%0.351CS..Hα-helixtrans-59.2-47.8174.4-171.60000112.2L109 D110 V116 G117 V152L109-S113 WeakPolarHBondContact O-CB 3.43Å; L109-S113 PolarHBondContact O-N 2.87Å; D110-S113 WeakPolarHBondContact O-CB 3.3Å; D110-S113 PolarHBondContact O-N 3.32Å; S113-V116 PolarHBondContact O-N 3.39Å; S113-G117 PolarHBondContact O-N 2.77Å; S113-V152 VanDerWaalsContact CA-CG1 3.49Å
114A87.4Confident85.6Confident53 Ų5360.4 Ų60.444%0.43835%0.35SS..Hα-helixtrans-62.8-43.3175.100000112D110 Q111 V116 G117 E118D110-A114 WeakPolarHBondContact O-CB 3.4Å; D110-A114 PolarHBondContact O-N 3Å; Q111-A114 PolarHBondContact O-N 3.26Å; A114-V116 PolarHBondContact O-N 3.41Å; A114-G117 PolarHBondContact O-N 2.9Å; A114-E118 VanDerWaalsContact O-CB 3.25Å; A114-E118 WeakPolarHBondContact O-CB 3.31Å; A114-E118 WeakPolarHBondContact O-CG 3.39Å; A114-E118 PolarHBondContact O-N 3.35Å
115L89.4Confident85.5Confident83 Ų8360 Ų6044%0.43535%0.351SS..Iπ-helixtrans-60.4-45.7177.2-17970000111.4Q111 F112 V119 V120Q111-L115 VanDerWaalsContact O-CB 3.31Å; Q111-L115 WeakPolarHBondContact O-CB 3.46Å; Q111-L115 PolarHBondContact O-N 2.85Å; F112-L115 PolarHBondContact O-N 2.89Å; L115-V119 HydrophobicContact CD1-CB 3.96Å; L115-V119 HydrophobicContact CD1-CG1 4.28Å; L115-V119 HydrophobicContact CD1-CG2 4.1Å; L115-V119 WeakPolarHBondContact O-CA 3.18Å; L115-V119 WeakPolarHBondContact O-CB 3.37Å; L115-V119 PolarHBondContact O-N 2.94Å; L115-V119 VanDerWaalsContact O-N 3.07Å; L115-V120 HydrophobicContact CG-CG2 4.26Å; L115-V120 PolarHBondContact O-N 3.11Å
116V88.7Confident85.4Confident4 Ų461.4 Ų61.42%0.02436%0.356CS..Iπ-helixtrans-66.1-45.4178.7170.70000110.9F112 S113 A114 A121 L148 K149 V152F112-V116 HydrophobicContact CD2-CG2 4.13Å; F112-V116 HydrophobicContact CE1-CG2 4.21Å; F112-V116 HydrophobicContact CE2-CG2 3.73Å; F112-V116 HydrophobicContact CZ-CG2 3.77Å; F112-V116 WeakPolarHBondContact O-CB 3.45Å; F112-V116 WeakPolarHBondContact O-CG2 3.28Å; F112-V116 PolarHBondContact O-N 2.87Å; S113-V116 PolarHBondContact O-N 3.39Å; A114-V116 PolarHBondContact O-N 3.41Å; V116-A121 WeakPolarHBondContact O-CB 3.24Å; V116-A121 PolarHBondContact O-N 2.93Å; V116-L148 HydrophobicContact CG1-CD2 4.14Å; V116-L148 HydrophobicContact CG1-CG 3.99Å; V116-L148 HydrophobicContact CG2-CD2 4.36Å; V116-K149 HydrophobicContact CG1-CB 4.48Å; V116-V152 HydrophobicContact CG1-CG2 4.41Å; V116-V152 HydrophobicContact CG2-CG2 4.3Å
117G83.9Confident85.3Confident17 Ų1767 Ų6718%0.17536%0.364CS..Iπ-helixtrans-70.8-44.6-176.600000114.6S113 A114 P122S113-G117 PolarHBondContact O-N 2.77Å; A114-G117 PolarHBondContact O-N 2.9Å; G117-P122 WeakPolarHBondContact O-CD 3.39Å
118E87Confident85.4Confident153 Ų15373.1 Ų73.172%0.71538%0.384SS*.Iπ-helixtrans-99.4-22.7-169.3-59.7-60.6145.800113.5A114 P122A114-E118 VanDerWaalsContact O-CB 3.25Å; A114-E118 WeakPolarHBondContact O-CB 3.31Å; A114-E118 WeakPolarHBondContact O-CG 3.39Å; A114-E118 PolarHBondContact O-N 3.35Å; E118-P122 WeakPolarHBondContact O-CG 3.38Å
119V89.4Confident85.5Confident68 Ų6873.7 Ų73.741%0.41238%0.384SS..Iπ-helixtrans-116.6-61.8-175.5-175.40000111.2L115 P122 L123L115-V119 HydrophobicContact CD1-CB 3.96Å; L115-V119 HydrophobicContact CD1-CG1 4.28Å; L115-V119 HydrophobicContact CD1-CG2 4.1Å; L115-V119 WeakPolarHBondContact O-CA 3.18Å; L115-V119 WeakPolarHBondContact O-CB 3.37Å; L115-V119 PolarHBondContact O-N 2.94Å; L115-V119 VanDerWaalsContact O-N 3.07Å; V119-P122 WeakPolarHBondContact O-CD 3.5Å; V119-L123 HydrophobicContact CG1-CD1 3.66Å; V119-L123 VanDerWaalsContact O-CB 3.26Å; V119-L123 WeakPolarHBondContact O-CB 3.33Å; V119-L123 WeakPolarHBondContact O-CD1 3.46Å; V119-L123 WeakPolarHBondContact O-CG 3.5Å; V119-L123 PolarHBondContact O-N 2.98Å; V119-L123 VanDerWaalsContact O-N 3.08Å
120V88.4Confident85.7Confident42 Ų4270 Ų7026%0.25536%0.364SS..Iπ-helixtrans-65.9-47.3-173.6179.90000111.1L115 L123 L124L115-V120 HydrophobicContact CG-CG2 4.26Å; L115-V120 PolarHBondContact O-N 3.11Å; V120-L123 PolarHBondContact O-N 3.18Å; V120-L124 HydrophobicContact CG1-CD1 3.64Å; V120-L124 HydrophobicContact CG1-CG 4.31Å; V120-L124 WeakPolarHBondContact O-CB 3.43Å; V120-L124 WeakPolarHBondContact O-CG 3.48Å; V120-L124 PolarHBondContact O-N 3.25Å
121A86.5Confident85.7Confident7 Ų773 Ų736%0.05838%0.378CS..Hα-helixtrans-64.7-46.2-177.100000113V116 S125 V145V116-A121 WeakPolarHBondContact O-CB 3.24Å; V116-A121 PolarHBondContact O-N 2.93Å; A121-S125 WeakPolarHBondContact O-CB 3.24Å; A121-S125 PolarHBondContact O-N 2.95Å; A121-S125 PolarHBondContact O-OG 3.45Å; A121-V145 HydrophobicContact CB-CG1 3.65Å
122P86.2Confident85.6Confident67 Ų6777.4 Ų77.444%0.43540%0.404SS..Hα-helixtrans-63.8-40.3174.4-27.238.7000113.1G117 E118 V119 N126G117-P122 WeakPolarHBondContact O-CD 3.39Å; E118-P122 WeakPolarHBondContact O-CG 3.38Å; V119-P122 WeakPolarHBondContact O-CD 3.5Å; P122-N126 VanDerWaalsContact O-CB 3.3Å; P122-N126 WeakPolarHBondContact O-CB 3.22Å; P122-N126 PolarHBondContact O-N 3.27Å
123L88.1Confident85.5Confident97 Ų9778 Ų7851%0.50840%0.404SS..Hα-helixtrans-62.9-46.3179.5-76.1171.4000112.4V119 V120 N129V119-L123 HydrophobicContact CG1-CD1 3.66Å; V119-L123 VanDerWaalsContact O-CB 3.26Å; V119-L123 WeakPolarHBondContact O-CB 3.33Å; V119-L123 WeakPolarHBondContact O-CD1 3.46Å; V119-L123 WeakPolarHBondContact O-CG 3.5Å; V119-L123 PolarHBondContact O-N 2.98Å; V119-L123 VanDerWaalsContact O-N 3.08Å; V120-L123 PolarHBondContact O-N 3.18Å; L123-N129 PolarHBondContact O-ND2 3.36Å
124L86.4Confident85.6Confident68 Ų6879.6 Ų79.636%0.35641%0.414SS..Hα-helixtrans-87.4-11-176.6-63.8180000114V120 H130 I141 V145V120-L124 HydrophobicContact CG1-CD1 3.64Å; V120-L124 HydrophobicContact CG1-CG 4.31Å; V120-L124 WeakPolarHBondContact O-CB 3.43Å; V120-L124 WeakPolarHBondContact O-CG 3.48Å; V120-L124 PolarHBondContact O-N 3.25Å; L124-H130 PolarHBondContact O-CE1 3.01Å; L124-H130 PolarHBondContact O-NE2 2.95Å; L124-I141 HydrophobicContact CB-CG2 4.25Å; L124-V145 HydrophobicContact CB-CG2 3.56Å; L124-V145 HydrophobicContact CD1-CG2 3.81Å; L124-V145 HydrophobicContact CG-CG2 4.35Å
125S82.9Confident85.3Confident35 Ų3583.5 Ų83.525%0.24542%0.422CS..Hα-helixtrans-98.3-11.5175.3-57.10000113A121 R127 K142A121-S125 WeakPolarHBondContact O-CB 3.24Å; A121-S125 PolarHBondContact O-N 2.95Å; A121-S125 PolarHBondContact O-OG 3.45Å; S125-R127 PolarHBondContact O-N 3.2Å; S125-K142 WeakPolarHBondContact O-CE 3.48Å
126N84Confident84.9Confident66 Ų6686.7 Ų86.735%0.35343%0.433SS..  trans-69.8115.6-177-174.6-8.1000111.6P122 K128 N129 H130P122-N126 VanDerWaalsContact O-CB 3.3Å; P122-N126 WeakPolarHBondContact O-CB 3.22Å; P122-N126 PolarHBondContact O-N 3.27Å; N126-K128 PolarHBondContact O-N 3.49Å; N126-K128 VanDerWaalsContact O-N 3.11Å; N126-K128 WeakPolarHBondContact OD1-CB 3.23Å; N126-K128 PolarHBondContact OD1-N 2.87Å; N126-N129 WeakPolarHBondContact O-CB 3.4Å; N126-N129 PolarHBondContact O-N 3.04Å; N126-H130 PolarHBondContact O-CD2 3.03Å
127R77.9Confident84.7Confident198 Ų19888.7 Ų88.775%0.74745%0.445SS*.G310 helixtrans-57.5-29.6179.8-64.5-174.3-173.9-155.42.1113.3S125 N129 H130S125-R127 PolarHBondContact O-N 3.2Å; R127-N129 PolarHBondContact O-N 3.38Å; R127-H130 PolarHBondContact O-N 2.97Å; R127-H130 VanDerWaalsContact O-N 3.11Å
128K83.3Confident84.7Confident163 Ų16388.6 Ų88.671%0.70944%0.442SS*.G310 helixtrans-66.7-24.4177.7-63.4-176.6178.61800112.5N126 H130 I131N126-K128 PolarHBondContact O-N 3.49Å; N126-K128 VanDerWaalsContact O-N 3.11Å; N126-K128 WeakPolarHBondContact OD1-CB 3.23Å; N126-K128 PolarHBondContact OD1-N 2.87Å; K128-H130 VanDerWaalsContact C-N 3.29Å; K128-I131 WeakPolarHBondContact O-CD1 3.5Å; K128-I131 VanDerWaalsContact O-CG1 3.27Å; K128-I131 WeakPolarHBondContact O-CG1 3.43Å
129N83.1Confident84.4Confident84 Ų8486.7 Ų86.745%0.44943%0.433SS..G310 helixtrans-83.3-10.1176.8-63.4-13.4000112L123 N126 R127L123-N129 PolarHBondContact O-ND2 3.36Å; N126-N129 WeakPolarHBondContact O-CB 3.4Å; N126-N129 PolarHBondContact O-N 3.04Å; R127-N129 PolarHBondContact O-N 3.38Å
130H85.4Confident84.1Confident10 Ų1087.3 Ų87.35%0.04643%0.434CS..G310 helixtrans-103.212.2-173.9-57.4-174.8000112.7L124 N126 R127 K128 N132 W133 S138L124-H130 PolarHBondContact O-CE1 3.01Å; L124-H130 PolarHBondContact O-NE2 2.95Å; N126-H130 PolarHBondContact O-CD2 3.03Å; R127-H130 PolarHBondContact O-N 2.97Å; R127-H130 VanDerWaalsContact O-N 3.11Å; K128-H130 VanDerWaalsContact C-N 3.29Å; H130-N132 PolarHBondContact O-N 2.93Å; H130-N132 VanDerWaalsContact O-N 3.14Å; H130-W133 HydrophobicContact CB-CB 4.29Å; H130-W133 HydrophobicContact CB-CD2 4.41Å; H130-W133 HydrophobicContact CB-CE3 4.26Å; H130-W133 HydrophobicContact CB-CG 4.45Å; H130-W133 AromaticContact CD2-CE3 3.72Å; H130-W133 AromaticContact CD2-CZ3 3.69Å; H130-W133 AromaticContact CG-CE3 3.83Å; H130-W133 AromaticContact NE2-CZ3 3.66Å; H130-W133 WeakPolarHBondContact O-CB 3.28Å; H130-W133 PolarHBondContact O-N 3.43Å; H130-S138 PolarHBondContact ND1-OG 3Å
131I82Confident83.9Confident137 Ų13787.7 Ų87.770%0.70343%0.434SS*.THydrogen-bonded Turntrans-55.9-36.2-173-67166.3000111.9K128K128-I131 WeakPolarHBondContact O-CD1 3.5Å; K128-I131 VanDerWaalsContact O-CG1 3.27Å; K128-I131 WeakPolarHBondContact O-CG1 3.43Å
132N84.8Confident83.7Confident152 Ų15289.7 Ų89.781%0.81344%0.441SS*.THydrogen-bonded Turntrans-94.43.7-179.4-62.4-19.9000113.3H130H130-N132 PolarHBondContact O-N 2.93Å; H130-N132 VanDerWaalsContact O-N 3.14Å
133W84.8Confident83.5Confident103 Ų10392.7 Ų92.739%0.3945%0.449SS..SBendtrans-97.7139.1-175.3-65.97000110.5H130 V137 I141H130-W133 HydrophobicContact CB-CB 4.29Å; H130-W133 HydrophobicContact CB-CD2 4.41Å; H130-W133 HydrophobicContact CB-CE3 4.26Å; H130-W133 HydrophobicContact CB-CG 4.45Å; H130-W133 AromaticContact CD2-CE3 3.72Å; H130-W133 AromaticContact CD2-CZ3 3.69Å; H130-W133 AromaticContact CG-CE3 3.83Å; H130-W133 AromaticContact NE2-CZ3 3.66Å; H130-W133 WeakPolarHBondContact O-CB 3.28Å; H130-W133 PolarHBondContact O-N 3.43Å; W133-V137 HydrophobicContact CE3-CG1 4.27Å; W133-I141 HydrophobicContact CE3-CG1 4.41Å; W133-I141 HydrophobicContact CH2-CG1 4.42Å; W133-I141 HydrophobicContact CH2-CG2 4.49Å; W133-I141 HydrophobicContact CZ3-CB 4.01Å; W133-I141 HydrophobicContact CZ3-CG1 3.73Å; W133-I141 HydrophobicContact CZ3-CG2 3.95Å
134P88.8Confident83.3Confident65 Ų6593.1 Ų93.142%0.42245%0.448SS..  trans-56.9146.5168.3-21.331.8000111.3F136 V137 S138P134-F136 HydrophobicContact CB-CD1 3.61Å; P134-F136 HydrophobicContact CB-CE1 3.19Å; P134-F136 HydrophobicContact CB-CE2 4.43Å; P134-F136 HydrophobicContact CB-CG 4.38Å; P134-F136 HydrophobicContact CB-CZ 3.66Å; P134-F136 HydrophobicContact CG-CE1 3.96Å; P134-F136 HydrophobicContact CG-CZ 3.99Å; P134-F136 PolarHBondContact O-N 3.09Å; P134-V137 HydrophobicContact CB-CG2 4.14Å; P134-V137 HydrophobicContact CG-CG2 4.11Å; P134-V137 PolarHBondContact O-N 3.04Å; P134-V137 VanDerWaalsContact O-N 3.07Å; P134-S138 PolarHBondContact O-N 3.33Å
135H79.9Confident83.3Confident134 Ų13490.3 Ų90.362%0.6243%0.434SS*.Hα-helixtrans-56-39.3-176.3-175.2-87.2000113S138 Q139H135-S138 WeakPolarHBondContact O-CB 3.41Å; H135-S138 PolarHBondContact O-N 3.2Å; H135-Q139 PolarHBondContact CE1-NE2 3.07Å; H135-Q139 VanDerWaalsContact CE1-NE2 3.33Å; H135-Q139 PolarHBondContact CE1-OE1 3.36Å; H135-Q139 PolarHBondContact ND1-OE1 3.15Å; H135-Q139 PolarHBondContact O-N 2.89Å
136F81.1Confident83.2Confident150 Ų15091.8 Ų91.866%0.65844%0.437SS*.Hα-helixtrans-64.7-41.1178.464.6-93.6000112.3P134 Q139 D140P134-F136 HydrophobicContact CB-CD1 3.61Å; P134-F136 HydrophobicContact CB-CE1 3.19Å; P134-F136 HydrophobicContact CB-CE2 4.43Å; P134-F136 HydrophobicContact CB-CG 4.38Å; P134-F136 HydrophobicContact CB-CZ 3.66Å; P134-F136 HydrophobicContact CG-CE1 3.96Å; P134-F136 HydrophobicContact CG-CZ 3.99Å; P134-F136 PolarHBondContact O-N 3.09Å; F136-Q139 PolarHBondContact O-N 2.86Å; F136-D140 VanDerWaalsContact O-CB 3.3Å; F136-D140 WeakPolarHBondContact O-CB 3.16Å; F136-D140 PolarHBondContact O-N 3.28Å
137V85.7Confident83.2Confident46 Ų4692.2 Ų92.228%0.27945%0.445SS..Hα-helixtrans-65.3-42.2175.9-177.30000110.5W133 P134 Q139 D140 I141W133-V137 HydrophobicContact CE3-CG1 4.27Å; P134-V137 HydrophobicContact CB-CG2 4.14Å; P134-V137 HydrophobicContact CG-CG2 4.11Å; P134-V137 PolarHBondContact O-N 3.04Å; P134-V137 VanDerWaalsContact O-N 3.07Å; V137-Q139 VanDerWaalsContact C-N 3.31Å; V137-Q139 PolarHBondContact O-N 3.39Å; V137-D140 PolarHBondContact O-N 3.22Å; V137-I141 HydrophobicContact CG1-CG1 4.19Å; V137-I141 WeakPolarHBondContact O-CB 3.41Å; V137-I141 VanDerWaalsContact O-CG1 3.3Å; V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 3.14Å
138S83.4Confident83.7Confident15 Ų1586.5 Ų86.511%0.10543%0.429CS..Hα-helixtrans-61.8-37.3177.2176.40000112.7H130 P134 H135 K142H130-S138 PolarHBondContact ND1-OG 3Å; P134-S138 PolarHBondContact O-N 3.33Å; H135-S138 WeakPolarHBondContact O-CB 3.41Å; H135-S138 PolarHBondContact O-N 3.2Å; S138-K142 WeakPolarHBondContact O-CD 3.27Å; S138-K142 VanDerWaalsContact O-CG 3.29Å; S138-K142 WeakPolarHBondContact O-CG 3.16Å; S138-K142 PolarHBondContact O-N 3.41Å
139Q79.6Confident83.7Confident114 Ų11483.3 Ų83.353%0.53342%0.415SS..Hα-helixtrans-73-42.6173.5-77.9-174.8-44.900112.2H135 F136 V137 K142 H143H135-Q139 PolarHBondContact CE1-NE2 3.07Å; H135-Q139 VanDerWaalsContact CE1-NE2 3.33Å; H135-Q139 PolarHBondContact CE1-OE1 3.36Å; H135-Q139 PolarHBondContact ND1-OE1 3.15Å; H135-Q139 PolarHBondContact O-N 2.89Å; F136-Q139 PolarHBondContact O-N 2.86Å; V137-Q139 VanDerWaalsContact C-N 3.31Å; V137-Q139 PolarHBondContact O-N 3.39Å; Q139-K142 WeakPolarHBondContact O-CB 3.43Å; Q139-K142 PolarHBondContact O-N 3Å; Q139-H143 PolarHBondContact O-N 2.95Å
140D83.1Confident83.7Confident81 Ų8181.5 Ų81.543%0.43341%0.408SS..Hα-helixtrans-64.1-44-179.1-171.352.8000112.1F136 V137 K142 H143 H144F136-D140 VanDerWaalsContact O-CB 3.3Å; F136-D140 WeakPolarHBondContact O-CB 3.16Å; F136-D140 PolarHBondContact O-N 3.28Å; V137-D140 PolarHBondContact O-N 3.22Å; D140-K142 VanDerWaalsContact C-N 3.32Å; D140-K142 PolarHBondContact O-N 2.93Å; D140-H143 WeakPolarHBondContact O-CB 3.31Å; D140-H143 PolarHBondContact O-N 3.44Å; D140-H143 VanDerWaalsContact O-N 3.15Å; D140-H144 VanDerWaalsContact CG-CE1 3.49Å; D140-H144 PolarHBondContact O-N 3.31Å; D140-H144 PolarHBondContact O-ND1 2.78Å; D140-H144 IonicContact OD1-CE1 3.33Å; D140-H144 PolarHBondContact OD1-CE1 3.43Å; D140-H144 IonicContact OD1-ND1 3.18Å; D140-H144 PolarHBondContact OD1-ND1 3.3Å; D140-H144 IonicContact OD2-CE1 3.89Å; D140-H144 PolarHBondContact OD2-CE1 2.91Å; D140-H144 VanDerWaalsContact OD2-CE1 3.29Å; D140-H144 IonicContact OD2-ND1 3.07Å; D140-H144 PolarHBondContact OD2-ND1 3.01Å
141I85.9Confident83.7Confident49 Ų4982.5 Ų82.525%0.25142%0.421SS..Hα-helixtrans-61.1-41.2174.7-68.3-69.4000111.1L124 W133 V137 H143 H144 V145L124-I141 HydrophobicContact CB-CG2 4.25Å; W133-I141 HydrophobicContact CE3-CG1 4.41Å; W133-I141 HydrophobicContact CH2-CG1 4.42Å; W133-I141 HydrophobicContact CH2-CG2 4.49Å; W133-I141 HydrophobicContact CZ3-CB 4.01Å; W133-I141 HydrophobicContact CZ3-CG1 3.73Å; W133-I141 HydrophobicContact CZ3-CG2 3.95Å; V137-I141 HydrophobicContact CG1-CG1 4.19Å; V137-I141 WeakPolarHBondContact O-CB 3.41Å; V137-I141 VanDerWaalsContact O-CG1 3.3Å; V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 3.14Å; I141-H143 VanDerWaalsContact C-N 3.31Å; I141-H143 PolarHBondContact O-N 2.88Å; I141-H144 PolarHBondContact O-N 3.4Å; I141-V145 HydrophobicContact CG2-CG2 4.1Å; I141-V145 WeakPolarHBondContact O-CB 3.2Å; I141-V145 WeakPolarHBondContact O-CG2 3.46Å; I141-V145 PolarHBondContact O-N 2.88Å
142K80.7Confident83.9Confident49 Ų4976.4 Ų76.421%0.21339%0.389CS..Hα-helixtrans-62.7-39.5175.7-75.3173.4-174.5172.40112.3S125 S138 Q139 D140 Q146S125-K142 WeakPolarHBondContact O-CE 3.48Å; S138-K142 WeakPolarHBondContact O-CD 3.27Å; S138-K142 VanDerWaalsContact O-CG 3.29Å; S138-K142 WeakPolarHBondContact O-CG 3.16Å; S138-K142 PolarHBondContact O-N 3.41Å; Q139-K142 WeakPolarHBondContact O-CB 3.43Å; Q139-K142 PolarHBondContact O-N 3Å; D140-K142 VanDerWaalsContact C-N 3.32Å; D140-K142 PolarHBondContact O-N 2.93Å; K142-Q146 WeakPolarHBondContact O-CB 3.43Å; K142-Q146 WeakPolarHBondContact O-CG 3.31Å; K142-Q146 PolarHBondContact O-N 2.98Å
143H81.8Confident83.8Confident130 Ų13072.5 Ų72.560%0.60237%0.368SS*.Hα-helixtrans-63.1-48.4175.7-177.4-91.7000111.2Q139 D140 I141 V145 Q146 S147Q139-H143 PolarHBondContact O-N 2.95Å; D140-H143 WeakPolarHBondContact O-CB 3.31Å; D140-H143 PolarHBondContact O-N 3.44Å; D140-H143 VanDerWaalsContact O-N 3.15Å; I141-H143 VanDerWaalsContact C-N 3.31Å; I141-H143 PolarHBondContact O-N 2.88Å; H143-V145 PolarHBondContact O-N 3.22Å; H143-Q146 PolarHBondContact O-N 3.38Å; H143-S147 WeakPolarHBondContact O-CB 3.44Å; H143-S147 PolarHBondContact O-N 3.05Å
144H85.3Confident83.8Confident106 Ų10668.4 Ų68.449%0.49136%0.355SS..Hα-helixtrans-62.4-40.5177.4-74.390.7000113D140 I141 S147 L148D140-H144 VanDerWaalsContact CG-CE1 3.49Å; D140-H144 PolarHBondContact O-N 3.31Å; D140-H144 PolarHBondContact O-ND1 2.78Å; D140-H144 IonicContact OD1-CE1 3.33Å; D140-H144 PolarHBondContact OD1-CE1 3.43Å; D140-H144 IonicContact OD1-ND1 3.18Å; D140-H144 PolarHBondContact OD1-ND1 3.3Å; D140-H144 IonicContact OD2-CE1 3.89Å; D140-H144 PolarHBondContact OD2-CE1 2.91Å; D140-H144 VanDerWaalsContact OD2-CE1 3.29Å; D140-H144 IonicContact OD2-ND1 3.07Å; D140-H144 PolarHBondContact OD2-ND1 3.01Å; I141-H144 PolarHBondContact O-N 3.4Å; H144-S147 PolarHBondContact O-N 2.77Å; H144-L148 WeakPolarHBondContact O-CB 3.41Å; H144-L148 PolarHBondContact O-N 3.3Å
145V86.2Confident83.5Confident9 Ų970.1 Ų70.16%0.05536%0.36CS..Hα-helixtrans-64.1-41.2176.3168.50000111.3A121 L124 I141 H143 L148 K149A121-V145 HydrophobicContact CB-CG1 3.65Å; L124-V145 HydrophobicContact CB-CG2 3.56Å; L124-V145 HydrophobicContact CD1-CG2 3.81Å; L124-V145 HydrophobicContact CG-CG2 4.35Å; I141-V145 HydrophobicContact CG2-CG2 4.1Å; I141-V145 WeakPolarHBondContact O-CB 3.2Å; I141-V145 WeakPolarHBondContact O-CG2 3.46Å; I141-V145 PolarHBondContact O-N 2.88Å; H143-V145 PolarHBondContact O-N 3.22Å; V145-L148 PolarHBondContact O-N 2.72Å; V145-K149 WeakPolarHBondContact O-CB 3.34Å; V145-K149 PolarHBondContact O-N 3.37Å
146Q81.3Confident83.6Confident67 Ų6764.4 Ų64.431%0.31334%0.335SS..Hα-helixtrans-66.9-42.4174.3-73.6-66.2-7.200111.7K142 H143 L148 K149 T150 A169K142-Q146 WeakPolarHBondContact O-CB 3.43Å; K142-Q146 WeakPolarHBondContact O-CG 3.31Å; K142-Q146 PolarHBondContact O-N 2.98Å; H143-Q146 PolarHBondContact O-N 3.38Å; Q146-L148 VanDerWaalsContact C-N 3.3Å; Q146-L148 PolarHBondContact O-N 3.08Å; Q146-K149 PolarHBondContact O-N 2.88Å; Q146-T150 WeakPolarHBondContact O-CB 3.49Å; Q146-T150 PolarHBondContact O-N 3.39Å; Q146-T150 PolarHBondContact O-OG1 3.08Å; Q146-T150 VanDerWaalsContact O-OG1 3.12Å; Q146-A169 HydrophobicContact CB-CB 4.41Å; Q146-A169 HydrophobicContact CG-CB 4.1Å
147S84.1Confident83.6Confident74 Ų7457.2 Ų57.252%0.51730%0.303SS..Hα-helixtrans-58.9-41.7174.1-171.10000111.7H143 H144 G151H143-S147 WeakPolarHBondContact O-CB 3.44Å; H143-S147 PolarHBondContact O-N 3.05Å; H144-S147 PolarHBondContact O-N 2.77Å; S147-G151 PolarHBondContact O-N 3.33Å
148L86.5Confident83.4Confident78 Ų7862.6 Ų62.641%0.40832%0.318SS..Hα-helixtrans-65-47.7175.8-179.665.2000111.2V116 H144 V145 Q146 T150 G151 V152V116-L148 HydrophobicContact CG1-CD2 4.14Å; V116-L148 HydrophobicContact CG1-CG 3.99Å; V116-L148 HydrophobicContact CG2-CD2 4.36Å; H144-L148 WeakPolarHBondContact O-CB 3.41Å; H144-L148 PolarHBondContact O-N 3.3Å; V145-L148 PolarHBondContact O-N 2.72Å; Q146-L148 VanDerWaalsContact C-N 3.3Å; Q146-L148 PolarHBondContact O-N 3.08Å; L148-T150 VanDerWaalsContact C-N 3.32Å; L148-T150 PolarHBondContact O-N 3.44Å; L148-G151 PolarHBondContact O-N 3.47Å; L148-V152 HydrophobicContact CD1-CG2 4.03Å; L148-V152 HydrophobicContact CG-CG2 4.38Å; L148-V152 WeakPolarHBondContact O-CB 3.24Å; L148-V152 VanDerWaalsContact O-CG2 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.29Å
149K83.8Confident83.1Confident96 Ų9667.1 Ų67.142%0.41734%0.341SS..Hα-helixtrans-57.2-46.5178.1-176178.6178.7175.40111.3V116 V145 Q146 L153V116-K149 HydrophobicContact CG1-CB 4.48Å; V145-K149 WeakPolarHBondContact O-CB 3.34Å; V145-K149 PolarHBondContact O-N 3.37Å; Q146-K149 PolarHBondContact O-N 2.88Å; K149-L153 WeakPolarHBondContact O-CB 3.34Å; K149-L153 PolarHBondContact O-N 3.48Å
150T83.8Confident83Confident47 Ų4766.8 Ų66.829%0.28834%0.339SS..Hα-helixtrans-62.4-47.3175.8-670000112Q146 L148 V152 L153 V154 P166Q146-T150 WeakPolarHBondContact O-CB 3.49Å; Q146-T150 PolarHBondContact O-N 3.39Å; Q146-T150 PolarHBondContact O-OG1 3.08Å; Q146-T150 VanDerWaalsContact O-OG1 3.12Å; L148-T150 VanDerWaalsContact C-N 3.32Å; L148-T150 PolarHBondContact O-N 3.44Å; T150-V152 PolarHBondContact O-N 3.5Å; T150-L153 PolarHBondContact O-N 3.04Å; T150-V154 WeakPolarHBondContact O-CG2 3.4Å; T150-V154 PolarHBondContact O-N 2.66Å; T150-P166 HydrophobicContact CG2-CB 3.43Å; T150-P166 VanDerWaalsContact CG2-CB 3.43Å; T150-P166 HydrophobicContact CG2-CG 3.4Å
151G84.8Confident82.9Confident31 Ų3165.1 Ų65.132%0.3234%0.341SS..Hα-helixtrans-60.2-43.7178.500000112.5S147 L148 V154 L155S147-G151 PolarHBondContact O-N 3.33Å; L148-G151 PolarHBondContact O-N 3.47Å; G151-V154 PolarHBondContact O-N 2.73Å; G151-L155 WeakPolarHBondContact O-CB 3.27Å; G151-L155 VanDerWaalsContact O-CG 3.23Å; G151-L155 WeakPolarHBondContact O-CG 3.36Å; G151-L155 PolarHBondContact O-N 2.88Å
152V86.5Confident82.9Confident8 Ų866.9 Ų66.95%0.04835%0.347CS..Hα-helixtrans-68.6-37.4178.91780000112F112 S113 V116 L148 T150 L155 S156F112-V152 HydrophobicContact CD1-CG1 3.92Å; F112-V152 HydrophobicContact CD1-CG2 4.08Å; F112-V152 HydrophobicContact CE1-CG1 4.17Å; F112-V152 HydrophobicContact CE1-CG2 3.46Å; F112-V152 VanDerWaalsContact CE1-CG2 3.46Å; F112-V152 HydrophobicContact CZ-CG2 4.2Å; S113-V152 VanDerWaalsContact CA-CG1 3.49Å; V116-V152 HydrophobicContact CG1-CG2 4.41Å; V116-V152 HydrophobicContact CG2-CG2 4.3Å; L148-V152 HydrophobicContact CD1-CG2 4.03Å; L148-V152 HydrophobicContact CG-CG2 4.38Å; L148-V152 WeakPolarHBondContact O-CB 3.24Å; L148-V152 VanDerWaalsContact O-CG2 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.29Å; T150-V152 PolarHBondContact O-N 3.5Å; V152-L155 PolarHBondContact O-N 2.94Å; V152-S156 VanDerWaalsContact O-CB 3.29Å; V152-S156 WeakPolarHBondContact O-CB 3.44Å; V152-S156 PolarHBondContact O-N 2.84Å
153L82.3Confident83.3Confident71 Ų7165.3 Ų65.337%0.37234%0.342SS..Hα-helixtrans-60.3-50.4173.2-17572.3000111.1K149 T150 L155 S156 G157 L164 P166K149-L153 WeakPolarHBondContact O-CB 3.34Å; K149-L153 PolarHBondContact O-N 3.48Å; T150-L153 PolarHBondContact O-N 3.04Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 3.12Å; L153-S156 PolarHBondContact O-N 3.17Å; L153-G157 PolarHBondContact O-N 3.42Å; L153-L164 HydrophobicContact CD1-CD1 3.82Å; L153-L164 HydrophobicContact CG-CB 4.36Å; L153-L164 HydrophobicContact CG-CD1 3.9Å; L153-P166 HydrophobicContact CD2-CB 4.37Å
154V84.9Confident83.6Confident17 Ų1760.7 Ų60.710%0.10332%0.321CS..Hα-helixtrans-61.5-42.1178.9172.60000111.2T150 G151 G157 R158 P166T150-V154 WeakPolarHBondContact O-CG2 3.4Å; T150-V154 PolarHBondContact O-N 2.66Å; G151-V154 PolarHBondContact O-N 2.73Å; V154-G157 PolarHBondContact O-N 3.34Å; V154-R158 WeakPolarHBondContact O-CG 3.36Å; V154-R158 PolarHBondContact O-N 2.95Å; V154-P166 HydrophobicContact CG2-CG 4.21Å
155L82.8Confident83.7Confident101 Ų10156.3 Ų56.353%0.52930%0.301SS..Hα-helixtrans-63.9-46177-73170.4000112.2G151 V152 L153 G157 R158 L159G151-L155 WeakPolarHBondContact O-CB 3.27Å; G151-L155 VanDerWaalsContact O-CG 3.23Å; G151-L155 WeakPolarHBondContact O-CG 3.36Å; G151-L155 PolarHBondContact O-N 2.88Å; V152-L155 PolarHBondContact O-N 2.94Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 3.12Å; L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 2.8Å; L155-R158 PolarHBondContact O-N 3.45Å; L155-L159 WeakPolarHBondContact O-CD1 3.46Å; L155-L159 VanDerWaalsContact O-CG 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.49Å; L155-L159 VanDerWaalsContact O-N 3.11Å
156S82Confident83.6Confident13 Ų1356.5 Ų56.59%0.09130%0.303CS..Hα-helixtrans-59.3-44.2176.2177.40000111.1V152 L153 L159 Q160V152-S156 VanDerWaalsContact O-CB 3.29Å; V152-S156 WeakPolarHBondContact O-CB 3.44Å; V152-S156 PolarHBondContact O-N 2.84Å; L153-S156 PolarHBondContact O-N 3.17Å; S156-L159 PolarHBondContact O-N 3.07Å; S156-Q160 WeakPolarHBondContact O-CG 3.33Å; S156-Q160 PolarHBondContact O-N 3.48Å
157G81.7Confident83.7Confident0 Ų056 Ų560%030%0.302CS..Hα-helixtrans-56.8-53.6172.900000112.4L153 V154 L155 L159 Q160 G161 K162L153-G157 PolarHBondContact O-N 3.42Å; V154-G157 PolarHBondContact O-N 3.34Å; L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 2.8Å; G157-L159 PolarHBondContact O-N 2.65Å; G157-Q160 CarbonylContact O-C 3.56Å; G157-Q160 WeakPolarHBondContact O-CA 3.25Å; G157-Q160 WeakPolarHBondContact O-CB 3.4Å; G157-Q160 PolarHBondContact O-N 3.38Å; G157-G161 PolarHBondContact O-N 3.3Å; G157-G161 VanDerWaalsContact O-N 3.14Å; G157-K162 CarbonylContact C-O 3.6Å; G157-K162 VanDerWaalsContact CA-O 3.25Å; G157-K162 WeakPolarHBondContact CA-O 3.28Å; G157-K162 PolarHBondContact O-N 3.13Å
158R80.8Confident83.3Confident158 Ų15853.5 Ų53.560%0.59628%0.284SS*.Hα-helixtrans-57.3-36.2-177.8-75.1-179.1-176.1-162.62.6112.8V154 L155 Q160 G161 K162V154-R158 WeakPolarHBondContact O-CG 3.36Å; V154-R158 PolarHBondContact O-N 2.95Å; L155-R158 PolarHBondContact O-N 3.45Å; R158-Q160 VanDerWaalsContact C-N 3.32Å; R158-G161 PolarHBondContact O-N 2.94Å; R158-G161 VanDerWaalsContact O-N 3.15Å; R158-K162 PolarHBondContact N-O 3.46Å
159L77.1Confident82.3Confident111 Ų11152.8 Ų52.858%0.58129%0.289SS*.Hα-helixtrans-69.2-31.7176.6-68.4158.7000112.8L109 L155 S156 G157 G161L109-L159 HydrophobicContact CB-CD1 3.91Å; L109-L159 HydrophobicContact CD1-CD1 3.3Å; L109-L159 HydrophobicContact CD1-CD2 4.18Å; L109-L159 HydrophobicContact CD1-CG 4.36Å; L109-L159 HydrophobicContact CD2-CD1 4.19Å; L109-L159 HydrophobicContact CG-CD1 3.94Å; L155-L159 WeakPolarHBondContact O-CD1 3.46Å; L155-L159 VanDerWaalsContact O-CG 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.49Å; L155-L159 VanDerWaalsContact O-N 3.11Å; S156-L159 PolarHBondContact O-N 3.07Å; G157-L159 PolarHBondContact O-N 2.65Å; L159-G161 PolarHBondContact O-N 2.87Å
160Q77.8Confident81.4Confident106 Ų10650 Ų5050%0.49529%0.287SS..THydrogen-bonded Turntrans-82.93.4173.5-64176.5500112.5D110 S156 G157 R158 K162D110-Q160 PolarHBondContact OD1-NE2 2.88Å; S156-Q160 WeakPolarHBondContact O-CG 3.33Å; S156-Q160 PolarHBondContact O-N 3.48Å; G157-Q160 CarbonylContact O-C 3.56Å; G157-Q160 WeakPolarHBondContact O-CA 3.25Å; G157-Q160 WeakPolarHBondContact O-CB 3.4Å; G157-Q160 PolarHBondContact O-N 3.38Å; R158-Q160 VanDerWaalsContact C-N 3.32Å; Q160-K162 VanDerWaalsContact C-N 3.3Å
161G80.6Confident80.5Confident46 Ų4648.4 Ų48.447%0.47428%0.277SS..THydrogen-bonded Turntrans72.720.2-175.900000114G157 R158 L159G157-G161 PolarHBondContact O-N 3.3Å; G157-G161 VanDerWaalsContact O-N 3.14Å; R158-G161 PolarHBondContact O-N 2.94Å; R158-G161 VanDerWaalsContact O-N 3.15Å; L159-G161 PolarHBondContact O-N 2.87Å
162K86.7Confident79.5Confident87 Ų8754.6 Ų54.638%0.37830%0.297SS..  trans-119.5139.2-177.2-64.4-179.4-179.8-179.20112G157 R158 Q160 D240G157-K162 CarbonylContact C-O 3.6Å; G157-K162 VanDerWaalsContact CA-O 3.25Å; G157-K162 WeakPolarHBondContact CA-O 3.28Å; G157-K162 PolarHBondContact O-N 3.13Å; R158-K162 PolarHBondContact N-O 3.46Å; Q160-K162 VanDerWaalsContact C-N 3.3Å; K162-D240 WeakPolarHBondContact CA-OD1 3.25Å
163T88.8Confident78.3Confident15 Ų1560 Ų609%0.09232%0.32CS..  trans-95.6106.6175.9-57.30000108.4Q206 V210 D240 I244 Q247T163-Q206 HydrophobicContact CG2-CB 4.44Å; T163-V210 HydrophobicContact CG2-CG2 4.01Å; T163-V210 VanDerWaalsContact OG1-CG2 3.24Å; T163-V210 WeakPolarHBondContact OG1-CG2 3.4Å; T163-D240 VanDerWaalsContact CB-OD1 3.3Å; T163-D240 WeakPolarHBondContact CB-OD1 3.41Å; T163-D240 PolarHBondContact N-OD1 3.05Å; T163-D240 PolarHBondContact OG1-OD1 3.12Å; T163-D240 VanDerWaalsContact OG1-OD1 3.12Å; T163-D240 PolarHBondContact OG1-OD2 2.95Å; T163-I244 HydrophobicContact CG2-CD1 4.09Å; T163-I244 HydrophobicContact CG2-CG1 4.36Å; T163-Q247 PolarHBondContact O-NE2 2.84Å
164L87.9Confident77.3Confident34 Ų3456.7 Ų56.718%0.17830%0.303CS..  trans-93.2131.1179.8-62-178.5000110.6L153 P166L153-L164 HydrophobicContact CD1-CD1 3.82Å; L153-L164 HydrophobicContact CG-CB 4.36Å; L153-L164 HydrophobicContact CG-CD1 3.9Å; L164-P166 WeakPolarHBondContact O-CD 3.29Å
165L88Confident76Confident14 Ų1459.1 Ų59.17%0.07331%0.313CS..  trans-98.299179.8-58.8-178.6000109.4L167 W203 I207 I244 Q247 L248L165-L167 PolarHBondContact O-N 3.03Å; L165-W203 HydrophobicContact CB-CD2 4.22Å; L165-W203 HydrophobicContact CB-CG 4.33Å; L165-W203 HydrophobicContact CB-CZ2 4.37Å; L165-W203 HydrophobicContact CD1-CD2 4.41Å; L165-W203 HydrophobicContact CD2-CB 4.14Å; L165-W203 HydrophobicContact CD2-CG 3.94Å; L165-W203 HydrophobicContact CG-CG 4.5Å; L165-I207 HydrophobicContact CD1-CD1 3.99Å; L165-I207 HydrophobicContact CD2-CD1 4Å; L165-I207 HydrophobicContact CD2-CG1 4.22Å; L165-I244 HydrophobicContact CD1-CG2 4.24Å; L165-Q247 HydrophobicContact CD1-CB 4.34Å; L165-L248 HydrophobicContact CD1-CD2 3.55Å; L165-L248 HydrophobicContact CD1-CG 3.78Å
166P84.4Confident74.9Confident13 Ų1359.8 Ų59.88%0.08431%0.313CS..PPolyproline II helixtrans-69.1133.7-177.529.5-36.4000110.6T150 L153 V154 L164 W203T150-P166 HydrophobicContact CG2-CB 3.43Å; T150-P166 VanDerWaalsContact CG2-CB 3.43Å; T150-P166 HydrophobicContact CG2-CG 3.4Å; L153-P166 HydrophobicContact CD2-CB 4.37Å; V154-P166 HydrophobicContact CG2-CG 4.21Å; L164-P166 WeakPolarHBondContact O-CD 3.29Å; P166-W203 WeakPolarHBondContact O-CZ2 3.26Å; P166-W203 PolarHBondContact O-NE1 3.46Å
167L81.8Confident73.9Confident57 Ų5760.9 Ų60.930%0.29832%0.318SS..PPolyproline II helixtrans-75.4141.5172.4-66.4171.1000110.5L165 F171 W203 K252 V253L165-L167 PolarHBondContact O-N 3.03Å; L167-F171 HydrophobicContact CB-CB 4.43Å; L167-F171 HydrophobicContact CB-CG 4.4Å; L167-F171 HydrophobicContact CD1-CD1 4.21Å; L167-F171 HydrophobicContact CD1-CE1 4.49Å; L167-F171 HydrophobicContact CD1-CG 4.33Å; L167-F171 HydrophobicContact CD2-CD2 4.21Å; L167-F171 HydrophobicContact CD2-CE2 4.28Å; L167-W203 HydrophobicContact CD2-CH2 4.06Å; L167-W203 HydrophobicContact CD2-CZ2 4.1Å; L167-K252 HydrophobicContact CD1-CB 4.16Å; L167-K252 HydrophobicContact CD1-CD 3.54Å; L167-K252 HydrophobicContact CD1-CG 4.47Å; L167-V253 HydrophobicContact CD2-CG2 4.29Å
168P76.4Confident72.6Confident21 Ų2163.3 Ų63.314%0.13634%0.338CS..PPolyproline II helixtrans-66.4154.7-178.323.4-30.5000113.1G170 F171 L196 A199P168-G170 PolarHBondContact O-N 3.13Å; P168-F171 WeakPolarHBondContact O-CB 3.37Å; P168-F171 PolarHBondContact O-N 3.09Å; P168-L196 HydrophobicContact CG-CD2 3.64Å; P168-A199 HydrophobicContact CB-CB 4.17Å; P168-A199 HydrophobicContact CG-CB 3.92Å
169A66.1Low71.3Confident62 Ų6262.3 Ų62.351%0.51234%0.344SS..THydrogen-bonded Turntrans-60.7132.2179.300000111.2Q146Q146-A169 HydrophobicContact CB-CB 4.41Å; Q146-A169 HydrophobicContact CG-CB 4.1Å
170G63.3Low70.3Confident37 Ų3763.3 Ų63.338%0.38135%0.346SS..THydrogen-bonded Turntrans86.49.8-177.800000114.9P168 E172 K173P168-G170 PolarHBondContact O-N 3.13Å; G170-E172 PolarHBondContact O-N 2.91Å; G170-E172 VanDerWaalsContact O-N 3.13Å; G170-K173 VanDerWaalsContact O-CB 3.3Å; G170-K173 WeakPolarHBondContact O-CB 3.25Å; G170-K173 PolarHBondContact O-N 3.37Å
171F64.9Low68.9Low15 Ų1561.8 Ų61.87%0.06635%0.351CS..Hα-helixtrans-52.9-29.4172-173.7-86.8000113.6L167 P168 K173 V174 E175 K252 M256L167-F171 HydrophobicContact CB-CB 4.43Å; L167-F171 HydrophobicContact CB-CG 4.4Å; L167-F171 HydrophobicContact CD1-CD1 4.21Å; L167-F171 HydrophobicContact CD1-CE1 4.49Å; L167-F171 HydrophobicContact CD1-CG 4.33Å; L167-F171 HydrophobicContact CD2-CD2 4.21Å; L167-F171 HydrophobicContact CD2-CE2 4.28Å; P168-F171 WeakPolarHBondContact O-CB 3.37Å; P168-F171 PolarHBondContact O-N 3.09Å; F171-K173 PolarHBondContact O-N 3.21Å; F171-K173 VanDerWaalsContact O-N 3.12Å; F171-V174 HydrophobicContact CD2-CB 4.3Å; F171-V174 HydrophobicContact CD2-CG2 4.38Å; F171-V174 HydrophobicContact CE2-CB 4.28Å; F171-V174 HydrophobicContact CE2-CG1 4.18Å; F171-V174 HydrophobicContact CZ-CG1 4.43Å; F171-V174 WeakPolarHBondContact O-CA 3.35Å; F171-V174 VanDerWaalsContact O-CB 3.28Å; F171-V174 WeakPolarHBondContact O-CB 3.48Å; F171-V174 PolarHBondContact O-N 3.41Å; F171-E175 PolarHBondContact O-N 3.12Å; F171-E175 VanDerWaalsContact O-N 3.16Å; F171-K252 HydrophobicContact CD1-CD 4.37Å; F171-K252 HydrophobicContact CE1-CB 3.61Å; F171-K252 HydrophobicContact CE1-CD 3.88Å; F171-K252 HydrophobicContact CE1-CG 3.67Å; F171-K252 HydrophobicContact CE2-CB 4.4Å; F171-K252 HydrophobicContact CZ-CB 3.48Å; F171-K252 VanDerWaalsContact CZ-CB 3.48Å; F171-K252 HydrophobicContact CZ-CG 4.08Å; F171-K252 WeakPolarHBondContact CZ-O 3.27Å; F171-M256 HydrophobicContact CE2-CB 4.2Å
172E64.2Low67.4Low160 Ų16067.1 Ų67.175%0.74837%0.368SS*.Hα-helixtrans-54.5-30.2172.9-65.2169.7-176.100112.7G170 Q176G170-E172 PolarHBondContact O-N 2.91Å; G170-E172 VanDerWaalsContact O-N 3.13Å; E172-Q176 PolarHBondContact O-N 2.91Å
173K62Low65.4Low122 Ų12271.6 Ų71.653%0.5339%0.391SS..Hα-helixtrans-76.1-30.9174.2-61.6179175.7-1760112.5G170 F171 E175 Q176 I177 I192G170-K173 VanDerWaalsContact O-CB 3.3Å; G170-K173 WeakPolarHBondContact O-CB 3.25Å; G170-K173 PolarHBondContact O-N 3.37Å; F171-K173 PolarHBondContact O-N 3.21Å; F171-K173 VanDerWaalsContact O-N 3.12Å; K173-E175 PolarHBondContact O-N 2.68Å; K173-Q176 PolarHBondContact O-N 3.2Å; K173-I177 HydrophobicContact CB-CD1 4.46Å; K173-I177 WeakPolarHBondContact O-CB 3.36Å; K173-I177 WeakPolarHBondContact O-CD1 3.26Å; K173-I177 WeakPolarHBondContact O-CG1 3.12Å; K173-I177 PolarHBondContact O-N 3.2Å; K173-I192 HydrophobicContact CB-CD1 4.03Å; K173-I192 HydrophobicContact CD-CD1 4.33Å
174V60.5Low63.1Low2 Ų276.3 Ų76.31%0.01243%0.425CS..Hα-helixtrans-63.6-37.3172.51780000109.9F171 I177 A178 I192 L196 L259F171-V174 HydrophobicContact CD2-CB 4.3Å; F171-V174 HydrophobicContact CD2-CG2 4.38Å; F171-V174 HydrophobicContact CE2-CB 4.28Å; F171-V174 HydrophobicContact CE2-CG1 4.18Å; F171-V174 HydrophobicContact CZ-CG1 4.43Å; F171-V174 WeakPolarHBondContact O-CA 3.35Å; F171-V174 VanDerWaalsContact O-CB 3.28Å; F171-V174 WeakPolarHBondContact O-CB 3.48Å; F171-V174 PolarHBondContact O-N 3.41Å; V174-I177 PolarHBondContact O-N 2.96Å; V174-A178 WeakPolarHBondContact O-CB 3.33Å; V174-A178 PolarHBondContact O-N 3.42Å; V174-I192 HydrophobicContact CG2-CG2 3.46Å; V174-I192 VanDerWaalsContact CG2-CG2 3.46Å; V174-L196 HydrophobicContact CG2-CD1 4.32Å; V174-L196 HydrophobicContact CG2-CD2 4.45Å; V174-L259 HydrophobicContact CG1-CD2 4.04Å; V174-L259 HydrophobicContact CG2-CD2 4.4Å
175E59.1Low61.1Low68 Ų6877.8 Ų77.832%0.31845%0.447SS..Hα-helixtrans-67.7-34.8175.9-173.1147.2-12700112.8F171 K173 L179 K255F171-E175 PolarHBondContact O-N 3.12Å; F171-E175 VanDerWaalsContact O-N 3.16Å; K173-E175 PolarHBondContact O-N 2.68Å; E175-L179 WeakPolarHBondContact O-CD1 3.06Å; E175-L179 WeakPolarHBondContact O-CG 3.34Å; E175-K255 IonicContact OE1-NZ 3.37Å; E175-K255 PolarHBondContact OE1-NZ 2.88Å
176Q59.5Low59.2Low114 Ų11481.1 Ų81.153%0.53348%0.477SS..Hα-helixtrans-72.7-44.4172-72.9174.8-20.800112.4E172 K173 A178 L179 E180E172-Q176 PolarHBondContact O-N 2.91Å; K173-Q176 PolarHBondContact O-N 3.2Å; Q176-A178 VanDerWaalsContact C-N 3.35Å; Q176-A178 PolarHBondContact O-N 3.46Å; Q176-L179 WeakPolarHBondContact O-CB 3.45Å; Q176-L179 PolarHBondContact O-N 2.93Å; Q176-L179 VanDerWaalsContact O-N 3.08Å; Q176-E180 WeakPolarHBondContact O-CG 3.38Å; Q176-E180 PolarHBondContact O-N 3.33Å
177I59.9Low57.3Low36 Ų3685.5 Ų85.519%0.18552%0.515CS..Hα-helixtrans-64.6-39.4178.6-67.5161.3000110.8K173 V174 L179 E180 A181 I192K173-I177 HydrophobicContact CB-CD1 4.46Å; K173-I177 WeakPolarHBondContact O-CB 3.36Å; K173-I177 WeakPolarHBondContact O-CD1 3.26Å; K173-I177 WeakPolarHBondContact O-CG1 3.12Å; K173-I177 PolarHBondContact O-N 3.2Å; V174-I177 PolarHBondContact O-N 2.96Å; I177-L179 PolarHBondContact O-N 2.95Å; I177-E180 CarbonylContact O-C 3.52Å; I177-E180 PolarHBondContact O-N 3.28Å; I177-A181 VanDerWaalsContact O-CB 3.29Å; I177-A181 WeakPolarHBondContact O-CB 3.49Å; I177-A181 PolarHBondContact O-N 3.43Å; I177-I192 HydrophobicContact CD1-CD1 3.5Å
178A55Low55.8Low51 Ų5186.1 Ų86.142%0.42153%0.528SS..Hα-helixtrans-65.4-21.9175.200000113.4V174 Q176 K255V174-A178 WeakPolarHBondContact O-CB 3.33Å; V174-A178 PolarHBondContact O-N 3.42Å; Q176-A178 VanDerWaalsContact C-N 3.35Å; Q176-A178 PolarHBondContact O-N 3.46Å; A178-K255 HydrophobicContact CB-CD 4.25Å; A178-K255 HydrophobicContact CB-CG 4.4Å
179L54.3Low55.2Low137 Ų13787 Ų8772%0.71753%0.531SS*.Hα-helixtrans-85.1-24.1171.9-70.6163.8000112.3E175 Q176 I177E175-L179 WeakPolarHBondContact O-CD1 3.06Å; E175-L179 WeakPolarHBondContact O-CG 3.34Å; Q176-L179 WeakPolarHBondContact O-CB 3.45Å; Q176-L179 PolarHBondContact O-N 2.93Å; Q176-L179 VanDerWaalsContact O-N 3.08Å; I177-L179 PolarHBondContact O-N 2.95Å
180E54.1Low55.4Low133 Ų13393.8 Ų93.862%0.62154%0.544SS*.Hα-helixtrans-103.5-8.9-174.9-68.5173.8-176.600113.9Q176 I177 D182 Q183Q176-E180 WeakPolarHBondContact O-CG 3.38Å; Q176-E180 PolarHBondContact O-N 3.33Å; I177-E180 CarbonylContact O-C 3.52Å; I177-E180 PolarHBondContact O-N 3.28Å; E180-D182 PolarHBondContact O-N 2.88Å; E180-Q183 PolarHBondContact O-N 3.43Å; E180-Q183 VanDerWaalsContact O-N 3.09Å
181A49.8Very low56Low74 Ų7496 Ų9661%0.61255%0.553SS**THydrogen-bonded Turntrans-63.5-2.7-177.600000114.8I177 Q183I177-A181 VanDerWaalsContact O-CB 3.29Å; I177-A181 WeakPolarHBondContact O-CB 3.49Å; I177-A181 PolarHBondContact O-N 3.43Å; A181-Q183 VanDerWaalsContact C-N 3.34Å
182D49Very low56.5Low157 Ų15796.1 Ų96.184%0.8456%0.555SS**THydrogen-bonded Turntrans-79.7-10.7171.7-129.818.7000112.8E180E180-D182 PolarHBondContact O-N 2.88Å
183Q44.8Very low57.3Low182 Ų18289.5 Ų89.585%0.8552%0.524SS*.THydrogen-bonded Turntrans-141.8-5.9-168-67.9-1738.400121E180 A181E180-Q183 PolarHBondContact O-N 3.43Å; E180-Q183 VanDerWaalsContact O-N 3.09Å; A181-Q183 VanDerWaalsContact C-N 3.34Å
184S40.9Very low58.4Low114 Ų11488.7 Ų88.780%0.79752%0.522SS*.  trans-161.2136.1-179.9171.30000116
185G45.2Very low59.4Low64 Ų6490.9 Ų90.966%0.6654%0.537SS*.  trans-81.2137.3-175.900000117.3A187G185-A187 PolarHBondContact O-N 2.89Å
186A48.6Very low60.6Low85 Ų8587.7 Ų87.770%0.70252%0.523SS*.SBend79.86.6111.300000122.3D189A186-D189 VanDerWaalsContact CA-OD2 3.25Å; A186-D189 WeakPolarHBondContact CA-OD2 3.42Å
187A44.1Very low62Low105 Ų10583.6 Ų83.687%0.86850%0.503SS*.SBendtrans-111-12179.400000116.2G185G185-A187 PolarHBondContact O-N 2.89Å
188A51Low63.3Low70 Ų7085.4 Ų85.458%0.57952%0.519SS*.SBendtrans-101.64.7178.200000114
189D63.8Low64.9Low38 Ų3883.5 Ų83.520%0.20350%0.503CS..  trans-86.6-37-156.7-82.2-42000116.2A186 S191 I192 I193A186-D189 VanDerWaalsContact CA-OD2 3.25Å; A186-D189 WeakPolarHBondContact CA-OD2 3.42Å; D189-S191 PolarHBondContact O-N 2.91Å; D189-I192 PolarHBondContact O-N 3.37Å; D189-I193 HydrophobicContact CB-CD1 3.86Å; D189-I193 WeakPolarHBondContact O-CD1 3.22Å; D189-I193 VanDerWaalsContact O-CG1 3.24Å; D189-I193 WeakPolarHBondContact O-CG1 3.45Å; D189-I193 PolarHBondContact O-N 3.38Å
190R70Confident66.6Low205 Ų20577 Ų7777%0.77447%0.469SS*.Hα-helixtrans-64.7-39.9-167.6-76.3-169.3-177.2-178.81.1115I192 H194R190-I192 VanDerWaalsContact C-N 3.31Å; R190-I192 PolarHBondContact O-N 2.83Å; R190-H194 WeakPolarHBondContact O-CB 3.18Å; R190-H194 PolarHBondContact O-CD2 3.3Å; R190-H194 PolarHBondContact O-N 2.88Å
191S74.6Confident68.3Low84 Ų8474.4 Ų74.459%0.58746%0.459SS*.Hα-helixtrans-70-31.3-179.360.30000112.6D189 S195D189-S191 PolarHBondContact O-N 2.91Å; S191-S195 PolarHBondContact O-N 2.81Å; S191-S195 PolarHBondContact O-OG 3.32Å
192I77.1Confident70.1Confident18 Ų1875.3 Ų75.39%0.09245%0.451CS..Hα-helixtrans-73.6-46.9177.8-64.8175.2000108.7K173 V174 I177 D189 R190 H194 S195 L196K173-I192 HydrophobicContact CB-CD1 4.03Å; K173-I192 HydrophobicContact CD-CD1 4.33Å; V174-I192 HydrophobicContact CG2-CG2 3.46Å; V174-I192 VanDerWaalsContact CG2-CG2 3.46Å; I177-I192 HydrophobicContact CD1-CD1 3.5Å; D189-I192 PolarHBondContact O-N 3.37Å; R190-I192 VanDerWaalsContact C-N 3.31Å; R190-I192 PolarHBondContact O-N 2.83Å; I192-H194 PolarHBondContact O-N 3.07Å; I192-S195 WeakPolarHBondContact O-CB 3.47Å; I192-S195 PolarHBondContact O-N 2.7Å; I192-S195 VanDerWaalsContact O-N 3.12Å; I192-L196 HydrophobicContact CG2-CD1 4.11Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 3.23Å
193I80.8Confident72.2Confident20 Ų2067.9 Ų67.910%0.10341%0.411CS..Hα-helixtrans-56.2-50.6175.3-64.9159.3000110.9D189 S195 L196 E197 V263D189-I193 HydrophobicContact CB-CD1 3.86Å; D189-I193 WeakPolarHBondContact O-CD1 3.22Å; D189-I193 VanDerWaalsContact O-CG1 3.24Å; D189-I193 WeakPolarHBondContact O-CG1 3.45Å; D189-I193 PolarHBondContact O-N 3.38Å; I193-S195 VanDerWaalsContact C-N 3.25Å; I193-S195 PolarHBondContact O-N 3.09Å; I193-L196 WeakPolarHBondContact O-CA 3.4Å; I193-L196 WeakPolarHBondContact O-CB 3.34Å; I193-L196 PolarHBondContact O-N 3.02Å; I193-E197 HydrophobicContact CG2-CG 4.16Å; I193-E197 WeakPolarHBondContact O-CG 3.37Å; I193-E197 PolarHBondContact O-N 3.08Å; I193-V263 HydrophobicContact CD1-CB 4.22Å; I193-V263 HydrophobicContact CD1-CG1 3.51Å; I193-V263 HydrophobicContact CD1-CG2 4.07Å; I193-V263 HydrophobicContact CG1-CG1 4.44Å
194H83.5Confident74.4Confident106 Ų10661.6 Ų61.649%0.49139%0.387SS..Hα-helixtrans-60.1-33.9178.1-73.6-43.8000113.7R190 I192 E197 S198R190-H194 WeakPolarHBondContact O-CB 3.18Å; R190-H194 PolarHBondContact O-CD2 3.3Å; R190-H194 PolarHBondContact O-N 2.88Å; I192-H194 PolarHBondContact O-N 3.07Å; H194-E197 IonicContact CE1-OE2 3.21Å; H194-E197 IonicContact ND1-OE2 2.72Å; H194-E197 PolarHBondContact ND1-OE2 3.37Å; H194-E197 VanDerWaalsContact ND1-OE2 3.07Å; H194-S198 WeakPolarHBondContact O-CB 3.25Å; H194-S198 PolarHBondContact O-N 3.23Å; H194-S198 PolarHBondContact O-OG 2.89Å
195S82.5Confident76.8Confident47 Ų4762.2 Ų62.233%0.32938%0.377SS..Hα-helixtrans-69.8-37175.3-57.70000111.8S191 I192 I193 A199S191-S195 PolarHBondContact O-N 2.81Å; S191-S195 PolarHBondContact O-OG 3.32Å; I192-S195 WeakPolarHBondContact O-CB 3.47Å; I192-S195 PolarHBondContact O-N 2.7Å; I192-S195 VanDerWaalsContact O-N 3.12Å; I193-S195 VanDerWaalsContact C-N 3.25Å; I193-S195 PolarHBondContact O-N 3.09Å; S195-A199 WeakPolarHBondContact O-CB 3.41Å; S195-A199 PolarHBondContact O-N 3.25Å
196L85Confident78.9Confident2 Ų259.7 Ų59.71%0.0135%0.348CS..Hα-helixtrans-67.9-45.1174-64.3170.8000111.1P168 V174 I192 I193 S198 A199 V200 M256 L259 M260P168-L196 HydrophobicContact CG-CD2 3.64Å; V174-L196 HydrophobicContact CG2-CD1 4.32Å; V174-L196 HydrophobicContact CG2-CD2 4.45Å; I192-L196 HydrophobicContact CG2-CD1 4.11Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 3.23Å; I193-L196 WeakPolarHBondContact O-CA 3.4Å; I193-L196 WeakPolarHBondContact O-CB 3.34Å; I193-L196 PolarHBondContact O-N 3.02Å; L196-S198 VanDerWaalsContact C-N 3.33Å; L196-S198 PolarHBondContact O-N 2.88Å; L196-A199 WeakPolarHBondContact O-CB 3.31Å; L196-A199 PolarHBondContact O-N 3.47Å; L196-A199 VanDerWaalsContact O-N 3.13Å; L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 2.89Å; L196-M256 HydrophobicContact CB-CE 4.1Å; L196-M256 HydrophobicContact CD1-CG 4.4Å; L196-M256 HydrophobicContact CD2-CB 4.29Å; L196-M256 HydrophobicContact CD2-CE 4.17Å; L196-M256 HydrophobicContact CD2-CG 3.75Å; L196-M256 HydrophobicContact CD2-SD 3.6Å; L196-M256 VanDerWaalsContact CD2-SD 3.6Å; L196-M256 HydrophobicContact CG-CG 4.45Å; L196-L259 HydrophobicContact CD1-CD2 3.84Å; L196-M260 HydrophobicContact CB-SD 4.29Å
197E87.5Confident81Confident28 Ų2855.8 Ų55.813%0.13132%0.315CS..Hα-helixtrans-58.1-45.9175.4-69.1177.3153.800111.2I193 H194 A199 V200 I201 M260 S265 Y267I193-E197 HydrophobicContact CG2-CG 4.16Å; I193-E197 WeakPolarHBondContact O-CG 3.37Å; I193-E197 PolarHBondContact O-N 3.08Å; H194-E197 IonicContact CE1-OE2 3.21Å; H194-E197 IonicContact ND1-OE2 2.72Å; H194-E197 PolarHBondContact ND1-OE2 3.37Å; H194-E197 VanDerWaalsContact ND1-OE2 3.07Å; E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 3.43Å; E197-V200 PolarHBondContact O-N 2.81Å; E197-I201 WeakPolarHBondContact O-CG1 3.47Å; E197-I201 PolarHBondContact O-N 2.9Å; E197-M260 HydrophobicContact CG-CE 4.37Å; E197-S265 PolarHBondContact OE1-OG 2.98Å; E197-Y267 HydrophobicContact CB-CD2 3.7Å; E197-Y267 HydrophobicContact CB-CE2 4.06Å; E197-Y267 HydrophobicContact CB-CG 4.27Å; E197-Y267 HydrophobicContact CG-CD2 3.55Å; E197-Y267 HydrophobicContact CG-CE2 4.21Å; E197-Y267 HydrophobicContact CG-CG 4.27Å
198S87.9Confident83.2Confident74 Ų7456.5 Ų56.552%0.51730%0.3SS..Hα-helixtrans-61.8-38.6176.1-580000112.2H194 L196 I201 E202H194-S198 WeakPolarHBondContact O-CB 3.25Å; H194-S198 PolarHBondContact O-N 3.23Å; H194-S198 PolarHBondContact O-OG 2.89Å; L196-S198 VanDerWaalsContact C-N 3.33Å; L196-S198 PolarHBondContact O-N 2.88Å; S198-I201 PolarHBondContact O-N 3.43Å; S198-E202 PolarHBondContact O-N 2.72Å
199A87.9Confident85.1Confident10 Ų1056.5 Ų56.58%0.08329%0.293CS..Hα-helixtrans-65.8-41.7175.300000112P168 S195 L196 E197 I201 E202 W203P168-A199 HydrophobicContact CB-CB 4.17Å; P168-A199 HydrophobicContact CG-CB 3.92Å; S195-A199 WeakPolarHBondContact O-CB 3.41Å; S195-A199 PolarHBondContact O-N 3.25Å; L196-A199 WeakPolarHBondContact O-CB 3.31Å; L196-A199 PolarHBondContact O-N 3.47Å; L196-A199 VanDerWaalsContact O-N 3.13Å; E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 3.43Å; A199-I201 VanDerWaalsContact C-N 3.33Å; A199-I201 PolarHBondContact O-N 3.5Å; A199-E202 PolarHBondContact O-N 3.02Å; A199-W203 HydrophobicContact CB-CZ2 4.4Å; A199-W203 WeakPolarHBondContact O-CB 3.41Å; A199-W203 VanDerWaalsContact O-CD1 3.27Å; A199-W203 PolarHBondContact O-N 2.81Å
200V90.6Very high86.4Confident1 Ų155 Ų551%0.00629%0.286CS..Hα-helixtrans-61.6-41.8175.5175.90000111.2L196 E197 W203 S204 M256 M260 A270 L271 M274L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 2.89Å; E197-V200 PolarHBondContact O-N 2.81Å; V200-W203 PolarHBondContact O-N 2.59Å; V200-S204 WeakPolarHBondContact O-CB 3.48Å; V200-S204 PolarHBondContact O-N 3.08Å; V200-M256 HydrophobicContact CG2-CE 3.29Å; V200-M260 HydrophobicContact CG2-CE 3.93Å; V200-M260 HydrophobicContact CG2-SD 3.95Å; V200-A270 HydrophobicContact CG1-CB 4.25Å; V200-L271 HydrophobicContact CG1-CB 4.21Å; V200-L271 HydrophobicContact CG2-CB 4.35Å; V200-L271 HydrophobicContact CG2-CD1 4.39Å; V200-M274 HydrophobicContact CG1-CE 4.15Å
201I89.8Confident87.4Confident79 Ų7947.3 Ų47.341%0.40526%0.259SS..Hα-helixtrans-60.1-49.4176.3-64.6165.4000110.3E197 S198 A199 S204 H205 Y267E197-I201 WeakPolarHBondContact O-CG1 3.47Å; E197-I201 PolarHBondContact O-N 2.9Å; S198-I201 PolarHBondContact O-N 3.43Å; A199-I201 VanDerWaalsContact C-N 3.33Å; A199-I201 PolarHBondContact O-N 3.5Å; I201-S204 WeakPolarHBondContact O-CB 3.33Å; I201-S204 PolarHBondContact O-N 3.38Å; I201-S204 PolarHBondContact O-OG 3.33Å; I201-H205 PolarHBondContact O-N 3.38Å; I201-H205 VanDerWaalsContact O-N 3.16Å; I201-Y267 HydrophobicContact CD1-CD1 4.35Å; I201-Y267 HydrophobicContact CD1-CE1 3.59Å; I201-Y267 HydrophobicContact CG1-CD1 3.89Å; I201-Y267 HydrophobicContact CG1-CE1 3.47Å; I201-Y267 VanDerWaalsContact CG1-CE1 3.47Å
202E88.3Confident88.2Confident93 Ų9351 Ų5144%0.43527%0.265SS..Hα-helixtrans-63.3-45.3-179.8-178.157.1-149.400111.9S198 A199 S204 H205 Q206S198-E202 PolarHBondContact O-N 2.72Å; A199-E202 PolarHBondContact O-N 3.02Å; E202-S204 VanDerWaalsContact C-N 3.27Å; E202-S204 PolarHBondContact O-N 2.92Å; E202-H205 PolarHBondContact O-N 3.33Å; E202-Q206 WeakPolarHBondContact O-CG 2.95Å; E202-Q206 PolarHBondContact O-N 3.29Å; E202-Q206 PolarHBondContact OE1-NE2 3.38Å
203W93.1Very high88.7Confident1 Ų154.9 Ų54.90%0.00428%0.281CS..Hα-helixtrans-60.3-39.1175.6-65.2-5000111.5L165 P166 L167 A199 V200 H205 Q206 I207 L248 V253 M256 L271 M274L165-W203 HydrophobicContact CB-CD2 4.22Å; L165-W203 HydrophobicContact CB-CG 4.33Å; L165-W203 HydrophobicContact CB-CZ2 4.37Å; L165-W203 HydrophobicContact CD1-CD2 4.41Å; L165-W203 HydrophobicContact CD2-CB 4.14Å; L165-W203 HydrophobicContact CD2-CG 3.94Å; L165-W203 HydrophobicContact CG-CG 4.5Å; P166-W203 WeakPolarHBondContact O-CZ2 3.26Å; P166-W203 PolarHBondContact O-NE1 3.46Å; L167-W203 HydrophobicContact CD2-CH2 4.06Å; L167-W203 HydrophobicContact CD2-CZ2 4.1Å; A199-W203 HydrophobicContact CB-CZ2 4.4Å; A199-W203 WeakPolarHBondContact O-CB 3.41Å; A199-W203 VanDerWaalsContact O-CD1 3.27Å; A199-W203 PolarHBondContact O-N 2.81Å; V200-W203 PolarHBondContact O-N 2.59Å; W203-H205 VanDerWaalsContact C-N 3.32Å; W203-H205 PolarHBondContact O-N 3.34Å; W203-Q206 PolarHBondContact O-N 3.37Å; W203-I207 WeakPolarHBondContact O-CB 3.34Å; W203-I207 WeakPolarHBondContact O-CG1 3.28Å; W203-I207 PolarHBondContact O-N 3.14Å; W203-L248 HydrophobicContact CE3-CD2 4.29Å; W203-V253 HydrophobicContact CH2-CG2 4.03Å; W203-V253 HydrophobicContact CZ3-CG1 4.31Å; W203-V253 HydrophobicContact CZ3-CG2 4.32Å; W203-M256 HydrophobicContact CH2-CE 4.14Å; W203-M256 HydrophobicContact CH2-SD 3.75Å; W203-M256 HydrophobicContact CZ3-CE 3.89Å; W203-M256 HydrophobicContact CZ3-SD 3.95Å; W203-L271 HydrophobicContact CE3-CD1 4.36Å; W203-L271 HydrophobicContact CZ3-CD1 4.35Å; W203-M274 HydrophobicContact CB-CE 4.15Å; W203-M274 HydrophobicContact CB-SD 3.94Å
204S90.6Very high89Confident50 Ų5057.4 Ų57.435%0.3530%0.295SS..Hα-helixtrans-61.3-41.7177.779.60000111.9V200 I201 E202 H208 M274V200-S204 WeakPolarHBondContact O-CB 3.48Å; V200-S204 PolarHBondContact O-N 3.08Å; I201-S204 WeakPolarHBondContact O-CB 3.33Å; I201-S204 PolarHBondContact O-N 3.38Å; I201-S204 PolarHBondContact O-OG 3.33Å; E202-S204 VanDerWaalsContact C-N 3.27Å; E202-S204 PolarHBondContact O-N 2.92Å; S204-H208 WeakPolarHBondContact O-CB 3.28Å; S204-H208 PolarHBondContact O-N 2.76Å; S204-M274 VanDerWaalsContact CA-CE 3.46Å
205H90.5Very high89.2Confident126 Ų12652.7 Ų52.758%0.58327%0.274SS*.Hα-helixtrans-67.5-43.9178-172.768.1000111.8I201 E202 W203 T209I201-H205 PolarHBondContact O-N 3.38Å; I201-H205 VanDerWaalsContact O-N 3.16Å; E202-H205 PolarHBondContact O-N 3.33Å; W203-H205 VanDerWaalsContact C-N 3.32Å; W203-H205 PolarHBondContact O-N 3.34Å; H205-T209 PolarHBondContact O-N 3.37Å; H205-T209 VanDerWaalsContact O-N 3.09Å; H205-T209 PolarHBondContact O-OG1 3.04Å
206Q89.7Confident89.4Confident11 Ų1151.5 Ų51.55%0.05127%0.265CS..Hα-helixtrans-64.4-48.1178.7-68.2-172.540.600111.8T163 E202 W203 T209 V210T163-Q206 HydrophobicContact CG2-CB 4.44Å; E202-Q206 WeakPolarHBondContact O-CG 2.95Å; E202-Q206 PolarHBondContact O-N 3.29Å; E202-Q206 PolarHBondContact OE1-NE2 3.38Å; W203-Q206 PolarHBondContact O-N 3.37Å; Q206-T209 WeakPolarHBondContact O-CB 3.48Å; Q206-T209 PolarHBondContact O-N 2.95Å; Q206-V210 WeakPolarHBondContact O-CG2 3.38Å; Q206-V210 PolarHBondContact O-N 3.33Å; Q206-V210 VanDerWaalsContact O-N 3.14Å
207I92.3Very high89.5Confident4 Ų457 Ų572%0.02129%0.291CS..Hα-helixtrans-67.1-41.8-179.8-74.3164.7000110.9L165 W203 T209 V210 L211 I244 L248 M274 V278L165-I207 HydrophobicContact CD1-CD1 3.99Å; L165-I207 HydrophobicContact CD2-CD1 4Å; L165-I207 HydrophobicContact CD2-CG1 4.22Å; W203-I207 WeakPolarHBondContact O-CB 3.34Å; W203-I207 WeakPolarHBondContact O-CG1 3.28Å; W203-I207 PolarHBondContact O-N 3.14Å; I207-T209 PolarHBondContact O-N 3.35Å; I207-V210 WeakPolarHBondContact O-CB 3.43Å; I207-V210 PolarHBondContact O-N 2.9Å; I207-L211 HydrophobicContact CG2-CD1 3.76Å; I207-L211 HydrophobicContact CG2-CG 4.06Å; I207-L211 WeakPolarHBondContact O-CG 3.48Å; I207-L211 PolarHBondContact O-N 3.03Å; I207-I244 HydrophobicContact CD1-CG2 3.76Å; I207-I244 HydrophobicContact CG1-CD1 4.49Å; I207-I244 HydrophobicContact CG1-CG2 3.92Å; I207-L248 HydrophobicContact CD1-CD1 4.15Å; I207-M274 HydrophobicContact CB-CG 4.32Å; I207-M274 HydrophobicContact CD1-CG 3.6Å; I207-M274 HydrophobicContact CD1-SD 3.28Å; I207-M274 WeakPolarHBondContact CD1-SD 3.23Å; I207-M274 HydrophobicContact CG1-SD 4.45Å; I207-M274 HydrophobicContact CG2-CG 4.06Å; I207-V278 HydrophobicContact CD1-CG2 4.35Å; I207-V278 HydrophobicContact CG2-CG2 3.54Å
208H91.4Very high89.3Confident119 Ų11957.4 Ų57.455%0.55130%0.299SS*.Hα-helixtrans-58.7-38.5175.4-173.374.6000111.9S204 L211 K212S204-H208 WeakPolarHBondContact O-CB 3.28Å; S204-H208 PolarHBondContact O-N 2.76Å; H208-L211 PolarHBondContact O-N 3.2Å; H208-K212 WeakPolarHBondContact O-CB 3.41Å; H208-K212 PolarHBondContact O-N 2.71Å
209T90.2Very high89Confident71 Ų7155 Ų5544%0.43628%0.281SS..Hα-helixtrans-62.9-41.6175-56.70000111.9H205 Q206 I207H205-T209 PolarHBondContact O-N 3.37Å; H205-T209 VanDerWaalsContact O-N 3.09Å; H205-T209 PolarHBondContact O-OG1 3.04Å; Q206-T209 WeakPolarHBondContact O-CB 3.48Å; Q206-T209 PolarHBondContact O-N 2.95Å; I207-T209 PolarHBondContact O-N 3.35Å
210V90.8Very high88.7Confident7 Ų761.2 Ų61.24%0.04231%0.312CS..Hα-helixtrans-65.3-46.5175.7175.50000111.1T163 Q206 I207 K212 K213 R237 L241 I244T163-V210 HydrophobicContact CG2-CG2 4.01Å; T163-V210 VanDerWaalsContact OG1-CG2 3.24Å; T163-V210 WeakPolarHBondContact OG1-CG2 3.4Å; Q206-V210 WeakPolarHBondContact O-CG2 3.38Å; Q206-V210 PolarHBondContact O-N 3.33Å; Q206-V210 VanDerWaalsContact O-N 3.14Å; I207-V210 WeakPolarHBondContact O-CB 3.43Å; I207-V210 PolarHBondContact O-N 2.9Å; V210-K212 VanDerWaalsContact C-N 3.27Å; V210-K212 PolarHBondContact O-N 3.07Å; V210-K213 PolarHBondContact O-N 2.8Å; V210-R237 PolarHBondContact O-NH1 3.08Å; V210-L241 HydrophobicContact CG1-CD2 4.28Å; V210-I244 HydrophobicContact CB-CD1 4.42Å; V210-I244 HydrophobicContact CG1-CD1 4.09Å; V210-I244 HydrophobicContact CG2-CD1 4.25Å
211L91.3Very high88.2Confident42 Ų4264 Ų6422%0.2234%0.341CS..Hα-helixtrans-62.5-34.5-178.5-69.6176.9000112.3I207 H208 R237 L241 D277 A281I207-L211 HydrophobicContact CG2-CD1 3.76Å; I207-L211 HydrophobicContact CG2-CG 4.06Å; I207-L211 WeakPolarHBondContact O-CG 3.48Å; I207-L211 PolarHBondContact O-N 3.03Å; H208-L211 PolarHBondContact O-N 3.2Å; L211-R237 PolarHBondContact O-NH2 3.1Å; L211-L241 HydrophobicContact CD2-CD2 4.02Å; L211-D277 HydrophobicContact CD1-CB 4.13Å; L211-A281 HydrophobicContact CD2-CB 3.39Å
212K91.1Very high87.8Confident161 Ų16162.9 Ų62.970%0.735%0.349SS*.Hα-helixtrans-74.4-19.7-178.8-168.6176.2178.8-176.50114.8H208 V210 D214H208-K212 WeakPolarHBondContact O-CB 3.41Å; H208-K212 PolarHBondContact O-N 2.71Å; V210-K212 VanDerWaalsContact C-N 3.27Å; V210-K212 PolarHBondContact O-N 3.07Å; K212-D214 PolarHBondContact O-N 2.62Å
213K87.8Confident87.8Confident101 Ų10165.4 Ų65.444%0.43936%0.359SS..  trans-57134.9179.7-68.5-179-178.4172.20111.1V210 F233 R237V210-K213 PolarHBondContact O-N 2.8Å; K213-F233 HydrophobicContact CB-CE2 4.32Å; K213-F233 HydrophobicContact CB-CZ 4.46Å; K213-R237 PolarHBondContact O-NH1 3.46Å
214D87.4Confident87.7Confident72 Ų7270.4 Ų70.439%0.38538%0.382SS..  trans-124.9144.9178.4-170.59.4000111.1K212 S216 E217K212-D214 PolarHBondContact O-N 2.62Å; D214-S216 VanDerWaalsContact CG-OG 3.27Å; D214-S216 PolarHBondContact O-N 3.11Å; D214-S216 PolarHBondContact OD1-N 2.84Å; D214-S216 PolarHBondContact OD2-OG 3.45Å; D214-E217 HydrophobicContact CB-CG 4.46Å; D214-E217 PolarHBondContact N-OE1 3.37Å; D214-E217 WeakPolarHBondContact O-CG 3.48Å
215S87.9Confident87.9Confident8 Ų868.9 Ų68.96%0.05637%0.371CS..THydrogen-bonded Turntrans-70.4-24178.664.80000112.3E217 E230S215-E217 PolarHBondContact O-N 3.41Å; S215-E230 WeakPolarHBondContact CB-OE2 3.27Å; S215-E230 PolarHBondContact OG-OE2 3.47Å
216S86.9Confident88.1Confident21 Ų2164.2 Ų64.215%0.14735%0.351CS..THydrogen-bonded Turntrans-65.5-18.9179.474.60000114.3D214 A218 V219 L220D214-S216 VanDerWaalsContact CG-OG 3.27Å; D214-S216 PolarHBondContact O-N 3.11Å; D214-S216 PolarHBondContact OD1-N 2.84Å; D214-S216 PolarHBondContact OD2-OG 3.45Å; S216-A218 VanDerWaalsContact C-N 3.29Å; S216-A218 PolarHBondContact O-N 3.3Å; S216-V219 PolarHBondContact O-N 2.84Å; S216-V219 VanDerWaalsContact O-N 3.11Å; S216-L220 WeakPolarHBondContact O-CB 3.5Å; S216-L220 WeakPolarHBondContact O-CG 3.31Å; S216-L220 PolarHBondContact O-N 3.49Å; S216-L220 WeakPolarHBondContact OG-CD1 3.35Å
217E87.3Confident88.4Confident119 Ų11963.7 Ų63.756%0.55635%0.349SS*.Hα-helixtrans-56-39.1-174-71177.4-166.600113.3D214 S215 G221D214-E217 HydrophobicContact CB-CG 4.46Å; D214-E217 PolarHBondContact N-OE1 3.37Å; D214-E217 WeakPolarHBondContact O-CG 3.48Å; S215-E217 PolarHBondContact O-N 3.41Å; E217-G221 PolarHBondContact O-N 3.4Å
218A82.6Confident88.4Confident36 Ų3665.2 Ų65.230%0.29836%0.356SS..Hα-helixtrans-68-43179.700000111.8S216 G221 K223 P225S216-A218 VanDerWaalsContact C-N 3.29Å; S216-A218 PolarHBondContact O-N 3.3Å; A218-G221 PolarHBondContact O-N 3.02Å; A218-K223 VanDerWaalsContact O-CB 3.28Å; A218-K223 WeakPolarHBondContact O-CB 3.29Å; A218-K223 PolarHBondContact O-N 3.11Å; A218-K223 VanDerWaalsContact O-N 3.11Å; A218-P225 HydrophobicContact CB-CG 4.18Å
219V80.9Confident88.6Confident22 Ų2261.3 Ų61.313%0.13334%0.344CS..Hα-helixtrans-70.8-43.8179.6-178.10000110.8S216 G221 G222 P225 V339 Q342 E343S216-V219 PolarHBondContact O-N 2.84Å; S216-V219 VanDerWaalsContact O-N 3.11Å; V219-G221 PolarHBondContact O-N 3.22Å; V219-G222 PolarHBondContact O-N 2.85Å; V219-G222 VanDerWaalsContact O-N 3.07Å; V219-P225 HydrophobicContact CG2-CG 3.63Å; V219-V339 HydrophobicContact CG2-CG1 4.32Å; V219-Q342 HydrophobicContact CG1-CB 4.46Å; V219-E343 HydrophobicContact CG2-CG 4.32Å
220L82.9Confident88.8Confident141 Ų14157.9 Ų57.974%0.73832%0.323SS*.Hα-helixtrans-64.4-30.6175-67.8176.9000112.4S216 G222S216-L220 WeakPolarHBondContact O-CB 3.5Å; S216-L220 WeakPolarHBondContact O-CG 3.31Å; S216-L220 PolarHBondContact O-N 3.49Å; S216-L220 WeakPolarHBondContact OG-CD1 3.35Å; L220-G222 PolarHBondContact O-N 2.91Å
221G80.4Confident89Confident60 Ų6058 Ų5862%0.61932%0.323SS*.THydrogen-bonded Turntrans-73.8817300000114.6E217 A218 V219 K223E217-G221 PolarHBondContact O-N 3.4Å; A218-G221 PolarHBondContact O-N 3.02Å; V219-G221 PolarHBondContact O-N 3.22Å; G221-K223 VanDerWaalsContact C-N 3.28Å; G221-K223 PolarHBondContact O-N 3.2Å
222G80.6Confident89.1Confident55 Ų5560.8 Ų60.857%0.56734%0.338SS*.THydrogen-bonded Turntrans75.212.4177.600000114.5V219 L220V219-G222 PolarHBondContact O-N 2.85Å; V219-G222 VanDerWaalsContact O-N 3.07Å; L220-G222 PolarHBondContact O-N 2.91Å
223K88.1Confident89.3Confident147 Ų14755.2 Ų55.264%0.63931%0.314SS*.  trans-81.3163.1172.7-56.3-178.61791770110.1A218 G221 P225A218-K223 VanDerWaalsContact O-CB 3.28Å; A218-K223 WeakPolarHBondContact O-CB 3.29Å; A218-K223 PolarHBondContact O-N 3.11Å; A218-K223 VanDerWaalsContact O-N 3.11Å; G221-K223 VanDerWaalsContact C-N 3.28Å; G221-K223 PolarHBondContact O-N 3.2Å; K223-P225 WeakPolarHBondContact O-CD 3.49Å
224H91Very high89.6Confident105 Ų10550.6 Ų50.649%0.48629%0.294SS..  trans-116.666178.4-56.4-39.5000111.4N346 R417H224-N346 HydrophobicContact CB-CB 4.47Å; H224-R417 PolarHBondContact CE1-NE 2.86Å
225P94.4Very high90Very high19 Ų1950.2 Ų50.212%0.12329%0.291CS..  trans-64.8153.1176.325.5-29.3000111.5A218 V219 K223 A229 E343 N346A218-P225 HydrophobicContact CB-CG 4.18Å; V219-P225 HydrophobicContact CG2-CG 3.63Å; K223-P225 WeakPolarHBondContact O-CD 3.49Å; P225-A229 HydrophobicContact CB-CB 3.58Å; P225-E343 HydrophobicContact CB-CG 4.29Å; P225-E343 HydrophobicContact CG-CG 3.96Å; P225-E343 WeakPolarHBondContact O-CA 3.41Å; P225-N346 VanDerWaalsContact O-CB 3.27Å; P225-N346 WeakPolarHBondContact O-CB 3.49Å; P225-N346 PolarHBondContact O-ND2 3.06Å
226T95.3Very high90.2Very high27 Ų2754.7 Ų54.717%0.16632%0.315CS..  trans-91.6166.3168.861.10000109.9H228 A229 L347 Q350T226-H228 PolarHBondContact O-N 3.07Å; T226-A229 VanDerWaalsContact O-CB 3.3Å; T226-A229 WeakPolarHBondContact O-CB 3.41Å; T226-A229 PolarHBondContact O-N 3.37Å; T226-L347 HydrophobicContact CG2-CB 4.32Å; T226-L347 HydrophobicContact CG2-CD1 4.39Å; T226-Q350 VanDerWaalsContact CG2-OE1 3.3Å
227P95.2Very high90.6Very high0 Ų054.8 Ų54.80%031%0.312CS..THydrogen-bonded Turntrans-57.8-21.1-175-28.538.5000114.7A229 E230 L231 F299 L340 E343 L347P227-A229 PolarHBondContact O-N 3.11Å; P227-E230 PolarHBondContact O-N 3.39Å; P227-L231 WeakPolarHBondContact O-CG 3.43Å; P227-L231 PolarHBondContact O-N 3.15Å; P227-F299 HydrophobicContact CB-CD1 3.75Å; P227-F299 HydrophobicContact CB-CD2 3.65Å; P227-F299 HydrophobicContact CB-CE1 3.58Å; P227-F299 HydrophobicContact CB-CE2 3.47Å; P227-F299 VanDerWaalsContact CB-CE2 3.47Å; P227-F299 HydrophobicContact CB-CG 3.79Å; P227-F299 HydrophobicContact CB-CZ 3.44Å; P227-F299 VanDerWaalsContact CB-CZ 3.44Å; P227-F299 HydrophobicContact CG-CD1 3.71Å; P227-F299 HydrophobicContact CG-CE1 3.44Å; P227-F299 VanDerWaalsContact CG-CE1 3.44Å; P227-F299 HydrophobicContact CG-CE2 4.28Å; P227-F299 HydrophobicContact CG-CG 4.24Å; P227-F299 HydrophobicContact CG-CZ 3.76Å; P227-L340 HydrophobicContact CB-CD1 4.25Å; P227-E343 VanDerWaalsContact CA-OE2 3.27Å; P227-E343 WeakPolarHBondContact CA-OE2 3.47Å; P227-E343 HydrophobicContact CB-CB 4.49Å; P227-E343 WeakPolarHBondContact CD-O 3.46Å; P227-E343 HydrophobicContact CG-CB 4.12Å; P227-L347 HydrophobicContact CG-CB 4.38Å; P227-L347 HydrophobicContact CG-CD2 4.21Å
228H93.9Very high90.9Very high37 Ų3751.9 Ų51.917%0.17130%0.296CS..Hα-helixtrans-58-28171.8-70.7104.6000112.7T226 L232 E303T226-H228 PolarHBondContact O-N 3.07Å; H228-L232 VanDerWaalsContact O-CB 3.27Å; H228-L232 WeakPolarHBondContact O-CB 3.48Å; H228-L232 WeakPolarHBondContact O-CG 3.28Å; H228-L232 PolarHBondContact O-N 3.39Å; H228-E303 VanDerWaalsContact CE1-CD 3.43Å; H228-E303 IonicContact CE1-OE1 2.71Å; H228-E303 PolarHBondContact CE1-OE1 2.84Å; H228-E303 IonicContact CE1-OE2 3.32Å; H228-E303 PolarHBondContact CE1-OE2 2.89Å; H228-E303 IonicContact ND1-OE1 3.83Å; H228-E303 PolarHBondContact ND1-OE1 3.43Å; H228-E303 VanDerWaalsContact ND1-OE1 3.16Å; H228-E303 IonicContact ND1-OE2 3.15Å; H228-E303 PolarHBondContact ND1-OE2 3.25Å; H228-E303 IonicContact NE2-OE2 3.54Å
229A93.9Very high91.5Very high36 Ų3652.2 Ų52.230%0.29830%0.299SS..Hα-helixtrans-67.5-47.9177.800000112P225 T226 P227 L231 L232 F233P225-A229 HydrophobicContact CB-CB 3.58Å; T226-A229 VanDerWaalsContact O-CB 3.3Å; T226-A229 WeakPolarHBondContact O-CB 3.41Å; T226-A229 PolarHBondContact O-N 3.37Å; P227-A229 PolarHBondContact O-N 3.11Å; A229-L231 VanDerWaalsContact C-N 3.34Å; A229-L231 PolarHBondContact O-N 3.14Å; A229-L232 PolarHBondContact O-N 2.93Å; A229-F233 VanDerWaalsContact O-CB 3.28Å; A229-F233 WeakPolarHBondContact O-CB 3.48Å; A229-F233 PolarHBondContact O-N 3.22Å
230E95.1Very high92.1Very high0 Ų051.5 Ų51.50%029%0.294CS..Hα-helixtrans-58.3-45.5173.3179.573.718000111.3S215 P227 F233 W234 Y331 V339 L340 E343S215-E230 WeakPolarHBondContact CB-OE2 3.27Å; S215-E230 PolarHBondContact OG-OE2 3.47Å; P227-E230 PolarHBondContact O-N 3.39Å; E230-F233 PolarHBondContact O-N 3.43Å; E230-W234 PolarHBondContact O-N 3.06Å; E230-W234 VanDerWaalsContact O-N 3.11Å; E230-W234 PolarHBondContact OE1-NE1 2.9Å; E230-Y331 WeakPolarHBondContact CG-OH 3.16Å; E230-Y331 VanDerWaalsContact OE1-CE2 3.25Å; E230-Y331 WeakPolarHBondContact OE1-CE2 3.22Å; E230-Y331 PolarHBondContact OE1-OH 2.99Å; E230-V339 WeakPolarHBondContact OE2-CG1 3.22Å; E230-L340 HydrophobicContact CB-CD1 4.45Å; E230-L340 HydrophobicContact CG-CD1 4.32Å; E230-E343 WeakPolarHBondContact CB-OE2 3.33Å; E230-E343 PolarHBondContact N-OE2 3.41Å; E230-E343 VanDerWaalsContact N-OE2 3.14Å
231L94.8Very high92.7Very high9 Ų944.8 Ų44.85%0.04726%0.259CS..Hα-helixtrans-61.3-48.2178.5-64176.4000112.3P227 A229 F233 W234 N235 L292 Q296 F299P227-L231 WeakPolarHBondContact O-CG 3.43Å; P227-L231 PolarHBondContact O-N 3.15Å; A229-L231 VanDerWaalsContact C-N 3.34Å; A229-L231 PolarHBondContact O-N 3.14Å; L231-F233 VanDerWaalsContact C-N 3.34Å; L231-W234 PolarHBondContact O-N 2.85Å; L231-N235 WeakPolarHBondContact O-CB 3.42Å; L231-N235 PolarHBondContact O-N 3.11Å; L231-N235 PolarHBondContact O-ND2 3.19Å; L231-L292 HydrophobicContact CD2-CB 3.67Å; L231-L292 HydrophobicContact CD2-CD1 4.17Å; L231-L292 HydrophobicContact CD2-CG 4.35Å; L231-Q296 HydrophobicContact CD1-CB 3.79Å; L231-Q296 HydrophobicContact CD1-CG 4.04Å; L231-F299 HydrophobicContact CD1-CD2 4.12Å
232L93.9Very high93.4Very high100 Ų10046.4 Ų46.452%0.52425%0.25SS..Hα-helixtrans-65.8-37.9178.2-74172.4000111.7H228 A229 N235 N236H228-L232 VanDerWaalsContact O-CB 3.27Å; H228-L232 WeakPolarHBondContact O-CB 3.48Å; H228-L232 WeakPolarHBondContact O-CG 3.28Å; H228-L232 PolarHBondContact O-N 3.39Å; A229-L232 PolarHBondContact O-N 2.93Å; L232-N235 PolarHBondContact O-N 2.91Å; L232-N236 VanDerWaalsContact O-CB 3.23Å; L232-N236 WeakPolarHBondContact O-CB 3.27Å; L232-N236 PolarHBondContact O-N 3.44Å; L232-N236 PolarHBondContact O-ND2 3.48Å; L232-N236 VanDerWaalsContact O-ND2 3.1Å
233F94.3Very high94Very high44 Ų4444.9 Ų44.919%0.19323%0.231CC..Hα-helixtrans-57.8-51.5176.3173.3-89.7000110.9K213 A229 E230 L231 N236 R237K213-F233 HydrophobicContact CB-CE2 4.32Å; K213-F233 HydrophobicContact CB-CZ 4.46Å; A229-F233 VanDerWaalsContact O-CB 3.28Å; A229-F233 WeakPolarHBondContact O-CB 3.48Å; A229-F233 PolarHBondContact O-N 3.22Å; E230-F233 PolarHBondContact O-N 3.43Å; L231-F233 VanDerWaalsContact C-N 3.34Å; F233-N236 PolarHBondContact O-N 3.47Å; F233-R237 VanDerWaalsContact O-CB 3.26Å; F233-R237 WeakPolarHBondContact O-CB 3.25Å; F233-R237 PolarHBondContact O-N 3.28Å
234W95.8Very high94.3Very high5 Ų537.9 Ų37.92%0.01920%0.2CC..Hα-helixtrans-67.2-41-178.8-75.8109.3000112.5E230 L231 N236 R237 Y238 E284 A285 I288 C289 L292 Y331E230-W234 PolarHBondContact O-N 3.06Å; E230-W234 VanDerWaalsContact O-N 3.11Å; E230-W234 PolarHBondContact OE1-NE1 2.9Å; L231-W234 PolarHBondContact O-N 2.85Å; W234-N236 PolarHBondContact O-N 3.37Å; W234-R237 PolarHBondContact O-N 3.46Å; W234-Y238 WeakPolarHBondContact O-CB 3.45Å; W234-Y238 PolarHBondContact O-N 2.88Å; W234-E284 HydrophobicContact CZ3-CG 4.32Å; W234-A285 HydrophobicContact CE3-CB 4.28Å; W234-A285 HydrophobicContact CZ3-CB 4.43Å; W234-I288 HydrophobicContact CB-CG2 4.13Å; W234-I288 HydrophobicContact CD2-CB 4.2Å; W234-I288 HydrophobicContact CD2-CD1 4.13Å; W234-I288 HydrophobicContact CD2-CG2 3.5Å; W234-I288 HydrophobicContact CE3-CB 4.17Å; W234-I288 HydrophobicContact CE3-CD1 3.85Å; W234-I288 HydrophobicContact CE3-CG2 3.98Å; W234-I288 HydrophobicContact CG-CG2 3.53Å; W234-I288 HydrophobicContact CH2-CD1 3.35Å; W234-I288 HydrophobicContact CZ2-CD1 3.65Å; W234-I288 HydrophobicContact CZ3-CD1 3.45Å; W234-I288 VanDerWaalsContact CZ3-CD1 3.45Å; W234-C289 PolarHBondContact O-SG 3.31Å; W234-C289 VanDerWaalsContact O-SG 3.37Å; W234-L292 HydrophobicContact CB-CD1 4.41Å; W234-L292 HydrophobicContact CG-CD1 4.18Å; W234-Y331 AromaticContact NE1-CE2 3.88Å
235N94.5Very high94.5Very high63 Ų6335.3 Ų35.334%0.33719%0.189SC..Hα-helixtrans-61.7-44.2175.4-75.6-26000112.2L231 L232 Y238 A239 C289L231-N235 WeakPolarHBondContact O-CB 3.42Å; L231-N235 PolarHBondContact O-N 3.11Å; L231-N235 PolarHBondContact O-ND2 3.19Å; L232-N235 PolarHBondContact O-N 2.91Å; N235-Y238 PolarHBondContact O-N 2.86Å; N235-A239 WeakPolarHBondContact O-CB 3.33Å; N235-A239 PolarHBondContact O-N 3.32Å; N235-C289 PolarHBondContact OD1-SG 2.99Å
236N92.8Very high94.5Very high102 Ų10237.8 Ų37.855%0.54521%0.206SC..Hα-helixtrans-66.8-40.6176.6-70.8-26.9000111.5L232 F233 W234 A239 D240L232-N236 VanDerWaalsContact O-CB 3.23Å; L232-N236 WeakPolarHBondContact O-CB 3.27Å; L232-N236 PolarHBondContact O-N 3.44Å; L232-N236 PolarHBondContact O-ND2 3.48Å; L232-N236 VanDerWaalsContact O-ND2 3.1Å; F233-N236 PolarHBondContact O-N 3.47Å; W234-N236 PolarHBondContact O-N 3.37Å; N236-A239 PolarHBondContact O-N 2.87Å; N236-D240 WeakPolarHBondContact O-CB 3.22Å; N236-D240 PolarHBondContact O-N 3.49Å
237R94.4Very high94.5Very high24 Ų2438.4 Ų38.49%0.09121%0.207CC..Hα-helixtrans-62.6-43.4176.2-175.2177.3-17884.2-5.5111.4V210 L211 K213 F233 W234 L241V210-R237 PolarHBondContact O-NH1 3.08Å; L211-R237 PolarHBondContact O-NH2 3.1Å; K213-R237 PolarHBondContact O-NH1 3.46Å; F233-R237 VanDerWaalsContact O-CB 3.26Å; F233-R237 WeakPolarHBondContact O-CB 3.25Å; F233-R237 PolarHBondContact O-N 3.28Å; W234-R237 PolarHBondContact O-N 3.46Å; R237-L241 HydrophobicContact CG-CD1 3.79Å; R237-L241 HydrophobicContact CG-CG 4.4Å; R237-L241 WeakPolarHBondContact O-CB 3.5Å; R237-L241 VanDerWaalsContact O-CG 3.24Å; R237-L241 WeakPolarHBondContact O-CG 3.32Å; R237-L241 PolarHBondContact O-N 3.21Å
238Y95Very high94.3Very high58 Ų5838.4 Ų38.423%0.22721%0.207CC..Hα-helixtrans-59.7-52174.5174-96.9000111.2W234 N235 D240 L241 E242 L282 A285 Q286W234-Y238 WeakPolarHBondContact O-CB 3.45Å; W234-Y238 PolarHBondContact O-N 2.88Å; N235-Y238 PolarHBondContact O-N 2.86Å; Y238-D240 VanDerWaalsContact C-N 3.33Å; Y238-D240 PolarHBondContact O-N 3.02Å; Y238-L241 PolarHBondContact O-N 2.98Å; Y238-E242 VanDerWaalsContact O-CB 3.31Å; Y238-E242 WeakPolarHBondContact O-CB 3.28Å; Y238-E242 PolarHBondContact O-N 3.04Å; Y238-E242 PolarHBondContact OH-OE1 3.22Å; Y238-L282 HydrophobicContact CD2-CD1 3.78Å; Y238-L282 HydrophobicContact CE2-CD1 3.71Å; Y238-A285 HydrophobicContact CD2-CB 4.37Å; Y238-Q286 HydrophobicContact CD2-CB 3.92Å; Y238-Q286 HydrophobicContact CD2-CG 4.44Å; Y238-Q286 HydrophobicContact CE2-CB 3.67Å; Y238-Q286 HydrophobicContact CE2-CG 3.8Å
239A94.1Very high94.2Very high42 Ų4239.6 Ų39.635%0.34722%0.215SC..Hα-helixtrans-62-38.2-179.200000113N235 N236 C243N235-A239 WeakPolarHBondContact O-CB 3.33Å; N235-A239 PolarHBondContact O-N 3.32Å; N236-A239 PolarHBondContact O-N 2.87Å; A239-C243 WeakPolarHBondContact O-CB 3.41Å; A239-C243 PolarHBondContact O-N 2.95Å; A239-C243 VanDerWaalsContact O-N 3.09Å
240D93.9Very high94.1Very high8 Ų839.7 Ų39.74%0.04321%0.214CC..Hα-helixtrans-67.5-48.8176.1-166.515.5000110.9K162 T163 N236 Y238 E242 C243 I244K162-D240 WeakPolarHBondContact CA-OD1 3.25Å; T163-D240 VanDerWaalsContact CB-OD1 3.3Å; T163-D240 WeakPolarHBondContact CB-OD1 3.41Å; T163-D240 PolarHBondContact N-OD1 3.05Å; T163-D240 PolarHBondContact OG1-OD1 3.12Å; T163-D240 VanDerWaalsContact OG1-OD1 3.12Å; T163-D240 PolarHBondContact OG1-OD2 2.95Å; N236-D240 WeakPolarHBondContact O-CB 3.22Å; N236-D240 PolarHBondContact O-N 3.49Å; Y238-D240 VanDerWaalsContact C-N 3.33Å; Y238-D240 PolarHBondContact O-N 3.02Å; D240-E242 PolarHBondContact O-N 3.2Å; D240-C243 CarbonylContact O-C 3.52Å; D240-C243 WeakPolarHBondContact O-CA 3.36Å; D240-C243 WeakPolarHBondContact O-CB 3.45Å; D240-C243 PolarHBondContact O-N 3.41Å; D240-C243 VanDerWaalsContact O-N 3.13Å; D240-I244 VanDerWaalsContact O-CG1 3.31Å; D240-I244 WeakPolarHBondContact O-CG1 3.14Å; D240-I244 PolarHBondContact O-N 3.21Å
241L95.4Very high93.7Very high0 Ų043.8 Ų43.80%024%0.241CC..Hα-helixtrans-64.4-36.8178.5-71.1171.1000112.8V210 L211 R237 Y238 C243 I244 H245 V278 A281 L282 A285V210-L241 HydrophobicContact CG1-CD2 4.28Å; L211-L241 HydrophobicContact CD2-CD2 4.02Å; R237-L241 HydrophobicContact CG-CD1 3.79Å; R237-L241 HydrophobicContact CG-CG 4.4Å; R237-L241 WeakPolarHBondContact O-CB 3.5Å; R237-L241 VanDerWaalsContact O-CG 3.24Å; R237-L241 WeakPolarHBondContact O-CG 3.32Å; R237-L241 PolarHBondContact O-N 3.21Å; Y238-L241 PolarHBondContact O-N 2.98Å; L241-C243 VanDerWaalsContact C-N 3.31Å; L241-I244 HydrophobicContact CD2-CD1 4.49Å; L241-I244 PolarHBondContact O-N 3.1Å; L241-H245 WeakPolarHBondContact O-CB 3.42Å; L241-H245 PolarHBondContact O-N 3.32Å; L241-V278 HydrophobicContact CD2-CG1 4.48Å; L241-A281 HydrophobicContact CD1-CB 3.76Å; L241-A281 WeakPolarHBondContact CD1-O 3.44Å; L241-A281 HydrophobicContact CD2-CB 4.21Å; L241-L282 HydrophobicContact CB-CB 4.27Å; L241-L282 HydrophobicContact CB-CD1 3.98Å; L241-A285 HydrophobicContact CD1-CB 4.22Å
242E95.4Very high93.3Very high93 Ų9348 Ų4844%0.43526%0.259SS..Hα-helixtrans-63.9-40.1173.7-173.2-179.6-120.500110.6Y238 D240 H245 S246 L282Y238-E242 VanDerWaalsContact O-CB 3.31Å; Y238-E242 WeakPolarHBondContact O-CB 3.28Å; Y238-E242 PolarHBondContact O-N 3.04Å; Y238-E242 PolarHBondContact OH-OE1 3.22Å; D240-E242 PolarHBondContact O-N 3.2Å; E242-H245 PolarHBondContact O-N 3.35Å; E242-S246 WeakPolarHBondContact O-CB 3.41Å; E242-S246 PolarHBondContact O-N 2.96Å; E242-S246 PolarHBondContact O-OG 3.44Å; E242-S246 VanDerWaalsContact O-OG 3.07Å; E242-L282 HydrophobicContact CB-CD1 4.01Å
243C93.8Very high93.1Very high23 Ų2343.4 Ų43.416%0.15524%0.235CC..Hα-helixtrans-64.8-44.4174.1-1720000112A239 D240 L241 S246 Q247A239-C243 WeakPolarHBondContact O-CB 3.41Å; A239-C243 PolarHBondContact O-N 2.95Å; A239-C243 VanDerWaalsContact O-N 3.09Å; D240-C243 CarbonylContact O-C 3.52Å; D240-C243 WeakPolarHBondContact O-CA 3.36Å; D240-C243 WeakPolarHBondContact O-CB 3.45Å; D240-C243 PolarHBondContact O-N 3.41Å; D240-C243 VanDerWaalsContact O-N 3.13Å; L241-C243 VanDerWaalsContact C-N 3.31Å; C243-S246 PolarHBondContact O-OG 2.99Å; C243-Q247 VanDerWaalsContact O-CG 3.27Å; C243-Q247 WeakPolarHBondContact O-CG 3.35Å; C243-Q247 PolarHBondContact O-N 2.93Å; C243-Q247 VanDerWaalsContact O-N 3.13Å; C243-Q247 PolarHBondContact O-NE2 3.32Å; C243-Q247 PolarHBondContact SG-NE2 3.3Å
244I94.1Very high92.8Very high0 Ų046.7 Ų46.70%025%0.249CC..Hα-helixtrans-64.2-45.5176.4-64.6170.2000110.4T163 L165 I207 V210 D240 L241 S246 Q247 L248 V278T163-I244 HydrophobicContact CG2-CD1 4.09Å; T163-I244 HydrophobicContact CG2-CG1 4.36Å; L165-I244 HydrophobicContact CD1-CG2 4.24Å; I207-I244 HydrophobicContact CD1-CG2 3.76Å; I207-I244 HydrophobicContact CG1-CD1 4.49Å; I207-I244 HydrophobicContact CG1-CG2 3.92Å; V210-I244 HydrophobicContact CB-CD1 4.42Å; V210-I244 HydrophobicContact CG1-CD1 4.09Å; V210-I244 HydrophobicContact CG2-CD1 4.25Å; D240-I244 VanDerWaalsContact O-CG1 3.31Å; D240-I244 WeakPolarHBondContact O-CG1 3.14Å; D240-I244 PolarHBondContact O-N 3.21Å; L241-I244 HydrophobicContact CD2-CD1 4.49Å; L241-I244 PolarHBondContact O-N 3.1Å; I244-S246 PolarHBondContact O-N 3.34Å; I244-Q247 WeakPolarHBondContact O-CB 3.46Å; I244-Q247 PolarHBondContact O-N 3.47Å; I244-L248 HydrophobicContact CG2-CD1 3.98Å; I244-L248 HydrophobicContact CG2-CG 4.38Å; I244-L248 WeakPolarHBondContact O-CG 3.46Å; I244-L248 PolarHBondContact O-N 2.74Å; I244-V278 HydrophobicContact CB-CG1 4.39Å; I244-V278 HydrophobicContact CG2-CG1 3.97Å; I244-V278 HydrophobicContact CG2-CG2 3.95Å
245H95.4Very high92.3Very high52 Ų5248.9 Ų48.924%0.24126%0.259CS..Hα-helixtrans-61.5-42.7179.9-177.178.8000112.1L241 E242 L248 N249 V278 L282L241-H245 WeakPolarHBondContact O-CB 3.42Å; L241-H245 PolarHBondContact O-N 3.32Å; E242-H245 PolarHBondContact O-N 3.35Å; H245-L248 PolarHBondContact O-N 3.02Å; H245-N249 PolarHBondContact CE1-ND2 3.37Å; H245-N249 PolarHBondContact ND1-ND2 3.09Å; H245-N249 PolarHBondContact NE2-ND2 2.84Å; H245-N249 VanDerWaalsContact NE2-ND2 3.12Å; H245-N249 WeakPolarHBondContact O-CB 3.44Å; H245-N249 PolarHBondContact O-N 3.5Å; H245-N249 PolarHBondContact O-ND2 3.2Å; H245-V278 HydrophobicContact CB-CG1 4.01Å; H245-L282 HydrophobicContact CB-CD2 3.8Å
246S94.1Very high91.9Very high71 Ų7145.9 Ų45.950%0.49724%0.243SC..Hα-helixtrans-66.6-35.4176.260.70000112.7E242 C243 I244 S250E242-S246 WeakPolarHBondContact O-CB 3.41Å; E242-S246 PolarHBondContact O-N 2.96Å; E242-S246 PolarHBondContact O-OG 3.44Å; E242-S246 VanDerWaalsContact O-OG 3.07Å; C243-S246 PolarHBondContact O-OG 2.99Å; I244-S246 PolarHBondContact O-N 3.34Å; S246-S250 PolarHBondContact O-N 3.41Å
247Q93.7Very high91.6Very high40 Ų4043 Ų4319%0.18723%0.226CC..Hα-helixtrans-64.9-48.1173.3-73173.191.300111.8T163 L165 C243 I244 N249 S250 V253T163-Q247 PolarHBondContact O-NE2 2.84Å; L165-Q247 HydrophobicContact CD1-CB 4.34Å; C243-Q247 VanDerWaalsContact O-CG 3.27Å; C243-Q247 WeakPolarHBondContact O-CG 3.35Å; C243-Q247 PolarHBondContact O-N 2.93Å; C243-Q247 VanDerWaalsContact O-N 3.13Å; C243-Q247 PolarHBondContact O-NE2 3.32Å; C243-Q247 PolarHBondContact SG-NE2 3.3Å; I244-Q247 WeakPolarHBondContact O-CB 3.46Å; I244-Q247 PolarHBondContact O-N 3.47Å; Q247-N249 VanDerWaalsContact C-N 3.27Å; Q247-N249 PolarHBondContact O-N 3.35Å; Q247-S250 VanDerWaalsContact O-CB 3.24Å; Q247-S250 WeakPolarHBondContact O-CB 3.27Å; Q247-S250 PolarHBondContact O-N 3.3Å; Q247-S250 VanDerWaalsContact O-N 3.15Å; Q247-S250 PolarHBondContact O-OG 2.88Å; Q247-V253 WeakPolarHBondContact O-CG2 3.49Å
248L92.5Very high91.2Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-64.8-29.2178.9-71.2176.2000113L165 W203 I207 I244 H245 V253 M274 Q275 V278L165-L248 HydrophobicContact CD1-CD2 3.55Å; L165-L248 HydrophobicContact CD1-CG 3.78Å; W203-L248 HydrophobicContact CE3-CD2 4.29Å; I207-L248 HydrophobicContact CD1-CD1 4.15Å; I244-L248 HydrophobicContact CG2-CD1 3.98Å; I244-L248 HydrophobicContact CG2-CG 4.38Å; I244-L248 WeakPolarHBondContact O-CG 3.46Å; I244-L248 PolarHBondContact O-N 2.74Å; H245-L248 PolarHBondContact O-N 3.02Å; L248-V253 WeakPolarHBondContact O-CB 3.39Å; L248-V253 WeakPolarHBondContact O-CG1 3.36Å; L248-M274 HydrophobicContact CD2-SD 4.46Å; L248-Q275 HydrophobicContact CB-CG 4.23Å; L248-Q275 HydrophobicContact CD1-CG 4.24Å; L248-V278 HydrophobicContact CD1-CB 4.32Å; L248-V278 HydrophobicContact CD1-CG1 4.45Å; L248-V278 HydrophobicContact CD1-CG2 4.06Å
249N90.8Very high90.7Very high61 Ų6143.1 Ų43.133%0.32624%0.24SC..THydrogen-bonded Turntrans-91.23.7176.6-78-69.6000114.4H245 Q247 K254H245-N249 PolarHBondContact CE1-ND2 3.37Å; H245-N249 PolarHBondContact ND1-ND2 3.09Å; H245-N249 PolarHBondContact NE2-ND2 2.84Å; H245-N249 VanDerWaalsContact NE2-ND2 3.12Å; H245-N249 WeakPolarHBondContact O-CB 3.44Å; H245-N249 PolarHBondContact O-N 3.5Å; H245-N249 PolarHBondContact O-ND2 3.2Å; Q247-N249 VanDerWaalsContact C-N 3.27Å; Q247-N249 PolarHBondContact O-N 3.35Å; N249-K254 VanDerWaalsContact O-CE 3.28Å; N249-K254 WeakPolarHBondContact O-CE 3.5Å
250S92.4Very high90.2Very high39 Ų3941.3 Ų41.327%0.27323%0.225SC..SBendtrans-62.8150.1178.570.60000111.4S246 Q247 K252 V253 K254S246-S250 PolarHBondContact O-N 3.41Å; Q247-S250 VanDerWaalsContact O-CB 3.24Å; Q247-S250 WeakPolarHBondContact O-CB 3.27Å; Q247-S250 PolarHBondContact O-N 3.3Å; Q247-S250 VanDerWaalsContact O-N 3.15Å; Q247-S250 PolarHBondContact O-OG 2.88Å; S250-K252 PolarHBondContact O-N 2.99Å; S250-K252 VanDerWaalsContact O-N 3.09Å; S250-V253 PolarHBondContact O-N 3.27Å; S250-V253 WeakPolarHBondContact OG-CG2 3.44Å; S250-V253 PolarHBondContact OG-N 3.47Å; S250-K254 PolarHBondContact O-N 3.27Å
251C87.6Confident89.8Confident85 Ų8546.2 Ų46.257%0.57425%0.247SC*.Hα-helixtrans-53.8-33.9177.5-177.10000112.2K254 K255C251-K254 PolarHBondContact O-N 3.37Å; C251-K255 WeakPolarHBondContact O-CG 3.3Å; C251-K255 PolarHBondContact O-N 2.82Å; C251-K255 VanDerWaalsContact O-N 3.1Å
252K86.4Confident89.3Confident97 Ų9750.1 Ų50.142%0.42228%0.28SS..Hα-helixtrans-63.4-49.9176.2-66.4-172.9-179.7-179.50111.8L167 F171 S250 K254 K255 M256L167-K252 HydrophobicContact CD1-CB 4.16Å; L167-K252 HydrophobicContact CD1-CD 3.54Å; L167-K252 HydrophobicContact CD1-CG 4.47Å; F171-K252 HydrophobicContact CD1-CD 4.37Å; F171-K252 HydrophobicContact CE1-CB 3.61Å; F171-K252 HydrophobicContact CE1-CD 3.88Å; F171-K252 HydrophobicContact CE1-CG 3.67Å; F171-K252 HydrophobicContact CE2-CB 4.4Å; F171-K252 HydrophobicContact CZ-CB 3.48Å; F171-K252 VanDerWaalsContact CZ-CB 3.48Å; F171-K252 HydrophobicContact CZ-CG 4.08Å; F171-K252 WeakPolarHBondContact CZ-O 3.27Å; S250-K252 PolarHBondContact O-N 2.99Å; S250-K252 VanDerWaalsContact O-N 3.09Å; K252-K254 VanDerWaalsContact C-N 3.34Å; K252-K254 PolarHBondContact O-N 3.02Å; K252-K255 PolarHBondContact O-N 3.01Å; K252-M256 PolarHBondContact O-N 2.86Å; K252-M256 VanDerWaalsContact O-N 3.13Å
253V88.9Confident88.7Confident4 Ų448.8 Ų48.82%0.02428%0.278CS..Hα-helixtrans-67.6-35.4179.5178.50000111.4L167 W203 Q247 L248 S250 K255 M256 E257L167-V253 HydrophobicContact CD2-CG2 4.29Å; W203-V253 HydrophobicContact CH2-CG2 4.03Å; W203-V253 HydrophobicContact CZ3-CG1 4.31Å; W203-V253 HydrophobicContact CZ3-CG2 4.32Å; Q247-V253 WeakPolarHBondContact O-CG2 3.49Å; L248-V253 WeakPolarHBondContact O-CB 3.39Å; L248-V253 WeakPolarHBondContact O-CG1 3.36Å; S250-V253 PolarHBondContact O-N 3.27Å; S250-V253 WeakPolarHBondContact OG-CG2 3.44Å; S250-V253 PolarHBondContact OG-N 3.47Å; V253-K255 PolarHBondContact O-N 2.86Å; V253-M256 CarbonylContact O-C 3.54Å; V253-M256 WeakPolarHBondContact O-CB 3.17Å; V253-M256 PolarHBondContact O-N 3.18Å; V253-M256 VanDerWaalsContact O-N 3.14Å; V253-E257 WeakPolarHBondContact O-CB 3.35Å; V253-E257 PolarHBondContact O-N 3.31Å
254K87.8Confident88.2Confident113 Ų11356.1 Ų56.149%0.49131%0.31SS..Hα-helixtrans-62-38.1173.8-68.9-175.8177-177.70113.5N249 S250 C251 K252 E257 A258N249-K254 VanDerWaalsContact O-CE 3.28Å; N249-K254 WeakPolarHBondContact O-CE 3.5Å; S250-K254 PolarHBondContact O-N 3.27Å; C251-K254 PolarHBondContact O-N 3.37Å; K252-K254 VanDerWaalsContact C-N 3.34Å; K252-K254 PolarHBondContact O-N 3.02Å; K254-E257 PolarHBondContact O-N 3.49Å; K254-A258 PolarHBondContact O-N 3.32Å
255K84.8Confident87.8Confident51 Ų5156.6 Ų56.622%0.22231%0.313CS..Hα-helixtrans-66.1-39.6173-70.8176.8-175.9-177.70111.7E175 A178 C251 K252 V253 L259E175-K255 IonicContact OE1-NZ 3.37Å; E175-K255 PolarHBondContact OE1-NZ 2.88Å; A178-K255 HydrophobicContact CB-CD 4.25Å; A178-K255 HydrophobicContact CB-CG 4.4Å; C251-K255 WeakPolarHBondContact O-CG 3.3Å; C251-K255 PolarHBondContact O-N 2.82Å; C251-K255 VanDerWaalsContact O-N 3.1Å; K252-K255 PolarHBondContact O-N 3.01Å; V253-K255 PolarHBondContact O-N 2.86Å; K255-L259 PolarHBondContact O-N 2.73Å; K255-L259 VanDerWaalsContact O-N 3.09Å
256M86.7Confident87.5Confident0 Ų058.7 Ų58.70%033%0.333CS..Hα-helixtrans-62.4-43.3173.6162.6176.4172.800111.5F171 L196 V200 W203 K252 V253 L259 M260F171-M256 HydrophobicContact CE2-CB 4.2Å; L196-M256 HydrophobicContact CB-CE 4.1Å; L196-M256 HydrophobicContact CD1-CG 4.4Å; L196-M256 HydrophobicContact CD2-CB 4.29Å; L196-M256 HydrophobicContact CD2-CE 4.17Å; L196-M256 HydrophobicContact CD2-CG 3.75Å; L196-M256 HydrophobicContact CD2-SD 3.6Å; L196-M256 VanDerWaalsContact CD2-SD 3.6Å; L196-M256 HydrophobicContact CG-CG 4.45Å; V200-M256 HydrophobicContact CG2-CE 3.29Å; W203-M256 HydrophobicContact CH2-CE 4.14Å; W203-M256 HydrophobicContact CH2-SD 3.75Å; W203-M256 HydrophobicContact CZ3-CE 3.89Å; W203-M256 HydrophobicContact CZ3-SD 3.95Å; K252-M256 PolarHBondContact O-N 2.86Å; K252-M256 VanDerWaalsContact O-N 3.13Å; V253-M256 CarbonylContact O-C 3.54Å; V253-M256 WeakPolarHBondContact O-CB 3.17Å; V253-M256 PolarHBondContact O-N 3.18Å; V253-M256 VanDerWaalsContact O-N 3.14Å; M256-L259 PolarHBondContact O-N 2.89Å; M256-M260 HydrophobicContact CE-SD 3.7Å; M256-M260 HydrophobicContact CG-CG 4.48Å; M256-M260 HydrophobicContact CG-SD 4.02Å; M256-M260 WeakPolarHBondContact O-CB 3.17Å; M256-M260 VanDerWaalsContact O-CG 3.29Å; M256-M260 WeakPolarHBondContact O-CG 3.14Å; M256-M260 PolarHBondContact O-N 2.86Å
257E86.6Confident87.2Confident41 Ų4159.3 Ų59.319%0.19233%0.326CS..Hα-helixtrans-60-49.8177-174.8178.1172.400111.5V253 K254 L259 M260 E261 Y268 L271 Q275V253-E257 WeakPolarHBondContact O-CB 3.35Å; V253-E257 PolarHBondContact O-N 3.31Å; K254-E257 PolarHBondContact O-N 3.49Å; E257-L259 VanDerWaalsContact C-N 3.32Å; E257-L259 PolarHBondContact O-N 3.5Å; E257-M260 PolarHBondContact O-N 2.9Å; E257-E261 WeakPolarHBondContact O-CB 3.39Å; E257-E261 PolarHBondContact O-N 3.41Å; E257-Y268 HydrophobicContact CG-CD2 4.43Å; E257-Y268 HydrophobicContact CG-CE2 3.74Å; E257-L271 HydrophobicContact CB-CD2 4.15Å; E257-L271 HydrophobicContact CG-CD2 4.33Å; E257-Q275 PolarHBondContact OE2-NE2 2.9Å; E257-Q275 VanDerWaalsContact OE2-NE2 3.08Å
258A86.2Confident87Confident56 Ų5660 Ų6046%0.46333%0.327SS..Hα-helixtrans-60.3-39.1177.400000112.9K254 A262K254-A258 PolarHBondContact O-N 3.32Å; A258-A262 WeakPolarHBondContact O-CB 3.44Å; A258-A262 PolarHBondContact O-N 3.25Å
259L83.3Confident87Confident29 Ų2963.4 Ų63.415%0.15235%0.349CS..Hα-helixtrans-67.5-42.7175.7-178.765.2000111.6V174 L196 K255 M256 E257 E261 A262 V263V174-L259 HydrophobicContact CG1-CD2 4.04Å; V174-L259 HydrophobicContact CG2-CD2 4.4Å; L196-L259 HydrophobicContact CD1-CD2 3.84Å; K255-L259 PolarHBondContact O-N 2.73Å; K255-L259 VanDerWaalsContact O-N 3.09Å; M256-L259 PolarHBondContact O-N 2.89Å; E257-L259 VanDerWaalsContact C-N 3.32Å; E257-L259 PolarHBondContact O-N 3.5Å; L259-E261 VanDerWaalsContact C-N 3.31Å; L259-E261 PolarHBondContact O-N 3.29Å; L259-A262 PolarHBondContact O-N 3.35Å; L259-V263 HydrophobicContact CD1-CG2 4.24Å; L259-V263 VanDerWaalsContact O-CG2 3.31Å; L259-V263 WeakPolarHBondContact O-CG2 3.26Å; L259-V263 PolarHBondContact O-N 2.89Å; L259-V263 VanDerWaalsContact O-N 3.1Å
260M84.6Confident87.1Confident5 Ų562.4 Ų62.43%0.02535%0.349CS..Hα-helixtrans-67-33178.6-72-176.27700112.4L196 E197 V200 M256 E257 E264 S265 Y268 L271L196-M260 HydrophobicContact CB-SD 4.29Å; E197-M260 HydrophobicContact CG-CE 4.37Å; V200-M260 HydrophobicContact CG2-CE 3.93Å; V200-M260 HydrophobicContact CG2-SD 3.95Å; M256-M260 HydrophobicContact CE-SD 3.7Å; M256-M260 HydrophobicContact CG-CG 4.48Å; M256-M260 HydrophobicContact CG-SD 4.02Å; M256-M260 WeakPolarHBondContact O-CB 3.17Å; M256-M260 VanDerWaalsContact O-CG 3.29Å; M256-M260 WeakPolarHBondContact O-CG 3.14Å; M256-M260 PolarHBondContact O-N 2.86Å; E257-M260 PolarHBondContact O-N 2.9Å; M260-E264 PolarHBondContact O-N 3.49Å; M260-S265 PolarHBondContact O-N 3.14Å; M260-Y268 HydrophobicContact CB-CD2 4.24Å; M260-L271 HydrophobicContact SD-CD2 4.3Å
261E86.1Confident87Confident110 Ų11060.6 Ų60.651%0.51434%0.336SS..Hα-helixtrans-67.6-48.7172.3-170.5175.5-172.200111.2E257 L259 V263 E264 Y268E257-E261 WeakPolarHBondContact O-CB 3.39Å; E257-E261 PolarHBondContact O-N 3.41Å; L259-E261 VanDerWaalsContact C-N 3.31Å; L259-E261 PolarHBondContact O-N 3.29Å; E261-V263 PolarHBondContact O-N 3.05Å; E261-E264 PolarHBondContact O-N 3.47Å; E261-Y268 HydrophobicContact CB-CD2 4.03Å; E261-Y268 HydrophobicContact CB-CE2 3.67Å; E261-Y268 HydrophobicContact CG-CE1 4.42Å; E261-Y268 HydrophobicContact CG-CE2 4.17Å
262A83.3Confident87.2Confident83 Ų8358.9 Ų58.969%0.68632%0.323SS*.Hα-helixtrans-61.2-29.6-179.800000113.4A258 L259A258-A262 WeakPolarHBondContact O-CB 3.44Å; A258-A262 PolarHBondContact O-N 3.25Å; L259-A262 PolarHBondContact O-N 3.35Å
263V83.1Confident87.5Confident64 Ų6457.5 Ų57.539%0.38832%0.32SS..THydrogen-bonded Turntrans-95.55.6177.9-170.70000112.4I193 L259 E261 S265I193-V263 HydrophobicContact CD1-CB 4.22Å; I193-V263 HydrophobicContact CD1-CG1 3.51Å; I193-V263 HydrophobicContact CD1-CG2 4.07Å; I193-V263 HydrophobicContact CG1-CG1 4.44Å; L259-V263 HydrophobicContact CD1-CG2 4.24Å; L259-V263 VanDerWaalsContact O-CG2 3.31Å; L259-V263 WeakPolarHBondContact O-CG2 3.26Å; L259-V263 PolarHBondContact O-N 2.89Å; L259-V263 VanDerWaalsContact O-N 3.1Å; E261-V263 PolarHBondContact O-N 3.05Å; V263-S265 VanDerWaalsContact C-N 3.25Å; V263-S265 PolarHBondContact O-N 2.79Å
264E83.4Confident87.8Confident177 Ų17757.8 Ų57.883%0.82732%0.322SS*.THydrogen-bonded Turntrans50.742.5-179.9-59.4-176.5166.300112.9M260 E261 S266M260-E264 PolarHBondContact O-N 3.49Å; E261-E264 PolarHBondContact O-N 3.47Å; E264-S266 PolarHBondContact O-N 3.14Å
265S85.9Confident88.1Confident10 Ų1053.9 Ų53.97%0.0731%0.305CS..  trans-64.2136.8-177.6174.80000111.6E197 M260 V263 Y267 Y268E197-S265 PolarHBondContact OE1-OG 2.98Å; M260-S265 PolarHBondContact O-N 3.14Å; V263-S265 VanDerWaalsContact C-N 3.25Å; V263-S265 PolarHBondContact O-N 2.79Å; S265-Y267 PolarHBondContact O-N 3.01Å; S265-Y267 PolarHBondContact OG-N 3.37Å; S265-Y268 WeakPolarHBondContact O-CB 3.11Å; S265-Y268 PolarHBondContact O-N 2.9Å
266S88.8Confident88.6Confident96 Ų9658.6 Ų58.667%0.67132%0.322SS*.THydrogen-bonded Turntrans-59.1-19.2174.863.30000114.5E264E264-S266 PolarHBondContact O-N 3.14Å
267Y89.6Confident89Confident85 Ų8561.9 Ų61.933%0.33334%0.339SS..THydrogen-bonded Turntrans-94.1-6.9179-66.4-84.4000113.8E197 I201 S265 A270 L271E197-Y267 HydrophobicContact CB-CD2 3.7Å; E197-Y267 HydrophobicContact CB-CE2 4.06Å; E197-Y267 HydrophobicContact CB-CG 4.27Å; E197-Y267 HydrophobicContact CG-CD2 3.55Å; E197-Y267 HydrophobicContact CG-CE2 4.21Å; E197-Y267 HydrophobicContact CG-CG 4.27Å; I201-Y267 HydrophobicContact CD1-CD1 4.35Å; I201-Y267 HydrophobicContact CD1-CE1 3.59Å; I201-Y267 HydrophobicContact CG1-CD1 3.89Å; I201-Y267 HydrophobicContact CG1-CE1 3.47Å; I201-Y267 VanDerWaalsContact CG1-CE1 3.47Å; S265-Y267 PolarHBondContact O-N 3.01Å; S265-Y267 PolarHBondContact OG-N 3.37Å; Y267-A270 WeakPolarHBondContact O-CB 3.46Å; Y267-A270 PolarHBondContact O-N 2.99Å; Y267-A270 VanDerWaalsContact O-N 3.11Å; Y267-L271 PolarHBondContact O-N 3.1Å
268Y89.1Confident89.4Confident55 Ų5560 Ų6022%0.21633%0.33CS..Hα-helixtrans-56.5-46.5175.5172.3-98.3000112.6E257 M260 E261 S265 A270 L271 V272E257-Y268 HydrophobicContact CG-CD2 4.43Å; E257-Y268 HydrophobicContact CG-CE2 3.74Å; M260-Y268 HydrophobicContact CB-CD2 4.24Å; E261-Y268 HydrophobicContact CB-CD2 4.03Å; E261-Y268 HydrophobicContact CB-CE2 3.67Å; E261-Y268 HydrophobicContact CG-CE1 4.42Å; E261-Y268 HydrophobicContact CG-CE2 4.17Å; S265-Y268 WeakPolarHBondContact O-CB 3.11Å; S265-Y268 PolarHBondContact O-N 2.9Å; Y268-A270 PolarHBondContact O-N 3.14Å; Y268-L271 WeakPolarHBondContact O-CB 3.01Å; Y268-L271 PolarHBondContact O-N 3.42Å; Y268-L271 VanDerWaalsContact O-N 3.13Å; Y268-V272 HydrophobicContact CD1-CG2 4.39Å; Y268-V272 HydrophobicContact CD2-CG2 4.44Å; Y268-V272 HydrophobicContact CE1-CG2 3.91Å; Y268-V272 HydrophobicContact CE2-CG2 3.97Å; Y268-V272 PolarHBondContact O-N 3.33Å; Y268-V272 VanDerWaalsContact O-N 3.12Å
269P92.4Very high89.9Confident70 Ų7060.7 Ų60.746%0.45533%0.326SS..Hα-helixtrans-60.1-32.4175.8-23.734.7000113.5N273P269-N273 VanDerWaalsContact O-CB 3.31Å; P269-N273 WeakPolarHBondContact O-CB 2.88Å; P269-N273 PolarHBondContact O-N 3.08Å; P269-N273 PolarHBondContact O-ND2 2.98Å
270A92.1Very high90.5Very high41 Ų4161.8 Ų61.834%0.33934%0.339SS..Hα-helixtrans-68-39.3177.800000111.7V200 Y267 Y268 M274V200-A270 HydrophobicContact CG1-CB 4.25Å; Y267-A270 WeakPolarHBondContact O-CB 3.46Å; Y267-A270 PolarHBondContact O-N 2.99Å; Y267-A270 VanDerWaalsContact O-N 3.11Å; Y268-A270 PolarHBondContact O-N 3.14Å; A270-M274 VanDerWaalsContact O-CB 3.27Å; A270-M274 WeakPolarHBondContact O-CB 3.04Å; A270-M274 PolarHBondContact O-N 2.84Å
271L90.9Very high91.1Very high0 Ų061.9 Ų61.90%034%0.341CS..Hα-helixtrans-63.9-46.7175.1179.962.8000111.7V200 W203 E257 M260 Y267 Y268 M274 Q275V200-L271 HydrophobicContact CG1-CB 4.21Å; V200-L271 HydrophobicContact CG2-CB 4.35Å; V200-L271 HydrophobicContact CG2-CD1 4.39Å; W203-L271 HydrophobicContact CE3-CD1 4.36Å; W203-L271 HydrophobicContact CZ3-CD1 4.35Å; E257-L271 HydrophobicContact CB-CD2 4.15Å; E257-L271 HydrophobicContact CG-CD2 4.33Å; M260-L271 HydrophobicContact SD-CD2 4.3Å; Y267-L271 PolarHBondContact O-N 3.1Å; Y268-L271 WeakPolarHBondContact O-CB 3.01Å; Y268-L271 PolarHBondContact O-N 3.42Å; Y268-L271 VanDerWaalsContact O-N 3.13Å; L271-M274 WeakPolarHBondContact O-CB 3.35Å; L271-M274 PolarHBondContact O-N 2.72Å; L271-Q275 PolarHBondContact O-N 3.17Å
272V92.1Very high91.6Very high50 Ų5057.4 Ų57.430%0.30332%0.32SS..Hα-helixtrans-63.5-45178.5175.30000111.3Y268 M274 Q275 R276Y268-V272 HydrophobicContact CD1-CG2 4.39Å; Y268-V272 HydrophobicContact CD2-CG2 4.44Å; Y268-V272 HydrophobicContact CE1-CG2 3.91Å; Y268-V272 HydrophobicContact CE2-CG2 3.97Å; Y268-V272 PolarHBondContact O-N 3.33Å; Y268-V272 VanDerWaalsContact O-N 3.12Å; V272-M274 VanDerWaalsContact C-N 3.32Å; V272-M274 PolarHBondContact O-N 3.17Å; V272-Q275 PolarHBondContact O-N 2.84Å; V272-R276 PolarHBondContact O-N 3.13Å
273N92.6Very high92.2Very high67 Ų6758 Ų5836%0.35831%0.309SS..Hα-helixtrans-60.6-42.4176.1-76.7-36.9000111.6P269 Q275 R276 D277P269-N273 VanDerWaalsContact O-CB 3.31Å; P269-N273 WeakPolarHBondContact O-CB 2.88Å; P269-N273 PolarHBondContact O-N 3.08Å; P269-N273 PolarHBondContact O-ND2 2.98Å; N273-Q275 PolarHBondContact O-N 3.4Å; N273-R276 WeakPolarHBondContact O-CB 3.4Å; N273-R276 PolarHBondContact O-N 2.73Å; N273-R276 PolarHBondContact OD1-NH2 2.82Å; N273-D277 WeakPolarHBondContact O-CB 3.38Å; N273-D277 PolarHBondContact O-N 2.87Å
274M94.1Very high92.9Very high11 Ų1156.8 Ų56.85%0.05430%0.299CS..Hα-helixtrans-61.1-44177.1-176.3-167.6-47.100112.4V200 W203 S204 I207 L248 A270 L271 V272 R276 D277 V278V200-M274 HydrophobicContact CG1-CE 4.15Å; W203-M274 HydrophobicContact CB-CE 4.15Å; W203-M274 HydrophobicContact CB-SD 3.94Å; S204-M274 VanDerWaalsContact CA-CE 3.46Å; I207-M274 HydrophobicContact CB-CG 4.32Å; I207-M274 HydrophobicContact CD1-CG 3.6Å; I207-M274 HydrophobicContact CD1-SD 3.28Å; I207-M274 WeakPolarHBondContact CD1-SD 3.23Å; I207-M274 HydrophobicContact CG1-SD 4.45Å; I207-M274 HydrophobicContact CG2-CG 4.06Å; L248-M274 HydrophobicContact CD2-SD 4.46Å; A270-M274 VanDerWaalsContact O-CB 3.27Å; A270-M274 WeakPolarHBondContact O-CB 3.04Å; A270-M274 PolarHBondContact O-N 2.84Å; L271-M274 WeakPolarHBondContact O-CB 3.35Å; L271-M274 PolarHBondContact O-N 2.72Å; V272-M274 VanDerWaalsContact C-N 3.32Å; V272-M274 PolarHBondContact O-N 3.17Å; M274-R276 VanDerWaalsContact C-N 3.34Å; M274-R276 PolarHBondContact O-N 2.91Å; M274-D277 PolarHBondContact O-N 3.09Å; M274-V278 WeakPolarHBondContact O-CB 3.32Å; M274-V278 VanDerWaalsContact O-CG2 3.27Å; M274-V278 WeakPolarHBondContact O-CG2 3.2Å; M274-V278 PolarHBondContact O-N 3.34Å
275Q93.8Very high93.5Very high31 Ų3148.4 Ų48.415%0.14526%0.26CS..Hα-helixtrans-60-44174.6-73.1176-9.700111.9L248 E257 L271 V272 N273 L279L248-Q275 HydrophobicContact CB-CG 4.23Å; L248-Q275 HydrophobicContact CD1-CG 4.24Å; E257-Q275 PolarHBondContact OE2-NE2 2.9Å; E257-Q275 VanDerWaalsContact OE2-NE2 3.08Å; L271-Q275 PolarHBondContact O-N 3.17Å; V272-Q275 PolarHBondContact O-N 2.84Å; N273-Q275 PolarHBondContact O-N 3.4Å; Q275-L279 WeakPolarHBondContact O-CB 3.47Å; Q275-L279 PolarHBondContact O-N 3.41Å
276R95.4Very high94Very high149 Ų14952.5 Ų52.556%0.56228%0.278SS*.Hα-helixtrans-63-46.8177.6-176.4-167.265.8-162.7-8.4111.8V272 N273 M274 V278 L279 A280V272-R276 PolarHBondContact O-N 3.13Å; N273-R276 WeakPolarHBondContact O-CB 3.4Å; N273-R276 PolarHBondContact O-N 2.73Å; N273-R276 PolarHBondContact OD1-NH2 2.82Å; M274-R276 VanDerWaalsContact C-N 3.34Å; M274-R276 PolarHBondContact O-N 2.91Å; R276-V278 VanDerWaalsContact C-N 3.33Å; R276-V278 PolarHBondContact O-N 2.74Å; R276-L279 PolarHBondContact O-N 2.76Å; R276-A280 PolarHBondContact O-N 3.26Å
277D95.8Very high94.4Very high70 Ų7049.2 Ų49.237%0.37425%0.253SS..Hα-helixtrans-66.5-37.4-177.6-63.5-7.9000110.9L211 N273 M274 A281L211-D277 HydrophobicContact CD1-CB 4.13Å; N273-D277 WeakPolarHBondContact O-CB 3.38Å; N273-D277 PolarHBondContact O-N 2.87Å; M274-D277 PolarHBondContact O-N 3.09Å; D277-A281 WeakPolarHBondContact O-CB 3.46Å; D277-A281 PolarHBondContact O-N 2.65Å
278V96.3Very high94.8Very high0 Ų045.2 Ų45.20%024%0.237CC..Hα-helixtrans-65.2-43.8172.4170.10000111.7I207 L241 I244 H245 L248 M274 R276 A281 L282I207-V278 HydrophobicContact CD1-CG2 4.35Å; I207-V278 HydrophobicContact CG2-CG2 3.54Å; L241-V278 HydrophobicContact CD2-CG1 4.48Å; I244-V278 HydrophobicContact CB-CG1 4.39Å; I244-V278 HydrophobicContact CG2-CG1 3.97Å; I244-V278 HydrophobicContact CG2-CG2 3.95Å; H245-V278 HydrophobicContact CB-CG1 4.01Å; L248-V278 HydrophobicContact CD1-CB 4.32Å; L248-V278 HydrophobicContact CD1-CG1 4.45Å; L248-V278 HydrophobicContact CD1-CG2 4.06Å; M274-V278 WeakPolarHBondContact O-CB 3.32Å; M274-V278 VanDerWaalsContact O-CG2 3.27Å; M274-V278 WeakPolarHBondContact O-CG2 3.2Å; M274-V278 PolarHBondContact O-N 3.34Å; R276-V278 VanDerWaalsContact C-N 3.33Å; R276-V278 PolarHBondContact O-N 2.74Å; V278-A281 PolarHBondContact O-N 3.03Å; V278-L282 VanDerWaalsContact O-CB 3.31Å; V278-L282 WeakPolarHBondContact O-CB 3.32Å; V278-L282 PolarHBondContact O-N 3.19Å
279L95.9Very high95.1Very high72 Ų7243.1 Ų43.138%0.37723%0.231SC..Hα-helixtrans-61.5-46.1177.4176.861.7000111.2Q275 R276 A281 L282 E283Q275-L279 WeakPolarHBondContact O-CB 3.47Å; Q275-L279 PolarHBondContact O-N 3.41Å; R276-L279 PolarHBondContact O-N 2.76Å; L279-A281 PolarHBondContact O-N 3.08Å; L279-L282 PolarHBondContact O-N 3.37Å; L279-E283 HydrophobicContact CD1-CG 4.41Å; L279-E283 WeakPolarHBondContact O-CG 3.5Å; L279-E283 PolarHBondContact O-N 3.29Å
280A96.6Very high95.3Very high51 Ų5143.9 Ų43.942%0.42123%0.234SC..Hα-helixtrans-60.9-43.5177.400000112.1R276 L282 E283 E284R276-A280 PolarHBondContact O-N 3.26Å; A280-L282 VanDerWaalsContact C-N 3.33Å; A280-L282 PolarHBondContact O-N 2.79Å; A280-E283 PolarHBondContact O-N 3.1Å; A280-E284 WeakPolarHBondContact O-CB 3.44Å; A280-E284 PolarHBondContact O-N 3.01Å
281A96.2Very high95.5Very high8 Ų845.9 Ų45.97%0.06623%0.233CC..Hα-helixtrans-67.2-33.5176.600000112.7L211 L241 D277 V278 L279 A285L211-A281 HydrophobicContact CD2-CB 3.39Å; L241-A281 HydrophobicContact CD1-CB 3.76Å; L241-A281 WeakPolarHBondContact CD1-O 3.44Å; L241-A281 HydrophobicContact CD2-CB 4.21Å; D277-A281 WeakPolarHBondContact O-CB 3.46Å; D277-A281 PolarHBondContact O-N 2.65Å; V278-A281 PolarHBondContact O-N 3.03Å; L279-A281 PolarHBondContact O-N 3.08Å; A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.84Å
282L96.4Very high95.7Very high16 Ų1646 Ų468%0.08423%0.234CC..Hα-helixtrans-67.7-45.817617960.2000111.1Y238 L241 E242 H245 V278 L279 A280 E284 A285 Q286Y238-L282 HydrophobicContact CD2-CD1 3.78Å; Y238-L282 HydrophobicContact CE2-CD1 3.71Å; L241-L282 HydrophobicContact CB-CB 4.27Å; L241-L282 HydrophobicContact CB-CD1 3.98Å; E242-L282 HydrophobicContact CB-CD1 4.01Å; H245-L282 HydrophobicContact CB-CD2 3.8Å; V278-L282 VanDerWaalsContact O-CB 3.31Å; V278-L282 WeakPolarHBondContact O-CB 3.32Å; V278-L282 PolarHBondContact O-N 3.19Å; L279-L282 PolarHBondContact O-N 3.37Å; A280-L282 VanDerWaalsContact C-N 3.33Å; A280-L282 PolarHBondContact O-N 2.79Å; L282-E284 VanDerWaalsContact C-N 3.3Å; L282-E284 PolarHBondContact O-N 2.83Å; L282-A285 PolarHBondContact O-N 3.4Å; L282-Q286 VanDerWaalsContact O-CB 3.31Å; L282-Q286 WeakPolarHBondContact O-CB 3.41Å; L282-Q286 PolarHBondContact O-N 3.06Å
283E96.9Very high95.8Very high96 Ų9647.4 Ų47.445%0.44924%0.243SC..Hα-helixtrans-59.7-41.3174.6-72.5-179.2178.200111.7L279 A280 D287L279-E283 HydrophobicContact CD1-CG 4.41Å; L279-E283 WeakPolarHBondContact O-CG 3.5Å; L279-E283 PolarHBondContact O-N 3.29Å; A280-E283 PolarHBondContact O-N 3.1Å; E283-D287 PolarHBondContact O-N 3.31Å; E283-D287 VanDerWaalsContact O-N 3.08Å
284E96.2Very high95.9Very high38 Ų3847 Ų4718%0.17824%0.244CC..Hα-helixtrans-59.7-53.1173.1165.7171.4-127.400112W234 A280 L282 Q286 D287 I288 Y330 R336W234-E284 HydrophobicContact CZ3-CG 4.32Å; A280-E284 WeakPolarHBondContact O-CB 3.44Å; A280-E284 PolarHBondContact O-N 3.01Å; L282-E284 VanDerWaalsContact C-N 3.3Å; L282-E284 PolarHBondContact O-N 2.83Å; E284-Q286 VanDerWaalsContact C-N 3.29Å; E284-Q286 PolarHBondContact O-N 3.14Å; E284-D287 PolarHBondContact O-N 3.26Å; E284-I288 HydrophobicContact CG-CD1 3.75Å; E284-I288 VanDerWaalsContact O-CG1 3.3Å; E284-I288 WeakPolarHBondContact O-CG1 3.4Å; E284-I288 PolarHBondContact O-N 2.99Å; E284-I288 VanDerWaalsContact O-N 3.08Å; E284-Y330 HydrophobicContact CB-CD1 3.81Å; E284-Y330 HydrophobicContact CB-CD2 4.26Å; E284-Y330 HydrophobicContact CB-CE1 4.09Å; E284-Y330 HydrophobicContact CB-CE2 4.47Å; E284-Y330 HydrophobicContact CB-CG 3.9Å; E284-Y330 HydrophobicContact CG-CD1 3.98Å; E284-Y330 HydrophobicContact CG-CG 3.9Å; E284-R336 IonicContact OE1-CZ 3.15Å; E284-R336 IonicContact OE1-NH1 2.81Å; E284-R336 PolarHBondContact OE1-NH1 3.05Å; E284-R336 IonicContact OE1-NH2 3.46Å; E284-R336 PolarHBondContact OE1-NH2 3.37Å; E284-R336 IonicContact OE2-NH2 3.29Å
285A96.4Very high95.9Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-62.5-38.4-178.600000111.5W234 Y238 L241 A281 L282 I288 C289W234-A285 HydrophobicContact CE3-CB 4.28Å; W234-A285 HydrophobicContact CZ3-CB 4.43Å; Y238-A285 HydrophobicContact CD2-CB 4.37Å; L241-A285 HydrophobicContact CD1-CB 4.22Å; A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.84Å; L282-A285 PolarHBondContact O-N 3.4Å; A285-I288 PolarHBondContact O-N 3.47Å; A285-C289 WeakPolarHBondContact O-CB 3.09Å; A285-C289 PolarHBondContact O-N 3.17Å; A285-C289 PolarHBondContact O-SG 2.76Å; A285-C289 VanDerWaalsContact O-SG 3.35Å
286Q97.3Very high96Very high97 Ų9748.3 Ų48.345%0.45325%0.25SC..Hα-helixtrans-63.6-47.6178-169.8-179.69.400112.4Y238 L282 E284 I288 T290Y238-Q286 HydrophobicContact CD2-CB 3.92Å; Y238-Q286 HydrophobicContact CD2-CG 4.44Å; Y238-Q286 HydrophobicContact CE2-CB 3.67Å; Y238-Q286 HydrophobicContact CE2-CG 3.8Å; L282-Q286 VanDerWaalsContact O-CB 3.31Å; L282-Q286 WeakPolarHBondContact O-CB 3.41Å; L282-Q286 PolarHBondContact O-N 3.06Å; E284-Q286 VanDerWaalsContact C-N 3.29Å; E284-Q286 PolarHBondContact O-N 3.14Å; Q286-I288 VanDerWaalsContact C-N 3.34Å; Q286-I288 PolarHBondContact O-N 3.06Å; Q286-T290 WeakPolarHBondContact O-CB 3.27Å; Q286-T290 PolarHBondContact O-N 2.98Å; Q286-T290 PolarHBondContact O-OG1 3.15Å
287D97.4Very high95.9Very high27 Ų2749.1 Ų49.114%0.14425%0.253CS..Hα-helixtrans-58.7-48.1176.4-178.688.7000110.2E283 E284 T290 Y291 S328 R329 Y330E283-D287 PolarHBondContact O-N 3.31Å; E283-D287 VanDerWaalsContact O-N 3.08Å; E284-D287 PolarHBondContact O-N 3.26Å; D287-T290 WeakPolarHBondContact O-CB 3.46Å; D287-T290 PolarHBondContact O-N 2.83Å; D287-Y291 WeakPolarHBondContact O-CD2 3.42Å; D287-Y291 PolarHBondContact O-N 3.48Å; D287-Y291 VanDerWaalsContact O-N 3.09Å; D287-Y291 WeakPolarHBondContact OD1-CE2 3.38Å; D287-S328 WeakPolarHBondContact OD2-CA 3.34Å; D287-S328 WeakPolarHBondContact OD2-CB 3.14Å; D287-S328 PolarHBondContact OD2-OG 2.88Å; D287-R329 PolarHBondContact OD2-N 2.74Å; D287-Y330 HydrophobicContact CB-CD2 3.6Å; D287-Y330 HydrophobicContact CB-CE2 4.05Å; D287-Y330 PolarHBondContact OD2-N 2.65Å
288I96.4Very high95.9Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-62.1-51-179-67.8170.2000111.3W234 E284 A285 Q286 T290 Y291 L292 Y331W234-I288 HydrophobicContact CB-CG2 4.13Å; W234-I288 HydrophobicContact CD2-CB 4.2Å; W234-I288 HydrophobicContact CD2-CD1 4.13Å; W234-I288 HydrophobicContact CD2-CG2 3.5Å; W234-I288 HydrophobicContact CE3-CB 4.17Å; W234-I288 HydrophobicContact CE3-CD1 3.85Å; W234-I288 HydrophobicContact CE3-CG2 3.98Å; W234-I288 HydrophobicContact CG-CG2 3.53Å; W234-I288 HydrophobicContact CH2-CD1 3.35Å; W234-I288 HydrophobicContact CZ2-CD1 3.65Å; W234-I288 HydrophobicContact CZ3-CD1 3.45Å; W234-I288 VanDerWaalsContact CZ3-CD1 3.45Å; E284-I288 HydrophobicContact CG-CD1 3.75Å; E284-I288 VanDerWaalsContact O-CG1 3.3Å; E284-I288 WeakPolarHBondContact O-CG1 3.4Å; E284-I288 PolarHBondContact O-N 2.99Å; E284-I288 VanDerWaalsContact O-N 3.08Å; A285-I288 PolarHBondContact O-N 3.47Å; Q286-I288 VanDerWaalsContact C-N 3.34Å; Q286-I288 PolarHBondContact O-N 3.06Å; I288-T290 VanDerWaalsContact C-N 3.26Å; I288-T290 PolarHBondContact O-N 3.3Å; I288-Y291 PolarHBondContact O-N 2.91Å; I288-L292 HydrophobicContact CG2-CD1 3.47Å; I288-L292 VanDerWaalsContact CG2-CD1 3.47Å; I288-L292 HydrophobicContact CG2-CG 3.96Å; I288-L292 WeakPolarHBondContact O-CB 3.33Å; I288-L292 WeakPolarHBondContact O-CG 3.42Å; I288-L292 PolarHBondContact O-N 3.2Å; I288-Y331 HydrophobicContact CB-CD2 4.34Å; I288-Y331 HydrophobicContact CD1-CD2 4.27Å; I288-Y331 HydrophobicContact CG1-CD2 4.03Å; I288-Y331 HydrophobicContact CG2-CD2 3.5Å; I288-Y331 VanDerWaalsContact CG2-CD2 3.5Å; I288-Y331 HydrophobicContact CG2-CE2 3.98Å; I288-Y331 HydrophobicContact CG2-CG 4.5Å
289C96.1Very high95.8Very high12 Ų1247 Ų478%0.08124%0.242CC..Hα-helixtrans-55.1-43.8176.7-770000111.7W234 N235 A285 Y291 L292 T293W234-C289 PolarHBondContact O-SG 3.31Å; W234-C289 VanDerWaalsContact O-SG 3.37Å; N235-C289 PolarHBondContact OD1-SG 2.99Å; A285-C289 WeakPolarHBondContact O-CB 3.09Å; A285-C289 PolarHBondContact O-N 3.17Å; A285-C289 PolarHBondContact O-SG 2.76Å; A285-C289 VanDerWaalsContact O-SG 3.35Å; C289-Y291 PolarHBondContact O-N 3.19Å; C289-L292 PolarHBondContact O-N 3.43Å; C289-T293 PolarHBondContact O-N 3.46Å; C289-T293 PolarHBondContact O-OG1 3.15Å
290T96.2Very high95.8Very high86 Ų8647.3 Ų47.353%0.52824%0.241SC..Hα-helixtrans-58.9-46.5179.8-57.80000111.4Q286 D287 I288Q286-T290 WeakPolarHBondContact O-CB 3.27Å; Q286-T290 PolarHBondContact O-N 2.98Å; Q286-T290 PolarHBondContact O-OG1 3.15Å; D287-T290 WeakPolarHBondContact O-CB 3.46Å; D287-T290 PolarHBondContact O-N 2.83Å; I288-T290 VanDerWaalsContact C-N 3.26Å; I288-T290 PolarHBondContact O-N 3.3Å
291Y95.8Very high95.7Very high83 Ų8347.7 Ų47.733%0.32523%0.234SC..Hα-helixtrans-80.7-24.6-178.9-74-72.3000114D287 I288 C289 P294 V324 N327D287-Y291 WeakPolarHBondContact O-CD2 3.42Å; D287-Y291 PolarHBondContact O-N 3.48Å; D287-Y291 VanDerWaalsContact O-N 3.09Å; D287-Y291 WeakPolarHBondContact OD1-CE2 3.38Å; I288-Y291 PolarHBondContact O-N 2.91Å; C289-Y291 PolarHBondContact O-N 3.19Å; Y291-P294 VanDerWaalsContact O-CD 3.27Å; Y291-P294 WeakPolarHBondContact O-CD 3.48Å; Y291-V324 WeakPolarHBondContact O-CG2 3.47Å; Y291-N327 HydrophobicContact CD1-CB 4.08Å; Y291-N327 HydrophobicContact CE1-CB 3.45Å; Y291-N327 VanDerWaalsContact CE1-CB 3.45Å; Y291-N327 PolarHBondContact OH-O 3.49Å
292L95.7Very high95.6Very high3 Ų347.5 Ų47.52%0.01623%0.232CC..Hα-helixtrans-78.7-23175.2-72-177000113.2L231 W234 I288 C289 P294 L295 Q296 V324 Y331L231-L292 HydrophobicContact CD2-CB 3.67Å; L231-L292 HydrophobicContact CD2-CD1 4.17Å; L231-L292 HydrophobicContact CD2-CG 4.35Å; W234-L292 HydrophobicContact CB-CD1 4.41Å; W234-L292 HydrophobicContact CG-CD1 4.18Å; I288-L292 HydrophobicContact CG2-CD1 3.47Å; I288-L292 VanDerWaalsContact CG2-CD1 3.47Å; I288-L292 HydrophobicContact CG2-CG 3.96Å; I288-L292 WeakPolarHBondContact O-CB 3.33Å; I288-L292 WeakPolarHBondContact O-CG 3.42Å; I288-L292 PolarHBondContact O-N 3.2Å; C289-L292 PolarHBondContact O-N 3.43Å; L292-P294 VanDerWaalsContact C-CD 3.47Å; L292-L295 HydrophobicContact CD2-CD1 3.9Å; L292-L295 WeakPolarHBondContact O-CB 3.31Å; L292-L295 PolarHBondContact O-N 3.19Å; L292-Q296 PolarHBondContact O-N 3.37Å; L292-V324 HydrophobicContact CD2-CG1 4.07Å; L292-Y331 HydrophobicContact CD1-CD2 4.34Å; L292-Y331 HydrophobicContact CD1-CE2 3.87Å; L292-Y331 HydrophobicContact CD2-CD2 4.45Å; L292-Y331 HydrophobicContact CD2-CE1 4.15Å; L292-Y331 HydrophobicContact CD2-CE2 4.07Å; L292-Y331 HydrophobicContact CG-CE2 4.31Å
293T94.3Very high95.5Very high78 Ų7850.1 Ų50.148%0.47924%0.244SC..Hα-helixtrans-49.9-44.8-179.1-59.80000114.1C289 L295 Q296C289-T293 PolarHBondContact O-N 3.46Å; C289-T293 PolarHBondContact O-OG1 3.15Å; T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 3.02Å; T293-Q296 WeakPolarHBondContact O-CB 3.27Å; T293-Q296 PolarHBondContact O-N 2.95Å
294P94.3Very high95.3Very high60 Ų6052.1 Ų52.139%0.3926%0.258SS..Hα-helixtrans-64.1-28.6177.5-23.936.6000114.6Y291 L292 Q296 M320Y291-P294 VanDerWaalsContact O-CD 3.27Å; Y291-P294 WeakPolarHBondContact O-CD 3.48Å; L292-P294 VanDerWaalsContact C-CD 3.47Å; P294-Q296 VanDerWaalsContact C-N 3.34Å; P294-M320 HydrophobicContact CB-CE 3.28Å; P294-M320 HydrophobicContact CG-CE 4.12Å
295L95.3Very high95.3Very high0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-72-30.6177.6-75.7170.3000111.7L292 T293 R297 L298 F299 L317 M320 V321 V324 L340L292-L295 HydrophobicContact CD2-CD1 3.9Å; L292-L295 WeakPolarHBondContact O-CB 3.31Å; L292-L295 PolarHBondContact O-N 3.19Å; T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 3.02Å; L295-R297 VanDerWaalsContact C-N 3.33Å; L295-R297 PolarHBondContact O-N 3.35Å; L295-L298 PolarHBondContact O-N 2.95Å; L295-L298 VanDerWaalsContact O-N 3.11Å; L295-F299 HydrophobicContact CB-CD2 4.11Å; L295-F299 HydrophobicContact CB-CE2 3.81Å; L295-F299 HydrophobicContact CD2-CE2 4.44Å; L295-F299 WeakPolarHBondContact O-CD2 3.37Å; L295-F299 PolarHBondContact O-N 2.94Å; L295-L317 HydrophobicContact CD2-CD1 4Å; L295-M320 HydrophobicContact CD2-CB 3.62Å; L295-M320 HydrophobicContact CG-CB 4.42Å; L295-V321 HydrophobicContact CD1-CG2 4.32Å; L295-V321 HydrophobicContact CD2-CG2 3.96Å; L295-V324 HydrophobicContact CD1-CG2 3.79Å; L295-V324 HydrophobicContact CG-CG2 4.26Å; L295-L340 HydrophobicContact CD1-CD2 4.02Å
296Q94.6Very high95.2Very high68 Ų6859.4 Ų59.432%0.31829%0.292SS..Hα-helixtrans-52.9-52.3177.8-177.5-178.9-1500111.3L231 L292 T293 P294 L298 F299 E300L231-Q296 HydrophobicContact CD1-CB 3.79Å; L231-Q296 HydrophobicContact CD1-CG 4.04Å; L292-Q296 PolarHBondContact O-N 3.37Å; T293-Q296 WeakPolarHBondContact O-CB 3.27Å; T293-Q296 PolarHBondContact O-N 2.95Å; P294-Q296 VanDerWaalsContact C-N 3.34Å; Q296-L298 VanDerWaalsContact C-N 3.29Å; Q296-L298 PolarHBondContact O-N 3.35Å; Q296-F299 PolarHBondContact O-N 3.23Å; Q296-E300 VanDerWaalsContact CG-OE1 3.32Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.19Å; Q296-E300 PolarHBondContact NE2-OE1 3.36Å; Q296-E300 WeakPolarHBondContact O-CG 3.34Å; Q296-E300 PolarHBondContact O-N 2.9Å
297R93.6Very high95.2Very high167 Ų16755.1 Ų55.163%0.6327%0.272SS*.Hα-helixtrans-59.5-40.6178.8-180179.1170.2143.35.9112.3L295 E300 E301L295-R297 VanDerWaalsContact C-N 3.33Å; L295-R297 PolarHBondContact O-N 3.35Å; R297-E300 PolarHBondContact O-N 3.36Å; R297-E301 HydrophobicContact CG-CG 4.48Å; R297-E301 IonicContact CZ-OE1 3.34Å; R297-E301 IonicContact NE-OE1 2.72Å; R297-E301 PolarHBondContact NE-OE1 3.43Å; R297-E301 IonicContact NH2-OE1 3.92Å; R297-E301 PolarHBondContact NH2-OE1 3.13Å; R297-E301 WeakPolarHBondContact O-CB 3.32Å; R297-E301 VanDerWaalsContact O-CG 3.29Å; R297-E301 WeakPolarHBondContact O-CG 3.44Å; R297-E301 PolarHBondContact O-N 2.95Å
298L95.2Very high95.1Very high26 Ų2655.8 Ų55.814%0.13628%0.278CS..Hα-helixtrans-67.7-38.1179.2-72.6-177.9000112.5L295 Q296 E301 V302 L317 M320L295-L298 PolarHBondContact O-N 2.95Å; L295-L298 VanDerWaalsContact O-N 3.11Å; Q296-L298 VanDerWaalsContact C-N 3.29Å; Q296-L298 PolarHBondContact O-N 3.35Å; L298-E301 PolarHBondContact O-N 2.73Å; L298-V302 WeakPolarHBondContact O-CB 3.22Å; L298-V302 VanDerWaalsContact O-CG2 3.29Å; L298-V302 WeakPolarHBondContact O-CG2 3.47Å; L298-V302 PolarHBondContact O-N 3.32Å; L298-L317 HydrophobicContact CB-CD1 3.93Å; L298-L317 HydrophobicContact CD1-CD1 4.34Å; L298-M320 HydrophobicContact CD1-CB 3.88Å; L298-M320 HydrophobicContact CD1-CG 3.45Å; L298-M320 VanDerWaalsContact CD1-CG 3.45Å
299F96.2Very high95.1Very high0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-68.1-42.6174.6-70-55.5000111.5P227 L231 L295 Q296 E301 V302 E303 L317 L340 T344 L347P227-F299 HydrophobicContact CB-CD1 3.75Å; P227-F299 HydrophobicContact CB-CD2 3.65Å; P227-F299 HydrophobicContact CB-CE1 3.58Å; P227-F299 HydrophobicContact CB-CE2 3.47Å; P227-F299 VanDerWaalsContact CB-CE2 3.47Å; P227-F299 HydrophobicContact CB-CG 3.79Å; P227-F299 HydrophobicContact CB-CZ 3.44Å; P227-F299 VanDerWaalsContact CB-CZ 3.44Å; P227-F299 HydrophobicContact CG-CD1 3.71Å; P227-F299 HydrophobicContact CG-CE1 3.44Å; P227-F299 VanDerWaalsContact CG-CE1 3.44Å; P227-F299 HydrophobicContact CG-CE2 4.28Å; P227-F299 HydrophobicContact CG-CG 4.24Å; P227-F299 HydrophobicContact CG-CZ 3.76Å; L231-F299 HydrophobicContact CD1-CD2 4.12Å; L295-F299 HydrophobicContact CB-CD2 4.11Å; L295-F299 HydrophobicContact CB-CE2 3.81Å; L295-F299 HydrophobicContact CD2-CE2 4.44Å; L295-F299 WeakPolarHBondContact O-CD2 3.37Å; L295-F299 PolarHBondContact O-N 2.94Å; Q296-F299 PolarHBondContact O-N 3.23Å; F299-E301 VanDerWaalsContact C-N 3.32Å; F299-E301 PolarHBondContact O-N 3.37Å; F299-V302 PolarHBondContact O-N 2.66Å; F299-E303 VanDerWaalsContact O-CB 3.23Å; F299-E303 WeakPolarHBondContact O-CB 3.42Å; F299-E303 PolarHBondContact O-N 3.16Å; F299-L317 HydrophobicContact CD1-CD1 3.92Å; F299-L317 HydrophobicContact CD1-CD2 4.45Å; F299-L317 HydrophobicContact CE1-CD1 3.59Å; F299-L317 HydrophobicContact CE1-CD2 3.89Å; F299-L317 HydrophobicContact CE1-CG 4.24Å; F299-L317 HydrophobicContact CZ-CD1 3.94Å; F299-L340 HydrophobicContact CE2-CD1 3.99Å; F299-L340 HydrophobicContact CZ-CD1 3.96Å; F299-T344 HydrophobicContact CE1-CG2 4.22Å; F299-L347 HydrophobicContact CD1-CD2 4.12Å
300E94.8Very high95.2Very high77 Ų7760 Ų6036%0.3630%0.3SS..Hα-helixtrans-59.2-42.8173.3-71.4170.3-173.700111.4Q296 R297 N304Q296-E300 VanDerWaalsContact CG-OE1 3.32Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.19Å; Q296-E300 PolarHBondContact NE2-OE1 3.36Å; Q296-E300 WeakPolarHBondContact O-CG 3.34Å; Q296-E300 PolarHBondContact O-N 2.9Å; R297-E300 PolarHBondContact O-N 3.36Å; E300-N304 WeakPolarHBondContact O-CB 3.27Å; E300-N304 PolarHBondContact O-N 3.18Å; E300-N304 PolarHBondContact O-ND2 3.34Å
301E93.9Very high95.1Very high60 Ų6060.4 Ų60.428%0.2829%0.294SS..Hα-helixtrans-62.1-51.4174.9-75.7173.2-172.200110.7R297 L298 F299 E303 N304 M305R297-E301 HydrophobicContact CG-CG 4.48Å; R297-E301 IonicContact CZ-OE1 3.34Å; R297-E301 IonicContact NE-OE1 2.72Å; R297-E301 PolarHBondContact NE-OE1 3.43Å; R297-E301 IonicContact NH2-OE1 3.92Å; R297-E301 PolarHBondContact NH2-OE1 3.13Å; R297-E301 WeakPolarHBondContact O-CB 3.32Å; R297-E301 VanDerWaalsContact O-CG 3.29Å; R297-E301 WeakPolarHBondContact O-CG 3.44Å; R297-E301 PolarHBondContact O-N 2.95Å; L298-E301 PolarHBondContact O-N 2.73Å; F299-E301 VanDerWaalsContact C-N 3.32Å; F299-E301 PolarHBondContact O-N 3.37Å; E301-E303 VanDerWaalsContact C-N 3.33Å; E301-E303 PolarHBondContact O-N 2.96Å; E301-N304 PolarHBondContact O-N 3.06Å; E301-M305 WeakPolarHBondContact O-CG 3.38Å; E301-M305 PolarHBondContact O-N 3.44Å
302V94.7Very high95.1Very high4 Ų459.3 Ų59.32%0.02431%0.308CS..Hα-helixtrans-57.7-44.9178.2166.50000111.8L298 F299 N304 M305 V310 Q313 L347 Q351L298-V302 WeakPolarHBondContact O-CB 3.22Å; L298-V302 VanDerWaalsContact O-CG2 3.29Å; L298-V302 WeakPolarHBondContact O-CG2 3.47Å; L298-V302 PolarHBondContact O-N 3.32Å; F299-V302 PolarHBondContact O-N 2.66Å; V302-N304 VanDerWaalsContact C-N 3.29Å; V302-N304 PolarHBondContact O-N 3.26Å; V302-M305 PolarHBondContact O-N 3.36Å; V302-V310 HydrophobicContact CG1-CG1 3.86Å; V302-V310 HydrophobicContact CG1-CG2 4.17Å; V302-Q313 HydrophobicContact CG2-CB 3.87Å; V302-Q313 HydrophobicContact CG2-CG 4.4Å; V302-L347 HydrophobicContact CG1-CD2 4.15Å; V302-Q351 PolarHBondContact O-NE2 3.5Å
303E93.7Very high95.1Very high71 Ų7161.7 Ų61.733%0.33232%0.319SS..Hα-helixtrans-67.4-29.4-175-155.2169.6-114.700112.3H228 F299 E301 L347 Q351H228-E303 VanDerWaalsContact CE1-CD 3.43Å; H228-E303 IonicContact CE1-OE1 2.71Å; H228-E303 PolarHBondContact CE1-OE1 2.84Å; H228-E303 IonicContact CE1-OE2 3.32Å; H228-E303 PolarHBondContact CE1-OE2 2.89Å; H228-E303 IonicContact ND1-OE1 3.83Å; H228-E303 PolarHBondContact ND1-OE1 3.43Å; H228-E303 VanDerWaalsContact ND1-OE1 3.16Å; H228-E303 IonicContact ND1-OE2 3.15Å; H228-E303 PolarHBondContact ND1-OE2 3.25Å; H228-E303 IonicContact NE2-OE2 3.54Å; F299-E303 VanDerWaalsContact O-CB 3.23Å; F299-E303 WeakPolarHBondContact O-CB 3.42Å; F299-E303 PolarHBondContact O-N 3.16Å; E301-E303 VanDerWaalsContact C-N 3.33Å; E301-E303 PolarHBondContact O-N 2.96Å; E303-L347 HydrophobicContact CB-CD1 4.37Å; E303-L347 HydrophobicContact CG-CD1 3.82Å; E303-Q351 PolarHBondContact O-NE2 2.99Å
304N93.8Very high95.3Very high138 Ų13858.1 Ų58.174%0.73830%0.297SS*.Hα-helixtrans-91.7-3.9177.9-70-58000114.5E300 E301 V302E300-N304 WeakPolarHBondContact O-CB 3.27Å; E300-N304 PolarHBondContact O-N 3.18Å; E300-N304 PolarHBondContact O-ND2 3.34Å; E301-N304 PolarHBondContact O-N 3.06Å; V302-N304 VanDerWaalsContact C-N 3.29Å; V302-N304 PolarHBondContact O-N 3.26Å
305M94.8Very high95.3Very high58 Ų5861.6 Ų61.629%0.28631%0.306SS..SBendtrans-88.9153.5179.4-75.3172.478.700112.1E301 V302 D309 V310 Q313E301-M305 WeakPolarHBondContact O-CG 3.38Å; E301-M305 PolarHBondContact O-N 3.44Å; V302-M305 PolarHBondContact O-N 3.36Å; M305-D309 HydrophobicContact CE-CB 3.68Å; M305-V310 HydrophobicContact CB-CG2 4.36Å; M305-Q313 HydrophobicContact CE-CG 4.09Å; M305-Q313 HydrophobicContact SD-CG 3.76Å
306E95.1Very high95.4Very high133 Ų13363.5 Ų63.562%0.62132%0.322SS*.  trans-62.6138.5165.8-68.9-61.515300109.8P308 D309 V310E306-P308 VanDerWaalsContact C-CD 3.47Å; E306-D309 WeakPolarHBondContact O-CB 3.43Å; E306-D309 PolarHBondContact O-N 3.16Å; E306-V310 PolarHBondContact O-N 2.95Å
307F97Very high95.5Very high6 Ų660.6 Ų60.63%0.02631%0.309CS..G310 helixtrans-57.1-39.5-170.3-176.9-118.3000114.9D309 V310 Q351 A352 Y355 S376 V379 L380F307-D309 PolarHBondContact O-N 2.93Å; F307-V310 HydrophobicContact CD2-CG2 4.4Å; F307-V310 WeakPolarHBondContact O-CB 3.46Å; F307-V310 PolarHBondContact O-N 2.86Å; F307-Q351 HydrophobicContact CD2-CB 3.55Å; F307-Q351 HydrophobicContact CE2-CB 4.06Å; F307-Q351 HydrophobicContact CG-CB 4.35Å; F307-A352 HydrophobicContact CE1-CB 3.72Å; F307-A352 HydrophobicContact CE2-CB 4.1Å; F307-A352 HydrophobicContact CZ-CB 3.5Å; F307-A352 VanDerWaalsContact CZ-CB 3.5Å; F307-Y355 HydrophobicContact CB-CD2 4.31Å; F307-Y355 HydrophobicContact CB-CG 4Å; F307-Y355 AromaticContact CD1-CD1 3.64Å; F307-Y355 HydrophobicContact CD1-CD1 3.64Å; F307-Y355 HydrophobicContact CD1-CE1 4.35Å; F307-Y355 AromaticContact CD1-CG 3.88Å; F307-Y355 HydrophobicContact CD1-CG 3.88Å; F307-Y355 HydrophobicContact CE1-CD1 4.38Å; F307-Y355 HydrophobicContact CG-CG 4.39Å; F307-S376 WeakPolarHBondContact CE1-OG 3.45Å; F307-V379 HydrophobicContact CE1-CB 4.45Å; F307-V379 HydrophobicContact CE2-CG1 3.83Å; F307-V379 HydrophobicContact CZ-CB 4.01Å; F307-V379 HydrophobicContact CZ-CG1 3.8Å; F307-L380 HydrophobicContact CZ-CD2 4.4Å
308P96.8Very high95.7Very high42 Ų4252.7 Ų52.727%0.27328%0.279SS..G310 helixtrans-58.8-33.3174.1-2636.5000113.9E306 V310 K311 Y355 T375E306-P308 VanDerWaalsContact C-CD 3.47Å; P308-V310 VanDerWaalsContact C-N 3.32Å; P308-V310 PolarHBondContact O-N 2.97Å; P308-K311 WeakPolarHBondContact O-CB 3.25Å; P308-K311 PolarHBondContact O-N 2.96Å; P308-Y355 HydrophobicContact CG-CD2 4.48Å; P308-Y355 HydrophobicContact CG-CE1 4.45Å; P308-Y355 HydrophobicContact CG-CE2 3.76Å; P308-T375 HydrophobicContact CB-CG2 3.87Å; P308-T375 HydrophobicContact CG-CG2 3.99Å
309D96.3Very high95.8Very high99 Ų9955.4 Ų55.453%0.52929%0.291SS..G310 helixtrans-77.7-20-176.6-64.7-33.8000112.5M305 E306 F307 K311 G312M305-D309 HydrophobicContact CE-CB 3.68Å; E306-D309 WeakPolarHBondContact O-CB 3.43Å; E306-D309 PolarHBondContact O-N 3.16Å; F307-D309 PolarHBondContact O-N 2.93Å; D309-K311 PolarHBondContact O-N 3.34Å; D309-G312 PolarHBondContact O-N 3.18Å
310V96.7Very high95.8Very high2 Ų257.6 Ų57.61%0.01230%0.301CS..G310 helixtrans-55.1-28174177.30000111.5V302 M305 E306 F307 P308 G312 Q313 I314 L348 V379V302-V310 HydrophobicContact CG1-CG1 3.86Å; V302-V310 HydrophobicContact CG1-CG2 4.17Å; M305-V310 HydrophobicContact CB-CG2 4.36Å; E306-V310 PolarHBondContact O-N 2.95Å; F307-V310 HydrophobicContact CD2-CG2 4.4Å; F307-V310 WeakPolarHBondContact O-CB 3.46Å; F307-V310 PolarHBondContact O-N 2.86Å; P308-V310 VanDerWaalsContact C-N 3.32Å; P308-V310 PolarHBondContact O-N 2.97Å; V310-G312 PolarHBondContact O-N 3.14Å; V310-G312 VanDerWaalsContact O-N 3.09Å; V310-Q313 PolarHBondContact O-N 3.02Å; V310-I314 HydrophobicContact CG1-CG1 4.42Å; V310-I314 PolarHBondContact O-N 3.35Å; V310-L348 HydrophobicContact CG1-CD2 3.83Å; V310-V379 HydrophobicContact CG1-CG1 4.46Å
311K95.6Very high95.9Very high94 Ų9454.1 Ų54.141%0.40929%0.285SS..G310 helixtrans-47.9-38.6173.6-167.7177.1-177.8167.60112.9P308 D309 Q313 E378 V379 L382P308-K311 WeakPolarHBondContact O-CB 3.25Å; P308-K311 PolarHBondContact O-N 2.96Å; D309-K311 PolarHBondContact O-N 3.34Å; K311-Q313 VanDerWaalsContact C-N 3.33Å; K311-Q313 PolarHBondContact O-N 3.36Å; K311-E378 IonicContact NZ-OE2 3.19Å; K311-E378 PolarHBondContact NZ-OE2 2.9Å; K311-V379 HydrophobicContact CB-CG2 4.19Å; K311-L382 HydrophobicContact CB-CD2 4.47Å; K311-L382 HydrophobicContact CG-CD2 3.48Å; K311-L382 VanDerWaalsContact CG-CD2 3.48Å
312G95.1Very high96Very high60 Ų6051.2 Ų51.262%0.61927%0.272SS*.G310 helixtrans-69.2-27.6179.700000114.1D309 V310D309-G312 PolarHBondContact O-N 3.18Å; V310-G312 PolarHBondContact O-N 3.14Å; V310-G312 VanDerWaalsContact O-N 3.09Å
313Q95.9Very high96.1Very high52 Ų5253.3 Ų53.324%0.24328%0.283CS..THydrogen-bonded Turntrans-94.4-19.9-173.7-61.2-59-12.900114.1V302 M305 V310 K311 K315 A316 L317V302-Q313 HydrophobicContact CG2-CB 3.87Å; V302-Q313 HydrophobicContact CG2-CG 4.4Å; M305-Q313 HydrophobicContact CE-CG 4.09Å; M305-Q313 HydrophobicContact SD-CG 3.76Å; V310-Q313 PolarHBondContact O-N 3.02Å; K311-Q313 VanDerWaalsContact C-N 3.33Å; K311-Q313 PolarHBondContact O-N 3.36Å; Q313-K315 VanDerWaalsContact C-N 3.28Å; Q313-K315 PolarHBondContact O-N 3.16Å; Q313-K315 VanDerWaalsContact O-N 3.16Å; Q313-A316 PolarHBondContact O-N 3.08Å; Q313-L317 WeakPolarHBondContact O-CB 3.39Å; Q313-L317 PolarHBondContact O-N 3.39Å
314I97.1Very high96.1Very high3 Ų350.1 Ų50.12%0.01527%0.268CS..Hα-helixtrans-51.6-44.6-176.1-74.4171.1000112.9V310 L317 M318 V379 L382 F383 T386V310-I314 HydrophobicContact CG1-CG1 4.42Å; V310-I314 PolarHBondContact O-N 3.35Å; I314-L317 PolarHBondContact O-N 3.23Å; I314-M318 PolarHBondContact O-N 3.31Å; I314-V379 HydrophobicContact CD1-CG1 3.84Å; I314-V379 WeakPolarHBondContact CD1-O 3.36Å; I314-L382 HydrophobicContact CB-CD2 4.42Å; I314-L382 HydrophobicContact CD1-CB 4.13Å; I314-L382 HydrophobicContact CD1-CD2 3.97Å; I314-L382 HydrophobicContact CD1-CG 4.09Å; I314-L382 HydrophobicContact CG2-CG 4.16Å; I314-F383 HydrophobicContact CD1-CB 4.27Å; I314-F383 HydrophobicContact CG2-CB 4.27Å; I314-F383 HydrophobicContact CG2-CD2 4.18Å; I314-T386 HydrophobicContact CG2-CG2 4.22Å
315K96.2Very high96.2Very high133 Ų13343.8 Ų43.858%0.57823%0.234SC*.Hα-helixtrans-67.9-41.2179.9-67.3-175.9-179.4179.10112.2Q313 H319 T386Q313-K315 VanDerWaalsContact C-N 3.28Å; Q313-K315 PolarHBondContact O-N 3.16Å; Q313-K315 VanDerWaalsContact O-N 3.16Å; K315-H319 VanDerWaalsContact O-CB 3.22Å; K315-H319 WeakPolarHBondContact O-CB 3.29Å; K315-H319 PolarHBondContact O-N 3.02Å; K315-T386 HydrophobicContact CG-CG2 4.15Å
316A96.4Very high96.1Very high40 Ų4042.5 Ų42.533%0.33123%0.232SC..Hα-helixtrans-64.4-43.8177.500000110.7Q313 H319 M320Q313-A316 PolarHBondContact O-N 3.08Å; A316-H319 PolarHBondContact O-N 3.34Å; A316-M320 WeakPolarHBondContact O-CG 3.03Å; A316-M320 PolarHBondContact O-N 2.93Å
317L97Very high96Very high8 Ų838.3 Ų38.34%0.04221%0.214CC..Hα-helixtrans-59.5-53.4176.5-173.570.9000111.7L295 L298 F299 Q313 I314 H319 M320 V321 T344L295-L317 HydrophobicContact CD2-CD1 4Å; L298-L317 HydrophobicContact CB-CD1 3.93Å; L298-L317 HydrophobicContact CD1-CD1 4.34Å; F299-L317 HydrophobicContact CD1-CD1 3.92Å; F299-L317 HydrophobicContact CD1-CD2 4.45Å; F299-L317 HydrophobicContact CE1-CD1 3.59Å; F299-L317 HydrophobicContact CE1-CD2 3.89Å; F299-L317 HydrophobicContact CE1-CG 4.24Å; F299-L317 HydrophobicContact CZ-CD1 3.94Å; Q313-L317 WeakPolarHBondContact O-CB 3.39Å; Q313-L317 PolarHBondContact O-N 3.39Å; I314-L317 PolarHBondContact O-N 3.23Å; L317-H319 VanDerWaalsContact C-N 3.28Å; L317-H319 PolarHBondContact O-N 3.07Å; L317-M320 PolarHBondContact O-N 2.87Å; L317-M320 VanDerWaalsContact O-N 3.13Å; L317-V321 WeakPolarHBondContact O-CG2 3.43Å; L317-V321 PolarHBondContact O-N 3.19Å; L317-T344 HydrophobicContact CD2-CG2 3.81Å
318M97.6Very high95.9Very high1 Ų138.1 Ų38.11%0.00521%0.214CC..Hα-helixtrans-63.1-36.6179.6-168.16164.100112I314 M320 V321 C322 L341 F383 T386 Y387 H390 W407I314-M318 PolarHBondContact O-N 3.31Å; M318-M320 VanDerWaalsContact C-N 3.35Å; M318-V321 PolarHBondContact O-N 2.93Å; M318-C322 PolarHBondContact O-N 2.84Å; M318-C322 PolarHBondContact O-SG 2.69Å; M318-L341 HydrophobicContact CE-CD2 4.13Å; M318-L341 HydrophobicContact SD-CD2 4.35Å; M318-F383 HydrophobicContact CE-CD2 4.04Å; M318-F383 HydrophobicContact CE-CE2 3.43Å; M318-F383 VanDerWaalsContact CE-CE2 3.43Å; M318-F383 HydrophobicContact CE-CZ 3.8Å; M318-T386 HydrophobicContact CB-CG2 3.72Å; M318-T386 HydrophobicContact CG-CG2 4Å; M318-Y387 HydrophobicContact CE-CD2 4.34Å; M318-Y387 HydrophobicContact SD-CD2 4.4Å; M318-H390 HydrophobicContact CG-CB 3.87Å; M318-W407 HydrophobicContact SD-CH2 4.06Å
319H96.4Very high95.7Very high82 Ų8245.4 Ų45.438%0.3824%0.236SC..Hα-helixtrans-61.3-43.8174.2-176.984000111.9K315 A316 L317 C322 L323 Y397K315-H319 VanDerWaalsContact O-CB 3.22Å; K315-H319 WeakPolarHBondContact O-CB 3.29Å; K315-H319 PolarHBondContact O-N 3.02Å; A316-H319 PolarHBondContact O-N 3.34Å; L317-H319 VanDerWaalsContact C-N 3.28Å; L317-H319 PolarHBondContact O-N 3.07Å; H319-C322 WeakPolarHBondContact O-CB 3.39Å; H319-C322 PolarHBondContact O-N 3.39Å; H319-L323 WeakPolarHBondContact NE2-CD1 3.46Å; H319-L323 WeakPolarHBondContact O-CG 3.49Å; H319-L323 PolarHBondContact O-N 2.8Å; H319-Y397 AromaticContact CE1-CE1 3.52Å; H319-Y397 AromaticContact CE1-CZ 3.91Å; H319-Y397 AromaticContact ND1-CE1 3.65Å; H319-Y397 AromaticContact ND1-CZ 3.62Å; H319-Y397 PolarHBondContact ND1-OH 3.43Å
320M97.1Very high95.6Very high46 Ų4644.2 Ų44.223%0.22723%0.225CC..Hα-helixtrans-65.8-40.9176.4-72.7-57.2-67.100112.1P294 L295 L298 A316 L317 M318 C322 L323 V324P294-M320 HydrophobicContact CB-CE 3.28Å; P294-M320 HydrophobicContact CG-CE 4.12Å; L295-M320 HydrophobicContact CD2-CB 3.62Å; L295-M320 HydrophobicContact CG-CB 4.42Å; L298-M320 HydrophobicContact CD1-CB 3.88Å; L298-M320 HydrophobicContact CD1-CG 3.45Å; L298-M320 VanDerWaalsContact CD1-CG 3.45Å; A316-M320 WeakPolarHBondContact O-CG 3.03Å; A316-M320 PolarHBondContact O-N 2.93Å; L317-M320 PolarHBondContact O-N 2.87Å; L317-M320 VanDerWaalsContact O-N 3.13Å; M318-M320 VanDerWaalsContact C-N 3.35Å; M320-C322 VanDerWaalsContact C-N 3.28Å; M320-C322 PolarHBondContact O-N 2.92Å; M320-L323 WeakPolarHBondContact O-CB 3.32Å; M320-L323 PolarHBondContact O-N 2.79Å; M320-L323 HydrophobicContact SD-CD1 3.65Å; M320-V324 WeakPolarHBondContact O-CG2 3.45Å; M320-V324 PolarHBondContact O-N 2.75Å
321V97.2Very high95.4Very high4 Ų444.2 Ų44.22%0.02422%0.224CC..Hα-helixtrans-56.6-43.5173172.60000111.1L295 L317 M318 L323 V324 W325 L337 L340 L341L295-V321 HydrophobicContact CD1-CG2 4.32Å; L295-V321 HydrophobicContact CD2-CG2 3.96Å; L317-V321 WeakPolarHBondContact O-CG2 3.43Å; L317-V321 PolarHBondContact O-N 3.19Å; M318-V321 PolarHBondContact O-N 2.93Å; V321-L323 VanDerWaalsContact C-N 3.35Å; V321-L323 PolarHBondContact O-N 3.19Å; V321-V324 PolarHBondContact O-N 3.41Å; V321-W325 WeakPolarHBondContact O-CB 3.3Å; V321-W325 PolarHBondContact O-N 2.8Å; V321-L337 HydrophobicContact CG1-CD1 3.46Å; V321-L337 VanDerWaalsContact CG1-CD1 3.46Å; V321-L340 HydrophobicContact CG2-CD2 4.25Å; V321-L341 HydrophobicContact CG1-CD2 4.5Å
322C96.1Very high95.3Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-65.1-36.5175.8-64.60000112.8M318 H319 M320 W325 A326 Y397M318-C322 PolarHBondContact O-N 2.84Å; M318-C322 PolarHBondContact O-SG 2.69Å; H319-C322 WeakPolarHBondContact O-CB 3.39Å; H319-C322 PolarHBondContact O-N 3.39Å; M320-C322 VanDerWaalsContact C-N 3.28Å; M320-C322 PolarHBondContact O-N 2.92Å; C322-W325 PolarHBondContact O-N 2.88Å; C322-A326 VanDerWaalsContact O-CB 3.28Å; C322-A326 WeakPolarHBondContact O-CB 3.46Å; C322-A326 PolarHBondContact O-N 2.94Å; C322-Y397 HydrophobicContact CB-CD1 4.05Å; C322-Y397 HydrophobicContact CB-CD2 3.98Å; C322-Y397 HydrophobicContact CB-CE1 3.58Å; C322-Y397 HydrophobicContact CB-CE2 3.52Å; C322-Y397 HydrophobicContact CB-CG 4.22Å
323L95.3Very high95.2Very high47 Ų4741.1 Ų41.125%0.24620%0.2CC..Hα-helixtrans-66.1-43.1174.5-74.3171000111.5H319 M320 V321 W325 A326 N327 Y397H319-L323 WeakPolarHBondContact NE2-CD1 3.46Å; H319-L323 WeakPolarHBondContact O-CG 3.49Å; H319-L323 PolarHBondContact O-N 2.8Å; M320-L323 WeakPolarHBondContact O-CB 3.32Å; M320-L323 PolarHBondContact O-N 2.79Å; M320-L323 HydrophobicContact SD-CD1 3.65Å; V321-L323 VanDerWaalsContact C-N 3.35Å; V321-L323 PolarHBondContact O-N 3.19Å; L323-W325 VanDerWaalsContact C-N 3.34Å; L323-W325 PolarHBondContact O-N 2.98Å; L323-A326 PolarHBondContact O-N 2.8Å; L323-N327 WeakPolarHBondContact O-CB 3.39Å; L323-N327 PolarHBondContact O-N 3.16Å; L323-N327 PolarHBondContact O-ND2 2.78Å; L323-Y397 HydrophobicContact CD2-CD1 3.81Å; L323-Y397 HydrophobicContact CD2-CE1 4.06Å; L323-Y397 HydrophobicContact CG-CD1 4.17Å; L323-Y397 HydrophobicContact CG-CE1 4Å
324V95.5Very high95.1Very high5 Ų540.5 Ų40.53%0.0320%0.2CC..Hα-helixtrans-58-50.1173.6174.70000110.2Y291 L292 L295 M320 V321 A326 N327 S328 Y331Y291-V324 WeakPolarHBondContact O-CG2 3.47Å; L292-V324 HydrophobicContact CD2-CG1 4.07Å; L295-V324 HydrophobicContact CD1-CG2 3.79Å; L295-V324 HydrophobicContact CG-CG2 4.26Å; M320-V324 WeakPolarHBondContact O-CG2 3.45Å; M320-V324 PolarHBondContact O-N 2.75Å; V321-V324 PolarHBondContact O-N 3.41Å; V324-A326 VanDerWaalsContact C-N 3.31Å; V324-A326 PolarHBondContact O-N 2.97Å; V324-N327 PolarHBondContact O-N 3.28Å; V324-S328 VanDerWaalsContact O-CB 3.27Å; V324-S328 WeakPolarHBondContact O-CB 3.39Å; V324-S328 PolarHBondContact O-N 3.49Å; V324-Y331 HydrophobicContact CG1-CD1 3.63Å; V324-Y331 HydrophobicContact CG1-CE1 4.31Å; V324-Y331 HydrophobicContact CG1-CG 4.05Å
325W95.3Very high94.9Very high5 Ų542.2 Ų42.22%0.01922%0.219CC..Hα-helixtrans-57.6-40177.8179.4-96.7000113.5V321 C322 L323 N332 T333 P334 L337 R405 W407V321-W325 WeakPolarHBondContact O-CB 3.3Å; V321-W325 PolarHBondContact O-N 2.8Å; C322-W325 PolarHBondContact O-N 2.88Å; L323-W325 VanDerWaalsContact C-N 3.34Å; L323-W325 PolarHBondContact O-N 2.98Å; W325-N332 HydrophobicContact CD2-CB 4.25Å; W325-N332 HydrophobicContact CE3-CB 4.29Å; W325-N332 VanDerWaalsContact CH2-O 3.27Å; W325-N332 WeakPolarHBondContact CH2-O 3.5Å; W325-N332 VanDerWaalsContact CZ3-CA 3.5Å; W325-N332 HydrophobicContact CZ3-CB 4.48Å; W325-N332 WeakPolarHBondContact O-CB 3.37Å; W325-T333 VanDerWaalsContact CZ3-N 3.33Å; W325-P334 HydrophobicContact CH2-CG 4.31Å; W325-L337 HydrophobicContact CD2-CD2 4.21Å; W325-L337 HydrophobicContact CE3-CB 4.02Å; W325-L337 HydrophobicContact CE3-CD2 3.71Å; W325-L337 HydrophobicContact CE3-CG 4.37Å; W325-L337 HydrophobicContact CZ3-CB 3.82Å; W325-L337 HydrophobicContact CZ3-CD2 3.89Å; W325-L337 HydrophobicContact CZ3-CG 4.49Å; W325-R405 HydrophobicContact CZ2-CB 4Å; W325-R405 PolarHBondContact NE1-O 3.39Å; W325-W407 AromaticContact CD1-NE1 3.47Å; W325-W407 AromaticContact CD2-CD1 3.91Å; W325-W407 AromaticContact CD2-NE1 3.49Å; W325-W407 AromaticContact CE2-CD1 3.48Å; W325-W407 VanDerWaalsContact CE2-CD1 3.48Å; W325-W407 AromaticContact CE2-NE1 3.51Å; W325-W407 AromaticContact CG-NE1 3.5Å; W325-W407 AromaticContact CZ2-CD1 3.73Å; W325-W407 AromaticContact NE1-CD1 3.59Å; W325-W407 AromaticContact NE1-NE1 3.45Å
326A93.4Very high94.8Very high30 Ų3037.8 Ų37.825%0.24820%0.199CC..Hα-helixtrans-79.6-26.6-176.600000114C322 L323 V324 V404C322-A326 VanDerWaalsContact O-CB 3.28Å; C322-A326 WeakPolarHBondContact O-CB 3.46Å; C322-A326 PolarHBondContact O-N 2.94Å; L323-A326 PolarHBondContact O-N 2.8Å; V324-A326 VanDerWaalsContact C-N 3.31Å; V324-A326 PolarHBondContact O-N 2.97Å; A326-V404 HydrophobicContact CB-CG1 4.2Å; A326-V404 HydrophobicContact CB-CG2 3.99Å
327N92.2Very high94.8Very high45 Ų4535.9 Ų35.924%0.24118%0.183CC..Hα-helixtrans-109.5-28.2-172.5-60.5-94.7000113.6Y291 L323 V324 K399Y291-N327 HydrophobicContact CD1-CB 4.08Å; Y291-N327 HydrophobicContact CE1-CB 3.45Å; Y291-N327 VanDerWaalsContact CE1-CB 3.45Å; Y291-N327 PolarHBondContact OH-O 3.49Å; L323-N327 WeakPolarHBondContact O-CB 3.39Å; L323-N327 PolarHBondContact O-N 3.16Å; L323-N327 PolarHBondContact O-ND2 2.78Å; V324-N327 PolarHBondContact O-N 3.28Å; N327-K399 PolarHBondContact OD1-NZ 3.15Å; N327-K399 VanDerWaalsContact OD1-NZ 3.1Å
328S94.2Very high94.7Very high3 Ų336.6 Ų36.62%0.02119%0.187CC..  trans-72.8134.9175.5174.50000111D287 V324 Y330 Y331 N332D287-S328 WeakPolarHBondContact OD2-CA 3.34Å; D287-S328 WeakPolarHBondContact OD2-CB 3.14Å; D287-S328 PolarHBondContact OD2-OG 2.88Å; V324-S328 VanDerWaalsContact O-CB 3.27Å; V324-S328 WeakPolarHBondContact O-CB 3.39Å; V324-S328 PolarHBondContact O-N 3.49Å; S328-Y330 PolarHBondContact OG-N 2.9Å; S328-Y331 WeakPolarHBondContact OG-CB 3.33Å; S328-Y331 PolarHBondContact OG-N 3.35Å; S328-N332 PolarHBondContact O-ND2 2.88Å
329R92.3Very high94.7Very high194 Ų19436.8 Ų36.873%0.73219%0.188SC*.SBendtrans-76.5-29.6179.2-66.3-179.5-179.6179.92.3112.1D287 N332D287-R329 PolarHBondContact OD2-N 2.74Å; R329-N332 PolarHBondContact O-OD1 3.01Å; R329-N332 VanDerWaalsContact O-OD1 3.05Å
330Y93.9Very high94.7Very high75 Ų7532.9 Ų32.929%0.29417%0.17SC..SBendtrans-111.3-29.9-172.5-59.4-84.4000112.9E284 D287 S328 N332 T333 R336E284-Y330 HydrophobicContact CB-CD1 3.81Å; E284-Y330 HydrophobicContact CB-CD2 4.26Å; E284-Y330 HydrophobicContact CB-CE1 4.09Å; E284-Y330 HydrophobicContact CB-CE2 4.47Å; E284-Y330 HydrophobicContact CB-CG 3.9Å; E284-Y330 HydrophobicContact CG-CD1 3.98Å; E284-Y330 HydrophobicContact CG-CG 3.9Å; D287-Y330 HydrophobicContact CB-CD2 3.6Å; D287-Y330 HydrophobicContact CB-CE2 4.05Å; D287-Y330 PolarHBondContact OD2-N 2.65Å; S328-Y330 PolarHBondContact OG-N 2.9Å; Y330-N332 PolarHBondContact O-N 3.43Å; Y330-T333 PolarHBondContact O-OG1 3.03Å; Y330-R336 PolarHBondContact O-NH1 2.95Å
331Y94.2Very high94.7Very high2 Ų230.7 Ų30.71%0.00816%0.159CC..SBendtrans-72.9-15.4-180-154-100.4000113.8E230 W234 I288 L292 V324 S328 T333 R336 L340E230-Y331 WeakPolarHBondContact CG-OH 3.16Å; E230-Y331 VanDerWaalsContact OE1-CE2 3.25Å; E230-Y331 WeakPolarHBondContact OE1-CE2 3.22Å; E230-Y331 PolarHBondContact OE1-OH 2.99Å; W234-Y331 AromaticContact NE1-CE2 3.88Å; I288-Y331 HydrophobicContact CB-CD2 4.34Å; I288-Y331 HydrophobicContact CD1-CD2 4.27Å; I288-Y331 HydrophobicContact CG1-CD2 4.03Å; I288-Y331 HydrophobicContact CG2-CD2 3.5Å; I288-Y331 VanDerWaalsContact CG2-CD2 3.5Å; I288-Y331 HydrophobicContact CG2-CE2 3.98Å; I288-Y331 HydrophobicContact CG2-CG 4.5Å; L292-Y331 HydrophobicContact CD1-CD2 4.34Å; L292-Y331 HydrophobicContact CD1-CE2 3.87Å; L292-Y331 HydrophobicContact CD2-CD2 4.45Å; L292-Y331 HydrophobicContact CD2-CE1 4.15Å; L292-Y331 HydrophobicContact CD2-CE2 4.07Å; L292-Y331 HydrophobicContact CG-CE2 4.31Å; V324-Y331 HydrophobicContact CG1-CD1 3.63Å; V324-Y331 HydrophobicContact CG1-CE1 4.31Å; V324-Y331 HydrophobicContact CG1-CG 4.05Å; S328-Y331 WeakPolarHBondContact OG-CB 3.33Å; S328-Y331 PolarHBondContact OG-N 3.35Å; Y331-T333 PolarHBondContact O-N 3.49Å; Y331-R336 HydrophobicContact CD2-CB 4.31Å; Y331-R336 HydrophobicContact CE1-CB 4.38Å; Y331-R336 HydrophobicContact CE2-CB 3.94Å; Y331-R336 PolarHBondContact OH-O 3.26Å; Y331-L340 HydrophobicContact CE1-CD2 4.09Å; Y331-L340 WeakPolarHBondContact OH-CB 3.41Å
332N92.3Very high94.7Very high30 Ų3032.9 Ų32.916%0.1617%0.169CC..  trans-72.640.6-179.767.70000114.2W325 S328 R329 Y330W325-N332 HydrophobicContact CD2-CB 4.25Å; W325-N332 HydrophobicContact CE3-CB 4.29Å; W325-N332 VanDerWaalsContact CH2-O 3.27Å; W325-N332 WeakPolarHBondContact CH2-O 3.5Å; W325-N332 VanDerWaalsContact CZ3-CA 3.5Å; W325-N332 HydrophobicContact CZ3-CB 4.48Å; W325-N332 WeakPolarHBondContact O-CB 3.37Å; S328-N332 PolarHBondContact O-ND2 2.88Å; R329-N332 PolarHBondContact O-OD1 3.01Å; R329-N332 VanDerWaalsContact O-OD1 3.05Å; Y330-N332 PolarHBondContact O-N 3.43Å
333T93.3Very high94.8Very high58 Ų5833 Ų3336%0.35617%0.17SC..  trans-112.1128.7178.9-59.50000109.8W325 Y330 Y331 G335 R336 L337W325-T333 VanDerWaalsContact CZ3-N 3.33Å; Y330-T333 PolarHBondContact O-OG1 3.03Å; Y331-T333 PolarHBondContact O-N 3.49Å; T333-G335 VanDerWaalsContact C-N 3.3Å; T333-G335 PolarHBondContact O-N 3.2Å; T333-G335 VanDerWaalsContact O-N 3.17Å; T333-R336 PolarHBondContact O-N 3.17Å; T333-R336 VanDerWaalsContact O-N 3.14Å; T333-L337 PolarHBondContact O-N 3.24Å
334P93.9Very high94.9Very high39 Ų3930.9 Ų30.925%0.25316%0.159SC..Hα-helixtrans-50.4-43.5-176-32.938.3000114.8W325 R336 L337 I338 D408 F409W325-P334 HydrophobicContact CH2-CG 4.31Å; P334-R336 PolarHBondContact O-N 2.85Å; P334-L337 PolarHBondContact O-N 2.87Å; P334-I338 WeakPolarHBondContact O-CD1 3.45Å; P334-I338 WeakPolarHBondContact O-CG1 3.13Å; P334-I338 PolarHBondContact O-N 3.11Å; P334-D408 WeakPolarHBondContact CG-OD1 3.41Å; P334-F409 HydrophobicContact CB-CD1 3.89Å
335G93.4Very high95Very high40 Ų4030.8 Ų30.841%0.41216%0.158SC..Hα-helixtrans-58-43.6-179.400000113.8T333 I338 V339T333-G335 VanDerWaalsContact C-N 3.3Å; T333-G335 PolarHBondContact O-N 3.2Å; T333-G335 VanDerWaalsContact O-N 3.17Å; G335-I338 PolarHBondContact O-N 3.33Å; G335-V339 WeakPolarHBondContact O-CG2 3.28Å; G335-V339 PolarHBondContact O-N 3Å; G335-V339 VanDerWaalsContact O-N 3.07Å
336R94.2Very high95.1Very high39 Ų3931.1 Ų31.115%0.14716%0.16CC..Hα-helixtrans-67-43.3-179.9-65.4175.4179.9164.3-4.5111.7E284 Y330 Y331 T333 P334 I338 V339 L340E284-R336 IonicContact OE1-CZ 3.15Å; E284-R336 IonicContact OE1-NH1 2.81Å; E284-R336 PolarHBondContact OE1-NH1 3.05Å; E284-R336 IonicContact OE1-NH2 3.46Å; E284-R336 PolarHBondContact OE1-NH2 3.37Å; E284-R336 IonicContact OE2-NH2 3.29Å; Y330-R336 PolarHBondContact O-NH1 2.95Å; Y331-R336 HydrophobicContact CD2-CB 4.31Å; Y331-R336 HydrophobicContact CE1-CB 4.38Å; Y331-R336 HydrophobicContact CE2-CB 3.94Å; Y331-R336 PolarHBondContact OH-O 3.26Å; T333-R336 PolarHBondContact O-N 3.17Å; T333-R336 VanDerWaalsContact O-N 3.14Å; P334-R336 PolarHBondContact O-N 2.85Å; R336-I338 VanDerWaalsContact C-N 3.32Å; R336-I338 PolarHBondContact O-N 3.38Å; R336-V339 PolarHBondContact O-N 3.5Å; R336-L340 PolarHBondContact O-N 3.19Å
337L95.8Very high95.3Very high1 Ų129.8 Ų29.81%0.00515%0.149CC..Hα-helixtrans-64-39.3176.1179.761.4000111.8V321 W325 T333 P334 L340 L341 W407 F409V321-L337 HydrophobicContact CG1-CD1 3.46Å; V321-L337 VanDerWaalsContact CG1-CD1 3.46Å; W325-L337 HydrophobicContact CD2-CD2 4.21Å; W325-L337 HydrophobicContact CE3-CB 4.02Å; W325-L337 HydrophobicContact CE3-CD2 3.71Å; W325-L337 HydrophobicContact CE3-CG 4.37Å; W325-L337 HydrophobicContact CZ3-CB 3.82Å; W325-L337 HydrophobicContact CZ3-CD2 3.89Å; W325-L337 HydrophobicContact CZ3-CG 4.49Å; T333-L337 PolarHBondContact O-N 3.24Å; P334-L337 PolarHBondContact O-N 2.87Å; L337-L340 PolarHBondContact O-N 2.91Å; L337-L341 HydrophobicContact CD1-CD1 3.91Å; L337-L341 HydrophobicContact CD1-CG 3.94Å; L337-L341 HydrophobicContact CD2-CD1 4.47Å; L337-L341 HydrophobicContact CG-CD1 3.83Å; L337-L341 HydrophobicContact CG-CG 4.29Å; L337-L341 WeakPolarHBondContact O-CB 3.18Å; L337-L341 VanDerWaalsContact O-CG 3.25Å; L337-L341 WeakPolarHBondContact O-CG 3.46Å; L337-L341 PolarHBondContact O-N 3.21Å; L337-W407 HydrophobicContact CD2-CD2 3.74Å; L337-W407 HydrophobicContact CD2-CG 3.87Å; L337-W407 HydrophobicContact CD2-CZ2 3.86Å; L337-W407 VanDerWaalsContact CD2-NE1 3.25Å; L337-F409 HydrophobicContact CD2-CE1 3.87Å; L337-F409 HydrophobicContact CD2-CZ 3.89Å; L337-F409 HydrophobicContact CG-CE1 4.44Å; L337-F409 HydrophobicContact CG-CZ 4.21Å
338I96.1Very high95.5Very high22 Ų2227.9 Ų27.911%0.11314%0.139CC..Hα-helixtrans-59.3-48.9175-69.9161.7000110.1P334 G335 R336 L340 L341 Q342 F409 L413 V414P334-I338 WeakPolarHBondContact O-CD1 3.45Å; P334-I338 WeakPolarHBondContact O-CG1 3.13Å; P334-I338 PolarHBondContact O-N 3.11Å; G335-I338 PolarHBondContact O-N 3.33Å; R336-I338 VanDerWaalsContact C-N 3.32Å; R336-I338 PolarHBondContact O-N 3.38Å; I338-L340 PolarHBondContact O-N 2.61Å; I338-L341 PolarHBondContact O-N 3.48Å; I338-Q342 HydrophobicContact CG2-CG 4.19Å; I338-Q342 WeakPolarHBondContact O-CB 3.21Å; I338-Q342 VanDerWaalsContact O-CG 3.28Å; I338-Q342 WeakPolarHBondContact O-CG 3.23Å; I338-Q342 PolarHBondContact O-N 3.12Å; I338-F409 HydrophobicContact CD1-CB 3.94Å; I338-F409 HydrophobicContact CD1-CD1 4.37Å; I338-F409 HydrophobicContact CD1-CD2 3.92Å; I338-F409 HydrophobicContact CD1-CG 3.82Å; I338-F409 HydrophobicContact CG1-CD1 4.34Å; I338-F409 HydrophobicContact CG1-CD2 3.65Å; I338-F409 HydrophobicContact CG1-CE1 4.43Å; I338-F409 HydrophobicContact CG1-CE2 3.78Å; I338-F409 HydrophobicContact CG1-CG 3.94Å; I338-F409 HydrophobicContact CG1-CZ 4.17Å; I338-L413 HydrophobicContact CD1-CB 4.3Å; I338-L413 HydrophobicContact CD1-CD1 3.88Å; I338-L413 HydrophobicContact CG2-CB 4.18Å; I338-V414 HydrophobicContact CB-CG2 4.36Å; I338-V414 HydrophobicContact CG1-CG2 4.14Å; I338-V414 HydrophobicContact CG2-CG2 4.21Å
339V96.1Very high95.7Very high5 Ų527.8 Ų27.83%0.0314%0.138CC..Hα-helixtrans-56.1-53.2178.1171.50000110.8V219 E230 G335 R336 L341 Q342 E343V219-V339 HydrophobicContact CG2-CG1 4.32Å; E230-V339 WeakPolarHBondContact OE2-CG1 3.22Å; G335-V339 WeakPolarHBondContact O-CG2 3.28Å; G335-V339 PolarHBondContact O-N 3Å; G335-V339 VanDerWaalsContact O-N 3.07Å; R336-V339 PolarHBondContact O-N 3.5Å; V339-L341 VanDerWaalsContact C-N 3.33Å; V339-L341 PolarHBondContact O-N 2.86Å; V339-Q342 PolarHBondContact O-N 3.28Å; V339-E343 HydrophobicContact CG1-CG 4.38Å; V339-E343 WeakPolarHBondContact O-CB 3.32Å; V339-E343 WeakPolarHBondContact O-CG 3.37Å; V339-E343 PolarHBondContact O-N 2.92Å
340L96.9Very high95.8Very high1 Ų123.3 Ų23.31%0.00513%0.126CC..Hα-helixtrans-59.6-41.4-179.4-177.966.4000112.9P227 E230 L295 F299 V321 Y331 R336 L337 I338 E343 T344P227-L340 HydrophobicContact CB-CD1 4.25Å; E230-L340 HydrophobicContact CB-CD1 4.45Å; E230-L340 HydrophobicContact CG-CD1 4.32Å; L295-L340 HydrophobicContact CD1-CD2 4.02Å; F299-L340 HydrophobicContact CE2-CD1 3.99Å; F299-L340 HydrophobicContact CZ-CD1 3.96Å; V321-L340 HydrophobicContact CG2-CD2 4.25Å; Y331-L340 HydrophobicContact CE1-CD2 4.09Å; Y331-L340 WeakPolarHBondContact OH-CB 3.41Å; R336-L340 PolarHBondContact O-N 3.19Å; L337-L340 PolarHBondContact O-N 2.91Å; I338-L340 PolarHBondContact O-N 2.61Å; L340-E343 PolarHBondContact O-N 2.85Å; L340-T344 WeakPolarHBondContact O-CB 3.48Å; L340-T344 PolarHBondContact O-N 3.3Å; L340-T344 PolarHBondContact O-OG1 3.45Å
341L97.7Very high96Very high0 Ų020.8 Ų20.80%012%0.116CC..Hα-helixtrans-71.1-36.7178.8-68.2172.4000112M318 V321 L337 I338 V339 T344 C345 F383 Y387 F409 V414M318-L341 HydrophobicContact CE-CD2 4.13Å; M318-L341 HydrophobicContact SD-CD2 4.35Å; V321-L341 HydrophobicContact CG1-CD2 4.5Å; L337-L341 HydrophobicContact CD1-CD1 3.91Å; L337-L341 HydrophobicContact CD1-CG 3.94Å; L337-L341 HydrophobicContact CD2-CD1 4.47Å; L337-L341 HydrophobicContact CG-CD1 3.83Å; L337-L341 HydrophobicContact CG-CG 4.29Å; L337-L341 WeakPolarHBondContact O-CB 3.18Å; L337-L341 VanDerWaalsContact O-CG 3.25Å; L337-L341 WeakPolarHBondContact O-CG 3.46Å; L337-L341 PolarHBondContact O-N 3.21Å; I338-L341 PolarHBondContact O-N 3.48Å; V339-L341 VanDerWaalsContact C-N 3.33Å; V339-L341 PolarHBondContact O-N 2.86Å; L341-T344 PolarHBondContact O-N 3.44Å; L341-C345 PolarHBondContact O-N 3.19Å; L341-C345 PolarHBondContact O-SG 3.46Å; L341-F383 HydrophobicContact CD2-CZ 4.22Å; L341-Y387 HydrophobicContact CD1-CD2 3.93Å; L341-Y387 HydrophobicContact CD1-CE2 3.57Å; L341-F409 HydrophobicContact CD1-CZ 4.39Å; L341-V414 HydrophobicContact CB-CB 4.4Å; L341-V414 HydrophobicContact CB-CG1 3.41Å; L341-V414 VanDerWaalsContact CB-CG1 3.41Å; L341-V414 HydrophobicContact CB-CG2 4.06Å; L341-V414 HydrophobicContact CD1-CG1 4.31Å; L341-V414 HydrophobicContact CD1-CG2 4.07Å; L341-V414 HydrophobicContact CG-CG1 4.47Å
342Q97.3Very high96.1Very high50 Ų5020.7 Ų20.723%0.23412%0.116CC..Hα-helixtrans-63.5-45.1172.6-75.2178.9-49.700111.1V219 I338 V339 T344 C345 N346 L413V219-Q342 HydrophobicContact CG1-CB 4.46Å; I338-Q342 HydrophobicContact CG2-CG 4.19Å; I338-Q342 WeakPolarHBondContact O-CB 3.21Å; I338-Q342 VanDerWaalsContact O-CG 3.28Å; I338-Q342 WeakPolarHBondContact O-CG 3.23Å; I338-Q342 PolarHBondContact O-N 3.12Å; V339-Q342 PolarHBondContact O-N 3.28Å; Q342-T344 VanDerWaalsContact C-N 3.29Å; Q342-T344 PolarHBondContact O-N 3.36Å; Q342-C345 WeakPolarHBondContact O-CB 3.36Å; Q342-C345 PolarHBondContact O-N 2.87Å; Q342-N346 VanDerWaalsContact O-CG 3.24Å; Q342-N346 PolarHBondContact O-N 2.96Å; Q342-N346 PolarHBondContact O-ND2 3.43Å; Q342-L413 VanDerWaalsContact CD-O 3.29Å; Q342-L413 PolarHBondContact NE2-O 2.9Å
343E97.1Very high96.3Very high2 Ų222.4 Ų22.41%0.00912%0.12CC..Hα-helixtrans-61.3-39.3174.6-72.9-172.3172.200111.6V219 P225 P227 E230 V339 L340 N346 L347V219-E343 HydrophobicContact CG2-CG 4.32Å; P225-E343 HydrophobicContact CB-CG 4.29Å; P225-E343 HydrophobicContact CG-CG 3.96Å; P225-E343 WeakPolarHBondContact O-CA 3.41Å; P227-E343 VanDerWaalsContact CA-OE2 3.27Å; P227-E343 WeakPolarHBondContact CA-OE2 3.47Å; P227-E343 HydrophobicContact CB-CB 4.49Å; P227-E343 WeakPolarHBondContact CD-O 3.46Å; P227-E343 HydrophobicContact CG-CB 4.12Å; E230-E343 WeakPolarHBondContact CB-OE2 3.33Å; E230-E343 PolarHBondContact N-OE2 3.41Å; E230-E343 VanDerWaalsContact N-OE2 3.14Å; V339-E343 HydrophobicContact CG1-CG 4.38Å; V339-E343 WeakPolarHBondContact O-CB 3.32Å; V339-E343 WeakPolarHBondContact O-CG 3.37Å; V339-E343 PolarHBondContact O-N 2.92Å; L340-E343 PolarHBondContact O-N 2.85Å; E343-N346 WeakPolarHBondContact O-CB 3.27Å; E343-N346 PolarHBondContact O-N 3.16Å; E343-N346 VanDerWaalsContact O-N 3.16Å; E343-L347 PolarHBondContact O-N 3.3Å
344T97.9Very high96.4Very high3 Ų325 Ų252%0.01814%0.135CC..Hα-helixtrans-64.3-41.6174.5-55.60000111.2F299 L317 L340 L341 Q342 N346 L347 L348 F383F299-T344 HydrophobicContact CE1-CG2 4.22Å; L317-T344 HydrophobicContact CD2-CG2 3.81Å; L340-T344 WeakPolarHBondContact O-CB 3.48Å; L340-T344 PolarHBondContact O-N 3.3Å; L340-T344 PolarHBondContact O-OG1 3.45Å; L341-T344 PolarHBondContact O-N 3.44Å; Q342-T344 VanDerWaalsContact C-N 3.29Å; Q342-T344 PolarHBondContact O-N 3.36Å; T344-N346 VanDerWaalsContact C-N 3.3Å; T344-N346 PolarHBondContact O-N 2.91Å; T344-L347 PolarHBondContact O-N 3.5Å; T344-L348 WeakPolarHBondContact O-CG 3.45Å; T344-L348 PolarHBondContact O-N 2.92Å; T344-F383 HydrophobicContact CG2-CE1 4.39Å; T344-F383 HydrophobicContact CG2-CE2 3.63Å; T344-F383 HydrophobicContact CG2-CZ 3.54Å
345C97.8Very high96.6Very high2 Ų225.7 Ų25.71%0.01413%0.133CC..Hα-helixtrans-59.8-41.9172.3-65.80000111.3L341 Q342 L348 I349 L418L341-C345 PolarHBondContact O-N 3.19Å; L341-C345 PolarHBondContact O-SG 3.46Å; Q342-C345 WeakPolarHBondContact O-CB 3.36Å; Q342-C345 PolarHBondContact O-N 2.87Å; C345-L348 PolarHBondContact O-N 2.98Å; C345-I349 WeakPolarHBondContact O-CB 3.42Å; C345-I349 WeakPolarHBondContact O-CD1 3.07Å; C345-I349 WeakPolarHBondContact O-CG1 3.49Å; C345-I349 PolarHBondContact O-N 3.34Å; C345-L418 HydrophobicContact CB-CB 4.28Å
346N96.9Very high96.7Very high12 Ų1223.8 Ų23.86%0.06411%0.114CC..Hα-helixtrans-63-43.3178.8-66.5-26.8000112H224 P225 Q342 E343 T344 I349 Q350 R417H224-N346 HydrophobicContact CB-CB 4.47Å; P225-N346 VanDerWaalsContact O-CB 3.27Å; P225-N346 WeakPolarHBondContact O-CB 3.49Å; P225-N346 PolarHBondContact O-ND2 3.06Å; Q342-N346 VanDerWaalsContact O-CG 3.24Å; Q342-N346 PolarHBondContact O-N 2.96Å; Q342-N346 PolarHBondContact O-ND2 3.43Å; E343-N346 WeakPolarHBondContact O-CB 3.27Å; E343-N346 PolarHBondContact O-N 3.16Å; E343-N346 VanDerWaalsContact O-N 3.16Å; T344-N346 VanDerWaalsContact C-N 3.3Å; T344-N346 PolarHBondContact O-N 2.91Å; N346-I349 PolarHBondContact O-N 3.25Å; N346-Q350 WeakPolarHBondContact O-CB 3.46Å; N346-Q350 PolarHBondContact O-N 2.86Å; N346-R417 PolarHBondContact OD1-NH1 3.23Å
347L97.3Very high96.7Very high3 Ų324 Ų242%0.01612%0.119CC..Hα-helixtrans-58.4-49.1173.9172.361000111.5T226 P227 F299 V302 E303 E343 T344 I349 Q350 Q351T226-L347 HydrophobicContact CG2-CB 4.32Å; T226-L347 HydrophobicContact CG2-CD1 4.39Å; P227-L347 HydrophobicContact CG-CB 4.38Å; P227-L347 HydrophobicContact CG-CD2 4.21Å; F299-L347 HydrophobicContact CD1-CD2 4.12Å; V302-L347 HydrophobicContact CG1-CD2 4.15Å; E303-L347 HydrophobicContact CB-CD1 4.37Å; E303-L347 HydrophobicContact CG-CD1 3.82Å; E343-L347 PolarHBondContact O-N 3.3Å; T344-L347 PolarHBondContact O-N 3.5Å; L347-I349 VanDerWaalsContact C-N 3.33Å; L347-I349 PolarHBondContact O-N 2.94Å; L347-Q350 WeakPolarHBondContact O-CB 3.4Å; L347-Q350 PolarHBondContact O-N 3.48Å; L347-Q351 HydrophobicContact CD1-CG 4.18Å; L347-Q351 WeakPolarHBondContact O-CG 3.32Å; L347-Q351 PolarHBondContact O-N 3.46Å
348L97.9Very high96.5Very high5 Ų525.3 Ų25.33%0.02613%0.128CC..Hα-helixtrans-62.9-39.4179.3-67.4177.1000112.5V310 T344 C345 Q351 A352 L380 F383V310-L348 HydrophobicContact CG1-CD2 3.83Å; T344-L348 WeakPolarHBondContact O-CG 3.45Å; T344-L348 PolarHBondContact O-N 2.92Å; C345-L348 PolarHBondContact O-N 2.98Å; L348-Q351 PolarHBondContact O-N 2.96Å; L348-A352 VanDerWaalsContact O-CB 3.28Å; L348-A352 WeakPolarHBondContact O-CB 3.29Å; L348-A352 PolarHBondContact O-N 3.03Å; L348-L380 HydrophobicContact CB-CD2 3.79Å; L348-F383 HydrophobicContact CD1-CB 3.77Å; L348-F383 HydrophobicContact CD1-CD1 3.81Å; L348-F383 HydrophobicContact CD1-CD2 3.91Å; L348-F383 HydrophobicContact CD1-CE1 4.38Å; L348-F383 HydrophobicContact CD1-CE2 4.47Å; L348-F383 HydrophobicContact CD1-CG 3.55Å
349I97.1Very high96.1Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-66.3-41.2175.6-68.5161000110.6C345 N346 L347 A352 R353 R417 L418 F421C345-I349 WeakPolarHBondContact O-CB 3.42Å; C345-I349 WeakPolarHBondContact O-CD1 3.07Å; C345-I349 WeakPolarHBondContact O-CG1 3.49Å; C345-I349 PolarHBondContact O-N 3.34Å; N346-I349 PolarHBondContact O-N 3.25Å; L347-I349 VanDerWaalsContact C-N 3.33Å; L347-I349 PolarHBondContact O-N 2.94Å; I349-A352 PolarHBondContact O-N 2.79Å; I349-R353 HydrophobicContact CG2-CG 4.47Å; I349-R353 WeakPolarHBondContact O-CB 3.4Å; I349-R353 VanDerWaalsContact O-CG 3.27Å; I349-R353 WeakPolarHBondContact O-CG 3.43Å; I349-R353 PolarHBondContact O-N 3.49Å; I349-R417 HydrophobicContact CD1-CG 4.19Å; I349-L418 HydrophobicContact CD1-CB 4.4Å; I349-L418 HydrophobicContact CD1-CD1 3.99Å; I349-L418 HydrophobicContact CG1-CD1 3.87Å; I349-F421 HydrophobicContact CB-CD1 4.39Å; I349-F421 HydrophobicContact CD1-CB 4.35Å; I349-F421 HydrophobicContact CG1-CB 4.35Å; I349-F421 HydrophobicContact CG1-CD1 3.82Å; I349-F421 HydrophobicContact CG1-CE1 4.4Å; I349-F421 HydrophobicContact CG1-CG 4.18Å; I349-F421 HydrophobicContact CG2-CD1 4.1Å; I349-F421 HydrophobicContact CG2-CD2 4.17Å; I349-F421 HydrophobicContact CG2-CE1 4.19Å; I349-F421 HydrophobicContact CG2-CE2 4.28Å; I349-F421 HydrophobicContact CG2-CG 4.08Å; I349-F421 HydrophobicContact CG2-CZ 4.29Å
350Q95.9Very high95.9Very high101 Ų10135.2 Ų35.247%0.47217%0.173SC..Hα-helixtrans-61-48176.5-180-178.8-18.200111.1T226 N346 L347 R353 V354T226-Q350 VanDerWaalsContact CG2-OE1 3.3Å; N346-Q350 WeakPolarHBondContact O-CB 3.46Å; N346-Q350 PolarHBondContact O-N 2.86Å; L347-Q350 WeakPolarHBondContact O-CB 3.4Å; L347-Q350 PolarHBondContact O-N 3.48Å; Q350-R353 PolarHBondContact O-N 2.81Å; Q350-V354 WeakPolarHBondContact O-CG2 3.33Å; Q350-V354 PolarHBondContact O-N 3.25Å
351Q96.4Very high95.8Very high21 Ų2135.2 Ų35.210%0.09817%0.173CC..Hα-helixtrans-65.1-40.9177.7-68.3-170.9-57.800112.5V302 E303 F307 L347 L348 R353 V354 Y355V302-Q351 PolarHBondContact O-NE2 3.5Å; E303-Q351 PolarHBondContact O-NE2 2.99Å; F307-Q351 HydrophobicContact CD2-CB 3.55Å; F307-Q351 HydrophobicContact CE2-CB 4.06Å; F307-Q351 HydrophobicContact CG-CB 4.35Å; L347-Q351 HydrophobicContact CD1-CG 4.18Å; L347-Q351 WeakPolarHBondContact O-CG 3.32Å; L347-Q351 PolarHBondContact O-N 3.46Å; L348-Q351 PolarHBondContact O-N 2.96Å; Q351-R353 VanDerWaalsContact C-N 3.31Å; Q351-R353 PolarHBondContact O-N 3.41Å; Q351-V354 PolarHBondContact O-N 3.47Å; Q351-Y355 WeakPolarHBondContact O-CB 3.36Å; Q351-Y355 PolarHBondContact O-N 3.3Å
352A97.6Very high95.5Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-58.6-43.2174.300000111.7F307 L348 I349 Y355 L356 F421F307-A352 HydrophobicContact CE1-CB 3.72Å; F307-A352 HydrophobicContact CE2-CB 4.1Å; F307-A352 HydrophobicContact CZ-CB 3.5Å; F307-A352 VanDerWaalsContact CZ-CB 3.5Å; L348-A352 VanDerWaalsContact O-CB 3.28Å; L348-A352 WeakPolarHBondContact O-CB 3.29Å; L348-A352 PolarHBondContact O-N 3.03Å; I349-A352 PolarHBondContact O-N 2.79Å; A352-Y355 PolarHBondContact O-N 3.4Å; A352-L356 VanDerWaalsContact O-CB 3.31Å; A352-L356 WeakPolarHBondContact O-CB 3.47Å; A352-L356 WeakPolarHBondContact O-CD1 3.31Å; A352-L356 WeakPolarHBondContact O-CG 3.25Å; A352-L356 PolarHBondContact O-N 2.64Å; A352-F421 HydrophobicContact CB-CE1 3.79Å; A352-F421 HydrophobicContact CB-CZ 4.18Å
353R96.3Very high95.2Very high67 Ų6737.4 Ų37.425%0.25319%0.19SC..Hα-helixtrans-64.6-41.6177.5-74.2175.459.890.87.9112.2I349 Q350 Q351 Y355 L356 V357 F421 D478 L480I349-R353 HydrophobicContact CG2-CG 4.47Å; I349-R353 WeakPolarHBondContact O-CB 3.4Å; I349-R353 VanDerWaalsContact O-CG 3.27Å; I349-R353 WeakPolarHBondContact O-CG 3.43Å; I349-R353 PolarHBondContact O-N 3.49Å; Q350-R353 PolarHBondContact O-N 2.81Å; Q351-R353 VanDerWaalsContact C-N 3.31Å; Q351-R353 PolarHBondContact O-N 3.41Å; R353-Y355 VanDerWaalsContact C-N 3.32Å; R353-Y355 PolarHBondContact O-N 2.87Å; R353-L356 PolarHBondContact O-N 3.36Å; R353-V357 PolarHBondContact O-N 2.95Å; R353-F421 HydrophobicContact CG-CE2 3.97Å; R353-F421 HydrophobicContact CG-CZ 3.85Å; R353-D478 IonicContact CZ-OD2 3.01Å; R353-D478 IonicContact NH1-OD1 2.66Å; R353-D478 IonicContact NH1-OD2 3.16Å; R353-D478 PolarHBondContact NH1-OD2 3.35Å; R353-D478 IonicContact NH2-OD2 3.71Å; R353-D478 PolarHBondContact NH2-OD2 3.23Å; R353-L480 HydrophobicContact CG-CD1 4.36Å; R353-L480 PolarHBondContact NH1-O 3.18Å
354V95.9Very high94.9Very high111 Ų11138.8 Ų38.867%0.67320%0.204SC*.Hα-helixtrans-61.5-42.2174.6172.20000111.1Q350 Q351Q350-V354 WeakPolarHBondContact O-CG2 3.33Å; Q350-V354 PolarHBondContact O-N 3.25Å; Q351-V354 PolarHBondContact O-N 3.47Å
355Y96.9Very high94.7Very high54 Ų5443.7 Ų43.721%0.21223%0.227CC..Hα-helixtrans-69.9-37.3179.3177.3-111.8000113.7F307 P308 Q351 A352 R353 R372F307-Y355 HydrophobicContact CB-CD2 4.31Å; F307-Y355 HydrophobicContact CB-CG 4Å; F307-Y355 AromaticContact CD1-CD1 3.64Å; F307-Y355 HydrophobicContact CD1-CD1 3.64Å; F307-Y355 HydrophobicContact CD1-CE1 4.35Å; F307-Y355 AromaticContact CD1-CG 3.88Å; F307-Y355 HydrophobicContact CD1-CG 3.88Å; F307-Y355 HydrophobicContact CE1-CD1 4.38Å; F307-Y355 HydrophobicContact CG-CG 4.39Å; P308-Y355 HydrophobicContact CG-CD2 4.48Å; P308-Y355 HydrophobicContact CG-CE1 4.45Å; P308-Y355 HydrophobicContact CG-CE2 3.76Å; Q351-Y355 WeakPolarHBondContact O-CB 3.36Å; Q351-Y355 PolarHBondContact O-N 3.3Å; A352-Y355 PolarHBondContact O-N 3.4Å; R353-Y355 VanDerWaalsContact C-N 3.32Å; R353-Y355 PolarHBondContact O-N 2.87Å; Y355-R372 HydrophobicContact CD1-CB 4.25Å; Y355-R372 HydrophobicContact CE1-CB 3.59Å; Y355-R372 HydrophobicContact CE1-CG 3.8Å; Y355-R372 HydrophobicContact CE2-CG 4.39Å
356L96.5Very high94.4Very high1 Ų144.1 Ų44.11%0.00523%0.23CC..Hα-helixtrans-78.7-31-178.2-71.9168.3000113.3A352 R353 V361 R372 V373 F421 L425 L480A352-L356 VanDerWaalsContact O-CB 3.31Å; A352-L356 WeakPolarHBondContact O-CB 3.47Å; A352-L356 WeakPolarHBondContact O-CD1 3.31Å; A352-L356 WeakPolarHBondContact O-CG 3.25Å; A352-L356 PolarHBondContact O-N 2.64Å; R353-L356 PolarHBondContact O-N 3.36Å; L356-V361 HydrophobicContact CD2-CG2 4.28Å; L356-R372 HydrophobicContact CD2-CB 3.91Å; L356-V373 HydrophobicContact CD2-CB 4.33Å; L356-V373 HydrophobicContact CD2-CG2 3.62Å; L356-F421 HydrophobicContact CD1-CZ 4.47Å; L356-L425 HydrophobicContact CD1-CD1 4.31Å; L356-L425 HydrophobicContact CD1-CD2 3.47Å; L356-L425 VanDerWaalsContact CD1-CD2 3.47Å; L356-L480 HydrophobicContact CB-CD1 3.78Å; L356-L480 HydrophobicContact CD1-CD1 4.16Å; L356-L480 HydrophobicContact CD1-CD2 4.1Å
357V94.1Very high94.3Very high42 Ų4245.7 Ų45.726%0.25524%0.244SC..  trans57.896.2-174.3-172.10000110.9R353 E359 E360 V361R353-V357 PolarHBondContact O-N 2.95Å; V357-E359 PolarHBondContact O-N 3.49Å; V357-E360 HydrophobicContact CB-CB 4.19Å; V357-E360 HydrophobicContact CB-CG 4.42Å; V357-E360 HydrophobicContact CG1-CB 4.04Å; V357-E360 HydrophobicContact CG1-CG 3.78Å; V357-E360 PolarHBondContact O-N 2.91Å; V357-V361 PolarHBondContact O-N 3.28Å; V357-V361 VanDerWaalsContact O-N 3.08Å
358P90.3Very high94.3Very high29 Ų2951.2 Ų51.219%0.18827%0.27CS..THydrogen-bonded Turntrans-49.6-36.5-173.8-25.429.7000115.1D478 L480P358-D478 WeakPolarHBondContact CB-OD1 3.39Å; P358-L480 HydrophobicContact CB-CD1 4.17Å; P358-L480 HydrophobicContact CG-CD1 3.99Å
359E89.3Confident94.2Very high140 Ų14051 Ų5165%0.65427%0.269SS*.THydrogen-bonded Turntrans-74-26.5-176.4-59.379-174.100112.8V357 T363V357-E359 PolarHBondContact O-N 3.49Å; E359-T363 PolarHBondContact O-OG1 2.65Å
360E91.1Very high94.2Very high95 Ų9552.8 Ų52.844%0.44428%0.278SS..THydrogen-bonded Turntrans-105.8-18.9-172.4-64.4-178.1-178.600113.3V357 L362 T363 G364V357-E360 HydrophobicContact CB-CB 4.19Å; V357-E360 HydrophobicContact CB-CG 4.42Å; V357-E360 HydrophobicContact CG1-CB 4.04Å; V357-E360 HydrophobicContact CG1-CG 3.78Å; V357-E360 PolarHBondContact O-N 2.91Å; E360-L362 VanDerWaalsContact C-N 3.25Å; E360-L362 PolarHBondContact O-N 3.19Å; E360-L362 VanDerWaalsContact O-N 3.14Å; E360-T363 WeakPolarHBondContact CA-OG1 3.35Å; E360-T363 PolarHBondContact O-N 2.83Å; E360-G364 WeakPolarHBondContact O-CA 3.31Å; E360-G364 PolarHBondContact O-N 2.88Å
361V94Very high94.3Very high1 Ų152.3 Ų52.31%0.00628%0.282CS..THydrogen-bonded Turntrans-59.5-33.8-169.368.90000113.5L356 V357 S369 V373 I428 C479 L480L356-V361 HydrophobicContact CD2-CG2 4.28Å; V357-V361 PolarHBondContact O-N 3.28Å; V357-V361 VanDerWaalsContact O-N 3.08Å; V361-S369 WeakPolarHBondContact O-CB 3.43Å; V361-S369 PolarHBondContact O-OG 3.38Å; V361-V373 HydrophobicContact CG2-CG2 3.82Å; V361-I428 HydrophobicContact CG2-CG2 4Å; V361-C479 WeakPolarHBondContact CG1-SG 3.26Å; V361-L480 HydrophobicContact CG1-CG 4.39Å
362L92.9Very high94.4Very high13 Ų1353.4 Ų53.47%0.06829%0.286CS..THydrogen-bonded Turntrans-104.1-21.6176.4-71.4173.2000114E360 I428 V431 L432 Y469 F472 T473 C479 F487E360-L362 VanDerWaalsContact C-N 3.25Å; E360-L362 PolarHBondContact O-N 3.19Å; E360-L362 VanDerWaalsContact O-N 3.14Å; L362-I428 HydrophobicContact CD2-CG2 3.98Å; L362-V431 HydrophobicContact CD2-CG1 4.08Å; L362-L432 HydrophobicContact CD2-CD2 4.23Å; L362-L432 HydrophobicContact CD2-CG 4.32Å; L362-Y469 PolarHBondContact O-OH 2.67Å; L362-F472 HydrophobicContact CD1-CE1 3.88Å; L362-F472 HydrophobicContact CD1-CZ 4.29Å; L362-F472 HydrophobicContact CD2-CE1 4.42Å; L362-T473 HydrophobicContact CB-CG2 4.01Å; L362-C479 HydrophobicContact CD1-CB 3.82Å; L362-F487 HydrophobicContact CD1-CE2 4.06Å
363T90.5Very high94.4Very high84 Ų8453.4 Ų53.452%0.51529%0.286SS..THydrogen-bonded Turntrans-103.2-22.1-17261.40000113.6E359 E360E359-T363 PolarHBondContact O-OG1 2.65Å; E360-T363 WeakPolarHBondContact CA-OG1 3.35Å; E360-T363 PolarHBondContact O-N 2.83Å
364G89.8Confident94.5Very high30 Ų3054.4 Ų54.431%0.30929%0.293SS..SBendtrans-78.3-154.6178.100000112.7E360 P366E360-G364 WeakPolarHBondContact O-CA 3.31Å; E360-G364 PolarHBondContact O-N 2.88Å; G364-P366 WeakPolarHBondContact O-CD 3.21Å
365E94Very high94.6Very high107 Ų10750.5 Ų50.550%0.527%0.269SS..  trans-72.8109.7-179.3-177.754.5-136.100111.3A367 E368 S369E365-A367 VanDerWaalsContact C-N 3.34Å; E365-A367 PolarHBondContact O-N 3.24Å; E365-E368 HydrophobicContact CB-CB 4.26Å; E365-E368 HydrophobicContact CB-CG 4.27Å; E365-E368 HydrophobicContact CG-CB 4.24Å; E365-E368 HydrophobicContact CG-CG 3.87Å; E365-E368 PolarHBondContact O-N 2.7Å; E365-E368 VanDerWaalsContact O-N 3.17Å; E365-S369 PolarHBondContact O-N 2.88Å; E365-S369 PolarHBondContact O-OG 3.32Å
366P92.6Very high94.7Very high11 Ų1148 Ų487%0.07126%0.259CS..Hα-helixtrans-66.1-32.5-167-27.240.6000114G364 L370 L432 Y435 L436G364-P366 WeakPolarHBondContact O-CD 3.21Å; P366-L370 VanDerWaalsContact O-CB 3.25Å; P366-L370 WeakPolarHBondContact O-CB 3.28Å; P366-L370 PolarHBondContact O-N 3.11Å; P366-L432 HydrophobicContact CB-CD2 4Å; P366-Y435 HydrophobicContact CB-CD1 3.75Å; P366-Y435 HydrophobicContact CB-CE1 3.99Å; P366-Y435 HydrophobicContact CG-CD1 3.75Å; P366-Y435 HydrophobicContact CG-CE1 3.5Å; P366-L436 HydrophobicContact CB-CD2 4.13Å; P366-L436 HydrophobicContact CB-CG 4.46Å
367A94.8Very high94.7Very high44 Ų4448 Ų4836%0.36426%0.259SS..Hα-helixtrans-66.3-43176.700000111.7E365 V371 L436E365-A367 VanDerWaalsContact C-N 3.34Å; E365-A367 PolarHBondContact O-N 3.24Å; A367-V371 WeakPolarHBondContact O-CG2 3.25Å; A367-V371 PolarHBondContact O-N 3.24Å; A367-L436 HydrophobicContact CB-CD1 4.49Å; A367-L436 HydrophobicContact CB-CD2 4.26Å
368E96.1Very high95Very high119 Ų11949.5 Ų49.556%0.55626%0.264SS*.Hα-helixtrans-70.3-43.6176.8-65.6-174.7173.700111.5E365 L370 V371 R372E365-E368 HydrophobicContact CB-CB 4.26Å; E365-E368 HydrophobicContact CB-CG 4.27Å; E365-E368 HydrophobicContact CG-CB 4.24Å; E365-E368 HydrophobicContact CG-CG 3.87Å; E365-E368 PolarHBondContact O-N 2.7Å; E365-E368 VanDerWaalsContact O-N 3.17Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.32Å; E368-V371 PolarHBondContact O-N 2.87Å; E368-R372 WeakPolarHBondContact O-CG 3.41Å; E368-R372 PolarHBondContact O-N 3.06Å
369S96.6Very high95.3Very high1 Ų148.1 Ų48.11%0.00726%0.255CS..Hα-helixtrans-58.7-40.3175-680000111.7V361 E365 V371 R372 V373V361-S369 WeakPolarHBondContact O-CB 3.43Å; V361-S369 PolarHBondContact O-OG 3.38Å; E365-S369 PolarHBondContact O-N 2.88Å; E365-S369 PolarHBondContact O-OG 3.32Å; S369-V371 VanDerWaalsContact C-N 3.35Å; S369-V371 PolarHBondContact O-N 3.49Å; S369-R372 PolarHBondContact O-N 2.8Å; S369-V373 VanDerWaalsContact O-CG2 3.29Å; S369-V373 WeakPolarHBondContact O-CG2 3.37Å; S369-V373 PolarHBondContact O-N 3.15Å
370L97.4Very high95.8Very high37 Ų3741.5 Ų41.519%0.19422%0.224CC..Hα-helixtrans-62.6-41177.2-176.662.5000112P366 E368 V373 H374 K429 L432 L436P366-L370 VanDerWaalsContact O-CB 3.25Å; P366-L370 WeakPolarHBondContact O-CB 3.28Å; P366-L370 PolarHBondContact O-N 3.11Å; E368-L370 VanDerWaalsContact C-N 3.28Å; E368-L370 PolarHBondContact O-N 3.32Å; L370-V373 PolarHBondContact O-N 2.79Å; L370-H374 WeakPolarHBondContact O-CB 3.47Å; L370-H374 PolarHBondContact O-N 3.43Å; L370-K429 HydrophobicContact CD1-CB 4.36Å; L370-K429 HydrophobicContact CD1-CG 3.7Å; L370-L432 HydrophobicContact CB-CB 4.32Å; L370-L432 HydrophobicContact CB-CD1 4.37Å; L370-L432 HydrophobicContact CD1-CB 4.06Å; L370-L436 HydrophobicContact CD2-CD1 3.62Å
371V97.4Very high96.1Very high92 Ų9242.2 Ų42.256%0.55822%0.222SC*.Hα-helixtrans-63.7-42.7174.7173.50000111.1A367 E368 S369 H374 T375A367-V371 WeakPolarHBondContact O-CG2 3.25Å; A367-V371 PolarHBondContact O-N 3.24Å; E368-V371 PolarHBondContact O-N 2.87Å; S369-V371 VanDerWaalsContact C-N 3.35Å; S369-V371 PolarHBondContact O-N 3.49Å; V371-H374 PolarHBondContact O-N 3.17Å; V371-T375 WeakPolarHBondContact O-CB 3.3Å; V371-T375 PolarHBondContact O-N 3.26Å; V371-T375 PolarHBondContact O-OG1 3.5Å
372R97.6Very high96.3Very high44 Ų4443.9 Ų43.917%0.16623%0.231CC..Hα-helixtrans-62.5-44.7176.4-68.7-173.6-100.8175.9-7.8112Y355 L356 E368 S369 T375 S376Y355-R372 HydrophobicContact CD1-CB 4.25Å; Y355-R372 HydrophobicContact CE1-CB 3.59Å; Y355-R372 HydrophobicContact CE1-CG 3.8Å; Y355-R372 HydrophobicContact CE2-CG 4.39Å; L356-R372 HydrophobicContact CD2-CB 3.91Å; E368-R372 WeakPolarHBondContact O-CG 3.41Å; E368-R372 PolarHBondContact O-N 3.06Å; S369-R372 PolarHBondContact O-N 2.8Å; R372-T375 PolarHBondContact O-N 3.18Å; R372-S376 WeakPolarHBondContact O-CB 3.34Å; R372-S376 PolarHBondContact O-N 3.38Å; R372-S376 PolarHBondContact O-OG 3.46Å
373V98.3Very high96.6Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-63.3-43.8176.2173.20000111.1L356 V361 S369 L370 S376 L377 L425 I428 K429 L432L356-V373 HydrophobicContact CD2-CB 4.33Å; L356-V373 HydrophobicContact CD2-CG2 3.62Å; V361-V373 HydrophobicContact CG2-CG2 3.82Å; S369-V373 VanDerWaalsContact O-CG2 3.29Å; S369-V373 WeakPolarHBondContact O-CG2 3.37Å; S369-V373 PolarHBondContact O-N 3.15Å; L370-V373 PolarHBondContact O-N 2.79Å; V373-S376 PolarHBondContact O-N 2.89Å; V373-L377 HydrophobicContact CG1-CD1 3.94Å; V373-L377 WeakPolarHBondContact O-CG 3.4Å; V373-L377 PolarHBondContact O-N 2.92Å; V373-L425 HydrophobicContact CG1-CB 4.34Å; V373-L425 WeakPolarHBondContact CG1-O 3.37Å; V373-I428 HydrophobicContact CG2-CG2 3.92Å; V373-K429 HydrophobicContact CG1-CB 3.82Å; V373-L432 HydrophobicContact CG2-CD1 4.21Å
374H98.2Very high96.9Very high88 Ų8843.9 Ų43.941%0.40722%0.221SC..Hα-helixtrans-60-48.6176.6-167.578.2000111.8L370 V371 S376 L377 E378L370-H374 WeakPolarHBondContact O-CB 3.47Å; L370-H374 PolarHBondContact O-N 3.43Å; V371-H374 PolarHBondContact O-N 3.17Å; H374-S376 VanDerWaalsContact C-N 3.26Å; H374-S376 PolarHBondContact O-N 2.87Å; H374-L377 PolarHBondContact O-N 3.4Å; H374-E378 IonicContact CD2-OE1 2.83Å; H374-E378 PolarHBondContact CD2-OE1 3.48Å; H374-E378 IonicContact NE2-OE1 3.7Å; H374-E378 PolarHBondContact NE2-OE1 3.4Å; H374-E378 WeakPolarHBondContact O-CG 3.28Å; H374-E378 PolarHBondContact O-N 2.77Å
375T98.1Very high97.3Very high29 Ų2945 Ų4518%0.17822%0.224CC..Hα-helixtrans-58.5-41.5177.4-56.90000110.9P308 V371 R372 E378 V379P308-T375 HydrophobicContact CB-CG2 3.87Å; P308-T375 HydrophobicContact CG-CG2 3.99Å; V371-T375 WeakPolarHBondContact O-CB 3.3Å; V371-T375 PolarHBondContact O-N 3.26Å; V371-T375 PolarHBondContact O-OG1 3.5Å; R372-T375 PolarHBondContact O-N 3.18Å; T375-E378 WeakPolarHBondContact O-CB 3.48Å; T375-E378 PolarHBondContact O-N 2.62Å; T375-V379 WeakPolarHBondContact O-CG2 3.17Å; T375-V379 PolarHBondContact O-N 3.11Å; T375-V379 VanDerWaalsContact O-N 3.08Å
376S98.3Very high97.5Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-63.8-46.9177.1-55.40000112.7F307 R372 V373 H374 E378 V379 L380F307-S376 WeakPolarHBondContact CE1-OG 3.45Å; R372-S376 WeakPolarHBondContact O-CB 3.34Å; R372-S376 PolarHBondContact O-N 3.38Å; R372-S376 PolarHBondContact O-OG 3.46Å; V373-S376 PolarHBondContact O-N 2.89Å; H374-S376 VanDerWaalsContact C-N 3.26Å; H374-S376 PolarHBondContact O-N 2.87Å; S376-E378 VanDerWaalsContact C-N 3.29Å; S376-E378 PolarHBondContact O-N 3.11Å; S376-V379 PolarHBondContact O-N 3.28Å; S376-L380 WeakPolarHBondContact O-CG 3.48Å; S376-L380 PolarHBondContact O-N 3.39Å
377L98.5Very high97.7Very high1 Ų139.6 Ų39.61%0.00520%0.198CC..Hα-helixtrans-59.3-40.5175.2-76164.2000111.9V373 H374 R381 I422 L425 E426 K429V373-L377 HydrophobicContact CG1-CD1 3.94Å; V373-L377 WeakPolarHBondContact O-CG 3.4Å; V373-L377 PolarHBondContact O-N 2.92Å; H374-L377 PolarHBondContact O-N 3.4Å; L377-R381 WeakPolarHBondContact O-CB 3.24Å; L377-R381 WeakPolarHBondContact O-CD 3.29Å; L377-R381 WeakPolarHBondContact O-CG 3.33Å; L377-R381 PolarHBondContact O-N 3.11Å; L377-I422 HydrophobicContact CD2-CG2 3.89Å; L377-L425 HydrophobicContact CD1-CB 4.37Å; L377-L425 HydrophobicContact CD2-CB 3.67Å; L377-L425 HydrophobicContact CD2-CD1 4.35Å; L377-L425 HydrophobicContact CG-CB 3.93Å; L377-L425 HydrophobicContact CG-CD1 4.36Å; L377-E426 HydrophobicContact CD1-CG 4.33Å; L377-E426 WeakPolarHBondContact CD1-OE1 3.3Å; L377-E426 HydrophobicContact CD2-CG 4.02Å; L377-K429 HydrophobicContact CD1-CB 4.36Å; L377-K429 HydrophobicContact CD1-CD 3.67Å
378E98.3Very high97.8Very high74 Ų7440.9 Ų40.935%0.34620%0.197SC..Hα-helixtrans-60.7-49.3176.2-74-170.5-175.200112.4K311 H374 T375 S376 L382K311-E378 IonicContact NZ-OE2 3.19Å; K311-E378 PolarHBondContact NZ-OE2 2.9Å; H374-E378 IonicContact CD2-OE1 2.83Å; H374-E378 PolarHBondContact CD2-OE1 3.48Å; H374-E378 IonicContact NE2-OE1 3.7Å; H374-E378 PolarHBondContact NE2-OE1 3.4Å; H374-E378 WeakPolarHBondContact O-CG 3.28Å; H374-E378 PolarHBondContact O-N 2.77Å; T375-E378 WeakPolarHBondContact O-CB 3.48Å; T375-E378 PolarHBondContact O-N 2.62Å; S376-E378 VanDerWaalsContact C-N 3.29Å; S376-E378 PolarHBondContact O-N 3.11Å; E378-L382 VanDerWaalsContact O-CB 3.24Å; E378-L382 WeakPolarHBondContact O-CB 3.42Å; E378-L382 PolarHBondContact O-N 2.91Å
379V98.4Very high97.8Very high1 Ų139.9 Ų39.91%0.00620%0.195CC..Hα-helixtrans-62-48.8-178.8171.50000110.8F307 V310 K311 I314 T375 S376 R381 L382 F383F307-V379 HydrophobicContact CE1-CB 4.45Å; F307-V379 HydrophobicContact CE2-CG1 3.83Å; F307-V379 HydrophobicContact CZ-CB 4.01Å; F307-V379 HydrophobicContact CZ-CG1 3.8Å; V310-V379 HydrophobicContact CG1-CG1 4.46Å; K311-V379 HydrophobicContact CB-CG2 4.19Å; I314-V379 HydrophobicContact CD1-CG1 3.84Å; I314-V379 WeakPolarHBondContact CD1-O 3.36Å; T375-V379 WeakPolarHBondContact O-CG2 3.17Å; T375-V379 PolarHBondContact O-N 3.11Å; T375-V379 VanDerWaalsContact O-N 3.08Å; S376-V379 PolarHBondContact O-N 3.28Å; V379-R381 PolarHBondContact O-N 3.22Å; V379-L382 WeakPolarHBondContact O-CB 3.29Å; V379-L382 PolarHBondContact O-N 3.12Å; V379-F383 PolarHBondContact O-N 2.93Å
380L98.3Very high97.7Very high0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-66.1-40.3-177.9-59.2171.3000111.8F307 L348 S376 F383 R384 L418 F421 I422 L425F307-L380 HydrophobicContact CZ-CD2 4.4Å; L348-L380 HydrophobicContact CB-CD2 3.79Å; S376-L380 WeakPolarHBondContact O-CG 3.48Å; S376-L380 PolarHBondContact O-N 3.39Å; L380-F383 PolarHBondContact O-N 2.75Å; L380-R384 PolarHBondContact O-N 2.97Å; L380-L418 HydrophobicContact CB-CD1 4.26Å; L380-L418 HydrophobicContact CD2-CD1 3.75Å; L380-L418 HydrophobicContact CG-CD1 4.37Å; L380-F421 HydrophobicContact CD1-CD1 3.73Å; L380-F421 HydrophobicContact CD1-CE1 3.82Å; L380-I422 HydrophobicContact CB-CD1 4Å; L380-I422 HydrophobicContact CB-CG1 4Å; L380-I422 HydrophobicContact CD1-CG1 4.12Å; L380-L425 HydrophobicContact CD1-CD1 3.81Å
381R98.2Very high97.6Very high110 Ų11042.8 Ų42.842%0.41521%0.205SC..Hα-helixtrans-67.3-36.4174.3-75.1173.7169.3147.42.3112.6L377 V379 F383 R384 S385 E426L377-R381 WeakPolarHBondContact O-CB 3.24Å; L377-R381 WeakPolarHBondContact O-CD 3.29Å; L377-R381 WeakPolarHBondContact O-CG 3.33Å; L377-R381 PolarHBondContact O-N 3.11Å; V379-R381 PolarHBondContact O-N 3.22Å; R381-F383 VanDerWaalsContact C-N 3.31Å; R381-F383 PolarHBondContact O-N 3.39Å; R381-R384 PolarHBondContact O-N 3.39Å; R381-S385 PolarHBondContact O-N 3.43Å; R381-S385 PolarHBondContact O-OG 2.95Å; R381-E426 IonicContact CZ-OE1 2.73Å; R381-E426 IonicContact NH1-OE1 3.46Å; R381-E426 PolarHBondContact NH1-OE1 2.86Å; R381-E426 VanDerWaalsContact NH2-CD 3.33Å; R381-E426 IonicContact NH2-OE1 2.7Å; R381-E426 PolarHBondContact NH2-OE1 3.23Å
382L98.3Very high97.4Very high37 Ų3742.3 Ų42.319%0.19421%0.21CC..Hα-helixtrans-62.5-40.5175.5179.263.2000111K311 I314 E378 V379 S385 T386K311-L382 HydrophobicContact CB-CD2 4.47Å; K311-L382 HydrophobicContact CG-CD2 3.48Å; K311-L382 VanDerWaalsContact CG-CD2 3.48Å; I314-L382 HydrophobicContact CB-CD2 4.42Å; I314-L382 HydrophobicContact CD1-CB 4.13Å; I314-L382 HydrophobicContact CD1-CD2 3.97Å; I314-L382 HydrophobicContact CD1-CG 4.09Å; I314-L382 HydrophobicContact CG2-CG 4.16Å; E378-L382 VanDerWaalsContact O-CB 3.24Å; E378-L382 WeakPolarHBondContact O-CB 3.42Å; E378-L382 PolarHBondContact O-N 2.91Å; V379-L382 WeakPolarHBondContact O-CB 3.29Å; V379-L382 PolarHBondContact O-N 3.12Å; L382-S385 PolarHBondContact O-OG 3.16Å; L382-T386 WeakPolarHBondContact O-CB 3.46Å; L382-T386 PolarHBondContact O-N 3.3Å; L382-T386 PolarHBondContact O-OG1 2.91Å
383F98.4Very high97.2Very high2 Ų243.2 Ų43.21%0.00922%0.218CC..Hα-helixtrans-60-47.4173.7-178.4-109000111.6I314 M318 L341 T344 L348 V379 L380 R381 T386 Y387 F415 L418I314-F383 HydrophobicContact CD1-CB 4.27Å; I314-F383 HydrophobicContact CG2-CB 4.27Å; I314-F383 HydrophobicContact CG2-CD2 4.18Å; M318-F383 HydrophobicContact CE-CD2 4.04Å; M318-F383 HydrophobicContact CE-CE2 3.43Å; M318-F383 VanDerWaalsContact CE-CE2 3.43Å; M318-F383 HydrophobicContact CE-CZ 3.8Å; L341-F383 HydrophobicContact CD2-CZ 4.22Å; T344-F383 HydrophobicContact CG2-CE1 4.39Å; T344-F383 HydrophobicContact CG2-CE2 3.63Å; T344-F383 HydrophobicContact CG2-CZ 3.54Å; L348-F383 HydrophobicContact CD1-CB 3.77Å; L348-F383 HydrophobicContact CD1-CD1 3.81Å; L348-F383 HydrophobicContact CD1-CD2 3.91Å; L348-F383 HydrophobicContact CD1-CE1 4.38Å; L348-F383 HydrophobicContact CD1-CE2 4.47Å; L348-F383 HydrophobicContact CD1-CG 3.55Å; V379-F383 PolarHBondContact O-N 2.93Å; L380-F383 PolarHBondContact O-N 2.75Å; R381-F383 VanDerWaalsContact C-N 3.31Å; R381-F383 PolarHBondContact O-N 3.39Å; F383-T386 PolarHBondContact O-N 3.49Å; F383-Y387 PolarHBondContact O-N 2.92Å; F383-F415 AromaticContact CD1-CE1 3.91Å; F383-F415 HydrophobicContact CD1-CE1 3.91Å; F383-F415 AromaticContact CE1-CE1 3.68Å; F383-F415 HydrophobicContact CE1-CE1 3.68Å; F383-F415 HydrophobicContact CE1-CZ 4.34Å; F383-L418 HydrophobicContact CD1-CD2 4.24Å
384R97.3Very high96.9Very high95 Ų9543.7 Ų43.736%0.35822%0.221SC..Hα-helixtrans-61.9-47178.1-173.7176.4-175.91708.8112.8L380 R381 Y387 E388 D419L380-R384 PolarHBondContact O-N 2.97Å; R381-R384 PolarHBondContact O-N 3.39Å; R384-Y387 WeakPolarHBondContact O-CB 3.42Å; R384-Y387 PolarHBondContact O-N 3.48Å; R384-E388 PolarHBondContact O-N 2.89Å; R384-D419 IonicContact CZ-OD1 3.15Å; R384-D419 IonicContact CZ-OD2 3.37Å; R384-D419 IonicContact NE-OD1 3.49Å; R384-D419 IonicContact NH1-OD1 3.59Å; R384-D419 PolarHBondContact NH1-OD1 2.98Å; R384-D419 IonicContact NH1-OD2 2.75Å; R384-D419 PolarHBondContact NH1-OD2 3.45Å; R384-D419 IonicContact NH2-OD1 2.66Å; R384-D419 IonicContact NH2-OD2 3.1Å; R384-D419 PolarHBondContact NH2-OD2 3.12Å
385S97.6Very high96.5Very high54 Ų5448.8 Ų48.838%0.37824%0.237SC..Hα-helixtrans-67.6-39.3179.262.90000111.9R381 L382 Y387 E388 D389R381-S385 PolarHBondContact O-N 3.43Å; R381-S385 PolarHBondContact O-OG 2.95Å; L382-S385 PolarHBondContact O-OG 3.16Å; S385-Y387 VanDerWaalsContact C-N 3.32Å; S385-Y387 PolarHBondContact O-N 2.79Å; S385-E388 PolarHBondContact O-N 3.45Å; S385-D389 WeakPolarHBondContact O-CB 3.32Å; S385-D389 PolarHBondContact O-N 2.72Å
386T97.9Very high96.1Very high4 Ų454.9 Ų54.93%0.02526%0.261CS..Hα-helixtrans-62.7-39.4175.8-57.10000111.1I314 K315 M318 L382 F383 H390I314-T386 HydrophobicContact CG2-CG2 4.22Å; K315-T386 HydrophobicContact CG-CG2 4.15Å; M318-T386 HydrophobicContact CB-CG2 3.72Å; M318-T386 HydrophobicContact CG-CG2 4Å; L382-T386 WeakPolarHBondContact O-CB 3.46Å; L382-T386 PolarHBondContact O-N 3.3Å; L382-T386 PolarHBondContact O-OG1 2.91Å; F383-T386 PolarHBondContact O-N 3.49Å; T386-H390 WeakPolarHBondContact O-CB 3.49Å; T386-H390 PolarHBondContact O-CD2 3.09Å; T386-H390 PolarHBondContact O-N 3.31Å
387Y97.7Very high95.7Very high0 Ų056.1 Ų56.10%027%0.266CS..Hα-helixtrans-57.2-50.5172166.7-90.2000111.7M318 L341 F383 R384 S385 D389 H390 R391 W407 F409 P411 F415M318-Y387 HydrophobicContact CE-CD2 4.34Å; M318-Y387 HydrophobicContact SD-CD2 4.4Å; L341-Y387 HydrophobicContact CD1-CD2 3.93Å; L341-Y387 HydrophobicContact CD1-CE2 3.57Å; F383-Y387 PolarHBondContact O-N 2.92Å; R384-Y387 WeakPolarHBondContact O-CB 3.42Å; R384-Y387 PolarHBondContact O-N 3.48Å; S385-Y387 VanDerWaalsContact C-N 3.32Å; S385-Y387 PolarHBondContact O-N 2.79Å; Y387-D389 PolarHBondContact O-N 2.93Å; Y387-H390 PolarHBondContact O-N 3.39Å; Y387-R391 VanDerWaalsContact O-CB 3.25Å; Y387-R391 WeakPolarHBondContact O-CB 3.1Å; Y387-R391 PolarHBondContact O-N 3.31Å; Y387-W407 HydrophobicContact CD2-CE3 4.04Å; Y387-W407 HydrophobicContact CD2-CH2 4.26Å; Y387-W407 AromaticContact CD2-CZ3 3.4Å; Y387-W407 HydrophobicContact CD2-CZ3 3.4Å; Y387-W407 AromaticContact CE2-CE3 3.35Å; Y387-W407 HydrophobicContact CE2-CE3 3.35Å; Y387-W407 HydrophobicContact CE2-CH2 4.26Å; Y387-W407 AromaticContact CE2-CZ3 3.21Å; Y387-W407 HydrophobicContact CE2-CZ3 3.21Å; Y387-W407 HydrophobicContact CG-CZ3 4.3Å; Y387-W407 AromaticContact CZ-CE3 3.76Å; Y387-W407 AromaticContact CZ-CZ3 4Å; Y387-F409 WeakPolarHBondContact OH-CE2 3.48Å; Y387-P411 HydrophobicContact CE1-CG 4.48Å; Y387-F415 AromaticContact CD1-CE2 3.44Å; Y387-F415 HydrophobicContact CD1-CE2 3.44Å; Y387-F415 VanDerWaalsContact CD1-CE2 3.44Å; Y387-F415 AromaticContact CD1-CZ 3.74Å; Y387-F415 HydrophobicContact CD1-CZ 3.74Å; Y387-F415 HydrophobicContact CD2-CE2 4.11Å; Y387-F415 AromaticContact CD2-CZ 3.91Å; Y387-F415 HydrophobicContact CD2-CZ 3.91Å; Y387-F415 AromaticContact CE1-CE2 3.64Å; Y387-F415 HydrophobicContact CE1-CE2 3.64Å; Y387-F415 HydrophobicContact CE1-CZ 4.33Å; Y387-F415 HydrophobicContact CE2-CE2 4.26Å; Y387-F415 HydrophobicContact CE2-CZ 4.46Å; Y387-F415 AromaticContact CG-CE2 3.71Å; Y387-F415 HydrophobicContact CG-CE2 3.71Å; Y387-F415 AromaticContact CG-CZ 3.52Å; Y387-F415 HydrophobicContact CG-CZ 3.52Å
388E96.6Very high95.1Very high71 Ų7159.9 Ų59.933%0.33228%0.283SS..Hα-helixtrans-64.7-41.3-178.1-67.9-61.4169.800111.9R384 S385 H390 R391 A392R384-E388 PolarHBondContact O-N 2.89Å; S385-E388 PolarHBondContact O-N 3.45Å; E388-H390 PolarHBondContact O-N 3.05Å; E388-R391 PolarHBondContact O-N 3.48Å; E388-A392 WeakPolarHBondContact O-CB 3.42Å; E388-A392 PolarHBondContact O-N 3.26Å
389D96.6Very high94.1Very high98 Ų9862 Ų6252%0.52429%0.291SS..Hα-helixtrans-58.9-47.5175.4-76.1-17.7000111.2S385 Y387 N393S385-D389 WeakPolarHBondContact O-CB 3.32Å; S385-D389 PolarHBondContact O-N 2.72Å; Y387-D389 PolarHBondContact O-N 2.93Å; D389-N393 WeakPolarHBondContact O-CB 3.42Å; D389-N393 PolarHBondContact O-N 3.37Å; D389-N393 PolarHBondContact O-ND2 3.2Å
390H95.1Very high93.1Very high33 Ų3369.6 Ų69.615%0.15333%0.332CS..Hα-helixtrans-68.5-41.2179.3-84.4-100.9000112.1M318 T386 Y387 E388 A392 N393 L394 Y397M318-H390 HydrophobicContact CG-CB 3.87Å; T386-H390 WeakPolarHBondContact O-CB 3.49Å; T386-H390 PolarHBondContact O-CD2 3.09Å; T386-H390 PolarHBondContact O-N 3.31Å; Y387-H390 PolarHBondContact O-N 3.39Å; E388-H390 PolarHBondContact O-N 3.05Å; H390-A392 PolarHBondContact O-N 3.38Å; H390-N393 CarbonylContact O-C 3.54Å; H390-N393 PolarHBondContact O-N 3.22Å; H390-L394 PolarHBondContact O-N 3.08Å; H390-Y397 PolarHBondContact CE1-OH 3.4Å; H390-Y397 AromaticContact ND1-CZ 3.98Å; H390-Y397 PolarHBondContact ND1-OH 3.47Å
391R94.4Very high91.8Very high66 Ų6672.7 Ų72.725%0.24936%0.363CS..Hα-helixtrans-56.5-47.5175.3-176179.4-173.8-166.88111.8Y387 E388 N393 L394 W407 F409Y387-R391 VanDerWaalsContact O-CB 3.25Å; Y387-R391 WeakPolarHBondContact O-CB 3.1Å; Y387-R391 PolarHBondContact O-N 3.31Å; E388-R391 PolarHBondContact O-N 3.48Å; R391-N393 PolarHBondContact O-N 3.3Å; R391-L394 WeakPolarHBondContact O-CG 3.45Å; R391-W407 HydrophobicContact CB-CE3 3.64Å; R391-W407 HydrophobicContact CB-CZ3 3.92Å; R391-W407 HydrophobicContact CG-CB 4.21Å; R391-W407 HydrophobicContact CG-CD2 4.43Å; R391-W407 HydrophobicContact CG-CE3 3.76Å; R391-W407 PolarHBondContact NE-O 3.26Å; R391-W407 PolarHBondContact NH2-O 3.04Å; R391-F409 PolarHBondContact NH2-O 2.74Å
392A94.1Very high90.7Very high81 Ų8173.5 Ų73.567%0.66937%0.374SS*.Hα-helixtrans-64.9-26.7177.400000112.6E388 H390E388-A392 WeakPolarHBondContact O-CB 3.42Å; E388-A392 PolarHBondContact O-N 3.26Å; H390-A392 PolarHBondContact O-N 3.38Å
393N93.4Very high89.8Confident63 Ų6377.8 Ų77.834%0.33740%0.395SS..THydrogen-bonded Turntrans-109.116.9-173.4-71.7-77000114.6D389 H390 R391 R395 K396D389-N393 WeakPolarHBondContact O-CB 3.42Å; D389-N393 PolarHBondContact O-N 3.37Å; D389-N393 PolarHBondContact O-ND2 3.2Å; H390-N393 CarbonylContact O-C 3.54Å; H390-N393 PolarHBondContact O-N 3.22Å; R391-N393 PolarHBondContact O-N 3.3Å; N393-R395 PolarHBondContact O-N 2.74Å; N393-K396 HydrophobicContact CB-CD 3.98Å; N393-K396 HydrophobicContact CB-CG 4.42Å; N393-K396 WeakPolarHBondContact O-CB 3.49Å; N393-K396 WeakPolarHBondContact O-CG 3.45Å; N393-K396 PolarHBondContact O-N 3.42Å; N393-K396 WeakPolarHBondContact OD1-CE 3.36Å; N393-K396 PolarHBondContact OD1-NZ 3.22Å; N393-K396 VanDerWaalsContact OD1-NZ 3.17Å
394L91.9Very high89.3Confident11 Ų1178.9 Ų78.96%0.05840%0.402CS..G310 helixtrans-54.4-26.7-178.1-77.4170.6000114.2H390 R391 K396 Y397 W407H390-L394 PolarHBondContact O-N 3.08Å; R391-L394 WeakPolarHBondContact O-CG 3.45Å; L394-K396 PolarHBondContact O-N 2.92Å; L394-K396 VanDerWaalsContact O-N 3.12Å; L394-Y397 PolarHBondContact O-N 3.25Å; L394-W407 HydrophobicContact CD1-CB 4.21Å; L394-W407 HydrophobicContact CD1-CD2 3.81Å; L394-W407 HydrophobicContact CD1-CG 3.61Å; L394-W407 HydrophobicContact CD2-CD2 4.38Å; L394-W407 HydrophobicContact CD2-CZ2 3.88Å
395R88Confident88.9Confident194 Ų19481.8 Ų81.873%0.73241%0.413SS*.G310 helixtrans-58.1-24.2176-61.5-177.2-176.3-178.41.4113.2N393 Y397 Q398N393-R395 PolarHBondContact O-N 2.74Å; R395-Y397 PolarHBondContact O-N 2.78Å; R395-Q398 VanDerWaalsContact O-CB 3.27Å; R395-Q398 WeakPolarHBondContact O-CB 3.48Å; R395-Q398 PolarHBondContact O-N 2.84Å
396K90.8Very high88.6Confident158 Ų15883.5 Ų83.569%0.68742%0.423SS*.G310 helixtrans-64.5-19.4176.9-65.3180-173.81690113.2N393 L394 Q398N393-K396 HydrophobicContact CB-CD 3.98Å; N393-K396 HydrophobicContact CB-CG 4.42Å; N393-K396 WeakPolarHBondContact O-CB 3.49Å; N393-K396 WeakPolarHBondContact O-CG 3.45Å; N393-K396 PolarHBondContact O-N 3.42Å; N393-K396 WeakPolarHBondContact OD1-CE 3.36Å; N393-K396 PolarHBondContact OD1-NZ 3.22Å; N393-K396 VanDerWaalsContact OD1-NZ 3.17Å; L394-K396 PolarHBondContact O-N 2.92Å; L394-K396 VanDerWaalsContact O-N 3.12Å; K396-Q398 VanDerWaalsContact C-N 3.33Å
397Y89.2Confident88.5Confident26 Ų2683.7 Ų83.710%0.10242%0.423CS..G310 helixtrans-91.95.2-179.8-62.2-89.4000113.3H319 C322 L323 H390 L394 R395 K399H319-Y397 AromaticContact CE1-CE1 3.52Å; H319-Y397 AromaticContact CE1-CZ 3.91Å; H319-Y397 AromaticContact ND1-CE1 3.65Å; H319-Y397 AromaticContact ND1-CZ 3.62Å; H319-Y397 PolarHBondContact ND1-OH 3.43Å; C322-Y397 HydrophobicContact CB-CD1 4.05Å; C322-Y397 HydrophobicContact CB-CD2 3.98Å; C322-Y397 HydrophobicContact CB-CE1 3.58Å; C322-Y397 HydrophobicContact CB-CE2 3.52Å; C322-Y397 HydrophobicContact CB-CG 4.22Å; L323-Y397 HydrophobicContact CD2-CD1 3.81Å; L323-Y397 HydrophobicContact CD2-CE1 4.06Å; L323-Y397 HydrophobicContact CG-CD1 4.17Å; L323-Y397 HydrophobicContact CG-CE1 4Å; H390-Y397 PolarHBondContact CE1-OH 3.4Å; H390-Y397 AromaticContact ND1-CZ 3.98Å; H390-Y397 PolarHBondContact ND1-OH 3.47Å; L394-Y397 PolarHBondContact O-N 3.25Å; R395-Y397 PolarHBondContact O-N 2.78Å; Y397-K399 PolarHBondContact O-N 2.9Å
398Q85.9Confident88.1Confident80 Ų8089.4 Ų89.437%0.37445%0.453SS..  trans-64.3127.4177.6-159.1179.2-10.200110.9R395 K396 G401 I402 V404R395-Q398 VanDerWaalsContact O-CB 3.27Å; R395-Q398 WeakPolarHBondContact O-CB 3.48Å; R395-Q398 PolarHBondContact O-N 2.84Å; K396-Q398 VanDerWaalsContact C-N 3.33Å; Q398-G401 PolarHBondContact NE2-O 3.13Å; Q398-G401 VanDerWaalsContact NE2-O 3.09Å; Q398-I402 WeakPolarHBondContact CG-O 3.32Å; Q398-V404 HydrophobicContact CB-CG2 4.49Å
399K79Confident88Confident119 Ų11986.8 Ų86.852%0.51744%0.441SS..BIsolated β-bridgetrans-120.9143.1172.3-73.6-177.1-177.5168.50110.4N327 Y397 G401 I402N327-K399 PolarHBondContact OD1-NZ 3.15Å; N327-K399 VanDerWaalsContact OD1-NZ 3.1Å; Y397-K399 PolarHBondContact O-N 2.9Å; K399-G401 PolarHBondContact O-N 3.41Å; K399-G401 VanDerWaalsContact O-N 3.08Å; K399-I402 PolarHBondContact O-N 3.4Å
400N76Confident87.9Confident160 Ų16085 Ų8586%0.85644%0.436SS*.THydrogen-bonded Turntrans53.532.8171.3-55.4-17.7000114.4I402N400-I402 PolarHBondContact O-N 3.29Å
401G70.9Confident87.9Confident64 Ų6484.9 Ų84.966%0.6644%0.438SS*.THydrogen-bonded Turntrans75.9-4.8-179.200000115.4Q398 K399 M403Q398-G401 PolarHBondContact NE2-O 3.13Å; Q398-G401 VanDerWaalsContact NE2-O 3.09Å; K399-G401 PolarHBondContact O-N 3.41Å; K399-G401 VanDerWaalsContact O-N 3.08Å; G401-M403 PolarHBondContact O-N 2.89Å
402I76.3Confident87.9Confident127 Ų12786.9 Ų86.965%0.65145%0.452SS*.BIsolated β-bridgetrans-78.8111.1179-57.3174000109.2Q398 K399 N400 V404Q398-I402 WeakPolarHBondContact CG-O 3.32Å; K399-I402 PolarHBondContact O-N 3.4Å; N400-I402 PolarHBondContact O-N 3.29Å; I402-V404 PolarHBondContact O-N 3.45Å
403M79.6Confident87.9Confident128 Ų12887.5 Ų87.563%0.63144%0.443SS*.PPolyproline II helixtrans-61.3131.8177.3-81.5-161.49300111.6G401G401-M403 PolarHBondContact O-N 2.89Å
404V87.6Confident88.1Confident24 Ų2484.7 Ų84.715%0.14543%0.429CS..PPolyproline II helixtrans-71.3133.5171.5-177.90000108.9A326 Q398 I402A326-V404 HydrophobicContact CB-CG1 4.2Å; A326-V404 HydrophobicContact CB-CG2 3.99Å; Q398-V404 HydrophobicContact CB-CG2 4.49Å; I402-V404 PolarHBondContact O-N 3.45Å
405R88.7Confident88.3Confident157 Ų15784.2 Ų84.259%0.59243%0.426SS*.PPolyproline II helixtrans-61.7132.9176-68.1-175.1-179.3-159.80.8109.9W325W325-R405 HydrophobicContact CZ2-CB 4Å; W325-R405 PolarHBondContact NE1-O 3.39Å
406P91.7Very high88.6Confident90 Ų9077.4 Ų77.458%0.58441%0.408SS*.PPolyproline II helixtrans-67.5156.8174.630.1-34.5000110.6D408P406-D408 PolarHBondContact O-N 3.29Å
407W94.1Very high88.8Confident7 Ų773.3 Ų73.33%0.02739%0.388CS..  trans-80.995.6168.2-63.3-10.1000109.5M318 W325 L337 Y387 R391 L394 F409M318-W407 HydrophobicContact SD-CH2 4.06Å; W325-W407 AromaticContact CD1-NE1 3.47Å; W325-W407 AromaticContact CD2-CD1 3.91Å; W325-W407 AromaticContact CD2-NE1 3.49Å; W325-W407 AromaticContact CE2-CD1 3.48Å; W325-W407 VanDerWaalsContact CE2-CD1 3.48Å; W325-W407 AromaticContact CE2-NE1 3.51Å; W325-W407 AromaticContact CG-NE1 3.5Å; W325-W407 AromaticContact CZ2-CD1 3.73Å; W325-W407 AromaticContact NE1-CD1 3.59Å; W325-W407 AromaticContact NE1-NE1 3.45Å; L337-W407 HydrophobicContact CD2-CD2 3.74Å; L337-W407 HydrophobicContact CD2-CG 3.87Å; L337-W407 HydrophobicContact CD2-CZ2 3.86Å; L337-W407 VanDerWaalsContact CD2-NE1 3.25Å; Y387-W407 HydrophobicContact CD2-CE3 4.04Å; Y387-W407 HydrophobicContact CD2-CH2 4.26Å; Y387-W407 AromaticContact CD2-CZ3 3.4Å; Y387-W407 HydrophobicContact CD2-CZ3 3.4Å; Y387-W407 AromaticContact CE2-CE3 3.35Å; Y387-W407 HydrophobicContact CE2-CE3 3.35Å; Y387-W407 HydrophobicContact CE2-CH2 4.26Å; Y387-W407 AromaticContact CE2-CZ3 3.21Å; Y387-W407 HydrophobicContact CE2-CZ3 3.21Å; Y387-W407 HydrophobicContact CG-CZ3 4.3Å; Y387-W407 AromaticContact CZ-CE3 3.76Å; Y387-W407 AromaticContact CZ-CZ3 4Å; R391-W407 HydrophobicContact CB-CE3 3.64Å; R391-W407 HydrophobicContact CB-CZ3 3.92Å; R391-W407 HydrophobicContact CG-CB 4.21Å; R391-W407 HydrophobicContact CG-CD2 4.43Å; R391-W407 HydrophobicContact CG-CE3 3.76Å; R391-W407 PolarHBondContact NE-O 3.26Å; R391-W407 PolarHBondContact NH2-O 3.04Å; L394-W407 HydrophobicContact CD1-CB 4.21Å; L394-W407 HydrophobicContact CD1-CD2 3.81Å; L394-W407 HydrophobicContact CD1-CG 3.61Å; L394-W407 HydrophobicContact CD2-CD2 4.38Å; L394-W407 HydrophobicContact CD2-CZ2 3.88Å; W407-F409 HydrophobicContact CB-CD1 4.24Å; W407-F409 HydrophobicContact CB-CE1 3.63Å; W407-F409 HydrophobicContact CB-CZ 4.1Å; W407-F409 HydrophobicContact CG-CE1 4.01Å; W407-F409 HydrophobicContact CG-CZ 4.34Å; W407-F409 PolarHBondContact O-N 3.41Å
408D90.1Very high89.2Confident120 Ų12072.1 Ų72.164%0.64238%0.383SS*.  trans-97.734.9-170.462.7-16.6000113.6P334 P406P334-D408 WeakPolarHBondContact CG-OD1 3.41Å; P406-D408 PolarHBondContact O-N 3.29Å
409F94.7Very high89.7Confident17 Ų1769.7 Ų69.78%0.07537%0.373CS..SBendtrans-122162176.756.8-90.7000112.1P334 L337 I338 L341 Y387 R391 W407 L413 V414P334-F409 HydrophobicContact CB-CD1 3.89Å; L337-F409 HydrophobicContact CD2-CE1 3.87Å; L337-F409 HydrophobicContact CD2-CZ 3.89Å; L337-F409 HydrophobicContact CG-CE1 4.44Å; L337-F409 HydrophobicContact CG-CZ 4.21Å; I338-F409 HydrophobicContact CD1-CB 3.94Å; I338-F409 HydrophobicContact CD1-CD1 4.37Å; I338-F409 HydrophobicContact CD1-CD2 3.92Å; I338-F409 HydrophobicContact CD1-CG 3.82Å; I338-F409 HydrophobicContact CG1-CD1 4.34Å; I338-F409 HydrophobicContact CG1-CD2 3.65Å; I338-F409 HydrophobicContact CG1-CE1 4.43Å; I338-F409 HydrophobicContact CG1-CE2 3.78Å; I338-F409 HydrophobicContact CG1-CG 3.94Å; I338-F409 HydrophobicContact CG1-CZ 4.17Å; L341-F409 HydrophobicContact CD1-CZ 4.39Å; Y387-F409 WeakPolarHBondContact OH-CE2 3.48Å; R391-F409 PolarHBondContact NH2-O 2.74Å; W407-F409 HydrophobicContact CB-CD1 4.24Å; W407-F409 HydrophobicContact CB-CE1 3.63Å; W407-F409 HydrophobicContact CB-CZ 4.1Å; W407-F409 HydrophobicContact CG-CE1 4.01Å; W407-F409 HydrophobicContact CG-CZ 4.34Å; W407-F409 PolarHBondContact O-N 3.41Å; F409-L413 HydrophobicContact CB-CD1 4.35Å; F409-V414 HydrophobicContact CD2-CG2 4.39Å; F409-V414 HydrophobicContact CE2-CG2 3.73Å
410S95.1Very high90.4Very high60 Ų6068.3 Ų68.342%0.4237%0.369SS..  trans-73.1130176.6179.40000110.8M412 L413S410-M412 PolarHBondContact O-N 3.31Å; S410-M412 VanDerWaalsContact O-N 3.1Å; S410-M412 PolarHBondContact OG-N 2.88Å; S410-L413 WeakPolarHBondContact O-CB 3.31Å; S410-L413 PolarHBondContact O-N 3.2Å
411P94.7Very high91.4Very high30 Ų3060.9 Ų60.920%0.19533%0.329CS..THydrogen-bonded Turntrans-54.5-27.3172.8-28.737000113.7Y387 L413 V414 F415Y387-P411 HydrophobicContact CE1-CG 4.48Å; P411-L413 PolarHBondContact O-N 3.08Å; P411-V414 PolarHBondContact O-N 3.01Å; P411-F415 HydrophobicContact CB-CD2 4Å; P411-F415 HydrophobicContact CB-CE2 4.48Å; P411-F415 VanDerWaalsContact O-CD2 3.32Å; P411-F415 WeakPolarHBondContact O-CD2 3.41Å; P411-F415 PolarHBondContact O-N 3.39Å
412M94.4Very high92.7Very high109 Ų10958.5 Ų58.554%0.53730%0.301SS..Hα-helixtrans-58.5-31177.3-65.8-60.2-65.200112.7S410 V414 S416S410-M412 PolarHBondContact O-N 3.31Å; S410-M412 VanDerWaalsContact O-N 3.1Å; S410-M412 PolarHBondContact OG-N 2.88Å; M412-V414 PolarHBondContact O-N 3.28Å; M412-S416 WeakPolarHBondContact O-CB 3.19Å; M412-S416 PolarHBondContact O-N 2.94Å
413L94.8Very high93.6Very high94 Ų9455.3 Ų55.349%0.49229%0.29SS..Hα-helixtrans-64-29.5176.3-64175.2000111.6I338 Q342 F409 S410 P411I338-L413 HydrophobicContact CD1-CB 4.3Å; I338-L413 HydrophobicContact CD1-CD1 3.88Å; I338-L413 HydrophobicContact CG2-CB 4.18Å; Q342-L413 VanDerWaalsContact CD-O 3.29Å; Q342-L413 PolarHBondContact NE2-O 2.9Å; F409-L413 HydrophobicContact CB-CD1 4.35Å; S410-L413 WeakPolarHBondContact O-CB 3.31Å; S410-L413 PolarHBondContact O-N 3.2Å; P411-L413 PolarHBondContact O-N 3.08Å
414V95.9Very high94.3Very high4 Ų449.5 Ų49.52%0.02426%0.262CS..Hα-helixtrans-91.2-49.1178.8175.20000111.3I338 L341 F409 P411 M412I338-V414 HydrophobicContact CB-CG2 4.36Å; I338-V414 HydrophobicContact CG1-CG2 4.14Å; I338-V414 HydrophobicContact CG2-CG2 4.21Å; L341-V414 HydrophobicContact CB-CB 4.4Å; L341-V414 HydrophobicContact CB-CG1 3.41Å; L341-V414 VanDerWaalsContact CB-CG1 3.41Å; L341-V414 HydrophobicContact CB-CG2 4.06Å; L341-V414 HydrophobicContact CD1-CG1 4.31Å; L341-V414 HydrophobicContact CD1-CG2 4.07Å; L341-V414 HydrophobicContact CG-CG1 4.47Å; F409-V414 HydrophobicContact CD2-CG2 4.39Å; F409-V414 HydrophobicContact CE2-CG2 3.73Å; P411-V414 PolarHBondContact O-N 3.01Å; M412-V414 PolarHBondContact O-N 3.28Å
415F97Very high94.8Very high0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-100.2-2.9-161-63.7-68.8000115.2F383 Y387 P411 R417 L418 D419F383-F415 AromaticContact CD1-CE1 3.91Å; F383-F415 HydrophobicContact CD1-CE1 3.91Å; F383-F415 AromaticContact CE1-CE1 3.68Å; F383-F415 HydrophobicContact CE1-CE1 3.68Å; F383-F415 HydrophobicContact CE1-CZ 4.34Å; Y387-F415 AromaticContact CD1-CE2 3.44Å; Y387-F415 HydrophobicContact CD1-CE2 3.44Å; Y387-F415 VanDerWaalsContact CD1-CE2 3.44Å; Y387-F415 AromaticContact CD1-CZ 3.74Å; Y387-F415 HydrophobicContact CD1-CZ 3.74Å; Y387-F415 HydrophobicContact CD2-CE2 4.11Å; Y387-F415 AromaticContact CD2-CZ 3.91Å; Y387-F415 HydrophobicContact CD2-CZ 3.91Å; Y387-F415 AromaticContact CE1-CE2 3.64Å; Y387-F415 HydrophobicContact CE1-CE2 3.64Å; Y387-F415 HydrophobicContact CE1-CZ 4.33Å; Y387-F415 HydrophobicContact CE2-CE2 4.26Å; Y387-F415 HydrophobicContact CE2-CZ 4.46Å; Y387-F415 AromaticContact CG-CE2 3.71Å; Y387-F415 HydrophobicContact CG-CE2 3.71Å; Y387-F415 AromaticContact CG-CZ 3.52Å; Y387-F415 HydrophobicContact CG-CZ 3.52Å; P411-F415 HydrophobicContact CB-CD2 4Å; P411-F415 HydrophobicContact CB-CE2 4.48Å; P411-F415 VanDerWaalsContact O-CD2 3.32Å; P411-F415 WeakPolarHBondContact O-CD2 3.41Å; P411-F415 PolarHBondContact O-N 3.39Å; F415-R417 VanDerWaalsContact C-N 3.29Å; F415-R417 PolarHBondContact O-N 2.88Å; F415-R417 VanDerWaalsContact O-N 3.14Å; F415-L418 HydrophobicContact CD1-CB 4.4Å; F415-L418 HydrophobicContact CD1-CD2 3.61Å; F415-L418 HydrophobicContact CE1-CD2 4.09Å; F415-L418 PolarHBondContact O-N 3.32Å; F415-D419 WeakPolarHBondContact O-CB 3.43Å; F415-D419 PolarHBondContact O-N 3.14Å
416S94.8Very high95.1Very high51 Ų5142.7 Ų42.736%0.35724%0.235SC..Hα-helixtrans-49.6-47.2-175.7-174.70000113.3M412 Q420M412-S416 WeakPolarHBondContact O-CB 3.19Å; M412-S416 PolarHBondContact O-N 2.94Å; S416-Q420 VanDerWaalsContact O-CG 3.27Å; S416-Q420 WeakPolarHBondContact O-CG 3.32Å; S416-Q420 PolarHBondContact O-N 3.44Å; S416-Q420 VanDerWaalsContact O-N 3.14Å
417R94.5Very high95.3Very high73 Ų7340 Ų4028%0.27522%0.215SC..Hα-helixtrans-71.2-39179.3-176.2176.5176.4-85.6-14.4112.6H224 N346 I349 F415 D419 Q420 F421H224-R417 PolarHBondContact CE1-NE 2.86Å; N346-R417 PolarHBondContact OD1-NH1 3.23Å; I349-R417 HydrophobicContact CD1-CG 4.19Å; F415-R417 VanDerWaalsContact C-N 3.29Å; F415-R417 PolarHBondContact O-N 2.88Å; F415-R417 VanDerWaalsContact O-N 3.14Å; R417-D419 VanDerWaalsContact C-N 3.35Å; R417-Q420 PolarHBondContact O-N 3.46Å; R417-F421 PolarHBondContact O-N 3.2Å
418L96.7Very high95.4Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-63-43.5176.1-174.971.8000111.3C345 I349 L380 F383 F415 F421 I422C345-L418 HydrophobicContact CB-CB 4.28Å; I349-L418 HydrophobicContact CD1-CB 4.4Å; I349-L418 HydrophobicContact CD1-CD1 3.99Å; I349-L418 HydrophobicContact CG1-CD1 3.87Å; L380-L418 HydrophobicContact CB-CD1 4.26Å; L380-L418 HydrophobicContact CD2-CD1 3.75Å; L380-L418 HydrophobicContact CG-CD1 4.37Å; F383-L418 HydrophobicContact CD1-CD2 4.24Å; F415-L418 HydrophobicContact CD1-CB 4.4Å; F415-L418 HydrophobicContact CD1-CD2 3.61Å; F415-L418 HydrophobicContact CE1-CD2 4.09Å; F415-L418 PolarHBondContact O-N 3.32Å; L418-F421 PolarHBondContact O-N 2.83Å; L418-I422 HydrophobicContact CD2-CD1 4.38Å; L418-I422 HydrophobicContact CG-CD1 4Å; L418-I422 VanDerWaalsContact O-CG1 3.31Å; L418-I422 WeakPolarHBondContact O-CG1 3.33Å; L418-I422 PolarHBondContact O-N 3.16Å
419D96.4Very high95.7Very high29 Ų2936.3 Ų36.316%0.15519%0.194CC..Hα-helixtrans-66.2-40.4-179.4-74.4-4.3000111.5R384 F415 R417 I422 S423R384-D419 IonicContact CZ-OD1 3.15Å; R384-D419 IonicContact CZ-OD2 3.37Å; R384-D419 IonicContact NE-OD1 3.49Å; R384-D419 IonicContact NH1-OD1 3.59Å; R384-D419 PolarHBondContact NH1-OD1 2.98Å; R384-D419 IonicContact NH1-OD2 2.75Å; R384-D419 PolarHBondContact NH1-OD2 3.45Å; R384-D419 IonicContact NH2-OD1 2.66Å; R384-D419 IonicContact NH2-OD2 3.1Å; R384-D419 PolarHBondContact NH2-OD2 3.12Å; F415-D419 WeakPolarHBondContact O-CB 3.43Å; F415-D419 PolarHBondContact O-N 3.14Å; R417-D419 VanDerWaalsContact C-N 3.35Å; D419-I422 PolarHBondContact O-N 3.02Å; D419-S423 WeakPolarHBondContact O-CB 3.4Å; D419-S423 PolarHBondContact O-N 3.29Å
420Q94.9Very high95.8Very high91 Ų9138.5 Ų38.543%0.42521%0.206SC..Hα-helixtrans-60.3-48.1171.3-72.3169.7-7.900111.1S416 R417 I422 S423 T424 A482S416-Q420 VanDerWaalsContact O-CG 3.27Å; S416-Q420 WeakPolarHBondContact O-CG 3.32Å; S416-Q420 PolarHBondContact O-N 3.44Å; S416-Q420 VanDerWaalsContact O-N 3.14Å; R417-Q420 PolarHBondContact O-N 3.46Å; Q420-I422 PolarHBondContact O-N 2.89Å; Q420-S423 WeakPolarHBondContact O-CB 3.46Å; Q420-S423 PolarHBondContact O-N 3.31Å; Q420-S423 VanDerWaalsContact O-N 3.12Å; Q420-T424 PolarHBondContact O-N 3.14Å; Q420-T424 PolarHBondContact O-OG1 3.19Å; Q420-A482 HydrophobicContact CB-CB 4.02Å
421F96.8Very high95.8Very high3 Ų335.7 Ų35.71%0.01319%0.187CC..Hα-helixtrans-62.2-40.9177.9-173.5-111.9000112.8I349 A352 R353 L356 L380 R417 L418 S423 T424 L425 L480I349-F421 HydrophobicContact CB-CD1 4.39Å; I349-F421 HydrophobicContact CD1-CB 4.35Å; I349-F421 HydrophobicContact CG1-CB 4.35Å; I349-F421 HydrophobicContact CG1-CD1 3.82Å; I349-F421 HydrophobicContact CG1-CE1 4.4Å; I349-F421 HydrophobicContact CG1-CG 4.18Å; I349-F421 HydrophobicContact CG2-CD1 4.1Å; I349-F421 HydrophobicContact CG2-CD2 4.17Å; I349-F421 HydrophobicContact CG2-CE1 4.19Å; I349-F421 HydrophobicContact CG2-CE2 4.28Å; I349-F421 HydrophobicContact CG2-CG 4.08Å; I349-F421 HydrophobicContact CG2-CZ 4.29Å; A352-F421 HydrophobicContact CB-CE1 3.79Å; A352-F421 HydrophobicContact CB-CZ 4.18Å; R353-F421 HydrophobicContact CG-CE2 3.97Å; R353-F421 HydrophobicContact CG-CZ 3.85Å; L356-F421 HydrophobicContact CD1-CZ 4.47Å; L380-F421 HydrophobicContact CD1-CD1 3.73Å; L380-F421 HydrophobicContact CD1-CE1 3.82Å; R417-F421 PolarHBondContact O-N 3.2Å; L418-F421 PolarHBondContact O-N 2.83Å; F421-S423 VanDerWaalsContact C-N 3.31Å; F421-S423 PolarHBondContact O-N 2.94Å; F421-T424 WeakPolarHBondContact O-CB 3.45Å; F421-T424 PolarHBondContact O-N 3.17Å; F421-L425 HydrophobicContact CD1-CD1 4.12Å; F421-L425 HydrophobicContact CD1-CG 4.42Å; F421-L425 HydrophobicContact CE1-CD1 3.69Å; F421-L425 HydrophobicContact CE1-CD2 4.48Å; F421-L425 HydrophobicContact CE1-CG 4.12Å; F421-L425 HydrophobicContact CZ-CD1 4.17Å; F421-L425 HydrophobicContact CZ-CD2 4.13Å; F421-L425 HydrophobicContact CZ-CG 4.23Å; F421-L425 WeakPolarHBondContact O-CG 3.15Å; F421-L425 PolarHBondContact O-N 2.76Å; F421-L480 HydrophobicContact CE2-CB 4.21Å; F421-L480 HydrophobicContact CE2-CD2 4.44Å; F421-L480 WeakPolarHBondContact CE2-O 3.27Å
422I97.2Very high95.9Very high14 Ų1434.2 Ų34.27%0.07218%0.177CC..Hα-helixtrans-60.2-41.5173.3-72.7169.4000110.9L377 L380 L418 D419 Q420 L425 E426L377-I422 HydrophobicContact CD2-CG2 3.89Å; L380-I422 HydrophobicContact CB-CD1 4Å; L380-I422 HydrophobicContact CB-CG1 4Å; L380-I422 HydrophobicContact CD1-CG1 4.12Å; L418-I422 HydrophobicContact CD2-CD1 4.38Å; L418-I422 HydrophobicContact CG-CD1 4Å; L418-I422 VanDerWaalsContact O-CG1 3.31Å; L418-I422 WeakPolarHBondContact O-CG1 3.33Å; L418-I422 PolarHBondContact O-N 3.16Å; D419-I422 PolarHBondContact O-N 3.02Å; Q420-I422 PolarHBondContact O-N 2.89Å; I422-L425 PolarHBondContact O-N 3.3Å; I422-E426 PolarHBondContact O-N 3.12Å
423S95.3Very high96Very high61 Ų6130.9 Ų30.943%0.42717%0.165SC..Hα-helixtrans-62-43.6176.2-172.80000111.6D419 Q420 F421 L425 E426 N427D419-S423 WeakPolarHBondContact O-CB 3.4Å; D419-S423 PolarHBondContact O-N 3.29Å; Q420-S423 WeakPolarHBondContact O-CB 3.46Å; Q420-S423 PolarHBondContact O-N 3.31Å; Q420-S423 VanDerWaalsContact O-N 3.12Å; F421-S423 VanDerWaalsContact C-N 3.31Å; F421-S423 PolarHBondContact O-N 2.94Å; S423-L425 VanDerWaalsContact C-N 3.34Å; S423-L425 PolarHBondContact O-N 3.34Å; S423-E426 PolarHBondContact O-N 3.23Å; S423-N427 PolarHBondContact O-N 2.72Å
424T95.3Very high96Very high6 Ų627.6 Ų27.64%0.03715%0.148CC..Hα-helixtrans-58.1-45.6173.3-54.60000111.5Q420 F421 E426 N427 I428 C479 F487Q420-T424 PolarHBondContact O-N 3.14Å; Q420-T424 PolarHBondContact O-OG1 3.19Å; F421-T424 WeakPolarHBondContact O-CB 3.45Å; F421-T424 PolarHBondContact O-N 3.17Å; T424-E426 PolarHBondContact O-N 3.01Å; T424-N427 WeakPolarHBondContact O-CB 3.2Å; T424-N427 PolarHBondContact O-N 3.47Å; T424-I428 HydrophobicContact CG2-CD1 4.34Å; T424-I428 WeakPolarHBondContact O-CG1 3.37Å; T424-I428 PolarHBondContact O-N 2.91Å; T424-C479 WeakPolarHBondContact CG2-O 3.37Å; T424-F487 HydrophobicContact CG2-CD1 4.24Å; T424-F487 HydrophobicContact CG2-CE1 3.94Å
425L97.1Very high95.9Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-65.7-35.6178.2-68.2-173.7000113.4L356 V373 L377 L380 F421 I422 S423 I428 K429 L480L356-L425 HydrophobicContact CD1-CD1 4.31Å; L356-L425 HydrophobicContact CD1-CD2 3.47Å; L356-L425 VanDerWaalsContact CD1-CD2 3.47Å; V373-L425 HydrophobicContact CG1-CB 4.34Å; V373-L425 WeakPolarHBondContact CG1-O 3.37Å; L377-L425 HydrophobicContact CD1-CB 4.37Å; L377-L425 HydrophobicContact CD2-CB 3.67Å; L377-L425 HydrophobicContact CD2-CD1 4.35Å; L377-L425 HydrophobicContact CG-CB 3.93Å; L377-L425 HydrophobicContact CG-CD1 4.36Å; L380-L425 HydrophobicContact CD1-CD1 3.81Å; F421-L425 HydrophobicContact CD1-CD1 4.12Å; F421-L425 HydrophobicContact CD1-CG 4.42Å; F421-L425 HydrophobicContact CE1-CD1 3.69Å; F421-L425 HydrophobicContact CE1-CD2 4.48Å; F421-L425 HydrophobicContact CE1-CG 4.12Å; F421-L425 HydrophobicContact CZ-CD1 4.17Å; F421-L425 HydrophobicContact CZ-CD2 4.13Å; F421-L425 HydrophobicContact CZ-CG 4.23Å; F421-L425 WeakPolarHBondContact O-CG 3.15Å; F421-L425 PolarHBondContact O-N 2.76Å; I422-L425 PolarHBondContact O-N 3.3Å; S423-L425 VanDerWaalsContact C-N 3.34Å; S423-L425 PolarHBondContact O-N 3.34Å; L425-I428 HydrophobicContact CD2-CD1 4.44Å; L425-I428 PolarHBondContact O-N 2.89Å; L425-K429 WeakPolarHBondContact O-CB 3.31Å; L425-K429 PolarHBondContact O-N 3.48Å; L425-L480 HydrophobicContact CD2-CD2 3.6Å
426E96.7Very high95.8Very high38 Ų3832.1 Ų32.118%0.17817%0.169CC..Hα-helixtrans-65.5-39.7172.5-77.6-66.7163.100111.7L377 R381 I422 S423 T424 I428 K429 D430L377-E426 HydrophobicContact CD1-CG 4.33Å; L377-E426 WeakPolarHBondContact CD1-OE1 3.3Å; L377-E426 HydrophobicContact CD2-CG 4.02Å; R381-E426 IonicContact CZ-OE1 2.73Å; R381-E426 IonicContact NH1-OE1 3.46Å; R381-E426 PolarHBondContact NH1-OE1 2.86Å; R381-E426 VanDerWaalsContact NH2-CD 3.33Å; R381-E426 IonicContact NH2-OE1 2.7Å; R381-E426 PolarHBondContact NH2-OE1 3.23Å; I422-E426 PolarHBondContact O-N 3.12Å; S423-E426 PolarHBondContact O-N 3.23Å; T424-E426 PolarHBondContact O-N 3.01Å; E426-I428 VanDerWaalsContact C-N 3.34Å; E426-I428 PolarHBondContact O-N 2.95Å; E426-K429 WeakPolarHBondContact O-CB 3.49Å; E426-K429 PolarHBondContact O-N 3.4Å; E426-K429 IonicContact OE1-NZ 2.86Å; E426-K429 PolarHBondContact OE1-NZ 2.99Å; E426-K429 IonicContact OE2-NZ 3.16Å; E426-K429 PolarHBondContact OE2-NZ 3.1Å; E426-D430 PolarHBondContact O-N 3.17Å
427N95.1Very high95.7Very high33 Ų3331.6 Ų31.618%0.17616%0.163CC..Hα-helixtrans-60.5-43.5173.4-75.7-32000111.9S423 T424 D430 V431 V491S423-N427 PolarHBondContact O-N 2.72Å; T424-N427 WeakPolarHBondContact O-CB 3.2Å; T424-N427 PolarHBondContact O-N 3.47Å; N427-D430 PolarHBondContact O-N 3.21Å; N427-V431 WeakPolarHBondContact O-CG2 3.34Å; N427-V431 PolarHBondContact O-N 3.18Å; N427-V431 VanDerWaalsContact O-N 3.08Å; N427-V491 HydrophobicContact CB-CG1 4.32Å
428I96Very high95.7Very high0 Ų028.2 Ų28.20%015%0.15CC..Hα-helixtrans-63.6-45176.4-68.5172.2000110.9V361 L362 V373 T424 L425 E426 D430 V431 L432 L480 F487V361-I428 HydrophobicContact CG2-CG2 4Å; L362-I428 HydrophobicContact CD2-CG2 3.98Å; V373-I428 HydrophobicContact CG2-CG2 3.92Å; T424-I428 HydrophobicContact CG2-CD1 4.34Å; T424-I428 WeakPolarHBondContact O-CG1 3.37Å; T424-I428 PolarHBondContact O-N 2.91Å; L425-I428 HydrophobicContact CD2-CD1 4.44Å; L425-I428 PolarHBondContact O-N 2.89Å; E426-I428 VanDerWaalsContact C-N 3.34Å; E426-I428 PolarHBondContact O-N 2.95Å; I428-D430 VanDerWaalsContact C-N 3.32Å; I428-D430 PolarHBondContact O-N 2.72Å; I428-V431 PolarHBondContact O-N 3.33Å; I428-L432 HydrophobicContact CG2-CD1 3.84Å; I428-L432 HydrophobicContact CG2-CG 4.26Å; I428-L432 WeakPolarHBondContact O-CG 3.32Å; I428-L432 PolarHBondContact O-N 3.31Å; I428-L480 HydrophobicContact CD1-CD2 3.41Å; I428-L480 VanDerWaalsContact CD1-CD2 3.41Å; I428-L480 HydrophobicContact CD1-CG 4.45Å; I428-F487 HydrophobicContact CD1-CZ 4.38Å; I428-F487 HydrophobicContact CG1-CE1 4.14Å; I428-F487 HydrophobicContact CG1-CZ 3.7Å
429K97.3Very high95.5Very high50 Ų5030 Ų3022%0.21716%0.159CC..Hα-helixtrans-57.7-44.5176.7-179.8-174.2147.5-145.50111.7L370 V373 L377 L425 E426 V431 L432 S433L370-K429 HydrophobicContact CD1-CB 4.36Å; L370-K429 HydrophobicContact CD1-CG 3.7Å; V373-K429 HydrophobicContact CG1-CB 3.82Å; L377-K429 HydrophobicContact CD1-CB 4.36Å; L377-K429 HydrophobicContact CD1-CD 3.67Å; L425-K429 WeakPolarHBondContact O-CB 3.31Å; L425-K429 PolarHBondContact O-N 3.48Å; E426-K429 WeakPolarHBondContact O-CB 3.49Å; E426-K429 PolarHBondContact O-N 3.4Å; E426-K429 IonicContact OE1-NZ 2.86Å; E426-K429 PolarHBondContact OE1-NZ 2.99Å; E426-K429 IonicContact OE2-NZ 3.16Å; E426-K429 PolarHBondContact OE2-NZ 3.1Å; K429-V431 VanDerWaalsContact C-N 3.35Å; K429-L432 PolarHBondContact O-N 3.49Å; K429-S433 VanDerWaalsContact O-CB 3.3Å; K429-S433 WeakPolarHBondContact O-CB 3.41Å; K429-S433 PolarHBondContact O-N 3.25Å; K429-S433 PolarHBondContact O-OG 3.26Å
430D95.4Very high95.2Very high62 Ų6233.4 Ų33.433%0.33217%0.172SC..Hα-helixtrans-60.5-44.6176.8-75.9-9000111.5E426 N427 I428 T434 K495E426-D430 PolarHBondContact O-N 3.17Å; N427-D430 PolarHBondContact O-N 3.21Å; I428-D430 VanDerWaalsContact C-N 3.32Å; I428-D430 PolarHBondContact O-N 2.72Å; D430-T434 VanDerWaalsContact O-CB 3.28Å; D430-T434 WeakPolarHBondContact O-CB 3.19Å; D430-T434 PolarHBondContact O-N 3.01Å; D430-T434 PolarHBondContact O-OG1 3.07Å; D430-K495 IonicContact OD2-NZ 2.82Å; D430-K495 PolarHBondContact OD2-NZ 3.13Å
431V95.9Very high95.1Very high1 Ų129.4 Ų29.41%0.00615%0.153CC..Hα-helixtrans-63.4-49.3178.8168.80000111L362 N427 I428 K429 S433 T434 Y435 Y469 F472 V491 F494L362-V431 HydrophobicContact CD2-CG1 4.08Å; N427-V431 WeakPolarHBondContact O-CG2 3.34Å; N427-V431 PolarHBondContact O-N 3.18Å; N427-V431 VanDerWaalsContact O-N 3.08Å; I428-V431 PolarHBondContact O-N 3.33Å; K429-V431 VanDerWaalsContact C-N 3.35Å; V431-S433 PolarHBondContact O-N 3.43Å; V431-T434 WeakPolarHBondContact O-CB 3.43Å; V431-T434 PolarHBondContact O-N 3.43Å; V431-Y435 PolarHBondContact O-N 3.3Å; V431-Y469 HydrophobicContact CG1-CE2 3.89Å; V431-F472 HydrophobicContact CG1-CE1 3.83Å; V431-F472 HydrophobicContact CG2-CE1 4.48Å; V431-F472 HydrophobicContact CG2-CZ 4.38Å; V431-V491 HydrophobicContact CG2-CG1 4.36Å; V431-V491 HydrophobicContact CG2-CG2 4.5Å; V431-F494 HydrophobicContact CG1-CE1 4.03Å; V431-F494 HydrophobicContact CG2-CD1 4.18Å; V431-F494 HydrophobicContact CG2-CE1 4.28Å
432L96.6Very high94.8Very high0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-63-41.8178.6-70.1174.3000112L362 P366 L370 V373 I428 K429 T434 Y435 L436L362-L432 HydrophobicContact CD2-CD2 4.23Å; L362-L432 HydrophobicContact CD2-CG 4.32Å; P366-L432 HydrophobicContact CB-CD2 4Å; L370-L432 HydrophobicContact CB-CB 4.32Å; L370-L432 HydrophobicContact CB-CD1 4.37Å; L370-L432 HydrophobicContact CD1-CB 4.06Å; V373-L432 HydrophobicContact CG2-CD1 4.21Å; I428-L432 HydrophobicContact CG2-CD1 3.84Å; I428-L432 HydrophobicContact CG2-CG 4.26Å; I428-L432 WeakPolarHBondContact O-CG 3.32Å; I428-L432 PolarHBondContact O-N 3.31Å; K429-L432 PolarHBondContact O-N 3.49Å; L432-T434 VanDerWaalsContact C-N 3.34Å; L432-T434 PolarHBondContact O-N 3.19Å; L432-Y435 WeakPolarHBondContact O-CB 3.22Å; L432-Y435 PolarHBondContact O-N 3.41Å; L432-L436 WeakPolarHBondContact O-CG 3.44Å; L432-L436 PolarHBondContact O-N 3.5Å
433S95.4Very high94.4Very high39 Ų3943 Ų4327%0.27321%0.214SC..Hα-helixtrans-62.9-43176.6-56.10000111.2K429 V431 Y435 L436 D437K429-S433 VanDerWaalsContact O-CB 3.3Å; K429-S433 WeakPolarHBondContact O-CB 3.41Å; K429-S433 PolarHBondContact O-N 3.25Å; K429-S433 PolarHBondContact O-OG 3.26Å; V431-S433 PolarHBondContact O-N 3.43Å; S433-Y435 VanDerWaalsContact C-N 3.35Å; S433-Y435 PolarHBondContact O-N 3.28Å; S433-L436 PolarHBondContact O-N 2.94Å; S433-D437 PolarHBondContact O-N 3.3Å
434T94.9Very high94.1Very high24 Ų2440.7 Ų40.715%0.14720%0.197CC..Hα-helixtrans-61.9-42.5175.5-63.90000111.8D430 V431 L432 D437 L438 F494 V498D430-T434 VanDerWaalsContact O-CB 3.28Å; D430-T434 WeakPolarHBondContact O-CB 3.19Å; D430-T434 PolarHBondContact O-N 3.01Å; D430-T434 PolarHBondContact O-OG1 3.07Å; V431-T434 WeakPolarHBondContact O-CB 3.43Å; V431-T434 PolarHBondContact O-N 3.43Å; L432-T434 VanDerWaalsContact C-N 3.34Å; L432-T434 PolarHBondContact O-N 3.19Å; T434-D437 PolarHBondContact O-N 3.17Å; T434-L438 HydrophobicContact CG2-CD1 3.89Å; T434-L438 WeakPolarHBondContact O-CG 3.27Å; T434-L438 PolarHBondContact O-N 2.88Å; T434-F494 HydrophobicContact CG2-CE1 4.48Å; T434-V498 HydrophobicContact CG2-CB 4.31Å; T434-V498 HydrophobicContact CG2-CG1 3.58Å; T434-V498 HydrophobicContact CG2-CG2 3.77Å
435Y95.1Very high93.7Very high44 Ų4447.7 Ų47.717%0.17323%0.229CC..Hα-helixtrans-58.8-51.2175.3176.9-86.1000111.6P366 V431 L432 S433 D437 L438 M439 F465 Y469P366-Y435 HydrophobicContact CB-CD1 3.75Å; P366-Y435 HydrophobicContact CB-CE1 3.99Å; P366-Y435 HydrophobicContact CG-CD1 3.75Å; P366-Y435 HydrophobicContact CG-CE1 3.5Å; V431-Y435 PolarHBondContact O-N 3.3Å; L432-Y435 WeakPolarHBondContact O-CB 3.22Å; L432-Y435 PolarHBondContact O-N 3.41Å; S433-Y435 VanDerWaalsContact C-N 3.35Å; S433-Y435 PolarHBondContact O-N 3.28Å; Y435-D437 VanDerWaalsContact C-N 3.27Å; Y435-D437 PolarHBondContact O-N 2.94Å; Y435-L438 PolarHBondContact O-N 2.89Å; Y435-M439 HydrophobicContact CD1-CG 3.82Å; Y435-M439 HydrophobicContact CD2-CE 4.17Å; Y435-M439 HydrophobicContact CE1-CE 4.41Å; Y435-M439 HydrophobicContact CE1-CG 3.36Å; Y435-M439 HydrophobicContact CE1-SD 3.95Å; Y435-M439 HydrophobicContact CE2-CE 3.71Å; Y435-M439 HydrophobicContact CE2-CG 4.35Å; Y435-M439 HydrophobicContact CE2-SD 4.13Å; Y435-M439 HydrophobicContact CG-CG 4.45Å; Y435-M439 VanDerWaalsContact O-CG 3.31Å; Y435-M439 WeakPolarHBondContact O-CG 3.07Å; Y435-M439 PolarHBondContact O-N 2.82Å; Y435-F465 AromaticContact CD2-CE1 3.83Å; Y435-F465 HydrophobicContact CD2-CE1 3.83Å; Y435-F465 AromaticContact CD2-CZ 3.96Å; Y435-F465 HydrophobicContact CD2-CZ 3.96Å; Y435-F465 HydrophobicContact CE2-CE1 4.37Å; Y435-Y469 AromaticContact CD2-CD1 3.63Å; Y435-Y469 HydrophobicContact CD2-CD1 3.63Å; Y435-Y469 AromaticContact CD2-CD2 3.7Å; Y435-Y469 HydrophobicContact CD2-CD2 3.7Å; Y435-Y469 AromaticContact CD2-CE1 3.61Å; Y435-Y469 HydrophobicContact CD2-CE1 3.61Å; Y435-Y469 AromaticContact CD2-CE2 3.66Å; Y435-Y469 HydrophobicContact CD2-CE2 3.66Å; Y435-Y469 AromaticContact CD2-CG 3.67Å; Y435-Y469 HydrophobicContact CD2-CG 3.67Å; Y435-Y469 AromaticContact CD2-CZ 3.63Å; Y435-Y469 AromaticContact CE2-CD1 3.58Å; Y435-Y469 HydrophobicContact CE2-CD1 3.58Å; Y435-Y469 HydrophobicContact CE2-CD2 4.48Å; Y435-Y469 AromaticContact CE2-CE1 3.64Å; Y435-Y469 HydrophobicContact CE2-CE1 3.64Å; Y435-Y469 HydrophobicContact CE2-CG 4.03Å; Y435-Y469 HydrophobicContact CG-CD2 4.48Å; Y435-Y469 HydrophobicContact CG-CE1 4.43Å; Y435-Y469 HydrophobicContact CG-CE2 4.1Å
436L94.4Very high93.3Very high55 Ų5548.1 Ų48.129%0.28823%0.231SC..Hα-helixtrans-61.4-35.1179.9-69173.8000112.8P366 A367 L370 L432 S433P366-L436 HydrophobicContact CB-CD2 4.13Å; P366-L436 HydrophobicContact CB-CG 4.46Å; A367-L436 HydrophobicContact CB-CD1 4.49Å; A367-L436 HydrophobicContact CB-CD2 4.26Å; L370-L436 HydrophobicContact CD2-CD1 3.62Å; L432-L436 WeakPolarHBondContact O-CG 3.44Å; L432-L436 PolarHBondContact O-N 3.5Å; S433-L436 PolarHBondContact O-N 2.94Å
437D92.9Very high92.5Very high41 Ų4148.4 Ų48.422%0.21924%0.244CC..Hα-helixtrans-65.8-49.9173.5-82.1-21.5000112.1S433 T434 Y435 M439 K440 L532 R535S433-D437 PolarHBondContact O-N 3.3Å; T434-D437 PolarHBondContact O-N 3.17Å; Y435-D437 VanDerWaalsContact C-N 3.27Å; Y435-D437 PolarHBondContact O-N 2.94Å; D437-M439 VanDerWaalsContact C-N 3.27Å; D437-M439 PolarHBondContact O-N 3.42Å; D437-K440 WeakPolarHBondContact O-CB 3.15Å; D437-K440 WeakPolarHBondContact O-CD 3.47Å; D437-K440 VanDerWaalsContact O-CG 3.3Å; D437-K440 WeakPolarHBondContact O-CG 3.39Å; D437-K440 PolarHBondContact O-N 3.34Å; D437-K440 VanDerWaalsContact O-N 3.1Å; D437-K440 IonicContact OD1-NZ 3.42Å; D437-K440 PolarHBondContact OD1-NZ 3.39Å; D437-L532 HydrophobicContact CB-CD2 4.49Å; D437-L532 WeakPolarHBondContact O-CD2 3.37Å; D437-R535 IonicContact OD2-NH1 2.64Å; D437-R535 PolarHBondContact OD2-NH1 3.34Å; D437-R535 VanDerWaalsContact OD2-NH1 3.1Å
438L93.6Very high91.8Very high1 Ų149.3 Ų49.31%0.00526%0.262CS..Hα-helixtrans-74.1-17.8-176.7-65.6175.6000112.9T434 Y435 K440 L441 F465 V498 L505T434-L438 HydrophobicContact CG2-CD1 3.89Å; T434-L438 WeakPolarHBondContact O-CG 3.27Å; T434-L438 PolarHBondContact O-N 2.88Å; Y435-L438 PolarHBondContact O-N 2.89Å; L438-K440 PolarHBondContact O-N 3.44Å; L438-L441 HydrophobicContact CB-CD1 4.36Å; L438-L441 HydrophobicContact CD2-CD1 3.92Å; L438-L441 VanDerWaalsContact O-CB 3.25Å; L438-L441 WeakPolarHBondContact O-CB 3.34Å; L438-L441 VanDerWaalsContact O-CG 3.23Å; L438-L441 WeakPolarHBondContact O-CG 3.45Å; L438-L441 PolarHBondContact O-N 3.06Å; L438-L441 VanDerWaalsContact O-N 3.13Å; L438-F465 HydrophobicContact CB-CD1 3.94Å; L438-F465 HydrophobicContact CB-CD2 4.43Å; L438-F465 HydrophobicContact CB-CE1 3.81Å; L438-F465 HydrophobicContact CB-CE2 4.31Å; L438-F465 HydrophobicContact CB-CG 4.26Å; L438-F465 HydrophobicContact CB-CZ 4.02Å; L438-F465 HydrophobicContact CD1-CD1 4.42Å; L438-F465 HydrophobicContact CD1-CD2 3.42Å; L438-F465 VanDerWaalsContact CD1-CD2 3.42Å; L438-F465 HydrophobicContact CD1-CE1 4.37Å; L438-F465 HydrophobicContact CD1-CE2 3.36Å; L438-F465 HydrophobicContact CD1-CG 3.99Å; L438-F465 HydrophobicContact CD1-CZ 3.89Å; L438-F465 HydrophobicContact CG-CE2 4.44Å; L438-V498 HydrophobicContact CD1-CG1 4.27Å; L438-V498 HydrophobicContact CD1-CG2 4.34Å; L438-L505 HydrophobicContact CD2-CD1 3.99Å
439M93.3Very high91.1Very high38 Ų3858 Ų5819%0.18731%0.306CS..G310 helixtrans-61.7-23.9167.3-76.4-54.999.600113Y435 D437 L441 E442 Y462 F465 L466Y435-M439 HydrophobicContact CD1-CG 3.82Å; Y435-M439 HydrophobicContact CD2-CE 4.17Å; Y435-M439 HydrophobicContact CE1-CE 4.41Å; Y435-M439 HydrophobicContact CE1-CG 3.36Å; Y435-M439 HydrophobicContact CE1-SD 3.95Å; Y435-M439 HydrophobicContact CE2-CE 3.71Å; Y435-M439 HydrophobicContact CE2-CG 4.35Å; Y435-M439 HydrophobicContact CE2-SD 4.13Å; Y435-M439 HydrophobicContact CG-CG 4.45Å; Y435-M439 VanDerWaalsContact O-CG 3.31Å; Y435-M439 WeakPolarHBondContact O-CG 3.07Å; Y435-M439 PolarHBondContact O-N 2.82Å; D437-M439 VanDerWaalsContact C-N 3.27Å; D437-M439 PolarHBondContact O-N 3.42Å; M439-L441 PolarHBondContact O-N 3.24Å; M439-E442 WeakPolarHBondContact O-CB 3.2Å; M439-E442 PolarHBondContact O-N 3.24Å; M439-Y462 HydrophobicContact CE-CD2 4.34Å; M439-Y462 HydrophobicContact CE-CE2 3.41Å; M439-Y462 VanDerWaalsContact CE-CE2 3.41Å; M439-Y462 HydrophobicContact SD-CE2 3.93Å; M439-Y462 PolarHBondContact SD-OH 3.37Å; M439-Y462 VanDerWaalsContact SD-OH 3.4Å; M439-F465 HydrophobicContact CE-CD1 3.87Å; M439-F465 HydrophobicContact CE-CE1 3.58Å; M439-L466 HydrophobicContact CE-CD2 3.49Å; M439-L466 VanDerWaalsContact CE-CD2 3.49Å; M439-L466 HydrophobicContact CE-CG 4.31Å; M439-L466 HydrophobicContact SD-CD2 4.28Å
440K90.6Very high90.6Very high100 Ų10060.7 Ų60.744%0.43532%0.315SS..G310 helixtrans-63.4-21.5175.4-60.3166.3-174.9159.90112.3D437 L438 E442 K443D437-K440 WeakPolarHBondContact O-CB 3.15Å; D437-K440 WeakPolarHBondContact O-CD 3.47Å; D437-K440 VanDerWaalsContact O-CG 3.3Å; D437-K440 WeakPolarHBondContact O-CG 3.39Å; D437-K440 PolarHBondContact O-N 3.34Å; D437-K440 VanDerWaalsContact O-N 3.1Å; D437-K440 IonicContact OD1-NZ 3.42Å; D437-K440 PolarHBondContact OD1-NZ 3.39Å; L438-K440 PolarHBondContact O-N 3.44Å; K440-E442 PolarHBondContact O-N 2.94Å; K440-K443 PolarHBondContact O-N 2.98Å
441L92.3Very high90.2Very high7 Ų757.8 Ų57.84%0.03730%0.3CS..G310 helixtrans-65.5-25.9178.4-60.5176.9000113.1L438 M439 K443 L444 I458 Y462 L505 L532L438-L441 HydrophobicContact CB-CD1 4.36Å; L438-L441 HydrophobicContact CD2-CD1 3.92Å; L438-L441 VanDerWaalsContact O-CB 3.25Å; L438-L441 WeakPolarHBondContact O-CB 3.34Å; L438-L441 VanDerWaalsContact O-CG 3.23Å; L438-L441 WeakPolarHBondContact O-CG 3.45Å; L438-L441 PolarHBondContact O-N 3.06Å; L438-L441 VanDerWaalsContact O-N 3.13Å; M439-L441 PolarHBondContact O-N 3.24Å; L441-K443 PolarHBondContact O-N 2.83Å; L441-L444 HydrophobicContact CD2-CD1 4.49Å; L441-L444 PolarHBondContact O-N 3.03Å; L441-L444 VanDerWaalsContact O-N 3.15Å; L441-I458 HydrophobicContact CB-CG2 4.15Å; L441-I458 HydrophobicContact CD2-CG2 4.21Å; L441-Y462 HydrophobicContact CB-CD2 3.92Å; L441-Y462 HydrophobicContact CB-CG 4.34Å; L441-L505 HydrophobicContact CD1-CD1 4.02Å; L441-L505 HydrophobicContact CD1-CD2 4.36Å; L441-L505 HydrophobicContact CD2-CD1 3.98Å; L441-L505 HydrophobicContact CD2-CD2 3.69Å; L441-L532 HydrophobicContact CD2-CD1 3.63Å
442E90.8Very high89.9Confident125 Ų12566.4 Ų66.458%0.58434%0.337SS*.G310 helixtrans-55.5-37.7-179.6-172.2-172.6-153.700112.2M439 K440 Y462M439-E442 WeakPolarHBondContact O-CB 3.2Å; M439-E442 PolarHBondContact O-N 3.24Å; K440-E442 PolarHBondContact O-N 2.94Å; E442-Y462 HydrophobicContact CB-CE1 3.93Å; E442-Y462 HydrophobicContact CB-CE2 4.13Å; E442-Y462 HydrophobicContact CG-CE1 3.94Å
443K88Confident89.7Confident177 Ų17769.1 Ų69.177%0.7736%0.36SS*.G310 helixtrans-103.83.3-175.9-61.4178.8-175.9171.70112.8K440 L441 E445K440-K443 PolarHBondContact O-N 2.98Å; L441-K443 PolarHBondContact O-N 2.83Å; K443-E445 PolarHBondContact O-N 3.1Å
444L90.4Very high89.6Confident14 Ų1467.4 Ų67.47%0.07335%0.347CS..  trans-84.2104.8-175.5-167148000109.6L441 I446 I458 F529 L532L441-L444 HydrophobicContact CD2-CD1 4.49Å; L441-L444 PolarHBondContact O-N 3.03Å; L441-L444 VanDerWaalsContact O-N 3.15Å; L444-I446 HydrophobicContact CD2-CD1 4.38Å; L444-I446 HydrophobicContact CD2-CG1 4.06Å; L444-I458 HydrophobicContact CB-CG2 4.48Å; L444-I458 HydrophobicContact CD2-CD1 3.27Å; L444-I458 HydrophobicContact CD2-CG1 4.22Å; L444-I458 HydrophobicContact CD2-CG2 4.27Å; L444-F529 HydrophobicContact CD1-CD1 4.34Å; L444-F529 HydrophobicContact CD1-CD2 4.4Å; L444-F529 HydrophobicContact CD1-CG 4.25Å; L444-F529 HydrophobicContact CD2-CE2 4.28Å; L444-F529 HydrophobicContact CD2-CZ 4.32Å; L444-L532 HydrophobicContact CD1-CD1 3.71Å
445E86.8Confident89.5Confident153 Ų15367.4 Ų67.472%0.71535%0.348SS*.  trans-115.9127.4176.9-65.9-171.3166.400110.8K443K443-E445 PolarHBondContact O-N 3.1Å
446I87.1Confident89.4Confident9 Ų969.8 Ų69.85%0.04636%0.363CS..  trans-94.7125.1176.4-58.5175.9000108.9L444 G451 L454 S455 I458 I508 A512 F529L444-I446 HydrophobicContact CD2-CD1 4.38Å; L444-I446 HydrophobicContact CD2-CG1 4.06Å; I446-G451 CarbonylContact O-C 3.53Å; I446-G451 WeakPolarHBondContact O-CA 3.45Å; I446-L454 HydrophobicContact CB-CB 4.4Å; I446-L454 HydrophobicContact CD1-CB 3.84Å; I446-L454 HydrophobicContact CD1-CD1 4.37Å; I446-L454 HydrophobicContact CG2-CD1 4.24Å; I446-S455 PolarHBondContact N-OG 3.49Å; I446-S455 PolarHBondContact O-OG 2.86Å; I446-I458 HydrophobicContact CD1-CD1 3.41Å; I446-I458 VanDerWaalsContact CD1-CD1 3.41Å; I446-I458 HydrophobicContact CG1-CD1 3.91Å; I446-I508 HydrophobicContact CD1-CG2 3.85Å; I446-A512 HydrophobicContact CD1-CB 3.95Å; I446-A512 HydrophobicContact CG2-CB 4.07Å; I446-F529 HydrophobicContact CD1-CE2 4.03Å; I446-F529 HydrophobicContact CD1-CZ 4.19Å
447G80.6Confident89.4Confident43 Ų4370.7 Ų70.744%0.44337%0.366SS..  trans-83.4179.6172.800000113.5G451G447-G451 WeakPolarHBondContact O-CA 3.39Å
448G80.6Confident89.5Confident53 Ų5368.8 Ų68.855%0.54636%0.356SS..SBendtrans91.4-173.4175.700000114.8R450 G451G448-R450 PolarHBondContact O-N 2.71Å; G448-G451 PolarHBondContact O-N 3.03Å; G448-G451 VanDerWaalsContact O-N 3.13Å
449I81.4Confident89.6Confident181 Ų18174.6 Ų74.693%0.92838%0.383SS*.THydrogen-bonded Turntrans-63.6-40.7-167.6-57.2170.3000111.6
450R85.5Confident89.6Confident107 Ų10777.1 Ų77.140%0.40440%0.397SS..THydrogen-bonded Turntrans-98.30.7176.7-66.7-175.558.7-143.24.7113.1G448 K452 A453 L454 D515G448-R450 PolarHBondContact O-N 2.71Å; R450-K452 PolarHBondContact O-N 3.36Å; R450-A453 PolarHBondContact O-N 3.49Å; R450-A453 VanDerWaalsContact O-N 3.07Å; R450-L454 HydrophobicContact CB-CD1 4.48Å; R450-L454 WeakPolarHBondContact O-CG 3.38Å; R450-L454 PolarHBondContact O-N 2.94Å; R450-L454 VanDerWaalsContact O-N 3.09Å; R450-D515 WeakPolarHBondContact CB-OD2 3.43Å; R450-D515 WeakPolarHBondContact CD-OD2 3.48Å; R450-D515 IonicContact CZ-OD2 3.74Å; R450-D515 IonicContact NE-OD2 3.13Å; R450-D515 IonicContact NH1-OD1 2.75Å; R450-D515 PolarHBondContact NH1-OD1 2.98Å; R450-D515 IonicContact NH1-OD2 2.66Å; R450-D515 PolarHBondContact NH1-OD2 3.42Å
451G87.2Confident89.8Confident1 Ų172.5 Ų72.51%0.0138%0.377CS..Hα-helixtrans-54.2-49.5-174.400000113.4I446 G447 G448 A453 L454 S455I446-G451 CarbonylContact O-C 3.53Å; I446-G451 WeakPolarHBondContact O-CA 3.45Å; G447-G451 WeakPolarHBondContact O-CA 3.39Å; G448-G451 PolarHBondContact O-N 3.03Å; G448-G451 VanDerWaalsContact O-N 3.13Å; G451-A453 VanDerWaalsContact C-N 3.28Å; G451-A453 PolarHBondContact O-N 2.78Å; G451-L454 PolarHBondContact O-N 2.9Å; G451-L454 VanDerWaalsContact O-N 3.14Å; G451-S455 WeakPolarHBondContact O-CB 3.37Å; G451-S455 PolarHBondContact O-N 3.48Å; G451-S455 PolarHBondContact O-OG 3.21Å
452K89.9Confident90Very high183 Ų18373.2 Ų73.280%0.79638%0.379SS*.Hα-helixtrans-57-39.3178.3-173.5176.7-1791790113.3R450 L456R450-K452 PolarHBondContact O-N 3.36Å; K452-L456 WeakPolarHBondContact O-CB 3.3Å; K452-L456 PolarHBondContact O-N 2.99Å
453A92.5Very high90.2Very high57 Ų5771.6 Ų71.647%0.47137%0.372SS..Hα-helixtrans-71.7-40.4179.600000111.5R450 G451 L456 Q457R450-A453 PolarHBondContact O-N 3.49Å; R450-A453 VanDerWaalsContact O-N 3.07Å; G451-A453 VanDerWaalsContact C-N 3.28Å; G451-A453 PolarHBondContact O-N 2.78Å; A453-L456 PolarHBondContact O-N 3.44Å; A453-Q457 WeakPolarHBondContact O-CG 3.4Å; A453-Q457 PolarHBondContact O-N 3.49Å
454L92.9Very high90.6Very high2 Ų267.1 Ų67.11%0.0135%0.354CS..Hα-helixtrans-70.2-42.3178.3-62175.4000111.8I446 R450 G451 L456 Q457 I458 I508 Q511 A512I446-L454 HydrophobicContact CB-CB 4.4Å; I446-L454 HydrophobicContact CD1-CB 3.84Å; I446-L454 HydrophobicContact CD1-CD1 4.37Å; I446-L454 HydrophobicContact CG2-CD1 4.24Å; R450-L454 HydrophobicContact CB-CD1 4.48Å; R450-L454 WeakPolarHBondContact O-CG 3.38Å; R450-L454 PolarHBondContact O-N 2.94Å; R450-L454 VanDerWaalsContact O-N 3.09Å; G451-L454 PolarHBondContact O-N 2.9Å; G451-L454 VanDerWaalsContact O-N 3.14Å; L454-L456 VanDerWaalsContact C-N 3.26Å; L454-L456 PolarHBondContact O-N 3.45Å; L454-Q457 WeakPolarHBondContact O-CB 3.3Å; L454-Q457 PolarHBondContact O-N 3.49Å; L454-Q457 VanDerWaalsContact O-N 3.07Å; L454-I458 PolarHBondContact O-N 3.02Å; L454-I508 HydrophobicContact CB-CG2 4.26Å; L454-I508 HydrophobicContact CD2-CG2 4.31Å; L454-Q511 HydrophobicContact CD1-CB 4.41Å; L454-Q511 HydrophobicContact CD2-CB 4.12Å; L454-A512 HydrophobicContact CD1-CB 3.96Å
455S93.2Very high90.8Very high24 Ų2467 Ų6717%0.16835%0.352CS..Hα-helixtrans-58.8-37.7173.5-58.20000112I446 G451 I458 Q459I446-S455 PolarHBondContact N-OG 3.49Å; I446-S455 PolarHBondContact O-OG 2.86Å; G451-S455 WeakPolarHBondContact O-CB 3.37Å; G451-S455 PolarHBondContact O-N 3.48Å; G451-S455 PolarHBondContact O-OG 3.21Å; S455-I458 PolarHBondContact O-N 2.86Å; S455-Q459 WeakPolarHBondContact O-CB 3.28Å; S455-Q459 PolarHBondContact O-N 3.34Å
456L93.9Very high91.2Very high94 Ų9461.9 Ų61.949%0.49233%0.33SS..Hα-helixtrans-66.6-37.2175.3-170.5145.2000112K452 A453 L454 Q459 L460K452-L456 WeakPolarHBondContact O-CB 3.3Å; K452-L456 PolarHBondContact O-N 2.99Å; A453-L456 PolarHBondContact O-N 3.44Å; L454-L456 VanDerWaalsContact C-N 3.26Å; L454-L456 PolarHBondContact O-N 3.45Å; L456-Q459 PolarHBondContact O-N 3.48Å; L456-L460 HydrophobicContact CD2-CD1 3.75Å; L456-L460 HydrophobicContact CD2-CG 4.28Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.26Å
457Q94.4Very high91.6Very high75 Ų7565 Ų6535%0.3535%0.347SS..Hα-helixtrans-65.1-40.5173.8-68.2176.820.100112A453 L454 Q459 L460 L461 I508A453-Q457 WeakPolarHBondContact O-CG 3.4Å; A453-Q457 PolarHBondContact O-N 3.49Å; L454-Q457 WeakPolarHBondContact O-CB 3.3Å; L454-Q457 PolarHBondContact O-N 3.49Å; L454-Q457 VanDerWaalsContact O-N 3.07Å; Q457-Q459 VanDerWaalsContact C-N 3.35Å; Q457-L460 PolarHBondContact O-N 3.32Å; Q457-L461 WeakPolarHBondContact O-CG 3.5Å; Q457-L461 PolarHBondContact O-N 3.15Å; Q457-I508 HydrophobicContact CB-CD1 3.81Å; Q457-I508 HydrophobicContact CB-CG1 4.48Å
458I94.8Very high92.3Very high1 Ų164.1 Ų64.11%0.00533%0.333CS..Hα-helixtrans-63.2-43174.6-69.9152.5000110.7L441 L444 I446 L454 S455 L460 L461 Y462 L505 I508L441-I458 HydrophobicContact CB-CG2 4.15Å; L441-I458 HydrophobicContact CD2-CG2 4.21Å; L444-I458 HydrophobicContact CB-CG2 4.48Å; L444-I458 HydrophobicContact CD2-CD1 3.27Å; L444-I458 HydrophobicContact CD2-CG1 4.22Å; L444-I458 HydrophobicContact CD2-CG2 4.27Å; I446-I458 HydrophobicContact CD1-CD1 3.41Å; I446-I458 VanDerWaalsContact CD1-CD1 3.41Å; I446-I458 HydrophobicContact CG1-CD1 3.91Å; L454-I458 PolarHBondContact O-N 3.02Å; S455-I458 PolarHBondContact O-N 2.86Å; I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 3.12Å; I458-L461 WeakPolarHBondContact O-CB 3.33Å; I458-L461 PolarHBondContact O-N 3.49Å; I458-Y462 WeakPolarHBondContact O-CB 3.3Å; I458-Y462 PolarHBondContact O-N 2.83Å; I458-L505 HydrophobicContact CG1-CD2 4.35Å; I458-I508 HydrophobicContact CD1-CG2 3.91Å; I458-I508 HydrophobicContact CG1-CD1 4.15Å; I458-I508 HydrophobicContact CG1-CG2 4.04Å
459Q94.7Very high93Very high122 Ų12262.4 Ų62.457%0.5731%0.311SS*.Hα-helixtrans-62.4-41177.6-169.8179.67.100111.8S455 L456 Q457 Y462 Q463S455-Q459 WeakPolarHBondContact O-CB 3.28Å; S455-Q459 PolarHBondContact O-N 3.34Å; L456-Q459 PolarHBondContact O-N 3.48Å; Q457-Q459 VanDerWaalsContact C-N 3.35Å; Q459-Y462 PolarHBondContact O-N 2.89Å; Q459-Q463 WeakPolarHBondContact O-CG 3.29Å; Q459-Q463 PolarHBondContact O-N 2.99Å
460L94.3Very high93.6Very high92 Ų9259.7 Ų59.748%0.48229%0.289SS..Hα-helixtrans-63.5-46.7174.6-71.4172.2000111.7L456 Q457 I458 Y462 Q463 E464L456-L460 HydrophobicContact CD2-CD1 3.75Å; L456-L460 HydrophobicContact CD2-CG 4.28Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.26Å; Q457-L460 PolarHBondContact O-N 3.32Å; I458-L460 VanDerWaalsContact C-N 3.33Å; I458-L460 PolarHBondContact O-N 3.12Å; L460-Y462 VanDerWaalsContact C-N 3.28Å; L460-Y462 PolarHBondContact O-N 3.31Å; L460-Q463 PolarHBondContact O-N 3.49Å; L460-E464 WeakPolarHBondContact O-CG 3.35Å; L460-E464 PolarHBondContact O-N 2.75Å
461L95Very high93.9Very high3 Ų358.3 Ų58.32%0.01629%0.292CS..Hα-helixtrans-57.1-42.2174.9-83.3169.5000112.4Q457 I458 E464 F465 A501 R504 L505 I508Q457-L461 WeakPolarHBondContact O-CG 3.5Å; Q457-L461 PolarHBondContact O-N 3.15Å; I458-L461 WeakPolarHBondContact O-CB 3.33Å; I458-L461 PolarHBondContact O-N 3.49Å; L461-E464 PolarHBondContact O-N 3.49Å; L461-F465 WeakPolarHBondContact O-CB 3.42Å; L461-F465 PolarHBondContact O-N 3.26Å; L461-A501 HydrophobicContact CD2-CB 4.19Å; L461-R504 HydrophobicContact CD1-CB 3.98Å; L461-R504 HydrophobicContact CD2-CB 4.06Å; L461-L505 HydrophobicContact CD1-CD2 3.93Å; L461-L505 HydrophobicContact CD1-CG 4.13Å; L461-I508 HydrophobicContact CD1-CD1 3.52Å
462Y95.8Very high94.2Very high21 Ų2158.9 Ų58.98%0.08229%0.294CS..Hα-helixtrans-63.1-43177.4178.5-116.3000111.9M439 L441 E442 I458 Q459 L460 F465 L466M439-Y462 HydrophobicContact CE-CD2 4.34Å; M439-Y462 HydrophobicContact CE-CE2 3.41Å; M439-Y462 VanDerWaalsContact CE-CE2 3.41Å; M439-Y462 HydrophobicContact SD-CE2 3.93Å; M439-Y462 PolarHBondContact SD-OH 3.37Å; M439-Y462 VanDerWaalsContact SD-OH 3.4Å; L441-Y462 HydrophobicContact CB-CD2 3.92Å; L441-Y462 HydrophobicContact CB-CG 4.34Å; E442-Y462 HydrophobicContact CB-CE1 3.93Å; E442-Y462 HydrophobicContact CB-CE2 4.13Å; E442-Y462 HydrophobicContact CG-CE1 3.94Å; I458-Y462 WeakPolarHBondContact O-CB 3.3Å; I458-Y462 PolarHBondContact O-N 2.83Å; Q459-Y462 PolarHBondContact O-N 2.89Å; L460-Y462 VanDerWaalsContact C-N 3.28Å; L460-Y462 PolarHBondContact O-N 3.31Å; Y462-F465 PolarHBondContact O-N 3.08Å; Y462-L466 HydrophobicContact CD1-CD1 4.09Å; Y462-L466 HydrophobicContact CE1-CD1 3.56Å; Y462-L466 HydrophobicContact CE1-CG 4.37Å; Y462-L466 HydrophobicContact CE2-CD1 4.26Å; Y462-L466 HydrophobicContact CE2-CD2 4.48Å; Y462-L466 HydrophobicContact CE2-CG 4.22Å; Y462-L466 WeakPolarHBondContact O-CG 3.46Å; Y462-L466 PolarHBondContact O-N 3.29Å
463Q95.9Very high94.3Very high92 Ų9251.3 Ų51.343%0.4326%0.263SS..Hα-helixtrans-66.1-44.3175.4-66.8-61.8-5300112.1Q459 L460 F465 L466 D467Q459-Q463 WeakPolarHBondContact O-CG 3.29Å; Q459-Q463 PolarHBondContact O-N 2.99Å; L460-Q463 PolarHBondContact O-N 3.49Å; Q463-F465 VanDerWaalsContact C-N 3.25Å; Q463-F465 PolarHBondContact O-N 2.98Å; Q463-L466 PolarHBondContact O-N 3.28Å; Q463-D467 PolarHBondContact O-N 2.83Å
464E95.4Very high94.2Very high83 Ų8355 Ų5539%0.38827%0.271SS..Hα-helixtrans-58.3-39.1175.4-71.7171.6-152.800111.8L460 L461 S468 R504L460-E464 WeakPolarHBondContact O-CG 3.35Å; L460-E464 PolarHBondContact O-N 2.75Å; L461-E464 PolarHBondContact O-N 3.49Å; E464-S468 WeakPolarHBondContact O-CB 3.46Å; E464-S468 PolarHBondContact O-N 3.02Å; E464-S468 PolarHBondContact O-OG 2.74Å; E464-R504 IonicContact OE1-CZ 2.81Å; E464-R504 IonicContact OE1-NH1 2.87Å; E464-R504 IonicContact OE1-NH2 3.71Å; E464-R504 PolarHBondContact OE1-NH2 3.3Å; E464-R504 VanDerWaalsContact OE1-NH2 3.15Å; E464-R504 IonicContact OE2-CZ 3.76Å; E464-R504 IonicContact OE2-NH1 3.17Å; E464-R504 PolarHBondContact OE2-NH1 2.88Å; E464-R504 IonicContact OE2-NH2 3.19Å; E464-R504 PolarHBondContact OE2-NH2 3.29Å
465F95.8Very high94Very high11 Ų1159.1 Ų59.15%0.04829%0.289CS..Hα-helixtrans-65.1-49.9174.7172.8-103.9000111.9Y435 L438 M439 L461 Y462 Q463 D467 S468 Y469 F494 V498Y435-F465 AromaticContact CD2-CE1 3.83Å; Y435-F465 HydrophobicContact CD2-CE1 3.83Å; Y435-F465 AromaticContact CD2-CZ 3.96Å; Y435-F465 HydrophobicContact CD2-CZ 3.96Å; Y435-F465 HydrophobicContact CE2-CE1 4.37Å; L438-F465 HydrophobicContact CB-CD1 3.94Å; L438-F465 HydrophobicContact CB-CD2 4.43Å; L438-F465 HydrophobicContact CB-CE1 3.81Å; L438-F465 HydrophobicContact CB-CE2 4.31Å; L438-F465 HydrophobicContact CB-CG 4.26Å; L438-F465 HydrophobicContact CB-CZ 4.02Å; L438-F465 HydrophobicContact CD1-CD1 4.42Å; L438-F465 HydrophobicContact CD1-CD2 3.42Å; L438-F465 VanDerWaalsContact CD1-CD2 3.42Å; L438-F465 HydrophobicContact CD1-CE1 4.37Å; L438-F465 HydrophobicContact CD1-CE2 3.36Å; L438-F465 HydrophobicContact CD1-CG 3.99Å; L438-F465 HydrophobicContact CD1-CZ 3.89Å; L438-F465 HydrophobicContact CG-CE2 4.44Å; M439-F465 HydrophobicContact CE-CD1 3.87Å; M439-F465 HydrophobicContact CE-CE1 3.58Å; L461-F465 WeakPolarHBondContact O-CB 3.42Å; L461-F465 PolarHBondContact O-N 3.26Å; Y462-F465 PolarHBondContact O-N 3.08Å; Q463-F465 VanDerWaalsContact C-N 3.25Å; Q463-F465 PolarHBondContact O-N 2.98Å; F465-D467 VanDerWaalsContact C-N 3.32Å; F465-D467 PolarHBondContact O-N 3.25Å; F465-S468 PolarHBondContact O-N 2.98Å; F465-S468 VanDerWaalsContact O-N 3.15Å; F465-Y469 HydrophobicContact CZ-CD2 4.42Å; F465-Y469 WeakPolarHBondContact O-CB 3.3Å; F465-Y469 PolarHBondContact O-N 3.27Å; F465-F494 AromaticContact CE2-CE2 3.9Å; F465-F494 HydrophobicContact CE2-CE2 3.9Å; F465-F494 AromaticContact CE2-CZ 3.56Å; F465-F494 HydrophobicContact CE2-CZ 3.56Å; F465-F494 HydrophobicContact CZ-CZ 4.11Å; F465-V498 HydrophobicContact CD2-CG2 4.44Å; F465-V498 HydrophobicContact CE2-CG2 4.12Å
466L95.1Very high93.7Very high46 Ų4664.4 Ų64.424%0.24132%0.322CS..Hα-helixtrans-58-43.9178.3-77.1176.9000112M439 Y462 Q463 S468 Y469 R470M439-L466 HydrophobicContact CE-CD2 3.49Å; M439-L466 VanDerWaalsContact CE-CD2 3.49Å; M439-L466 HydrophobicContact CE-CG 4.31Å; M439-L466 HydrophobicContact SD-CD2 4.28Å; Y462-L466 HydrophobicContact CD1-CD1 4.09Å; Y462-L466 HydrophobicContact CE1-CD1 3.56Å; Y462-L466 HydrophobicContact CE1-CG 4.37Å; Y462-L466 HydrophobicContact CE2-CD1 4.26Å; Y462-L466 HydrophobicContact CE2-CD2 4.48Å; Y462-L466 HydrophobicContact CE2-CG 4.22Å; Y462-L466 WeakPolarHBondContact O-CG 3.46Å; Y462-L466 PolarHBondContact O-N 3.29Å; Q463-L466 PolarHBondContact O-N 3.28Å; L466-S468 VanDerWaalsContact C-N 3.35Å; L466-Y469 PolarHBondContact O-N 3.14Å; L466-R470 WeakPolarHBondContact O-CB 3.2Å; L466-R470 PolarHBondContact O-N 3.04Å
467D95.3Very high93.4Very high74 Ų7462 Ų6240%0.39631%0.307SS..Hα-helixtrans-62.8-42.9176-82.3-32000111.7Q463 F465 R470 V471Q463-D467 PolarHBondContact O-N 2.83Å; F465-D467 VanDerWaalsContact C-N 3.32Å; F465-D467 PolarHBondContact O-N 3.25Å; D467-R470 PolarHBondContact O-N 2.8Å; D467-R470 IonicContact OD1-CZ 3.86Å; D467-R470 IonicContact OD1-NE 3.12Å; D467-R470 IonicContact OD1-NH2 2.62Å; D467-R470 PolarHBondContact OD1-NH2 3.46Å; D467-V471 VanDerWaalsContact O-CG2 3.31Å; D467-V471 WeakPolarHBondContact O-CG2 3.39Å; D467-V471 PolarHBondContact O-N 3.32Å
468S94.8Very high93.2Very high24 Ų2460.6 Ų60.617%0.16830%0.302CS..Hα-helixtrans-64.8-41.4177.7-640000112.2E464 F465 L466 F472E464-S468 WeakPolarHBondContact O-CB 3.46Å; E464-S468 PolarHBondContact O-N 3.02Å; E464-S468 PolarHBondContact O-OG 2.74Å; F465-S468 PolarHBondContact O-N 2.98Å; F465-S468 VanDerWaalsContact O-N 3.15Å; L466-S468 VanDerWaalsContact C-N 3.35Å; S468-F472 WeakPolarHBondContact O-CB 3.42Å; S468-F472 PolarHBondContact O-N 3.43Å; S468-F472 VanDerWaalsContact O-N 3.14Å
469Y94.5Very high93Very high17 Ų1761 Ų617%0.06730%0.304CS..Hα-helixtrans-64.8-46.9175.9-172-100.1000111L362 V431 Y435 F465 L466 V471 F472 T473 F494L362-Y469 PolarHBondContact O-OH 2.67Å; V431-Y469 HydrophobicContact CG1-CE2 3.89Å; Y435-Y469 AromaticContact CD2-CD1 3.63Å; Y435-Y469 HydrophobicContact CD2-CD1 3.63Å; Y435-Y469 AromaticContact CD2-CD2 3.7Å; Y435-Y469 HydrophobicContact CD2-CD2 3.7Å; Y435-Y469 AromaticContact CD2-CE1 3.61Å; Y435-Y469 HydrophobicContact CD2-CE1 3.61Å; Y435-Y469 AromaticContact CD2-CE2 3.66Å; Y435-Y469 HydrophobicContact CD2-CE2 3.66Å; Y435-Y469 AromaticContact CD2-CG 3.67Å; Y435-Y469 HydrophobicContact CD2-CG 3.67Å; Y435-Y469 AromaticContact CD2-CZ 3.63Å; Y435-Y469 AromaticContact CE2-CD1 3.58Å; Y435-Y469 HydrophobicContact CE2-CD1 3.58Å; Y435-Y469 HydrophobicContact CE2-CD2 4.48Å; Y435-Y469 AromaticContact CE2-CE1 3.64Å; Y435-Y469 HydrophobicContact CE2-CE1 3.64Å; Y435-Y469 HydrophobicContact CE2-CG 4.03Å; Y435-Y469 HydrophobicContact CG-CD2 4.48Å; Y435-Y469 HydrophobicContact CG-CE1 4.43Å; Y435-Y469 HydrophobicContact CG-CE2 4.1Å; F465-Y469 HydrophobicContact CZ-CD2 4.42Å; F465-Y469 WeakPolarHBondContact O-CB 3.3Å; F465-Y469 PolarHBondContact O-N 3.27Å; L466-Y469 PolarHBondContact O-N 3.14Å; Y469-V471 PolarHBondContact O-N 3.15Å; Y469-F472 WeakPolarHBondContact O-CB 3.35Å; Y469-F472 PolarHBondContact O-N 2.71Å; Y469-F472 VanDerWaalsContact O-N 3.12Å; Y469-T473 HydrophobicContact CD1-CG2 3.97Å; Y469-T473 HydrophobicContact CD2-CG2 4.43Å; Y469-T473 HydrophobicContact CE1-CG2 3.55Å; Y469-T473 HydrophobicContact CE2-CG2 4.08Å; Y469-T473 HydrophobicContact CG-CG2 4.4Å; Y469-T473 WeakPolarHBondContact O-CG2 3.34Å; Y469-T473 PolarHBondContact O-N 3.33Å; Y469-T473 PolarHBondContact O-OG1 2.92Å; Y469-F494 AromaticContact CD2-CE2 3.94Å; Y469-F494 HydrophobicContact CD2-CE2 3.94Å; Y469-F494 AromaticContact CD2-CZ 3.8Å; Y469-F494 HydrophobicContact CD2-CZ 3.8Å
470R93.9Very high92.9Very high125 Ų12555.2 Ų55.247%0.47228%0.278SS..Hα-helixtrans-56.5-50177.1178.6178.959.2166.7-5.1112.2L466 D467 F472 T473 E474L466-R470 WeakPolarHBondContact O-CB 3.2Å; L466-R470 PolarHBondContact O-N 3.04Å; D467-R470 PolarHBondContact O-N 2.8Å; D467-R470 IonicContact OD1-CZ 3.86Å; D467-R470 IonicContact OD1-NE 3.12Å; D467-R470 IonicContact OD1-NH2 2.62Å; D467-R470 PolarHBondContact OD1-NH2 3.46Å; R470-F472 PolarHBondContact O-N 2.83Å; R470-T473 PolarHBondContact O-N 3.39Å; R470-T473 PolarHBondContact O-OG1 3.03Å; R470-E474 WeakPolarHBondContact CD-OE1 3.49Å; R470-E474 VanDerWaalsContact CG-CD 3.42Å; R470-E474 HydrophobicContact CG-CG 4.1Å; R470-E474 WeakPolarHBondContact CG-OE1 3.45Å; R470-E474 WeakPolarHBondContact O-CB 3.37Å; R470-E474 VanDerWaalsContact O-CG 3.31Å; R470-E474 WeakPolarHBondContact O-CG 3.47Å; R470-E474 PolarHBondContact O-N 3.39Å
471V93.1Very high92.6Very high78 Ų7853.6 Ų53.647%0.47327%0.27SS..Hα-helixtrans-61.5-33.8179170.30000111.9D467 Y469D467-V471 VanDerWaalsContact O-CG2 3.31Å; D467-V471 WeakPolarHBondContact O-CG2 3.39Å; D467-V471 PolarHBondContact O-N 3.32Å; Y469-V471 PolarHBondContact O-N 3.15Å
472F93.3Very high91.9Very high12 Ų1254.7 Ų54.75%0.05328%0.279CS..Hα-helixtrans-70.5-43.4176169.6-100.4000111.9L362 V431 S468 Y469 R470 K475 F487 D490 V491 F494L362-F472 HydrophobicContact CD1-CE1 3.88Å; L362-F472 HydrophobicContact CD1-CZ 4.29Å; L362-F472 HydrophobicContact CD2-CE1 4.42Å; V431-F472 HydrophobicContact CG1-CE1 3.83Å; V431-F472 HydrophobicContact CG2-CE1 4.48Å; V431-F472 HydrophobicContact CG2-CZ 4.38Å; S468-F472 WeakPolarHBondContact O-CB 3.42Å; S468-F472 PolarHBondContact O-N 3.43Å; S468-F472 VanDerWaalsContact O-N 3.14Å; Y469-F472 WeakPolarHBondContact O-CB 3.35Å; Y469-F472 PolarHBondContact O-N 2.71Å; Y469-F472 VanDerWaalsContact O-N 3.12Å; R470-F472 PolarHBondContact O-N 2.83Å; F472-K475 VanDerWaalsContact O-CG 3.31Å; F472-K475 WeakPolarHBondContact O-CG 3.31Å; F472-F487 HydrophobicContact CE2-CD2 4.44Å; F472-F487 HydrophobicContact CE2-CE2 4.17Å; F472-F487 HydrophobicContact CZ-CD2 4.31Å; F472-F487 AromaticContact CZ-CE2 3.63Å; F472-F487 HydrophobicContact CZ-CE2 3.63Å; F472-F487 HydrophobicContact CZ-CZ 4.45Å; F472-D490 HydrophobicContact CD2-CB 3.95Å; F472-D490 HydrophobicContact CE2-CB 3.95Å; F472-V491 HydrophobicContact CE2-CG2 3.8Å; F472-V491 HydrophobicContact CZ-CG2 3.72Å; F472-F494 HydrophobicContact CB-CD2 4.33Å; F472-F494 HydrophobicContact CD2-CB 4.18Å; F472-F494 HydrophobicContact CG-CB 4.47Å; F472-F494 HydrophobicContact CG-CD2 4.45Å; F472-F494 HydrophobicContact CG-CG 4.49Å
473T91.8Very high91.2Very high24 Ų2458.8 Ų58.815%0.14731%0.306CS..Hα-helixtrans-81.9-22.7-17657.10000114.8L362 Y469 R470 K475L362-T473 HydrophobicContact CB-CG2 4.01Å; Y469-T473 HydrophobicContact CD1-CG2 3.97Å; Y469-T473 HydrophobicContact CD2-CG2 4.43Å; Y469-T473 HydrophobicContact CE1-CG2 3.55Å; Y469-T473 HydrophobicContact CE2-CG2 4.08Å; Y469-T473 HydrophobicContact CG-CG2 4.4Å; Y469-T473 WeakPolarHBondContact O-CG2 3.34Å; Y469-T473 PolarHBondContact O-N 3.33Å; Y469-T473 PolarHBondContact O-OG1 2.92Å; R470-T473 PolarHBondContact O-N 3.39Å; R470-T473 PolarHBondContact O-OG1 3.03Å; T473-K475 PolarHBondContact O-N 2.82Å
474E89.9Confident90.6Very high135 Ų13555.7 Ų55.763%0.63129%0.293SS*.THydrogen-bonded Turntrans-793.6179.1-73.9177.4172.800113.7R470R470-E474 WeakPolarHBondContact CD-OE1 3.49Å; R470-E474 VanDerWaalsContact CG-CD 3.42Å; R470-E474 HydrophobicContact CG-CG 4.1Å; R470-E474 WeakPolarHBondContact CG-OE1 3.45Å; R470-E474 WeakPolarHBondContact O-CB 3.37Å; R470-E474 VanDerWaalsContact O-CG 3.31Å; R470-E474 WeakPolarHBondContact O-CG 3.47Å; R470-E474 PolarHBondContact O-N 3.39Å
475K88.8Confident90.1Very high88 Ų8857 Ų5738%0.38331%0.306SS..  trans-67.9139.3177.8-63.6-69.7-171.51650110.7F472 T473 Y477F472-K475 VanDerWaalsContact O-CG 3.31Å; F472-K475 WeakPolarHBondContact O-CG 3.31Å; T473-K475 PolarHBondContact O-N 2.82Å; K475-Y477 VanDerWaalsContact C-N 3.25Å; K475-Y477 HydrophobicContact CB-CD1 3.89Å; K475-Y477 HydrophobicContact CB-CE1 3.47Å; K475-Y477 VanDerWaalsContact CB-CE1 3.47Å; K475-Y477 HydrophobicContact CB-CE2 4.28Å; K475-Y477 HydrophobicContact CB-CG 4.46Å; K475-Y477 HydrophobicContact CD-CE1 4.36Å; K475-Y477 HydrophobicContact CG-CE1 3.86Å; K475-Y477 PolarHBondContact O-N 3.15Å
476P86.8Confident89.9Confident135 Ų13562.4 Ų62.488%0.87733%0.332SS*.SBendtrans-80.71.6-171.133.6-37.8000114.5
477Y88.4Confident89.6Confident44 Ų4460.3 Ų60.317%0.17332%0.321CS..SBendtrans-87.3158-177.658.7-116.4000112.1K475 C479 N484 E486 F487 D490K475-Y477 VanDerWaalsContact C-N 3.25Å; K475-Y477 HydrophobicContact CB-CD1 3.89Å; K475-Y477 HydrophobicContact CB-CE1 3.47Å; K475-Y477 VanDerWaalsContact CB-CE1 3.47Å; K475-Y477 HydrophobicContact CB-CE2 4.28Å; K475-Y477 HydrophobicContact CB-CG 4.46Å; K475-Y477 HydrophobicContact CD-CE1 4.36Å; K475-Y477 HydrophobicContact CG-CE1 3.86Å; K475-Y477 PolarHBondContact O-N 3.15Å; Y477-C479 PolarHBondContact O-N 3.4Å; Y477-N484 WeakPolarHBondContact CB-ND2 3.33Å; Y477-E486 HydrophobicContact CD1-CB 4.38Å; Y477-E486 HydrophobicContact CE1-CB 4.33Å; Y477-F487 HydrophobicContact CD2-CB 4.29Å; Y477-F487 HydrophobicContact CE2-CB 3.77Å; Y477-F487 AromaticContact CE2-CD2 3.61Å; Y477-F487 HydrophobicContact CE2-CD2 3.61Å; Y477-F487 HydrophobicContact CE2-CG 4.11Å; Y477-D490 VanDerWaalsContact CE1-OD2 3.25Å; Y477-D490 WeakPolarHBondContact CE1-OD2 3.45Å; Y477-D490 VanDerWaalsContact OH-CB 3.31Å; Y477-D490 WeakPolarHBondContact OH-CB 3.5Å; Y477-D490 PolarHBondContact OH-OD2 2.99Å
478D89.6Confident89.3Confident46 Ų4660.5 Ų60.525%0.24632%0.319CS..  trans-76.2113.7172.5177.45.2000110.5R353 P358 L480 D481R353-D478 IonicContact CZ-OD2 3.01Å; R353-D478 IonicContact NH1-OD1 2.66Å; R353-D478 IonicContact NH1-OD2 3.16Å; R353-D478 PolarHBondContact NH1-OD2 3.35Å; R353-D478 IonicContact NH2-OD2 3.71Å; R353-D478 PolarHBondContact NH2-OD2 3.23Å; P358-D478 WeakPolarHBondContact CB-OD1 3.39Å; D478-L480 PolarHBondContact O-N 2.94Å; D478-L480 WeakPolarHBondContact OD1-CA 3.15Å; D478-L480 WeakPolarHBondContact OD1-CB 3.39Å; D478-L480 PolarHBondContact OD1-N 2.88Å; D478-D481 HydrophobicContact CB-CB 4.09Å; D478-D481 PolarHBondContact O-N 3.16Å; D478-D481 PolarHBondContact OD1-N 3.43Å
479C90.1Very high89.2Confident8 Ų860 Ų605%0.05432%0.318CS..THydrogen-bonded Turntrans-72.8-14.6178.367.50000113.9V361 L362 T424 Y477 F487V361-C479 WeakPolarHBondContact CG1-SG 3.26Å; L362-C479 HydrophobicContact CD1-CB 3.82Å; T424-C479 WeakPolarHBondContact CG2-O 3.37Å; Y477-C479 PolarHBondContact O-N 3.4Å; C479-F487 HydrophobicContact CB-CD2 3.94Å; C479-F487 HydrophobicContact CB-CE2 3.66Å; C479-F487 HydrophobicContact CB-CG 4.43Å; C479-F487 HydrophobicContact CB-CZ 4.01Å
480L92.3Very high89.1Confident1 Ų161 Ų611%0.00533%0.325CS..THydrogen-bonded Turntrans-92.8-0.1174.8-63.4-177.6000112.7R353 L356 P358 V361 F421 L425 I428 D478 A482R353-L480 HydrophobicContact CG-CD1 4.36Å; R353-L480 PolarHBondContact NH1-O 3.18Å; L356-L480 HydrophobicContact CB-CD1 3.78Å; L356-L480 HydrophobicContact CD1-CD1 4.16Å; L356-L480 HydrophobicContact CD1-CD2 4.1Å; P358-L480 HydrophobicContact CB-CD1 4.17Å; P358-L480 HydrophobicContact CG-CD1 3.99Å; V361-L480 HydrophobicContact CG1-CG 4.39Å; F421-L480 HydrophobicContact CE2-CB 4.21Å; F421-L480 HydrophobicContact CE2-CD2 4.44Å; F421-L480 WeakPolarHBondContact CE2-O 3.27Å; L425-L480 HydrophobicContact CD2-CD2 3.6Å; I428-L480 HydrophobicContact CD1-CD2 3.41Å; I428-L480 VanDerWaalsContact CD1-CD2 3.41Å; I428-L480 HydrophobicContact CD1-CG 4.45Å; D478-L480 PolarHBondContact O-N 2.94Å; D478-L480 WeakPolarHBondContact OD1-CA 3.15Å; D478-L480 WeakPolarHBondContact OD1-CB 3.39Å; D478-L480 PolarHBondContact OD1-N 2.88Å; L480-A482 PolarHBondContact O-N 3.44Å
481D88.8Confident89.1Confident59 Ų5955.2 Ų55.232%0.31630%0.303SS..  trans-79.9106172.7-176.43.1000110.6D478 T483 N484D478-D481 HydrophobicContact CB-CB 4.09Å; D478-D481 PolarHBondContact O-N 3.16Å; D478-D481 PolarHBondContact OD1-N 3.43Å; D481-T483 VanDerWaalsContact CG-OG1 3.29Å; D481-T483 PolarHBondContact O-N 3.45Å; D481-T483 WeakPolarHBondContact OD1-CB 3.42Å; D481-T483 PolarHBondContact OD1-N 2.72Å; D481-T483 PolarHBondContact OD1-OG1 3.05Å; D481-T483 PolarHBondContact OD2-OG1 3.06Å; D481-N484 HydrophobicContact CB-CB 4.18Å; D481-N484 WeakPolarHBondContact O-CB 2.85Å; D481-N484 PolarHBondContact O-N 3.01Å; D481-N484 VanDerWaalsContact O-N 3.16Å
482A80.4Confident89.1Confident26 Ų2658.3 Ų58.322%0.21531%0.306CS..THydrogen-bonded Turntrans-67.9-11.1179.600000114Q420 L480Q420-A482 HydrophobicContact CB-CB 4.02Å; L480-A482 PolarHBondContact O-N 3.44Å
483T82.1Confident89.2Confident107 Ų10762.2 Ų62.266%0.65633%0.328SS*.THydrogen-bonded Turntrans-89.8-10.5175.767.50000113.1D481 T485D481-T483 VanDerWaalsContact CG-OG1 3.29Å; D481-T483 PolarHBondContact O-N 3.45Å; D481-T483 WeakPolarHBondContact OD1-CB 3.42Å; D481-T483 PolarHBondContact OD1-N 2.72Å; D481-T483 PolarHBondContact OD1-OG1 3.05Å; D481-T483 PolarHBondContact OD2-OG1 3.06Å; T483-T485 PolarHBondContact O-N 3.2Å
484N82.8Confident89.4Confident27 Ų2761.4 Ų61.414%0.14432%0.322CS..  trans-82.3107.1-177.4-176.11000112Y477 D481 E486Y477-N484 WeakPolarHBondContact CB-ND2 3.33Å; D481-N484 HydrophobicContact CB-CB 4.18Å; D481-N484 WeakPolarHBondContact O-CB 2.85Å; D481-N484 PolarHBondContact O-N 3.01Å; D481-N484 VanDerWaalsContact O-N 3.16Å; N484-E486 VanDerWaalsContact C-N 3.33Å; N484-E486 VanDerWaalsContact OD1-CB 3.25Å; N484-E486 WeakPolarHBondContact OD1-CB 3.27Å; N484-E486 PolarHBondContact OD1-N 3.14Å
485T85.4Confident89.6Confident109 Ų10958.2 Ų58.267%0.66931%0.306SS*.Hα-helixtrans-76.1-17.4176.755.30000114.1T483 G489T483-T485 PolarHBondContact O-N 3.2Å; T485-G489 PolarHBondContact O-N 3.35Å
486E89.6Confident89.9Confident125 Ų12559.4 Ų59.458%0.58432%0.316SS*.Hα-helixtrans-67.9-42.8179.2-58.3-174.7168.300110.8Y477 N484 E488 G489 D490Y477-E486 HydrophobicContact CD1-CB 4.38Å; Y477-E486 HydrophobicContact CE1-CB 4.33Å; N484-E486 VanDerWaalsContact C-N 3.33Å; N484-E486 VanDerWaalsContact OD1-CB 3.25Å; N484-E486 WeakPolarHBondContact OD1-CB 3.27Å; N484-E486 PolarHBondContact OD1-N 3.14Å; E486-E488 VanDerWaalsContact C-N 3.34Å; E486-E488 PolarHBondContact O-N 3.05Å; E486-G489 WeakPolarHBondContact O-CA 3.45Å; E486-G489 PolarHBondContact O-N 3.25Å; E486-G489 VanDerWaalsContact O-N 3.07Å; E486-D490 PolarHBondContact O-N 3.08Å
487F90.1Very high90.3Very high3 Ų358.2 Ų58.21%0.01330%0.297CS..Hα-helixtrans-58.1-45.3177.4176.8-117.9000112.1L362 T424 I428 F472 Y477 C479 G489 D490 V491L362-F487 HydrophobicContact CD1-CE2 4.06Å; T424-F487 HydrophobicContact CG2-CD1 4.24Å; T424-F487 HydrophobicContact CG2-CE1 3.94Å; I428-F487 HydrophobicContact CD1-CZ 4.38Å; I428-F487 HydrophobicContact CG1-CE1 4.14Å; I428-F487 HydrophobicContact CG1-CZ 3.7Å; F472-F487 HydrophobicContact CE2-CD2 4.44Å; F472-F487 HydrophobicContact CE2-CE2 4.17Å; F472-F487 HydrophobicContact CZ-CD2 4.31Å; F472-F487 AromaticContact CZ-CE2 3.63Å; F472-F487 HydrophobicContact CZ-CE2 3.63Å; F472-F487 HydrophobicContact CZ-CZ 4.45Å; Y477-F487 HydrophobicContact CD2-CB 4.29Å; Y477-F487 HydrophobicContact CE2-CB 3.77Å; Y477-F487 AromaticContact CE2-CD2 3.61Å; Y477-F487 HydrophobicContact CE2-CD2 3.61Å; Y477-F487 HydrophobicContact CE2-CG 4.11Å; C479-F487 HydrophobicContact CB-CD2 3.94Å; C479-F487 HydrophobicContact CB-CE2 3.66Å; C479-F487 HydrophobicContact CB-CG 4.43Å; C479-F487 HydrophobicContact CB-CZ 4.01Å; F487-G489 VanDerWaalsContact C-N 3.26Å; F487-G489 PolarHBondContact O-N 3.11Å; F487-D490 PolarHBondContact O-N 3Å; F487-V491 HydrophobicContact CD1-CG2 4.33Å; F487-V491 HydrophobicContact CD2-CG2 3.97Å; F487-V491 HydrophobicContact CE1-CG2 3.92Å; F487-V491 HydrophobicContact CE2-CG2 3.58Å; F487-V491 HydrophobicContact CG-CG2 4.36Å; F487-V491 HydrophobicContact CZ-CG2 3.53Å; F487-V491 WeakPolarHBondContact O-CB 3.42Å; F487-V491 VanDerWaalsContact O-CG2 3.29Å; F487-V491 WeakPolarHBondContact O-CG2 3.36Å; F487-V491 PolarHBondContact O-N 3.21Å
488E88.6Confident90.7Very high78 Ų7856.4 Ų56.436%0.36429%0.291SS..Hα-helixtrans-62.1-35.4177.1-66.3-169.9164.600112.5E486 R492E486-E488 VanDerWaalsContact C-N 3.34Å; E486-E488 PolarHBondContact O-N 3.05Å; E488-R492 WeakPolarHBondContact O-CG 3.45Å; E488-R492 PolarHBondContact O-N 3.4Å; E488-R492 PolarHBondContact O-NH1 3.19Å
489G91.9Very high91Very high14 Ų1456.8 Ų56.814%0.14429%0.293CS..Hα-helixtrans-62.9-52.9173.200000112T485 E486 F487 V491 R492 D493T485-G489 PolarHBondContact O-N 3.35Å; E486-G489 WeakPolarHBondContact O-CA 3.45Å; E486-G489 PolarHBondContact O-N 3.25Å; E486-G489 VanDerWaalsContact O-N 3.07Å; F487-G489 VanDerWaalsContact C-N 3.26Å; F487-G489 PolarHBondContact O-N 3.11Å; G489-V491 VanDerWaalsContact C-N 3.32Å; G489-V491 PolarHBondContact O-N 2.8Å; G489-R492 WeakPolarHBondContact O-CB 3.46Å; G489-R492 PolarHBondContact O-N 2.97Å; G489-R492 VanDerWaalsContact O-N 3.08Å; G489-D493 PolarHBondContact O-N 2.69Å
490D93.4Very high91.3Very high38 Ų3860.1 Ų60.120%0.20331%0.31CS..Hα-helixtrans-63.1-36.8-179.1-78.2-14.4000112.3F472 Y477 E486 F487 R492 D493 F494F472-D490 HydrophobicContact CD2-CB 3.95Å; F472-D490 HydrophobicContact CE2-CB 3.95Å; Y477-D490 VanDerWaalsContact CE1-OD2 3.25Å; Y477-D490 WeakPolarHBondContact CE1-OD2 3.45Å; Y477-D490 VanDerWaalsContact OH-CB 3.31Å; Y477-D490 WeakPolarHBondContact OH-CB 3.5Å; Y477-D490 PolarHBondContact OH-OD2 2.99Å; E486-D490 PolarHBondContact O-N 3.08Å; F487-D490 PolarHBondContact O-N 3Å; D490-R492 VanDerWaalsContact C-N 3.34Å; D490-R492 PolarHBondContact O-N 3.15Å; D490-D493 PolarHBondContact O-N 3.03Å; D490-F494 WeakPolarHBondContact O-CB 3.38Å; D490-F494 PolarHBondContact O-N 3.34Å
491V93.4Very high91.4Very high3 Ų360.6 Ų60.62%0.01831%0.314CS..Hα-helixtrans-62.2-41.5173.4168.90000111N427 V431 F472 F487 G489 K495N427-V491 HydrophobicContact CB-CG1 4.32Å; V431-V491 HydrophobicContact CG2-CG1 4.36Å; V431-V491 HydrophobicContact CG2-CG2 4.5Å; F472-V491 HydrophobicContact CE2-CG2 3.8Å; F472-V491 HydrophobicContact CZ-CG2 3.72Å; F487-V491 HydrophobicContact CD1-CG2 4.33Å; F487-V491 HydrophobicContact CD2-CG2 3.97Å; F487-V491 HydrophobicContact CE1-CG2 3.92Å; F487-V491 HydrophobicContact CE2-CG2 3.58Å; F487-V491 HydrophobicContact CG-CG2 4.36Å; F487-V491 HydrophobicContact CZ-CG2 3.53Å; F487-V491 WeakPolarHBondContact O-CB 3.42Å; F487-V491 VanDerWaalsContact O-CG2 3.29Å; F487-V491 WeakPolarHBondContact O-CG2 3.36Å; F487-V491 PolarHBondContact O-N 3.21Å; G489-V491 VanDerWaalsContact C-N 3.32Å; G489-V491 PolarHBondContact O-N 2.8Å; V491-K495 HydrophobicContact CG1-CD 4.1Å; V491-K495 HydrophobicContact CG1-CG 4.45Å; V491-K495 WeakPolarHBondContact O-CB 3.43Å; V491-K495 VanDerWaalsContact O-CG 3.32Å; V491-K495 WeakPolarHBondContact O-CG 3.43Å; V491-K495 PolarHBondContact O-N 3.22Å
492R93.7Very high91.7Very high143 Ų14358 Ų5854%0.5430%0.3SS..Hα-helixtrans-64.3-45.3176.4-73.6-173.2-57.2-95.33.5111.3E488 G489 D490 F494 K495 L496E488-R492 WeakPolarHBondContact O-CG 3.45Å; E488-R492 PolarHBondContact O-N 3.4Å; E488-R492 PolarHBondContact O-NH1 3.19Å; G489-R492 WeakPolarHBondContact O-CB 3.46Å; G489-R492 PolarHBondContact O-N 2.97Å; G489-R492 VanDerWaalsContact O-N 3.08Å; D490-R492 VanDerWaalsContact C-N 3.34Å; D490-R492 PolarHBondContact O-N 3.15Å; R492-F494 VanDerWaalsContact C-N 3.33Å; R492-F494 PolarHBondContact O-N 3.34Å; R492-K495 PolarHBondContact O-N 3.15Å; R492-L496 WeakPolarHBondContact O-CG 3.44Å; R492-L496 PolarHBondContact O-N 2.68Å
493D94.8Very high92.4Very high93 Ų9362.8 Ų62.850%0.49731%0.313SS..Hα-helixtrans-64.4-39.7179.5-72.2-7.7000111.7G489 D490 L496 K497G489-D493 PolarHBondContact O-N 2.69Å; D490-D493 PolarHBondContact O-N 3.03Å; D493-L496 PolarHBondContact O-N 3.29Å; D493-K497 PolarHBondContact O-N 2.95Å
494F95.5Very high93.1Very high8 Ų861.8 Ų61.84%0.03530%0.297CS..Hα-helixtrans-62.3-47.1172.4176.8-100.9000111.7V431 T434 F465 Y469 F472 D490 R492 L496 K497 V498V431-F494 HydrophobicContact CG1-CE1 4.03Å; V431-F494 HydrophobicContact CG2-CD1 4.18Å; V431-F494 HydrophobicContact CG2-CE1 4.28Å; T434-F494 HydrophobicContact CG2-CE1 4.48Å; F465-F494 AromaticContact CE2-CE2 3.9Å; F465-F494 HydrophobicContact CE2-CE2 3.9Å; F465-F494 AromaticContact CE2-CZ 3.56Å; F465-F494 HydrophobicContact CE2-CZ 3.56Å; F465-F494 HydrophobicContact CZ-CZ 4.11Å; Y469-F494 AromaticContact CD2-CE2 3.94Å; Y469-F494 HydrophobicContact CD2-CE2 3.94Å; Y469-F494 AromaticContact CD2-CZ 3.8Å; Y469-F494 HydrophobicContact CD2-CZ 3.8Å; F472-F494 HydrophobicContact CB-CD2 4.33Å; F472-F494 HydrophobicContact CD2-CB 4.18Å; F472-F494 HydrophobicContact CG-CB 4.47Å; F472-F494 HydrophobicContact CG-CD2 4.45Å; F472-F494 HydrophobicContact CG-CG 4.49Å; D490-F494 WeakPolarHBondContact O-CB 3.38Å; D490-F494 PolarHBondContact O-N 3.34Å; R492-F494 VanDerWaalsContact C-N 3.33Å; R492-F494 PolarHBondContact O-N 3.34Å; F494-L496 VanDerWaalsContact C-N 3.3Å; F494-L496 PolarHBondContact O-N 3.04Å; F494-K497 PolarHBondContact O-N 3.14Å; F494-K497 VanDerWaalsContact O-N 3.12Å; F494-V498 HydrophobicContact CD1-CG2 4.16Å; F494-V498 HydrophobicContact CE1-CG2 3.74Å; F494-V498 HydrophobicContact CE2-CG2 4.28Å; F494-V498 HydrophobicContact CZ-CG2 3.82Å; F494-V498 WeakPolarHBondContact O-CG2 3.25Å; F494-V498 PolarHBondContact O-N 3.2Å
495K94.9Very high93.7Very high67 Ų6760.5 Ų60.529%0.29129%0.29SS..Hα-helixtrans-59-38.7176.7-77.7-179.8173.2-175.20111.9D430 V491 R492 K497 V498 D499D430-K495 IonicContact OD2-NZ 2.82Å; D430-K495 PolarHBondContact OD2-NZ 3.13Å; V491-K495 HydrophobicContact CG1-CD 4.1Å; V491-K495 HydrophobicContact CG1-CG 4.45Å; V491-K495 WeakPolarHBondContact O-CB 3.43Å; V491-K495 VanDerWaalsContact O-CG 3.32Å; V491-K495 WeakPolarHBondContact O-CG 3.43Å; V491-K495 PolarHBondContact O-N 3.22Å; R492-K495 PolarHBondContact O-N 3.15Å; K495-K497 PolarHBondContact O-N 2.93Å; K495-V498 PolarHBondContact O-N 3.28Å; K495-D499 PolarHBondContact O-N 2.92Å
496L95.8Very high94.1Very high113 Ų11355.3 Ų55.359%0.59226%0.258SS*.Hα-helixtrans-63-38.9175.2-72.2173.9000113.1R492 D493 F494 D499 D500R492-L496 WeakPolarHBondContact O-CG 3.44Å; R492-L496 PolarHBondContact O-N 2.68Å; D493-L496 PolarHBondContact O-N 3.29Å; F494-L496 VanDerWaalsContact C-N 3.3Å; F494-L496 PolarHBondContact O-N 3.04Å; L496-D499 PolarHBondContact O-N 3.17Å; L496-D500 PolarHBondContact O-N 2.7Å; L496-D500 VanDerWaalsContact O-N 3.14Å
497K95.4Very high94.4Very high110 Ų11051.4 Ų51.448%0.47825%0.248SC..Hα-helixtrans-68.4-39.6175.2-67.5177.7-178.5178.70112D493 F494 K495 D499 D500 A501D493-K497 PolarHBondContact O-N 2.95Å; F494-K497 PolarHBondContact O-N 3.14Å; F494-K497 VanDerWaalsContact O-N 3.12Å; K495-K497 PolarHBondContact O-N 2.93Å; K497-D499 VanDerWaalsContact C-N 3.34Å; K497-D500 PolarHBondContact O-N 2.72Å; K497-A501 PolarHBondContact O-N 2.76Å
498V95.8Very high94.6Very high6 Ų651.5 Ų51.54%0.03625%0.248CC..Hα-helixtrans-61.2-43.9173.4167.70000110.7T434 L438 F465 F494 K495 D500 A501 D502T434-V498 HydrophobicContact CG2-CB 4.31Å; T434-V498 HydrophobicContact CG2-CG1 3.58Å; T434-V498 HydrophobicContact CG2-CG2 3.77Å; L438-V498 HydrophobicContact CD1-CG1 4.27Å; L438-V498 HydrophobicContact CD1-CG2 4.34Å; F465-V498 HydrophobicContact CD2-CG2 4.44Å; F465-V498 HydrophobicContact CE2-CG2 4.12Å; F494-V498 HydrophobicContact CD1-CG2 4.16Å; F494-V498 HydrophobicContact CE1-CG2 3.74Å; F494-V498 HydrophobicContact CE2-CG2 4.28Å; F494-V498 HydrophobicContact CZ-CG2 3.82Å; F494-V498 WeakPolarHBondContact O-CG2 3.25Å; F494-V498 PolarHBondContact O-N 3.2Å; K495-V498 PolarHBondContact O-N 3.28Å; V498-D500 VanDerWaalsContact C-N 3.31Å; V498-D500 PolarHBondContact O-N 2.94Å; V498-A501 WeakPolarHBondContact O-CB 3.2Å; V498-A501 PolarHBondContact O-N 3.39Å; V498-A501 VanDerWaalsContact O-N 3.16Å; V498-D502 PolarHBondContact O-N 2.91Å
499D95.7Very high94.8Very high55 Ų5547.8 Ų47.829%0.29423%0.231SC..Hα-helixtrans-61.8-37.3177.5-80.93.3000112.4K495 L496 K497 R503 L537K495-D499 PolarHBondContact O-N 2.92Å; L496-D499 PolarHBondContact O-N 3.17Å; K497-D499 VanDerWaalsContact C-N 3.34Å; D499-R503 WeakPolarHBondContact O-CG 3.41Å; D499-R503 PolarHBondContact O-N 3.38Å; D499-R503 VanDerWaalsContact O-N 3.12Å; D499-R503 PolarHBondContact O-NH1 3.19Å; D499-R503 IonicContact OD2-NH2 3.12Å; D499-L537 HydrophobicContact CB-CD1 3.73Å
500D95.8Very high94.9Very high77 Ų7748.1 Ų48.141%0.41223%0.231SC..Hα-helixtrans-64.4-46.5172.3-178.172.6000111.7L496 K497 V498 D502 R503 R504L496-D500 PolarHBondContact O-N 2.7Å; L496-D500 VanDerWaalsContact O-N 3.14Å; K497-D500 PolarHBondContact O-N 2.72Å; V498-D500 VanDerWaalsContact C-N 3.31Å; V498-D500 PolarHBondContact O-N 2.94Å; D500-D502 VanDerWaalsContact C-N 3.33Å; D500-D502 PolarHBondContact O-N 3.38Å; D500-R503 PolarHBondContact O-N 2.81Å; D500-R504 WeakPolarHBondContact O-CG 3.47Å; D500-R504 PolarHBondContact O-N 3.1Å; D500-R504 WeakPolarHBondContact OD2-CD 3.44Å; D500-R504 IonicContact OD2-NH1 3.6Å; D500-R504 PolarHBondContact OD2-NH1 3.39Å
501A94.9Very high94.9Very high12 Ų1249.2 Ų49.210%0.09924%0.235CC..Hα-helixtrans-59.2-44.517700000111.5L461 K497 V498 R503 R504 L505L461-A501 HydrophobicContact CD2-CB 4.19Å; K497-A501 PolarHBondContact O-N 2.76Å; V498-A501 WeakPolarHBondContact O-CB 3.2Å; V498-A501 PolarHBondContact O-N 3.39Å; V498-A501 VanDerWaalsContact O-N 3.16Å; A501-R503 PolarHBondContact O-N 3.25Å; A501-R504 PolarHBondContact O-N 3.38Å; A501-L505 WeakPolarHBondContact O-CB 3.44Å; A501-L505 VanDerWaalsContact O-CG 3.3Å; A501-L505 WeakPolarHBondContact O-CG 3.42Å; A501-L505 PolarHBondContact O-N 3.26Å
502D95.6Very high94.9Very high4 Ų449.2 Ų49.22%0.02124%0.235CC..Hα-helixtrans-62.2-42.2177.4-79.7-21.8000112V498 D500 R504 L505 G506 R535 L537 I538V498-D502 PolarHBondContact O-N 2.91Å; D500-D502 VanDerWaalsContact C-N 3.33Å; D500-D502 PolarHBondContact O-N 3.38Å; D502-R504 PolarHBondContact O-N 3.26Å; D502-L505 PolarHBondContact O-N 3.06Å; D502-G506 PolarHBondContact O-N 2.98Å; D502-R535 IonicContact OD1-CZ 2.81Å; D502-R535 IonicContact OD1-NE 3.53Å; D502-R535 PolarHBondContact OD1-NE 3.33Å; D502-R535 IonicContact OD1-NH2 3.44Å; D502-R535 PolarHBondContact OD1-NH2 2.94Å; D502-R535 IonicContact OD2-CZ 3.63Å; D502-R535 IonicContact OD2-NE 2.96Å; D502-R535 PolarHBondContact OD2-NE 3.46Å; D502-R535 VanDerWaalsContact OD2-NE 3.15Å; D502-R535 IonicContact OD2-NH2 3.64Å; D502-R535 PolarHBondContact OD2-NH2 3.35Å; D502-L537 HydrophobicContact CB-CB 4Å; D502-L537 HydrophobicContact CB-CD1 4.13Å; D502-I538 HydrophobicContact CB-CD1 4.46Å; D502-I538 HydrophobicContact CB-CG1 4.19Å; D502-I538 WeakPolarHBondContact O-CG1 3.45Å
503R95.7Very high94.9Very high126 Ų12642.7 Ų42.748%0.47521%0.21SC..Hα-helixtrans-63.6-41.2175.1-71.1177.5-165.3102.26.1112D499 D500 A501 G506 A507 L537D499-R503 WeakPolarHBondContact O-CG 3.41Å; D499-R503 PolarHBondContact O-N 3.38Å; D499-R503 VanDerWaalsContact O-N 3.12Å; D499-R503 PolarHBondContact O-NH1 3.19Å; D499-R503 IonicContact OD2-NH2 3.12Å; D500-R503 PolarHBondContact O-N 2.81Å; A501-R503 PolarHBondContact O-N 3.25Å; R503-G506 PolarHBondContact O-N 3.29Å; R503-A507 PolarHBondContact O-N 2.91Å; R503-L537 HydrophobicContact CG-CD1 4.36Å
504R95.9Very high94.7Very high86 Ų8642.4 Ų42.433%0.32521%0.209SC..Hα-helixtrans-65.6-39.9176-71.2167.164.3-166.9-4.7111.2L461 E464 D500 A501 D502 A507 I508L461-R504 HydrophobicContact CD1-CB 3.98Å; L461-R504 HydrophobicContact CD2-CB 4.06Å; E464-R504 IonicContact OE1-CZ 2.81Å; E464-R504 IonicContact OE1-NH1 2.87Å; E464-R504 IonicContact OE1-NH2 3.71Å; E464-R504 PolarHBondContact OE1-NH2 3.3Å; E464-R504 VanDerWaalsContact OE1-NH2 3.15Å; E464-R504 IonicContact OE2-CZ 3.76Å; E464-R504 IonicContact OE2-NH1 3.17Å; E464-R504 PolarHBondContact OE2-NH1 2.88Å; E464-R504 IonicContact OE2-NH2 3.19Å; E464-R504 PolarHBondContact OE2-NH2 3.29Å; D500-R504 WeakPolarHBondContact O-CG 3.47Å; D500-R504 PolarHBondContact O-N 3.1Å; D500-R504 WeakPolarHBondContact OD2-CD 3.44Å; D500-R504 IonicContact OD2-NH1 3.6Å; D500-R504 PolarHBondContact OD2-NH1 3.39Å; A501-R504 PolarHBondContact O-N 3.38Å; D502-R504 PolarHBondContact O-N 3.26Å; R504-A507 PolarHBondContact O-N 3.19Å; R504-I508 VanDerWaalsContact O-CG1 3.28Å; R504-I508 WeakPolarHBondContact O-CG1 3.22Å; R504-I508 PolarHBondContact O-N 3.37Å
505L95.3Very high94.4Very high0 Ų045.3 Ų45.30%023%0.225CC..Hα-helixtrans-63.2-40.9173-73.2170.9000112.1L438 L441 I458 L461 A501 D502 A507 I508 F509 I538L438-L505 HydrophobicContact CD2-CD1 3.99Å; L441-L505 HydrophobicContact CD1-CD1 4.02Å; L441-L505 HydrophobicContact CD1-CD2 4.36Å; L441-L505 HydrophobicContact CD2-CD1 3.98Å; L441-L505 HydrophobicContact CD2-CD2 3.69Å; I458-L505 HydrophobicContact CG1-CD2 4.35Å; L461-L505 HydrophobicContact CD1-CD2 3.93Å; L461-L505 HydrophobicContact CD1-CG 4.13Å; A501-L505 WeakPolarHBondContact O-CB 3.44Å; A501-L505 VanDerWaalsContact O-CG 3.3Å; A501-L505 WeakPolarHBondContact O-CG 3.42Å; A501-L505 PolarHBondContact O-N 3.26Å; D502-L505 PolarHBondContact O-N 3.06Å; L505-A507 VanDerWaalsContact C-N 3.34Å; L505-A507 PolarHBondContact O-N 3.37Å; L505-I508 PolarHBondContact O-N 2.94Å; L505-F509 WeakPolarHBondContact O-CB 3.31Å; L505-F509 PolarHBondContact O-N 3.42Å; L505-I538 HydrophobicContact CB-CD1 3.84Å; L505-I538 HydrophobicContact CB-CG1 4.34Å; L505-I538 HydrophobicContact CD1-CD1 4.14Å
506G94.6Very high94.1Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-59.8-42.2173.400000112.7D502 R503 F509 C510 D541D502-G506 PolarHBondContact O-N 2.98Å; R503-G506 PolarHBondContact O-N 3.29Å; G506-F509 WeakPolarHBondContact O-CB 3.3Å; G506-F509 PolarHBondContact O-N 3.22Å; G506-C510 PolarHBondContact O-N 3.05Å; G506-C510 PolarHBondContact O-SG 2.96Å; G506-C510 VanDerWaalsContact O-SG 3.33Å; G506-D541 WeakPolarHBondContact CA-OD2 3.42Å
507A94.6Very high93.6Very high44 Ų4443 Ų4336%0.36423%0.228SC..Hα-helixtrans-65.4-41173.700000112.8R503 R504 L505 C510 Q511R503-A507 PolarHBondContact O-N 2.91Å; R504-A507 PolarHBondContact O-N 3.19Å; L505-A507 VanDerWaalsContact C-N 3.34Å; L505-A507 PolarHBondContact O-N 3.37Å; A507-C510 PolarHBondContact O-N 2.96Å; A507-Q511 WeakPolarHBondContact O-CG 3.28Å; A507-Q511 PolarHBondContact O-N 3.26Å
508I94.4Very high93.2Very high4 Ų439 Ų392%0.02122%0.218CC..Hα-helixtrans-63.7-43.7175.2-69.3166.1000110.4I446 L454 Q457 I458 L461 R504 L505 C510 Q511 A512 F529I446-I508 HydrophobicContact CD1-CG2 3.85Å; L454-I508 HydrophobicContact CB-CG2 4.26Å; L454-I508 HydrophobicContact CD2-CG2 4.31Å; Q457-I508 HydrophobicContact CB-CD1 3.81Å; Q457-I508 HydrophobicContact CB-CG1 4.48Å; I458-I508 HydrophobicContact CD1-CG2 3.91Å; I458-I508 HydrophobicContact CG1-CD1 4.15Å; I458-I508 HydrophobicContact CG1-CG2 4.04Å; L461-I508 HydrophobicContact CD1-CD1 3.52Å; R504-I508 VanDerWaalsContact O-CG1 3.28Å; R504-I508 WeakPolarHBondContact O-CG1 3.22Å; R504-I508 PolarHBondContact O-N 3.37Å; L505-I508 PolarHBondContact O-N 2.94Å; I508-C510 VanDerWaalsContact C-N 3.34Å; I508-C510 PolarHBondContact O-N 3.4Å; I508-Q511 PolarHBondContact O-N 3.44Å; I508-A512 WeakPolarHBondContact O-CB 3.23Å; I508-A512 PolarHBondContact O-N 3.2Å; I508-F529 HydrophobicContact CG2-CZ 4.32Å
509F94.6Very high92.9Very high0 Ų039.4 Ų39.40%022%0.22CC..Hα-helixtrans-56.4-48.8174.3172.3-90.1000110.8L505 G506 Q511 A512 F513 V525 L526 F529 T533 V542 K545L505-F509 WeakPolarHBondContact O-CB 3.31Å; L505-F509 PolarHBondContact O-N 3.42Å; G506-F509 WeakPolarHBondContact O-CB 3.3Å; G506-F509 PolarHBondContact O-N 3.22Å; F509-Q511 VanDerWaalsContact C-N 3.33Å; F509-Q511 PolarHBondContact O-N 3.06Å; F509-A512 PolarHBondContact O-N 3.24Å; F509-F513 HydrophobicContact CE1-CB 4.32Å; F509-F513 HydrophobicContact CE1-CD2 4.06Å; F509-F513 HydrophobicContact CE1-CG 4.49Å; F509-F513 AromaticContact CZ-CD2 3.77Å; F509-F513 HydrophobicContact CZ-CD2 3.77Å; F509-F513 VanDerWaalsContact O-CB 3.29Å; F509-F513 WeakPolarHBondContact O-CB 3.25Å; F509-F513 PolarHBondContact O-N 3.03Å; F509-V525 HydrophobicContact CD2-CG1 4.17Å; F509-V525 HydrophobicContact CE2-CG1 4Å; F509-L526 HydrophobicContact CE2-CD2 3.87Å; F509-L526 HydrophobicContact CE2-CG 4.43Å; F509-L526 HydrophobicContact CZ-CD2 3.57Å; F509-L526 HydrophobicContact CZ-CG 4.28Å; F509-F529 HydrophobicContact CB-CD1 4.28Å; F509-F529 HydrophobicContact CB-CE1 3.83Å; F509-F529 HydrophobicContact CB-CE2 4.37Å; F509-F529 HydrophobicContact CB-CZ 3.88Å; F509-F529 HydrophobicContact CD2-CB 4.29Å; F509-F529 HydrophobicContact CD2-CD1 4.07Å; F509-F529 AromaticContact CD2-CD2 3.75Å; F509-F529 HydrophobicContact CD2-CD2 3.75Å; F509-F529 HydrophobicContact CD2-CE1 4.32Å; F509-F529 HydrophobicContact CD2-CE2 4.02Å; F509-F529 AromaticContact CD2-CG 3.77Å; F509-F529 HydrophobicContact CD2-CG 3.77Å; F509-F529 HydrophobicContact CD2-CZ 4.3Å; F509-F529 HydrophobicContact CE2-CD2 4.44Å; F509-F529 HydrophobicContact CE2-CG 4.49Å; F509-T533 HydrophobicContact CE2-CG2 4.41Å; F509-V542 HydrophobicContact CD1-CB 4.49Å; F509-V542 HydrophobicContact CD1-CG2 3.67Å; F509-V542 HydrophobicContact CD2-CG2 4.35Å; F509-V542 HydrophobicContact CE1-CB 4Å; F509-V542 HydrophobicContact CE1-CG1 4.13Å; F509-V542 HydrophobicContact CE1-CG2 3.55Å; F509-V542 HydrophobicContact CE2-CG2 4.22Å; F509-V542 HydrophobicContact CG-CG2 4.1Å; F509-V542 HydrophobicContact CZ-CB 4.33Å; F509-V542 HydrophobicContact CZ-CG1 4.01Å; F509-V542 HydrophobicContact CZ-CG2 3.84Å; F509-K545 HydrophobicContact CE1-CG 4.16Å
510C93.9Very high92.5Very high21 Ų2143 Ų4314%0.14224%0.235CC..Hα-helixtrans-58.7-43.7178.7-74.50000112.3G506 A507 I508 F513 D514 K545G506-C510 PolarHBondContact O-N 3.05Å; G506-C510 PolarHBondContact O-SG 2.96Å; G506-C510 VanDerWaalsContact O-SG 3.33Å; A507-C510 PolarHBondContact O-N 2.96Å; I508-C510 VanDerWaalsContact C-N 3.34Å; I508-C510 PolarHBondContact O-N 3.4Å; C510-F513 PolarHBondContact O-N 2.85Å; C510-D514 WeakPolarHBondContact O-CB 3.12Å; C510-D514 PolarHBondContact O-N 2.83Å; C510-K545 WeakPolarHBondContact SG-CE 3.46Å
511Q93.5Very high92.2Very high62 Ų6241.3 Ų41.329%0.2923%0.225SC..Hα-helixtrans-64.6-45.1177.1-69.2179.543.700111.8L454 A507 I508 F509 F513 D514 D515L454-Q511 HydrophobicContact CD1-CB 4.41Å; L454-Q511 HydrophobicContact CD2-CB 4.12Å; A507-Q511 WeakPolarHBondContact O-CG 3.28Å; A507-Q511 PolarHBondContact O-N 3.26Å; I508-Q511 PolarHBondContact O-N 3.44Å; F509-Q511 VanDerWaalsContact C-N 3.33Å; F509-Q511 PolarHBondContact O-N 3.06Å; Q511-F513 VanDerWaalsContact C-N 3.28Å; Q511-F513 PolarHBondContact O-N 3.31Å; Q511-D514 PolarHBondContact O-N 2.91Å; Q511-D515 WeakPolarHBondContact O-CB 3.39Å; Q511-D515 VanDerWaalsContact O-CG 3.25Å; Q511-D515 PolarHBondContact O-N 3.44Å
512A92.4Very high92Very high3 Ų340.8 Ų40.83%0.02522%0.22CC..Hα-helixtrans-62.1-38.2177.200000112.1I446 L454 I508 F509 A516 V525I446-A512 HydrophobicContact CD1-CB 3.95Å; I446-A512 HydrophobicContact CG2-CB 4.07Å; L454-A512 HydrophobicContact CD1-CB 3.96Å; I508-A512 WeakPolarHBondContact O-CB 3.23Å; I508-A512 PolarHBondContact O-N 3.2Å; F509-A512 PolarHBondContact O-N 3.24Å; A512-A516 PolarHBondContact O-N 3.18Å; A512-V525 HydrophobicContact CB-CG1 3.91Å; A512-V525 HydrophobicContact CB-CG2 4.49Å
513F92.8Very high91.8Very high5 Ų540.9 Ų40.92%0.02222%0.22CC..Hα-helixtrans-66.3-45.9176.5-170.8-75.1000111.5F509 C510 Q511 A516 T522 L526 K545 L548 L549F509-F513 HydrophobicContact CE1-CB 4.32Å; F509-F513 HydrophobicContact CE1-CD2 4.06Å; F509-F513 HydrophobicContact CE1-CG 4.49Å; F509-F513 AromaticContact CZ-CD2 3.77Å; F509-F513 HydrophobicContact CZ-CD2 3.77Å; F509-F513 VanDerWaalsContact O-CB 3.29Å; F509-F513 WeakPolarHBondContact O-CB 3.25Å; F509-F513 PolarHBondContact O-N 3.03Å; C510-F513 PolarHBondContact O-N 2.85Å; Q511-F513 VanDerWaalsContact C-N 3.28Å; Q511-F513 PolarHBondContact O-N 3.31Å; F513-A516 WeakPolarHBondContact O-CB 3.48Å; F513-A516 PolarHBondContact O-N 3.46Å; F513-T522 HydrophobicContact CD1-CG2 4.23Å; F513-T522 HydrophobicContact CD2-CG2 3.56Å; F513-T522 HydrophobicContact CE1-CG2 3.76Å; F513-T522 HydrophobicContact CE2-CG2 3.06Å; F513-T522 HydrophobicContact CG-CG2 4.12Å; F513-T522 HydrophobicContact CZ-CG2 3.17Å; F513-L526 HydrophobicContact CE2-CD1 4.41Å; F513-K545 HydrophobicContact CD1-CB 4.03Å; F513-K545 HydrophobicContact CD1-CD 4.03Å; F513-K545 HydrophobicContact CD1-CG 4.13Å; F513-K545 HydrophobicContact CD2-CB 4.08Å; F513-K545 HydrophobicContact CD2-CG 4.45Å; F513-K545 HydrophobicContact CE1-CB 3.88Å; F513-K545 HydrophobicContact CE1-CD 4.42Å; F513-K545 HydrophobicContact CE1-CG 4.45Å; F513-K545 HydrophobicContact CE2-CB 3.87Å; F513-K545 HydrophobicContact CG-CB 4.15Å; F513-K545 HydrophobicContact CG-CD 4.46Å; F513-K545 HydrophobicContact CG-CG 4.15Å; F513-K545 HydrophobicContact CZ-CB 3.78Å; F513-L548 HydrophobicContact CD1-CD2 4.2Å; F513-L548 HydrophobicContact CE1-CB 4.24Å; F513-L548 HydrophobicContact CE1-CD2 3.77Å; F513-L548 HydrophobicContact CE1-CG 4.01Å; F513-L549 HydrophobicContact CZ-CB 4.02Å; F513-L549 HydrophobicContact CZ-CD1 4.42Å
514D91Very high91.5Very high87 Ų8739.3 Ų39.347%0.46522%0.217SC..Hα-helixtrans-70.4-31.2-178.5-66.9-24.9000112.3C510 Q511 A516 K545C510-D514 WeakPolarHBondContact O-CB 3.12Å; C510-D514 PolarHBondContact O-N 2.83Å; Q511-D514 PolarHBondContact O-N 2.91Å; D514-A516 VanDerWaalsContact C-N 3.26Å; D514-A516 PolarHBondContact O-N 3.24Å; D514-K545 IonicContact OD1-NZ 3.33Å; D514-K545 PolarHBondContact OD1-NZ 3.31Å; D514-K545 IonicContact OD2-NZ 2.93Å; D514-K545 PolarHBondContact OD2-NZ 3.47Å
515D89.3Confident91.3Very high70 Ų7035.3 Ų35.337%0.37420%0.202SC..THydrogen-bonded Turntrans-80.5-3.1176.7-69.7-32.1000113.4R450 Q511 S517R450-D515 WeakPolarHBondContact CB-OD2 3.43Å; R450-D515 WeakPolarHBondContact CD-OD2 3.48Å; R450-D515 IonicContact CZ-OD2 3.74Å; R450-D515 IonicContact NE-OD2 3.13Å; R450-D515 IonicContact NH1-OD1 2.75Å; R450-D515 PolarHBondContact NH1-OD1 2.98Å; R450-D515 IonicContact NH1-OD2 2.66Å; R450-D515 PolarHBondContact NH1-OD2 3.42Å; Q511-D515 WeakPolarHBondContact O-CB 3.39Å; Q511-D515 VanDerWaalsContact O-CG 3.25Å; Q511-D515 PolarHBondContact O-N 3.44Å; D515-S517 PolarHBondContact O-N 3.42Å
516A88.9Confident91Very high20 Ų2035.9 Ų35.917%0.16521%0.205CC..  trans-65.4130.3-178.600000111.5A512 F513 D514 G518 H521 T522A512-A516 PolarHBondContact O-N 3.18Å; F513-A516 WeakPolarHBondContact O-CB 3.48Å; F513-A516 PolarHBondContact O-N 3.46Å; D514-A516 VanDerWaalsContact C-N 3.26Å; D514-A516 PolarHBondContact O-N 3.24Å; A516-G518 PolarHBondContact O-N 3.01Å; A516-G518 VanDerWaalsContact O-N 3.08Å; A516-H521 HydrophobicContact CB-CB 4.12Å; A516-T522 WeakPolarHBondContact CB-OG1 3.43Å
517S85.2Confident90.8Very high110 Ų11041 Ų4177%0.76923%0.229SC*.SBendtrans-71.7-3.4-174.658.10000115.2D515 H521D515-S517 PolarHBondContact O-N 3.42Å; S517-H521 PolarHBondContact OG-ND1 2.96Å
518G87.1Confident90.5Very high28 Ų2842.2 Ų42.229%0.28923%0.228SC..SBendtrans161.1177.9-177.300000112.3A516 E520 H521 T522A516-G518 PolarHBondContact O-N 3.01Å; A516-G518 VanDerWaalsContact O-N 3.08Å; G518-E520 VanDerWaalsContact C-N 3.34Å; G518-E520 PolarHBondContact O-N 3.49Å; G518-H521 WeakPolarHBondContact O-CB 3.46Å; G518-H521 PolarHBondContact O-N 3.38Å; G518-T522 PolarHBondContact O-N 2.97Å; G518-T522 PolarHBondContact O-OG1 3.47Å; G518-T522 VanDerWaalsContact O-OG1 3.1Å
519L89.9Confident90.3Very high13 Ų1342.2 Ų42.27%0.06823%0.228CC..Hα-helixtrans-55.5-42.8-170.6-175.967.7000114.1H521 T522 F523 L549 L552 F553 E556 P603L519-H521 VanDerWaalsContact C-N 3.32Å; L519-H521 PolarHBondContact O-N 3.23Å; L519-T522 PolarHBondContact O-N 2.71Å; L519-F523 HydrophobicContact CD1-CD2 4.14Å; L519-F523 HydrophobicContact CD1-CE2 3.5Å; L519-F523 VanDerWaalsContact CD1-CE2 3.5Å; L519-F523 HydrophobicContact CD1-CZ 4.19Å; L519-F523 HydrophobicContact CD2-CE2 4.14Å; L519-F523 HydrophobicContact CG-CD2 3.98Å; L519-F523 HydrophobicContact CG-CE2 3.6Å; L519-F523 VanDerWaalsContact O-CD2 3.23Å; L519-F523 WeakPolarHBondContact O-CD2 3.36Å; L519-F523 PolarHBondContact O-N 3.01Å; L519-F523 VanDerWaalsContact O-N 3.08Å; L519-L549 HydrophobicContact CD1-CD1 3.76Å; L519-L552 HydrophobicContact CD1-CB 3.94Å; L519-F553 HydrophobicContact CD1-CB 4.22Å; L519-F553 HydrophobicContact CD2-CB 4.15Å; L519-F553 HydrophobicContact CD2-CD2 3.67Å; L519-F553 HydrophobicContact CD2-CG 4.39Å; L519-E556 HydrophobicContact CD2-CB 4.03Å; L519-E556 HydrophobicContact CD2-CG 4.13Å; L519-P603 HydrophobicContact CD2-CB 3.69Å; L519-P603 HydrophobicContact CD2-CG 4.05Å
520E87.8Confident90.1Very high131 Ų13143.7 Ų43.761%0.61224%0.243SC*.Hα-helixtrans-62.8-40.5179.1-168.7-167.7146.900111.8G518 F523 K524G518-E520 VanDerWaalsContact C-N 3.34Å; G518-E520 PolarHBondContact O-N 3.49Å; E520-F523 PolarHBondContact O-N 3.31Å; E520-K524 WeakPolarHBondContact O-CG 3.4Å; E520-K524 PolarHBondContact O-N 3.34Å; E520-K524 VanDerWaalsContact O-N 3.11Å; E520-K524 VanDerWaalsContact OE1-CE 3.27Å; E520-K524 WeakPolarHBondContact OE1-CE 3.46Å; E520-K524 IonicContact OE1-NZ 3.42Å; E520-K524 PolarHBondContact OE1-NZ 3.2Å
521H88.6Confident89.8Confident41 Ų4144.1 Ų44.119%0.1925%0.251CS..Hα-helixtrans-67.5-42.4177.7-163153.7000110.2A516 S517 G518 L519 F523 K524 V525A516-H521 HydrophobicContact CB-CB 4.12Å; S517-H521 PolarHBondContact OG-ND1 2.96Å; G518-H521 WeakPolarHBondContact O-CB 3.46Å; G518-H521 PolarHBondContact O-N 3.38Å; L519-H521 VanDerWaalsContact C-N 3.32Å; L519-H521 PolarHBondContact O-N 3.23Å; H521-F523 VanDerWaalsContact C-N 3.31Å; H521-F523 PolarHBondContact O-N 3.15Å; H521-K524 WeakPolarHBondContact O-CA 3.42Å; H521-K524 WeakPolarHBondContact O-CB 3.31Å; H521-K524 PolarHBondContact O-N 3.48Å; H521-V525 PolarHBondContact O-N 3.27Å
522T91.4Very high89.7Confident1 Ų141.2 Ų41.21%0.00624%0.237CC..Hα-helixtrans-57.7-42.4176.4-50.20000112.4F513 A516 G518 L519 V525 L526 L549F513-T522 HydrophobicContact CD1-CG2 4.23Å; F513-T522 HydrophobicContact CD2-CG2 3.56Å; F513-T522 HydrophobicContact CE1-CG2 3.76Å; F513-T522 HydrophobicContact CE2-CG2 3.06Å; F513-T522 HydrophobicContact CG-CG2 4.12Å; F513-T522 HydrophobicContact CZ-CG2 3.17Å; A516-T522 WeakPolarHBondContact CB-OG1 3.43Å; G518-T522 PolarHBondContact O-N 2.97Å; G518-T522 PolarHBondContact O-OG1 3.47Å; G518-T522 VanDerWaalsContact O-OG1 3.1Å; L519-T522 PolarHBondContact O-N 2.71Å; T522-V525 PolarHBondContact O-N 3.35Å; T522-L526 PolarHBondContact O-N 3.41Å; T522-L526 VanDerWaalsContact O-N 3.15Å; T522-L549 HydrophobicContact CG2-CD1 3.63Å
523F90.6Very high89.5Confident6 Ų642.3 Ų42.33%0.02624%0.244CC..Hα-helixtrans-64.7-37.7173-78.6-62.2000113L519 E520 H521 V525 L526 E527 L549 P603 K606 L607 L610L519-F523 HydrophobicContact CD1-CD2 4.14Å; L519-F523 HydrophobicContact CD1-CE2 3.5Å; L519-F523 VanDerWaalsContact CD1-CE2 3.5Å; L519-F523 HydrophobicContact CD1-CZ 4.19Å; L519-F523 HydrophobicContact CD2-CE2 4.14Å; L519-F523 HydrophobicContact CG-CD2 3.98Å; L519-F523 HydrophobicContact CG-CE2 3.6Å; L519-F523 VanDerWaalsContact O-CD2 3.23Å; L519-F523 WeakPolarHBondContact O-CD2 3.36Å; L519-F523 PolarHBondContact O-N 3.01Å; L519-F523 VanDerWaalsContact O-N 3.08Å; E520-F523 PolarHBondContact O-N 3.31Å; H521-F523 VanDerWaalsContact C-N 3.31Å; H521-F523 PolarHBondContact O-N 3.15Å; F523-V525 VanDerWaalsContact C-N 3.31Å; F523-V525 PolarHBondContact O-N 2.94Å; F523-L526 HydrophobicContact CD1-CD1 4.31Å; F523-L526 PolarHBondContact O-N 2.84Å; F523-E527 WeakPolarHBondContact O-CB 3.22Å; F523-E527 WeakPolarHBondContact O-CG 3.34Å; F523-E527 PolarHBondContact O-N 3.17Å; F523-L549 HydrophobicContact CE1-CD1 4.16Å; F523-L549 HydrophobicContact CE1-CD2 3.91Å; F523-L549 HydrophobicContact CE1-CG 4.46Å; F523-L549 HydrophobicContact CE2-CD1 4.25Å; F523-L549 HydrophobicContact CZ-CD1 3.88Å; F523-L549 HydrophobicContact CZ-CD2 4.13Å; F523-L549 HydrophobicContact CZ-CG 4.22Å; F523-P603 HydrophobicContact CE2-CB 3.98Å; F523-K606 HydrophobicContact CB-CD 3.93Å; F523-K606 HydrophobicContact CD1-CB 3.8Å; F523-K606 HydrophobicContact CD1-CD 4.05Å; F523-K606 HydrophobicContact CD2-CD 4.29Å; F523-K606 HydrophobicContact CE1-CB 3.77Å; F523-K606 HydrophobicContact CG-CB 4.29Å; F523-K606 HydrophobicContact CG-CD 3.82Å; F523-K606 HydrophobicContact CZ-CB 4.23Å; F523-L607 HydrophobicContact CE1-CD2 4.25Å; F523-L607 HydrophobicContact CE1-CG 4.32Å; F523-L607 HydrophobicContact CZ-CD1 4.49Å; F523-L607 HydrophobicContact CZ-CD2 3.83Å; F523-L607 HydrophobicContact CZ-CG 3.69Å; F523-L610 HydrophobicContact CD1-CD1 4.39Å; F523-L610 HydrophobicContact CE1-CD1 3.85Å
524K89.6Confident89.4Confident94 Ų9449.8 Ų49.841%0.40928%0.279SS..Hα-helixtrans-61.8-40.1174.1-71.1174.2-174.9168.70111.4E520 H521 E527 M528E520-K524 WeakPolarHBondContact O-CG 3.4Å; E520-K524 PolarHBondContact O-N 3.34Å; E520-K524 VanDerWaalsContact O-N 3.11Å; E520-K524 VanDerWaalsContact OE1-CE 3.27Å; E520-K524 WeakPolarHBondContact OE1-CE 3.46Å; E520-K524 IonicContact OE1-NZ 3.42Å; E520-K524 PolarHBondContact OE1-NZ 3.2Å; H521-K524 WeakPolarHBondContact O-CA 3.42Å; H521-K524 WeakPolarHBondContact O-CB 3.31Å; H521-K524 PolarHBondContact O-N 3.48Å; K524-E527 PolarHBondContact O-N 3.13Å; K524-M528 WeakPolarHBondContact O-CB 3.29Å; K524-M528 WeakPolarHBondContact O-CG 3.43Å; K524-M528 PolarHBondContact O-N 3.36Å
525V91Very high89.5Confident1 Ų146.7 Ų46.71%0.00626%0.261CS..Hα-helixtrans-60.4-46.5175.3176.50000111.3F509 A512 H521 T522 F523 E527 M528 F529F509-V525 HydrophobicContact CD2-CG1 4.17Å; F509-V525 HydrophobicContact CE2-CG1 4Å; A512-V525 HydrophobicContact CB-CG1 3.91Å; A512-V525 HydrophobicContact CB-CG2 4.49Å; H521-V525 PolarHBondContact O-N 3.27Å; T522-V525 PolarHBondContact O-N 3.35Å; F523-V525 VanDerWaalsContact C-N 3.31Å; F523-V525 PolarHBondContact O-N 2.94Å; V525-E527 PolarHBondContact O-N 3.45Å; V525-M528 HydrophobicContact CB-CE 4.3Å; V525-M528 HydrophobicContact CG2-CE 3.95Å; V525-M528 PolarHBondContact O-N 3.31Å; V525-F529 HydrophobicContact CG1-CD2 4.31Å; V525-F529 HydrophobicContact CG1-CE2 4.36Å; V525-F529 WeakPolarHBondContact O-CD2 3.45Å; V525-F529 PolarHBondContact O-N 3.31Å
526L90.6Very high89.6Confident12 Ų1248.2 Ų48.26%0.06327%0.274CS..Hα-helixtrans-59.8-45175-75.5163.9000112.2F509 F513 T522 F523 M528 F529 G530 V542 L549 L610F509-L526 HydrophobicContact CE2-CD2 3.87Å; F509-L526 HydrophobicContact CE2-CG 4.43Å; F509-L526 HydrophobicContact CZ-CD2 3.57Å; F509-L526 HydrophobicContact CZ-CG 4.28Å; F513-L526 HydrophobicContact CE2-CD1 4.41Å; T522-L526 PolarHBondContact O-N 3.41Å; T522-L526 VanDerWaalsContact O-N 3.15Å; F523-L526 HydrophobicContact CD1-CD1 4.31Å; F523-L526 PolarHBondContact O-N 2.84Å; L526-M528 PolarHBondContact O-N 3.39Å; L526-F529 PolarHBondContact O-N 3.24Å; L526-G530 PolarHBondContact O-N 2.9Å; L526-V542 HydrophobicContact CD2-CG1 3.99Å; L526-L549 HydrophobicContact CD1-CD2 3.92Å; L526-L610 HydrophobicContact CD1-CD1 3.92Å
527E89.1Confident89.8Confident108 Ų10849.6 Ų49.651%0.50528%0.278SS..Hα-helixtrans-65-36.9178.6-74169.317900112.7F523 K524 V525 G530 K606F523-E527 WeakPolarHBondContact O-CB 3.22Å; F523-E527 WeakPolarHBondContact O-CG 3.34Å; F523-E527 PolarHBondContact O-N 3.17Å; K524-E527 PolarHBondContact O-N 3.13Å; V525-E527 PolarHBondContact O-N 3.45Å; E527-G530 PolarHBondContact O-N 3.27Å; E527-K606 VanDerWaalsContact CD-NZ 3.34Å; E527-K606 WeakPolarHBondContact OE1-CD 3.42Å; E527-K606 WeakPolarHBondContact OE1-CE 3.45Å; E527-K606 IonicContact OE1-NZ 3.22Å; E527-K606 PolarHBondContact OE1-NZ 3.49Å; E527-K606 IonicContact OE2-NZ 2.72Å; E527-K606 PolarHBondContact OE2-NZ 2.9Å
528M89.9Confident90.2Very high70 Ų7044.3 Ų44.335%0.34524%0.242SC..Hα-helixtrans-66.5-41.3178.1-74.8-176.5-5500112.5K524 V525 L526K524-M528 WeakPolarHBondContact O-CB 3.29Å; K524-M528 WeakPolarHBondContact O-CG 3.43Å; K524-M528 PolarHBondContact O-N 3.36Å; V525-M528 HydrophobicContact CB-CE 4.3Å; V525-M528 HydrophobicContact CG2-CE 3.95Å; V525-M528 PolarHBondContact O-N 3.31Å; L526-M528 PolarHBondContact O-N 3.39Å
529F90Very high90.5Very high4 Ų444.2 Ų44.22%0.01824%0.238CC..Hα-helixtrans-73.6-31.5174.7-82.3-104.6000111.6L444 I446 I508 F509 V525 L526 G531 L532 T533L444-F529 HydrophobicContact CD1-CD1 4.34Å; L444-F529 HydrophobicContact CD1-CD2 4.4Å; L444-F529 HydrophobicContact CD1-CG 4.25Å; L444-F529 HydrophobicContact CD2-CE2 4.28Å; L444-F529 HydrophobicContact CD2-CZ 4.32Å; I446-F529 HydrophobicContact CD1-CE2 4.03Å; I446-F529 HydrophobicContact CD1-CZ 4.19Å; I508-F529 HydrophobicContact CG2-CZ 4.32Å; F509-F529 HydrophobicContact CB-CD1 4.28Å; F509-F529 HydrophobicContact CB-CE1 3.83Å; F509-F529 HydrophobicContact CB-CE2 4.37Å; F509-F529 HydrophobicContact CB-CZ 3.88Å; F509-F529 HydrophobicContact CD2-CB 4.29Å; F509-F529 HydrophobicContact CD2-CD1 4.07Å; F509-F529 AromaticContact CD2-CD2 3.75Å; F509-F529 HydrophobicContact CD2-CD2 3.75Å; F509-F529 HydrophobicContact CD2-CE1 4.32Å; F509-F529 HydrophobicContact CD2-CE2 4.02Å; F509-F529 AromaticContact CD2-CG 3.77Å; F509-F529 HydrophobicContact CD2-CG 3.77Å; F509-F529 HydrophobicContact CD2-CZ 4.3Å; F509-F529 HydrophobicContact CE2-CD2 4.44Å; F509-F529 HydrophobicContact CE2-CG 4.49Å; V525-F529 HydrophobicContact CG1-CD2 4.31Å; V525-F529 HydrophobicContact CG1-CE2 4.36Å; V525-F529 WeakPolarHBondContact O-CD2 3.45Å; V525-F529 PolarHBondContact O-N 3.31Å; L526-F529 PolarHBondContact O-N 3.24Å; F529-G531 PolarHBondContact O-N 2.81Å; F529-L532 HydrophobicContact CD1-CB 4.46Å; F529-L532 HydrophobicContact CD1-CD1 4.48Å; F529-L532 WeakPolarHBondContact O-CB 3.5Å; F529-L532 WeakPolarHBondContact O-CG 3.13Å; F529-L532 PolarHBondContact O-N 3.42Å; F529-T533 HydrophobicContact CB-CG2 3.61Å
530G88.8Confident90.6Very high31 Ų3148.6 Ų48.632%0.3227%0.265SS..G310 helixtrans50.8-126.9171.900000112.3L526 E527 L532 T533L526-G530 PolarHBondContact O-N 2.9Å; E527-G530 PolarHBondContact O-N 3.27Å; G530-L532 PolarHBondContact O-N 3.23Å; G530-L532 VanDerWaalsContact O-N 3.14Å; G530-T533 WeakPolarHBondContact O-CB 3.47Å; G530-T533 PolarHBondContact O-N 3.19Å; G530-T533 PolarHBondContact O-OG1 3.4Å
531G87.8Confident90.8Very high29 Ų2945.1 Ų45.130%0.29925%0.251SS..G310 helixtrans-63.5-15179.400000115.2F529 T533 E534F529-G531 PolarHBondContact O-N 2.81Å; G531-T533 PolarHBondContact O-N 3.15Å; G531-E534 WeakPolarHBondContact O-CB 3.37Å; G531-E534 PolarHBondContact O-N 3.09Å; G531-E534 VanDerWaalsContact O-N 3.13Å
532L91Very high91Very high2 Ų243.2 Ų43.21%0.0124%0.242CC..G310 helixtrans-64.5-25.7172.1-62.6170.4000111.5D437 L441 L444 F529 G530 E534 R535 I538D437-L532 HydrophobicContact CB-CD2 4.49Å; D437-L532 WeakPolarHBondContact O-CD2 3.37Å; L441-L532 HydrophobicContact CD2-CD1 3.63Å; L444-L532 HydrophobicContact CD1-CD1 3.71Å; F529-L532 HydrophobicContact CD1-CB 4.46Å; F529-L532 HydrophobicContact CD1-CD1 4.48Å; F529-L532 WeakPolarHBondContact O-CB 3.5Å; F529-L532 WeakPolarHBondContact O-CG 3.13Å; F529-L532 PolarHBondContact O-N 3.42Å; G530-L532 PolarHBondContact O-N 3.23Å; G530-L532 VanDerWaalsContact O-N 3.14Å; L532-E534 PolarHBondContact O-N 3.14Å; L532-R535 WeakPolarHBondContact O-CB 3.43Å; L532-R535 PolarHBondContact O-N 2.99Å; L532-I538 HydrophobicContact CB-CD1 4.46Å; L532-I538 WeakPolarHBondContact O-CD1 3.43Å
533T90Very high91Very high26 Ų2647 Ų4716%0.1627%0.265CS..G310 helixtrans-69.7-17.1176.365.30000113.4F509 F529 G530 G531 R535 A539 V542F509-T533 HydrophobicContact CE2-CG2 4.41Å; F529-T533 HydrophobicContact CB-CG2 3.61Å; G530-T533 WeakPolarHBondContact O-CB 3.47Å; G530-T533 PolarHBondContact O-N 3.19Å; G530-T533 PolarHBondContact O-OG1 3.4Å; G531-T533 PolarHBondContact O-N 3.15Å; T533-R535 VanDerWaalsContact C-N 3.34Å; T533-A539 WeakPolarHBondContact O-CA 3.35Å; T533-A539 VanDerWaalsContact O-CB 3.3Å; T533-A539 WeakPolarHBondContact O-CB 3.36Å; T533-V542 HydrophobicContact CG2-CG2 4.04Å
534E89.7Confident90.9Very high161 Ų16149.3 Ų49.375%0.75229%0.291SS*.G310 helixtrans-83.1-13.8176.6-58.8-178.3173.700112.1G531 L532G531-E534 WeakPolarHBondContact O-CB 3.37Å; G531-E534 PolarHBondContact O-N 3.09Å; G531-E534 VanDerWaalsContact O-N 3.13Å; L532-E534 PolarHBondContact O-N 3.14Å
535R92.8Very high91Very high23 Ų2346.6 Ų46.69%0.08728%0.279CS..SBendtrans-65.1130.7178.2-64-177.664.176.24.5109.4D437 D502 L532 T533 L537 I538 A539D437-R535 IonicContact OD2-NH1 2.64Å; D437-R535 PolarHBondContact OD2-NH1 3.34Å; D437-R535 VanDerWaalsContact OD2-NH1 3.1Å; D502-R535 IonicContact OD1-CZ 2.81Å; D502-R535 IonicContact OD1-NE 3.53Å; D502-R535 PolarHBondContact OD1-NE 3.33Å; D502-R535 IonicContact OD1-NH2 3.44Å; D502-R535 PolarHBondContact OD1-NH2 2.94Å; D502-R535 IonicContact OD2-CZ 3.63Å; D502-R535 IonicContact OD2-NE 2.96Å; D502-R535 PolarHBondContact OD2-NE 3.46Å; D502-R535 VanDerWaalsContact OD2-NE 3.15Å; D502-R535 IonicContact OD2-NH2 3.64Å; D502-R535 PolarHBondContact OD2-NH2 3.35Å; L532-R535 WeakPolarHBondContact O-CB 3.43Å; L532-R535 PolarHBondContact O-N 2.99Å; T533-R535 VanDerWaalsContact C-N 3.34Å; R535-L537 VanDerWaalsContact C-N 3.34Å; R535-L537 PolarHBondContact O-N 3.2Å; R535-L537 VanDerWaalsContact O-N 3.13Å; R535-I538 HydrophobicContact CB-CB 4.44Å; R535-I538 HydrophobicContact CB-CD1 4.18Å; R535-I538 HydrophobicContact CB-CG1 4.41Å; R535-I538 PolarHBondContact O-N 3.33Å; R535-A539 WeakPolarHBondContact O-CB 3.23Å; R535-A539 PolarHBondContact O-N 3.44Å
536P92.3Very high91Very high101 Ų10148.7 Ų48.766%0.65629%0.287SS*.Hα-helixtrans-54.1-43.2-165.4-29.734.6000115.2V540P536-V540 WeakPolarHBondContact O-CG2 3.15Å; P536-V540 PolarHBondContact O-N 3.07Å
537L93.3Very high91.1Very high49 Ų4952.4 Ų52.426%0.25731%0.311SS..Hα-helixtrans-72.7-33.7-178-65.1175.5000112.5D499 D502 R503 R535D499-L537 HydrophobicContact CB-CD1 3.73Å; D502-L537 HydrophobicContact CB-CB 4Å; D502-L537 HydrophobicContact CB-CD1 4.13Å; R503-L537 HydrophobicContact CG-CD1 4.36Å; R535-L537 VanDerWaalsContact C-N 3.34Å; R535-L537 PolarHBondContact O-N 3.2Å; R535-L537 VanDerWaalsContact O-N 3.13Å
538I94.1Very high91.2Very high0 Ų050.6 Ų50.60%031%0.305CS..Hα-helixtrans-75.2-40.4176.2-59.8175.3000110D502 L505 L532 R535 V540 D541 V542D502-I538 HydrophobicContact CB-CD1 4.46Å; D502-I538 HydrophobicContact CB-CG1 4.19Å; D502-I538 WeakPolarHBondContact O-CG1 3.45Å; L505-I538 HydrophobicContact CB-CD1 3.84Å; L505-I538 HydrophobicContact CB-CG1 4.34Å; L505-I538 HydrophobicContact CD1-CD1 4.14Å; L532-I538 HydrophobicContact CB-CD1 4.46Å; L532-I538 WeakPolarHBondContact O-CD1 3.43Å; R535-I538 HydrophobicContact CB-CB 4.44Å; R535-I538 HydrophobicContact CB-CD1 4.18Å; R535-I538 HydrophobicContact CB-CG1 4.41Å; R535-I538 PolarHBondContact O-N 3.33Å; I538-V540 PolarHBondContact O-N 3.44Å; I538-D541 PolarHBondContact O-N 3.01Å; I538-V542 HydrophobicContact CG2-CG2 3.88Å; I538-V542 VanDerWaalsContact O-CG2 3.3Å; I538-V542 WeakPolarHBondContact O-CG2 3.39Å; I538-V542 PolarHBondContact O-N 3.38Å
539A92.6Very high91.3Very high26 Ų2647.3 Ų47.322%0.21529%0.289CS..Hα-helixtrans-56.4-38-179.800000112.2T533 R535 D541 V542 V543T533-A539 WeakPolarHBondContact O-CA 3.35Å; T533-A539 VanDerWaalsContact O-CB 3.3Å; T533-A539 WeakPolarHBondContact O-CB 3.36Å; R535-A539 WeakPolarHBondContact O-CB 3.23Å; R535-A539 PolarHBondContact O-N 3.44Å; A539-D541 VanDerWaalsContact C-N 3.31Å; A539-D541 PolarHBondContact O-N 3.21Å; A539-V542 PolarHBondContact O-N 2.83Å; A539-V543 WeakPolarHBondContact O-CB 3.46Å; A539-V543 WeakPolarHBondContact O-CG2 3.38Å; A539-V543 PolarHBondContact O-N 3.05Å
540V92.6Very high91.4Very high104 Ų10451 Ų5163%0.6331%0.308SS*.Hα-helixtrans-56.8-46.1176.3173.30000111.2P536 I538 G544P536-V540 WeakPolarHBondContact O-CG2 3.15Å; P536-V540 PolarHBondContact O-N 3.07Å; I538-V540 PolarHBondContact O-N 3.44Å; V540-G544 PolarHBondContact O-N 3.37Å
541D92Very high91.6Very high58 Ų5851.6 Ų51.631%0.3131%0.308SS..Hα-helixtrans-71-41.2179-72.1-26.1000111.8G506 I538 A539 G544G506-D541 WeakPolarHBondContact CA-OD2 3.42Å; I538-D541 PolarHBondContact O-N 3.01Å; A539-D541 VanDerWaalsContact C-N 3.31Å; A539-D541 PolarHBondContact O-N 3.21Å; D541-G544 PolarHBondContact O-N 3.45Å
542V91.4Very high91.8Very high1 Ų152.3 Ų52.31%0.00631%0.305CS..Hα-helixtrans-62.4-45.6179.2175.70000111.4F509 L526 T533 I538 A539 G544 K545 Y546F509-V542 HydrophobicContact CD1-CB 4.49Å; F509-V542 HydrophobicContact CD1-CG2 3.67Å; F509-V542 HydrophobicContact CD2-CG2 4.35Å; F509-V542 HydrophobicContact CE1-CB 4Å; F509-V542 HydrophobicContact CE1-CG1 4.13Å; F509-V542 HydrophobicContact CE1-CG2 3.55Å; F509-V542 HydrophobicContact CE2-CG2 4.22Å; F509-V542 HydrophobicContact CG-CG2 4.1Å; F509-V542 HydrophobicContact CZ-CB 4.33Å; F509-V542 HydrophobicContact CZ-CG1 4.01Å; F509-V542 HydrophobicContact CZ-CG2 3.84Å; L526-V542 HydrophobicContact CD2-CG1 3.99Å; T533-V542 HydrophobicContact CG2-CG2 4.04Å; I538-V542 HydrophobicContact CG2-CG2 3.88Å; I538-V542 VanDerWaalsContact O-CG2 3.3Å; I538-V542 WeakPolarHBondContact O-CG2 3.39Å; I538-V542 PolarHBondContact O-N 3.38Å; A539-V542 PolarHBondContact O-N 2.83Å; V542-G544 PolarHBondContact O-N 2.95Å; V542-K545 WeakPolarHBondContact O-CB 3.32Å; V542-K545 PolarHBondContact O-N 2.91Å; V542-Y546 HydrophobicContact CG1-CE1 3.84Å
543V90.8Very high92Very high81 Ų8153.2 Ų53.249%0.49131%0.308SS..Hα-helixtrans-60.1-36.4178.6169.30000111A539 K545 Y546A539-V543 WeakPolarHBondContact O-CB 3.46Å; A539-V543 WeakPolarHBondContact O-CG2 3.38Å; A539-V543 PolarHBondContact O-N 3.05Å; V543-K545 PolarHBondContact O-N 3.43Å; V543-K545 VanDerWaalsContact O-N 3.17Å; V543-Y546 HydrophobicContact CB-CD2 4.36Å; V543-Y546 HydrophobicContact CB-CE2 4.36Å; V543-Y546 HydrophobicContact CG1-CD2 4.38Å; V543-Y546 HydrophobicContact CG2-CD2 4.32Å; V543-Y546 HydrophobicContact CG2-CE2 3.86Å; V543-Y546 WeakPolarHBondContact O-CB 3.45Å; V543-Y546 PolarHBondContact O-N 3.4Å
544G89.8Confident92.1Very high55 Ų5556.5 Ų56.557%0.56733%0.325SS*.Hα-helixtrans-60-22.9174.200000114.1V540 D541 V542V540-G544 PolarHBondContact O-N 3.37Å; D541-G544 PolarHBondContact O-N 3.45Å; V542-G544 PolarHBondContact O-N 2.95Å
545K91.8Very high92.3Very high36 Ų3655 Ų5516%0.15732%0.316CS..Hα-helixtrans-90.6-12.8179.8-60.4-59.6-172.3171.70114.1F509 C510 F513 D514 V542 V543 L548 L549F509-K545 HydrophobicContact CE1-CG 4.16Å; C510-K545 WeakPolarHBondContact SG-CE 3.46Å; F513-K545 HydrophobicContact CD1-CB 4.03Å; F513-K545 HydrophobicContact CD1-CD 4.03Å; F513-K545 HydrophobicContact CD1-CG 4.13Å; F513-K545 HydrophobicContact CD2-CB 4.08Å; F513-K545 HydrophobicContact CD2-CG 4.45Å; F513-K545 HydrophobicContact CE1-CB 3.88Å; F513-K545 HydrophobicContact CE1-CD 4.42Å; F513-K545 HydrophobicContact CE1-CG 4.45Å; F513-K545 HydrophobicContact CE2-CB 3.87Å; F513-K545 HydrophobicContact CG-CB 4.15Å; F513-K545 HydrophobicContact CG-CD 4.46Å; F513-K545 HydrophobicContact CG-CG 4.15Å; F513-K545 HydrophobicContact CZ-CB 3.78Å; D514-K545 IonicContact OD1-NZ 3.33Å; D514-K545 PolarHBondContact OD1-NZ 3.31Å; D514-K545 IonicContact OD2-NZ 2.93Å; D514-K545 PolarHBondContact OD2-NZ 3.47Å; V542-K545 WeakPolarHBondContact O-CB 3.32Å; V542-K545 PolarHBondContact O-N 2.91Å; V543-K545 PolarHBondContact O-N 3.43Å; V543-K545 VanDerWaalsContact O-N 3.17Å; K545-L548 WeakPolarHBondContact O-CB 3.45Å; K545-L548 PolarHBondContact O-N 2.92Å; K545-L548 VanDerWaalsContact O-N 3.15Å; K545-L549 PolarHBondContact O-N 3.15Å
546Y91.3Very high92.3Very high46 Ų4656 Ų5618%0.1832%0.321CS..Hα-helixtrans-58.7-41.1179.3-70.8-17.1000115.1V542 V543 L548 L549 L550 F611V542-Y546 HydrophobicContact CG1-CE1 3.84Å; V543-Y546 HydrophobicContact CB-CD2 4.36Å; V543-Y546 HydrophobicContact CB-CE2 4.36Å; V543-Y546 HydrophobicContact CG1-CD2 4.38Å; V543-Y546 HydrophobicContact CG2-CD2 4.32Å; V543-Y546 HydrophobicContact CG2-CE2 3.86Å; V543-Y546 WeakPolarHBondContact O-CB 3.45Å; V543-Y546 PolarHBondContact O-N 3.4Å; Y546-L548 VanDerWaalsContact C-N 3.27Å; Y546-L548 PolarHBondContact O-N 3.1Å; Y546-L549 WeakPolarHBondContact O-CB 3.21Å; Y546-L549 PolarHBondContact O-N 3.11Å; Y546-L550 WeakPolarHBondContact O-CG 3.37Å; Y546-L550 PolarHBondContact O-N 3.22Å; Y546-F611 HydrophobicContact CD1-CZ 4.12Å; Y546-F611 AromaticContact CD2-CE1 3.59Å; Y546-F611 HydrophobicContact CD2-CE1 3.59Å; Y546-F611 AromaticContact CD2-CZ 3.8Å; Y546-F611 HydrophobicContact CD2-CZ 3.8Å; Y546-F611 HydrophobicContact CE2-CE1 4.09Å; Y546-F611 HydrophobicContact CE2-CZ 4.39Å; Y546-F611 AromaticContact CG-CE1 3.94Å; Y546-F611 HydrophobicContact CG-CE1 3.94Å; Y546-F611 AromaticContact CG-CZ 3.64Å; Y546-F611 HydrophobicContact CG-CZ 3.64Å
547P92.1Very high92.4Very high89 Ų8954 Ų5458%0.57831%0.305SS*.Hα-helixtrans-60.2-37.9174.8-24.835.5000112.8L550 S551P547-L550 PolarHBondContact O-N 3.24Å; P547-S551 PolarHBondContact O-N 3.1Å
548L91.4Very high92.5Very high71 Ų7155.4 Ų55.437%0.37231%0.313SS..Hα-helixtrans-66.8-43176.2-179.258.4000110.8F513 K545 Y546 L550 S551 L552F513-L548 HydrophobicContact CD1-CD2 4.2Å; F513-L548 HydrophobicContact CE1-CB 4.24Å; F513-L548 HydrophobicContact CE1-CD2 3.77Å; F513-L548 HydrophobicContact CE1-CG 4.01Å; K545-L548 WeakPolarHBondContact O-CB 3.45Å; K545-L548 PolarHBondContact O-N 2.92Å; K545-L548 VanDerWaalsContact O-N 3.15Å; Y546-L548 VanDerWaalsContact C-N 3.27Å; Y546-L548 PolarHBondContact O-N 3.1Å; L548-L550 VanDerWaalsContact C-N 3.33Å; L548-L550 PolarHBondContact O-N 3.44Å; L548-S551 PolarHBondContact O-N 3.04Å; L548-S551 PolarHBondContact O-OG 3.28Å; L548-L552 WeakPolarHBondContact O-CG 3.44Å; L548-L552 PolarHBondContact O-N 2.94Å
549L92.4Very high92.4Very high0 Ų057.9 Ų57.90%033%0.33CS..Hα-helixtrans-56.1-46.7174.2-174.163.7000112F513 L519 T522 F523 L526 K545 Y546 S551 L552 F553 L607 L610F513-L549 HydrophobicContact CZ-CB 4.02Å; F513-L549 HydrophobicContact CZ-CD1 4.42Å; L519-L549 HydrophobicContact CD1-CD1 3.76Å; T522-L549 HydrophobicContact CG2-CD1 3.63Å; F523-L549 HydrophobicContact CE1-CD1 4.16Å; F523-L549 HydrophobicContact CE1-CD2 3.91Å; F523-L549 HydrophobicContact CE1-CG 4.46Å; F523-L549 HydrophobicContact CE2-CD1 4.25Å; F523-L549 HydrophobicContact CZ-CD1 3.88Å; F523-L549 HydrophobicContact CZ-CD2 4.13Å; F523-L549 HydrophobicContact CZ-CG 4.22Å; L526-L549 HydrophobicContact CD1-CD2 3.92Å; K545-L549 PolarHBondContact O-N 3.15Å; Y546-L549 WeakPolarHBondContact O-CB 3.21Å; Y546-L549 PolarHBondContact O-N 3.11Å; L549-S551 VanDerWaalsContact C-N 3.33Å; L549-S551 PolarHBondContact O-N 3.04Å; L549-L552 PolarHBondContact O-N 3.47Å; L549-F553 PolarHBondContact O-N 2.96Å; L549-L607 HydrophobicContact CD2-CD2 3.75Å; L549-L607 HydrophobicContact CG-CD2 4.02Å; L549-L610 HydrophobicContact CD2-CD1 3.9Å
550L92.1Very high92.5Very high82 Ų8256.8 Ų56.843%0.42932%0.321SS..Hα-helixtrans-61.8-41.6177.8-69173.7000111.4Y546 P547 L548 L552 F553 D554 L607 F611Y546-L550 WeakPolarHBondContact O-CG 3.37Å; Y546-L550 PolarHBondContact O-N 3.22Å; P547-L550 PolarHBondContact O-N 3.24Å; L548-L550 VanDerWaalsContact C-N 3.33Å; L548-L550 PolarHBondContact O-N 3.44Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 3.08Å; L550-F553 PolarHBondContact O-N 3.31Å; L550-D554 PolarHBondContact O-N 2.66Å; L550-L607 HydrophobicContact CD2-CD2 4.14Å; L550-F611 HydrophobicContact CD2-CE2 4.29Å
551S93.1Very high92.5Very high44 Ų4458 Ų5831%0.30832%0.317SS..Hα-helixtrans-65.2-34.1176.581.10000113.2P547 L548 L549 K555P547-S551 PolarHBondContact O-N 3.1Å; L548-S551 PolarHBondContact O-N 3.04Å; L548-S551 PolarHBondContact O-OG 3.28Å; L549-S551 VanDerWaalsContact C-N 3.33Å; L549-S551 PolarHBondContact O-N 3.04Å; S551-K555 WeakPolarHBondContact O-CG 3.47Å; S551-K555 PolarHBondContact O-N 3.29Å; S551-K555 VanDerWaalsContact O-N 3.11Å
552L91.8Very high92.7Very high44 Ų4460.7 Ų60.723%0.2333%0.328CS..Hα-helixtrans-68.9-38.9174.8-70.6172.9000111L519 L548 L549 L550 E556L519-L552 HydrophobicContact CD1-CB 3.94Å; L548-L552 WeakPolarHBondContact O-CG 3.44Å; L548-L552 PolarHBondContact O-N 2.94Å; L549-L552 PolarHBondContact O-N 3.47Å; L550-L552 VanDerWaalsContact C-N 3.33Å; L550-L552 PolarHBondContact O-N 3.08Å; L552-E556 PolarHBondContact O-N 3.13Å
553F93.7Very high92.7Very high20 Ų2063.9 Ų63.99%0.08835%0.345CS..Hα-helixtrans-66.7-41174.8-177.1-122.8000112.3L519 L549 L550 K555 E556 L557 P603 F604 L607L519-F553 HydrophobicContact CD1-CB 4.22Å; L519-F553 HydrophobicContact CD2-CB 4.15Å; L519-F553 HydrophobicContact CD2-CD2 3.67Å; L519-F553 HydrophobicContact CD2-CG 4.39Å; L549-F553 PolarHBondContact O-N 2.96Å; L550-F553 PolarHBondContact O-N 3.31Å; F553-K555 PolarHBondContact O-N 2.92Å; F553-E556 WeakPolarHBondContact O-CB 3.01Å; F553-E556 PolarHBondContact O-N 3.01Å; F553-E556 VanDerWaalsContact O-N 3.1Å; F553-L557 HydrophobicContact CD1-CD1 4.15Å; F553-L557 HydrophobicContact CD1-CG 4.5Å; F553-L557 HydrophobicContact CE1-CD1 3.79Å; F553-L557 HydrophobicContact CE1-CD2 4.41Å; F553-L557 HydrophobicContact CE1-CG 4.2Å; F553-L557 HydrophobicContact CE2-CD2 4.11Å; F553-L557 HydrophobicContact CE2-CG 4.25Å; F553-L557 HydrophobicContact CZ-CD1 4.11Å; F553-L557 HydrophobicContact CZ-CD2 3.88Å; F553-L557 HydrophobicContact CZ-CG 4.07Å; F553-L557 WeakPolarHBondContact O-CG 3.47Å; F553-L557 PolarHBondContact O-N 3.11Å; F553-P603 HydrophobicContact CD2-CB 3.95Å; F553-P603 HydrophobicContact CE2-CB 3.81Å; F553-F604 HydrophobicContact CE1-CD2 4.02Å; F553-F604 HydrophobicContact CZ-CB 3.88Å; F553-F604 AromaticContact CZ-CD2 3.98Å; F553-F604 HydrophobicContact CZ-CD2 3.98Å; F553-F604 HydrophobicContact CZ-CG 4.44Å; F553-L607 HydrophobicContact CB-CD1 3.84Å; F553-L607 HydrophobicContact CD1-CD1 3.2Å; F553-L607 HydrophobicContact CD2-CD1 4.01Å; F553-L607 HydrophobicContact CE1-CD1 3.64Å; F553-L607 HydrophobicContact CE2-CD1 4.37Å; F553-L607 HydrophobicContact CG-CD1 3.4Å; F553-L607 HydrophobicContact CZ-CD1 4.2Å
554D94Very high92.8Very high95 Ų9565.1 Ų65.151%0.50834%0.342SS..Hα-helixtrans-58.4-46.6174.9-171.856.2000111.9L550 E556 L557 D558L550-D554 PolarHBondContact O-N 2.66Å; D554-E556 VanDerWaalsContact C-N 3.28Å; D554-E556 PolarHBondContact O-N 3.34Å; D554-L557 WeakPolarHBondContact O-CB 3.47Å; D554-L557 PolarHBondContact O-N 3.45Å; D554-L557 VanDerWaalsContact O-N 3.15Å; D554-D558 PolarHBondContact O-N 2.86Å
555K93.1Very high93Very high130 Ų13066.7 Ų66.757%0.56534%0.337SS*.Hα-helixtrans-60.1-35.6173.4-72.3174.1-177.4174.90113.2S551 F553 S559S551-K555 WeakPolarHBondContact O-CG 3.47Å; S551-K555 PolarHBondContact O-N 3.29Å; S551-K555 VanDerWaalsContact O-N 3.11Å; F553-K555 PolarHBondContact O-N 2.92Å; K555-S559 WeakPolarHBondContact O-CB 3.43Å; K555-S559 PolarHBondContact O-N 2.86Å; K555-S559 PolarHBondContact O-OG 3.43Å
556E92.8Very high92.9Very high43 Ų4371.8 Ų71.820%0.20136%0.359CS..Hα-helixtrans-69.2-39.2176.7-172.458.8-149.500111.4L519 L552 F553 D554 S559 C560 R599L519-E556 HydrophobicContact CD2-CB 4.03Å; L519-E556 HydrophobicContact CD2-CG 4.13Å; L552-E556 PolarHBondContact O-N 3.13Å; F553-E556 WeakPolarHBondContact O-CB 3.01Å; F553-E556 PolarHBondContact O-N 3.01Å; F553-E556 VanDerWaalsContact O-N 3.1Å; D554-E556 VanDerWaalsContact C-N 3.28Å; D554-E556 PolarHBondContact O-N 3.34Å; E556-S559 WeakPolarHBondContact O-CB 3.45Å; E556-S559 PolarHBondContact O-N 3.24Å; E556-C560 PolarHBondContact O-N 3.29Å; E556-C560 PolarHBondContact O-SG 2.88Å; E556-R599 IonicContact OE1-CZ 2.72Å; E556-R599 IonicContact OE1-NE 2.84Å; E556-R599 PolarHBondContact OE1-NE 2.92Å; E556-R599 IonicContact OE1-NH2 3.92Å; E556-R599 PolarHBondContact OE1-NH2 3.03Å; E556-R599 IonicContact OE2-NH2 2.65Å
557L93.9Very high92.7Very high61 Ų6170.8 Ų70.832%0.31936%0.356SS..Hα-helixtrans-63.1-44.1173.1-68.3177.5000111.6F553 D554 S559 C560 K561 I600F553-L557 HydrophobicContact CD1-CD1 4.15Å; F553-L557 HydrophobicContact CD1-CG 4.5Å; F553-L557 HydrophobicContact CE1-CD1 3.79Å; F553-L557 HydrophobicContact CE1-CD2 4.41Å; F553-L557 HydrophobicContact CE1-CG 4.2Å; F553-L557 HydrophobicContact CE2-CD2 4.11Å; F553-L557 HydrophobicContact CE2-CG 4.25Å; F553-L557 HydrophobicContact CZ-CD1 4.11Å; F553-L557 HydrophobicContact CZ-CD2 3.88Å; F553-L557 HydrophobicContact CZ-CG 4.07Å; F553-L557 WeakPolarHBondContact O-CG 3.47Å; F553-L557 PolarHBondContact O-N 3.11Å; D554-L557 WeakPolarHBondContact O-CB 3.47Å; D554-L557 PolarHBondContact O-N 3.45Å; D554-L557 VanDerWaalsContact O-N 3.15Å; L557-S559 VanDerWaalsContact C-N 3.32Å; L557-S559 PolarHBondContact O-N 3.29Å; L557-C560 WeakPolarHBondContact O-CB 3.43Å; L557-C560 PolarHBondContact O-N 3.07Å; L557-K561 WeakPolarHBondContact O-CB 3.3Å; L557-K561 PolarHBondContact O-N 3.23Å; L557-I600 HydrophobicContact CD2-CB 4.47Å; L557-I600 HydrophobicContact CD2-CG1 4.14Å; L557-I600 HydrophobicContact CD2-CG2 3.7Å
558D95.2Very high92.6Very high77 Ų7769.5 Ų69.541%0.41234%0.343SS..Hα-helixtrans-60.9-41.8174.6-90.9-17.8000112D554 K561 Q562D554-D558 PolarHBondContact O-N 2.86Å; D558-K561 WeakPolarHBondContact O-CB 3.44Å; D558-K561 PolarHBondContact O-N 2.87Å; D558-Q562 WeakPolarHBondContact O-CG 3.47Å; D558-Q562 PolarHBondContact O-N 3.32Å
559S93Very high92.4Very high53 Ų5372.4 Ų72.437%0.37135%0.353SS..Hα-helixtrans-62-43.7175.1-61.80000111.6K555 E556 L557 K561 Q562 L563K555-S559 WeakPolarHBondContact O-CB 3.43Å; K555-S559 PolarHBondContact O-N 2.86Å; K555-S559 PolarHBondContact O-OG 3.43Å; E556-S559 WeakPolarHBondContact O-CB 3.45Å; E556-S559 PolarHBondContact O-N 3.24Å; L557-S559 VanDerWaalsContact C-N 3.32Å; L557-S559 PolarHBondContact O-N 3.29Å; S559-K561 PolarHBondContact O-N 3.19Å; S559-Q562 PolarHBondContact O-N 3.19Å; S559-L563 PolarHBondContact O-N 3.48Å
560C93.9Very high92.1Very high2 Ų273.5 Ų73.51%0.01436%0.362CS..Hα-helixtrans-62.3-41.5175-70.20000111.9E556 L557 L563 Y564 L596 I600E556-C560 PolarHBondContact O-N 3.29Å; E556-C560 PolarHBondContact O-SG 2.88Å; L557-C560 WeakPolarHBondContact O-CB 3.43Å; L557-C560 PolarHBondContact O-N 3.07Å; C560-L563 PolarHBondContact O-N 3.46Å; C560-Y564 WeakPolarHBondContact O-CB 3.41Å; C560-Y564 PolarHBondContact O-N 2.93Å; C560-L596 HydrophobicContact CB-CD1 3.71Å; C560-I600 HydrophobicContact CB-CD1 3.95Å; C560-I600 HydrophobicContact CB-CG1 4Å
561K94.1Very high91.8Very high129 Ų12972.8 Ų72.856%0.56136%0.357SS*.Hα-helixtrans-63.5-42.5176.1-176.4-178.7-179.1-179.80111.9L557 D558 S559 Y564 N565L557-K561 WeakPolarHBondContact O-CB 3.3Å; L557-K561 PolarHBondContact O-N 3.23Å; D558-K561 WeakPolarHBondContact O-CB 3.44Å; D558-K561 PolarHBondContact O-N 2.87Å; S559-K561 PolarHBondContact O-N 3.19Å; K561-Y564 WeakPolarHBondContact O-CB 3.19Å; K561-Y564 PolarHBondContact O-N 3.23Å; K561-N565 WeakPolarHBondContact O-CB 3.27Å; K561-N565 VanDerWaalsContact O-CG 3.23Å; K561-N565 PolarHBondContact O-N 3.47Å; K561-N565 PolarHBondContact O-ND2 3.33Å
562Q95.2Very high91.4Very high115 Ų11579.4 Ų79.454%0.53738%0.38SS..Hα-helixtrans-63.4-43175.3-71.5179.721.400111.7D558 S559 Y564 N565 K566D558-Q562 WeakPolarHBondContact O-CG 3.47Å; D558-Q562 PolarHBondContact O-N 3.32Å; S559-Q562 PolarHBondContact O-N 3.19Å; Q562-Y564 VanDerWaalsContact C-N 3.33Å; Q562-N565 PolarHBondContact O-N 3.44Å; Q562-K566 WeakPolarHBondContact O-CB 3.48Å; Q562-K566 WeakPolarHBondContact O-CG 3.35Å; Q562-K566 PolarHBondContact O-N 2.69Å
563L92.4Very high91.1Very high68 Ų6883.9 Ų83.936%0.35640%0.4SS..Hα-helixtrans-62-43.3176.4-171.565.6000111S559 C560 K566 Q567 W592 L596S559-L563 PolarHBondContact O-N 3.48Å; C560-L563 PolarHBondContact O-N 3.46Å; L563-K566 PolarHBondContact O-N 2.97Å; L563-Q567 WeakPolarHBondContact O-CB 3.43Å; L563-Q567 PolarHBondContact O-N 2.84Å; L563-W592 HydrophobicContact CG-CZ2 4.44Å; L563-L596 HydrophobicContact CD2-CD1 4.19Å
564Y92.6Very high90.5Very high107 Ų10788.8 Ų88.842%0.4243%0.427SS..Hα-helixtrans-57.2-53.2174.7-178.1-98000111.8C560 K561 Q562 K566 Q567 M568 W592 L596C560-Y564 WeakPolarHBondContact O-CB 3.41Å; C560-Y564 PolarHBondContact O-N 2.93Å; K561-Y564 WeakPolarHBondContact O-CB 3.19Å; K561-Y564 PolarHBondContact O-N 3.23Å; Q562-Y564 VanDerWaalsContact C-N 3.33Å; Y564-K566 VanDerWaalsContact C-N 3.32Å; Y564-K566 PolarHBondContact O-N 3.32Å; Y564-Q567 PolarHBondContact O-N 3.21Å; Y564-M568 HydrophobicContact CD1-CG 3.93Å; Y564-M568 HydrophobicContact CD2-CG 4.4Å; Y564-M568 HydrophobicContact CE1-CG 3.55Å; Y564-M568 HydrophobicContact CE1-SD 4.4Å; Y564-M568 HydrophobicContact CE2-CG 4.05Å; Y564-M568 HydrophobicContact CE2-SD 4.06Å; Y564-M568 HydrophobicContact CG-CG 4.33Å; Y564-M568 VanDerWaalsContact O-CG 3.29Å; Y564-M568 WeakPolarHBondContact O-CG 3.48Å; Y564-M568 PolarHBondContact O-N 3.07Å; Y564-W592 AromaticContact CD2-CH2 3.74Å; Y564-W592 HydrophobicContact CD2-CH2 3.74Å; Y564-W592 HydrophobicContact CD2-CZ3 4.26Å; Y564-W592 HydrophobicContact CE2-CH2 4.46Å; Y564-W592 HydrophobicContact CG-CH2 4.46Å; Y564-L596 HydrophobicContact CD2-CD2 4.03Å; Y564-L596 HydrophobicContact CG-CD2 4.45Å
565N92.9Very high89.7Confident88 Ų8887.7 Ų87.747%0.47144%0.438SS..Hα-helixtrans-60.8-40.2-178.7-70.5-18.6000112.5K561 Q562 M568 K569K561-N565 WeakPolarHBondContact O-CB 3.27Å; K561-N565 VanDerWaalsContact O-CG 3.23Å; K561-N565 PolarHBondContact O-N 3.47Å; K561-N565 PolarHBondContact O-ND2 3.33Å; Q562-N565 PolarHBondContact O-N 3.44Å; N565-M568 PolarHBondContact O-N 3.33Å; N565-K569 WeakPolarHBondContact O-CB 3.49Å; N565-K569 PolarHBondContact O-N 2.99Å
566K89.6Confident88.8Confident143 Ų14383.1 Ų83.162%0.62242%0.423SS*.Hα-helixtrans-61.9-46.7175.3-75.3177.4-176.8177.80111.5Q562 L563 Y564 K569 A570Q562-K566 WeakPolarHBondContact O-CB 3.48Å; Q562-K566 WeakPolarHBondContact O-CG 3.35Å; Q562-K566 PolarHBondContact O-N 2.69Å; L563-K566 PolarHBondContact O-N 2.97Å; Y564-K566 VanDerWaalsContact C-N 3.32Å; Y564-K566 PolarHBondContact O-N 3.32Å; K566-K569 PolarHBondContact O-N 2.75Å; K566-A570 PolarHBondContact O-N 2.9Å
567Q87.7Confident88Confident26 Ų2681.8 Ų81.812%0.12142%0.419CS..Hα-helixtrans-63.5-42.9178.3-168.177.2-5.200111.7L563 Y564 K569 A570 M571 P578 W592L563-Q567 WeakPolarHBondContact O-CB 3.43Å; L563-Q567 PolarHBondContact O-N 2.84Å; Y564-Q567 PolarHBondContact O-N 3.21Å; Q567-K569 VanDerWaalsContact C-N 3.31Å; Q567-K569 PolarHBondContact O-N 3.24Å; Q567-A570 PolarHBondContact O-N 3.08Å; Q567-M571 WeakPolarHBondContact O-CB 3.23Å; Q567-M571 PolarHBondContact O-N 3.22Å; Q567-P578 PolarHBondContact NE2-O 2.91Å; Q567-W592 HydrophobicContact CB-CH2 3.47Å; Q567-W592 VanDerWaalsContact CB-CH2 3.47Å; Q567-W592 HydrophobicContact CB-CZ2 3.27Å; Q567-W592 HydrophobicContact CB-CZ3 4.22Å; Q567-W592 HydrophobicContact CG-CD2 3.89Å; Q567-W592 HydrophobicContact CG-CE3 3.98Å; Q567-W592 HydrophobicContact CG-CH2 3.59Å; Q567-W592 HydrophobicContact CG-CZ2 3.48Å; Q567-W592 VanDerWaalsContact CG-CZ2 3.48Å; Q567-W592 HydrophobicContact CG-CZ3 3.84Å
568M89.3Confident87.2Confident61 Ų6181 Ų8130%0.342%0.417SS..Hα-helixtrans-63.8-36.1177.4-68.6-52.1-6400112.3Y564 N565 K572Y564-M568 HydrophobicContact CD1-CG 3.93Å; Y564-M568 HydrophobicContact CD2-CG 4.4Å; Y564-M568 HydrophobicContact CE1-CG 3.55Å; Y564-M568 HydrophobicContact CE1-SD 4.4Å; Y564-M568 HydrophobicContact CE2-CG 4.05Å; Y564-M568 HydrophobicContact CE2-SD 4.06Å; Y564-M568 HydrophobicContact CG-CG 4.33Å; Y564-M568 VanDerWaalsContact O-CG 3.29Å; Y564-M568 WeakPolarHBondContact O-CG 3.48Å; Y564-M568 PolarHBondContact O-N 3.07Å; N565-M568 PolarHBondContact O-N 3.33Å; M568-K572 WeakPolarHBondContact O-CG 3.38Å; M568-K572 PolarHBondContact O-N 3.38Å
569K88.1Confident86.6Confident132 Ų13279.8 Ų79.857%0.57441%0.413SS*.Hα-helixtrans-67.8-47.9174.2-175.3178.3172-178.10111.4N565 K566 Q567 M571 K572 E573N565-K569 WeakPolarHBondContact O-CB 3.49Å; N565-K569 PolarHBondContact O-N 2.99Å; K566-K569 PolarHBondContact O-N 2.75Å; Q567-K569 VanDerWaalsContact C-N 3.31Å; Q567-K569 PolarHBondContact O-N 3.24Å; K569-M571 VanDerWaalsContact C-N 3.31Å; K569-M571 PolarHBondContact O-N 3.22Å; K569-K572 WeakPolarHBondContact O-CB 3.47Å; K569-K572 PolarHBondContact O-N 3.39Å; K569-K572 VanDerWaalsContact O-N 3.1Å; K569-E573 WeakPolarHBondContact CE-OE1 3.46Å; K569-E573 IonicContact NZ-OE1 3.46Å; K569-E573 PolarHBondContact O-N 2.94Å; K569-E573 VanDerWaalsContact O-N 3.13Å
570A85.7Confident85.9Confident23 Ų2381.9 Ų81.919%0.1942%0.42CS..Hα-helixtrans-60.1-40.7178.100000112.2K566 Q567 K572 E573 L574 P578K566-A570 PolarHBondContact O-N 2.9Å; Q567-A570 PolarHBondContact O-N 3.08Å; A570-K572 VanDerWaalsContact C-N 3.3Å; A570-K572 PolarHBondContact O-N 3.38Å; A570-E573 PolarHBondContact O-N 3.37Å; A570-E573 VanDerWaalsContact O-N 3.14Å; A570-L574 HydrophobicContact CB-CD1 4.32Å; A570-L574 WeakPolarHBondContact O-CB 3.34Å; A570-L574 PolarHBondContact O-N 2.9Å; A570-P578 HydrophobicContact CB-CG 3.63Å
571M85.1Confident85.3Confident68 Ų6891.3 Ų91.334%0.33546%0.46SS..Hα-helixtrans-60.8-36.9175.2-176.1-174.4-79.100112.7Q567 K569 G575 A577Q567-M571 WeakPolarHBondContact O-CB 3.23Å; Q567-M571 PolarHBondContact O-N 3.22Å; K569-M571 VanDerWaalsContact C-N 3.31Å; K569-M571 PolarHBondContact O-N 3.22Å; M571-G575 PolarHBondContact O-N 3.49Å; M571-G575 VanDerWaalsContact O-N 3.08Å; M571-A577 HydrophobicContact CE-CB 3.55Å
572K85Confident84.8Confident182 Ų18293.3 Ų93.379%0.79148%0.477SS*.Hα-helixtrans-69-33.5174.8-72.6177.3-178.8-175.70112.8M568 K569 A570M568-K572 WeakPolarHBondContact O-CG 3.38Å; M568-K572 PolarHBondContact O-N 3.38Å; K569-K572 WeakPolarHBondContact O-CB 3.47Å; K569-K572 PolarHBondContact O-N 3.39Å; K569-K572 VanDerWaalsContact O-N 3.1Å; A570-K572 VanDerWaalsContact C-N 3.3Å; A570-K572 PolarHBondContact O-N 3.38Å
573E86Confident84.4Confident138 Ų13890.2 Ų90.265%0.64546%0.463SS*.Hα-helixtrans-80.8-37.3-178.7-70.2172.817800112.6K569 A570K569-E573 WeakPolarHBondContact CE-OE1 3.46Å; K569-E573 IonicContact NZ-OE1 3.46Å; K569-E573 PolarHBondContact O-N 2.94Å; K569-E573 VanDerWaalsContact O-N 3.13Å; A570-E573 PolarHBondContact O-N 3.37Å; A570-E573 VanDerWaalsContact O-N 3.14Å
574L81.6Confident84.1Confident123 Ų12391.1 Ų91.164%0.64447%0.474SS*.Hα-helixtrans-93.6-14.8-175.9-75.6145.5000114A570 S576 P578A570-L574 HydrophobicContact CB-CD1 4.32Å; A570-L574 WeakPolarHBondContact O-CB 3.34Å; A570-L574 PolarHBondContact O-N 2.9Å; L574-S576 PolarHBondContact O-N 3.27Å; L574-P578 HydrophobicContact CD1-CG 4.32Å
575G77.4Confident83.6Confident73 Ų7391.5 Ų91.575%0.75348%0.479SS*.SBendtrans77.5-12.2-176.900000114.9M571M571-G575 PolarHBondContact O-N 3.49Å; M571-G575 VanDerWaalsContact O-N 3.08Å
576S73.7Confident83.1Confident34 Ų3493 Ų9324%0.23849%0.491CS..SBendtrans-137.3164.8173.169.30000112L574 E585L574-S576 PolarHBondContact O-N 3.27Å; S576-E585 VanDerWaalsContact CB-CD 3.46Å; S576-E585 VanDerWaalsContact CB-OE1 3.27Å; S576-E585 WeakPolarHBondContact CB-OE1 3.5Å; S576-E585 PolarHBondContact OG-OE1 3.3Å
577A75.9Confident83Confident15 Ų1589.1 Ų89.112%0.12448%0.482CS..  trans-68.6129.5-17900000110.6M571 T579M571-A577 HydrophobicContact CE-CB 3.55Å; A577-T579 WeakPolarHBondContact O-CG2 3.37Å; A577-T579 PolarHBondContact O-N 3.33Å; A577-T579 VanDerWaalsContact O-N 3.08Å
578P76.9Confident83Confident44 Ų4488 Ų8829%0.28648%0.478SS..  trans-62113.4169.6-18.627.9000110.4Q567 A570 L574Q567-P578 PolarHBondContact NE2-O 2.91Å; A570-P578 HydrophobicContact CB-CG 3.63Å; L574-P578 HydrophobicContact CD1-CG 4.32Å
579T81.6Confident82.8Confident52 Ų5285.9 Ų85.932%0.31947%0.472SS..  trans-107.5159.4-17961.50000112.3A577 M583A577-T579 WeakPolarHBondContact O-CG2 3.37Å; A577-T579 PolarHBondContact O-N 3.33Å; A577-T579 VanDerWaalsContact O-N 3.08Å; T579-M583 PolarHBondContact OG1-O 3.21Å; T579-M583 VanDerWaalsContact OG1-O 3.14Å
580N80Confident82.7Confident96 Ų9685.4 Ų85.451%0.51348%0.475SS..  trans-64.5157.5171.1-71.6-40.7000110.9N582 M583N580-N582 PolarHBondContact O-N 2.84Å; N580-M583 HydrophobicContact CB-CG 4.39Å; N580-M583 HydrophobicContact CB-SD 4.01Å; N580-M583 WeakPolarHBondContact O-CB 3.49Å; N580-M583 PolarHBondContact O-N 3.36Å; N580-M583 VanDerWaalsContact O-N 3.12Å
581K80.8Confident82.9Confident200 Ų20090.6 Ų90.687%0.8749%0.49SS*.THydrogen-bonded Turntrans-50.5134.6178.6-66.8-176.7-179.5179.30110.8M583K581-M583 VanDerWaalsContact C-N 3.32Å; K581-M583 PolarHBondContact O-N 3.32Å
582N83.8Confident83.1Confident171 Ų17189.4 Ų89.491%0.91448%0.481SS*.THydrogen-bonded Turntrans65.122.5179.9-49.8-37.5000115.7N580N580-N582 PolarHBondContact O-N 2.84Å
583M85.3Confident83.3Confident50 Ų5083 Ų8325%0.24646%0.463CS..  trans-106132.6173.5-72.7-167.2167.600113T579 N580 K581 R591T579-M583 PolarHBondContact OG1-O 3.21Å; T579-M583 VanDerWaalsContact OG1-O 3.14Å; N580-M583 HydrophobicContact CB-CG 4.39Å; N580-M583 HydrophobicContact CB-SD 4.01Å; N580-M583 WeakPolarHBondContact O-CB 3.49Å; N580-M583 PolarHBondContact O-N 3.36Å; N580-M583 VanDerWaalsContact O-N 3.12Å; K581-M583 VanDerWaalsContact C-N 3.32Å; K581-M583 PolarHBondContact O-N 3.32Å; M583-R591 VanDerWaalsContact CE-CD 3.44Å; M583-R591 VanDerWaalsContact CE-NH1 3.29Å
584P87.3Confident83.5Confident88 Ų8880.9 Ų80.957%0.57145%0.452SS*.  trans-59.3148.7168.8-19.230.1000111.7V586 S587 G588P584-V586 PolarHBondContact O-N 3.4Å; P584-S587 WeakPolarHBondContact CB-OG 2.95Å; P584-S587 WeakPolarHBondContact CD-OG 3.47Å; P584-S587 PolarHBondContact O-N 3.34Å; P584-S587 PolarHBondContact O-OG 2.96Å; P584-G588 WeakPolarHBondContact O-CA 3.48Å; P584-G588 PolarHBondContact O-N 2.65Å
585E81.2Confident83.9Confident114 Ų11478.8 Ų78.853%0.53344%0.439SS..Hα-helixtrans-59.2-46.7-170.6-60.4-171.4147.100113.4S576 G589S576-E585 VanDerWaalsContact CB-CD 3.46Å; S576-E585 VanDerWaalsContact CB-OE1 3.27Å; S576-E585 WeakPolarHBondContact CB-OE1 3.5Å; S576-E585 PolarHBondContact OG-OE1 3.3Å; E585-G589 PolarHBondContact O-N 3.2Å
586V83.6Confident84.6Confident119 Ų11976.1 Ų76.172%0.72141%0.407SS*.Hα-helixtrans-69.1-50.8-177.5179.90000111.3P584 G589 L590P584-V586 PolarHBondContact O-N 3.4Å; V586-G589 PolarHBondContact O-N 2.99Å; V586-L590 HydrophobicContact CG1-CD1 4.34Å; V586-L590 WeakPolarHBondContact O-CG 3.29Å; V586-L590 PolarHBondContact O-N 3.3Å
587S86.7Confident85.5Confident62 Ų6279.6 Ų79.643%0.43442%0.42SS..Hα-helixtrans-71-33.2-177.9560000112.5P584 R591P584-S587 WeakPolarHBondContact CB-OG 2.95Å; P584-S587 WeakPolarHBondContact CD-OG 3.47Å; P584-S587 PolarHBondContact O-N 3.34Å; P584-S587 PolarHBondContact O-OG 2.96Å; S587-R591 VanDerWaalsContact O-CB 3.3Å; S587-R591 WeakPolarHBondContact O-CB 3.31Å; S587-R591 PolarHBondContact O-N 2.99Å
588G87.3Confident86.3Confident3 Ų382.1 Ų82.13%0.03143%0.429CS..Hα-helixtrans-68.3-40.5173.900000112.7P584 R591 W592P584-G588 WeakPolarHBondContact O-CA 3.48Å; P584-G588 PolarHBondContact O-N 2.65Å; G588-R591 PolarHBondContact O-N 3.43Å; G588-W592 PolarHBondContact O-N 3.47Å
589G85.9Confident87Confident17 Ų1785.6 Ų85.618%0.17544%0.437CS..Hα-helixtrans-62.8-44.9173.500000112.7E585 V586 R591 W592 A593E585-G589 PolarHBondContact O-N 3.2Å; V586-G589 PolarHBondContact O-N 2.99Å; G589-R591 PolarHBondContact O-N 2.95Å; G589-W592 PolarHBondContact O-N 2.72Å; G589-A593 PolarHBondContact O-N 2.98Å; G589-A593 VanDerWaalsContact O-N 3.09Å
590L87.1Confident87.5Confident122 Ų12286 Ų8664%0.63944%0.436SS*.Hα-helixtrans-61.6-42.6174.6-72.4173.9000112V586 A593 H594V586-L590 HydrophobicContact CG1-CD1 4.34Å; V586-L590 WeakPolarHBondContact O-CG 3.29Å; V586-L590 PolarHBondContact O-N 3.3Å; L590-A593 PolarHBondContact O-N 2.98Å; L590-H594 WeakPolarHBondContact O-CB 3.44Å; L590-H594 PolarHBondContact O-N 3.41Å
591R88.6Confident88.1Confident132 Ų13289 Ų8950%0.49844%0.44SS..Hα-helixtrans-63.6-45.2178.2-179.1173.7175151.30.7112.1M583 S587 G588 G589 A593 H594 E595M583-R591 VanDerWaalsContact CE-CD 3.44Å; M583-R591 VanDerWaalsContact CE-NH1 3.29Å; S587-R591 VanDerWaalsContact O-CB 3.3Å; S587-R591 WeakPolarHBondContact O-CB 3.31Å; S587-R591 PolarHBondContact O-N 2.99Å; G588-R591 PolarHBondContact O-N 3.43Å; G589-R591 PolarHBondContact O-N 2.95Å; R591-A593 VanDerWaalsContact C-N 3.33Å; R591-A593 PolarHBondContact O-N 3.35Å; R591-H594 WeakPolarHBondContact O-CB 3.4Å; R591-H594 PolarHBondContact O-N 2.95Å; R591-E595 HydrophobicContact CG-CG 4.36Å; R591-E595 WeakPolarHBondContact CG-OE1 3.47Å; R591-E595 IonicContact CZ-OE1 3.73Å; R591-E595 IonicContact NE-OE1 2.86Å; R591-E595 PolarHBondContact NE-OE1 3.43Å; R591-E595 IonicContact NH2-OE1 3.7Å; R591-E595 WeakPolarHBondContact O-CG 3.46Å; R591-E595 PolarHBondContact O-N 3.26Å
592W89.6Confident88.6Confident43 Ų4382.7 Ų82.716%0.16342%0.418CS..Hα-helixtrans-60.3-43.3176.3171.287.6000111.9L563 Y564 Q567 G588 G589 H594 E595 L596L563-W592 HydrophobicContact CG-CZ2 4.44Å; Y564-W592 AromaticContact CD2-CH2 3.74Å; Y564-W592 HydrophobicContact CD2-CH2 3.74Å; Y564-W592 HydrophobicContact CD2-CZ3 4.26Å; Y564-W592 HydrophobicContact CE2-CH2 4.46Å; Y564-W592 HydrophobicContact CG-CH2 4.46Å; Q567-W592 HydrophobicContact CB-CH2 3.47Å; Q567-W592 VanDerWaalsContact CB-CH2 3.47Å; Q567-W592 HydrophobicContact CB-CZ2 3.27Å; Q567-W592 HydrophobicContact CB-CZ3 4.22Å; Q567-W592 HydrophobicContact CG-CD2 3.89Å; Q567-W592 HydrophobicContact CG-CE3 3.98Å; Q567-W592 HydrophobicContact CG-CH2 3.59Å; Q567-W592 HydrophobicContact CG-CZ2 3.48Å; Q567-W592 VanDerWaalsContact CG-CZ2 3.48Å; Q567-W592 HydrophobicContact CG-CZ3 3.84Å; G588-W592 PolarHBondContact O-N 3.47Å; G589-W592 PolarHBondContact O-N 2.72Å; W592-H594 VanDerWaalsContact C-N 3.3Å; W592-H594 PolarHBondContact O-N 2.88Å; W592-E595 PolarHBondContact O-N 3.18Å; W592-L596 HydrophobicContact CH2-CD2 3.9Å; W592-L596 HydrophobicContact CZ2-CD2 3.94Å; W592-L596 PolarHBondContact O-N 3.01Å
593A88.7Confident88.8Confident48 Ų4875.5 Ų75.540%0.39738%0.381SS..Hα-helixtrans-62.5-40.2176.900000111.4G589 L590 R591 Q597G589-A593 PolarHBondContact O-N 2.98Å; G589-A593 VanDerWaalsContact O-N 3.09Å; L590-A593 PolarHBondContact O-N 2.98Å; R591-A593 VanDerWaalsContact C-N 3.33Å; R591-A593 PolarHBondContact O-N 3.35Å; A593-Q597 WeakPolarHBondContact O-CB 3.4Å; A593-Q597 PolarHBondContact O-N 2.95Å
594H90.4Very high89.1Confident93 Ų9378.6 Ų78.643%0.43139%0.393SS..Hα-helixtrans-64.7-44.4174.2-17170.5000112.4L590 R591 W592 L596 Q597 Q598L590-H594 WeakPolarHBondContact O-CB 3.44Å; L590-H594 PolarHBondContact O-N 3.41Å; R591-H594 WeakPolarHBondContact O-CB 3.4Å; R591-H594 PolarHBondContact O-N 2.95Å; W592-H594 VanDerWaalsContact C-N 3.3Å; W592-H594 PolarHBondContact O-N 2.88Å; H594-L596 VanDerWaalsContact C-N 3.34Å; H594-L596 PolarHBondContact O-N 3.44Å; H594-Q597 WeakPolarHBondContact O-CB 3.35Å; H594-Q597 PolarHBondContact O-N 3.13Å; H594-Q598 PolarHBondContact CE1-NE2 3.1Å; H594-Q598 PolarHBondContact NE2-NE2 3.07Å; H594-Q598 VanDerWaalsContact NE2-NE2 3.13Å; H594-Q598 VanDerWaalsContact O-CG 3.31Å; H594-Q598 WeakPolarHBondContact O-CG 3.4Å; H594-Q598 PolarHBondContact O-N 3.3Å
595E90.9Very high89.2Confident78 Ų7877.2 Ų77.236%0.36439%0.386SS..Hα-helixtrans-60.1-43177.3-74.3170.7-177.500111.4R591 W592 Q598 R599R591-E595 HydrophobicContact CG-CG 4.36Å; R591-E595 WeakPolarHBondContact CG-OE1 3.47Å; R591-E595 IonicContact CZ-OE1 3.73Å; R591-E595 IonicContact NE-OE1 2.86Å; R591-E595 PolarHBondContact NE-OE1 3.43Å; R591-E595 IonicContact NH2-OE1 3.7Å; R591-E595 WeakPolarHBondContact O-CG 3.46Å; R591-E595 PolarHBondContact O-N 3.26Å; W592-E595 PolarHBondContact O-N 3.18Å; E595-Q598 PolarHBondContact O-N 3.37Å; E595-R599 WeakPolarHBondContact O-CB 3.38Å; E595-R599 PolarHBondContact O-N 3.39Å
596L91.8Very high89.5Confident17 Ų1774.2 Ų74.29%0.08937%0.371CS..Hα-helixtrans-65.9-40.4175.2-172.761.8000112.2C560 L563 Y564 W592 H594 R599 I600C560-L596 HydrophobicContact CB-CD1 3.71Å; L563-L596 HydrophobicContact CD2-CD1 4.19Å; Y564-L596 HydrophobicContact CD2-CD2 4.03Å; Y564-L596 HydrophobicContact CG-CD2 4.45Å; W592-L596 HydrophobicContact CH2-CD2 3.9Å; W592-L596 HydrophobicContact CZ2-CD2 3.94Å; W592-L596 PolarHBondContact O-N 3.01Å; H594-L596 VanDerWaalsContact C-N 3.34Å; H594-L596 PolarHBondContact O-N 3.44Å; L596-R599 PolarHBondContact O-N 2.84Å; L596-I600 PolarHBondContact O-N 3.2Å
597Q92.9Very high89.7Confident107 Ų10769 Ų6950%0.534%0.339SS..Hα-helixtrans-61.9-43.8174.5-175-17747.400111.5A593 H594 I600 R601A593-Q597 WeakPolarHBondContact O-CB 3.4Å; A593-Q597 PolarHBondContact O-N 2.95Å; H594-Q597 WeakPolarHBondContact O-CB 3.35Å; H594-Q597 PolarHBondContact O-N 3.13Å; Q597-I600 PolarHBondContact O-N 3.2Å; Q597-R601 VanDerWaalsContact O-CB 3.23Å; Q597-R601 WeakPolarHBondContact O-CB 3.3Å; Q597-R601 PolarHBondContact O-N 3.45Å
598Q92.8Very high89.6Confident68 Ų6874.6 Ų74.632%0.31835%0.351SS..Hα-helixtrans-64.3-41.6177.6-70.7-65.4-7.100111.8H594 E595 I600 R601 V602H594-Q598 PolarHBondContact CE1-NE2 3.1Å; H594-Q598 PolarHBondContact NE2-NE2 3.07Å; H594-Q598 VanDerWaalsContact NE2-NE2 3.13Å; H594-Q598 VanDerWaalsContact O-CG 3.31Å; H594-Q598 WeakPolarHBondContact O-CG 3.4Å; H594-Q598 PolarHBondContact O-N 3.3Å; E595-Q598 PolarHBondContact O-N 3.37Å; Q598-I600 PolarHBondContact O-N 3.33Å; Q598-R601 PolarHBondContact O-N 3.38Å; Q598-V602 WeakPolarHBondContact O-CG2 3.27Å; Q598-V602 PolarHBondContact O-N 2.97Å
599R91.6Very high89.3Confident117 Ų11781.4 Ų81.444%0.44239%0.386SS..Hα-helixtrans-56.9-31.7177-172.7172.7174167.8-0.7112.9E556 E595 L596 P603E556-R599 IonicContact OE1-CZ 2.72Å; E556-R599 IonicContact OE1-NE 2.84Å; E556-R599 PolarHBondContact OE1-NE 2.92Å; E556-R599 IonicContact OE1-NH2 3.92Å; E556-R599 PolarHBondContact OE1-NH2 3.03Å; E556-R599 IonicContact OE2-NH2 2.65Å; E595-R599 WeakPolarHBondContact O-CB 3.38Å; E595-R599 PolarHBondContact O-N 3.39Å; L596-R599 PolarHBondContact O-N 2.84Å; R599-P603 WeakPolarHBondContact O-CD 3.42Å; R599-P603 WeakPolarHBondContact O-CG 3.49Å
600I92.5Very high88.8Confident62 Ų6283.2 Ų83.232%0.31839%0.391SS..Hα-helixtrans-85.6-46.3173.9-63.8169.9000111.5L557 C560 L596 Q597 Q598 V602 P603 F604L557-I600 HydrophobicContact CD2-CB 4.47Å; L557-I600 HydrophobicContact CD2-CG1 4.14Å; L557-I600 HydrophobicContact CD2-CG2 3.7Å; C560-I600 HydrophobicContact CB-CD1 3.95Å; C560-I600 HydrophobicContact CB-CG1 4Å; L596-I600 PolarHBondContact O-N 3.2Å; Q597-I600 PolarHBondContact O-N 3.2Å; Q598-I600 PolarHBondContact O-N 3.33Å; I600-V602 PolarHBondContact O-N 2.85Å; I600-P603 WeakPolarHBondContact O-CD 3.41Å; I600-F604 VanDerWaalsContact O-CB 3.3Å; I600-F604 WeakPolarHBondContact O-CB 3.49Å; I600-F604 PolarHBondContact O-N 3.09Å
601R92.4Very high88Confident157 Ų15781.3 Ų81.359%0.59238%0.378SS*.Hα-helixtrans-67.8-38.7-169.3-172.6176.8178.4175.2-1112.9Q597 Q598 F604 S605Q597-R601 VanDerWaalsContact O-CB 3.23Å; Q597-R601 WeakPolarHBondContact O-CB 3.3Å; Q597-R601 PolarHBondContact O-N 3.45Å; Q598-R601 PolarHBondContact O-N 3.38Å; R601-F604 PolarHBondContact O-N 3.44Å; R601-S605 PolarHBondContact O-N 3.13Å; R601-S605 PolarHBondContact O-OG 3.5Å
602V90Very high86.2Confident68 Ų6883.5 Ų83.541%0.41241%0.409SS..Hα-helixtrans-63.8-56-178.1170.50000111.1Q598 I600 F604 S605 K606Q598-V602 WeakPolarHBondContact O-CG2 3.27Å; Q598-V602 PolarHBondContact O-N 2.97Å; I600-V602 PolarHBondContact O-N 2.85Å; V602-F604 VanDerWaalsContact C-N 3.29Å; V602-F604 PolarHBondContact O-N 2.94Å; V602-S605 PolarHBondContact O-N 3.14Å; V602-S605 PolarHBondContact O-OG 3.08Å; V602-K606 PolarHBondContact O-N 3.43Å
603P89.2Confident86Confident20 Ų2085.6 Ų85.613%0.1342%0.422CS..Hα-helixtrans-60.9-36.4175.7-21.532.3000113.3L519 F523 F553 R599 I600 S605 K606 L607L519-P603 HydrophobicContact CD2-CB 3.69Å; L519-P603 HydrophobicContact CD2-CG 4.05Å; F523-P603 HydrophobicContact CE2-CB 3.98Å; F553-P603 HydrophobicContact CD2-CB 3.95Å; F553-P603 HydrophobicContact CE2-CB 3.81Å; R599-P603 WeakPolarHBondContact O-CD 3.42Å; R599-P603 WeakPolarHBondContact O-CG 3.49Å; I600-P603 WeakPolarHBondContact O-CD 3.41Å; P603-S605 PolarHBondContact O-N 3.21Å; P603-K606 PolarHBondContact O-N 3.5Å; P603-L607 PolarHBondContact O-N 3.08Å
604F90.1Very high85.9Confident115 Ų11587.5 Ų87.550%0.50442%0.423SS..Hα-helixtrans-61.6-42.6176.8-175.2-105000112.6F553 I600 R601 V602 K606 L607 R608F553-F604 HydrophobicContact CE1-CD2 4.02Å; F553-F604 HydrophobicContact CZ-CB 3.88Å; F553-F604 AromaticContact CZ-CD2 3.98Å; F553-F604 HydrophobicContact CZ-CD2 3.98Å; F553-F604 HydrophobicContact CZ-CG 4.44Å; I600-F604 VanDerWaalsContact O-CB 3.3Å; I600-F604 WeakPolarHBondContact O-CB 3.49Å; I600-F604 PolarHBondContact O-N 3.09Å; R601-F604 PolarHBondContact O-N 3.44Å; V602-F604 VanDerWaalsContact C-N 3.29Å; V602-F604 PolarHBondContact O-N 2.94Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 3.37Å; F604-L607 PolarHBondContact O-N 2.86Å; F604-R608 PolarHBondContact O-N 2.83Å
605S89.7Confident85.6Confident59 Ų5987.2 Ų87.241%0.41342%0.423SS..Hα-helixtrans-62.9-37.7175.660.20000112.7R601 V602 P603 R608 L609R601-S605 PolarHBondContact O-N 3.13Å; R601-S605 PolarHBondContact O-OG 3.5Å; V602-S605 PolarHBondContact O-N 3.14Å; V602-S605 PolarHBondContact O-OG 3.08Å; P603-S605 PolarHBondContact O-N 3.21Å; S605-R608 PolarHBondContact O-N 3.37Å; S605-L609 PolarHBondContact O-N 3.43Å
606K87.6Confident85.3Confident51 Ų5187.8 Ų87.822%0.22243%0.426CS..Hα-helixtrans-67.4-42.1176.5-65.8-170.9179.2-159.20111.8F523 E527 V602 P603 F604 R608 L609 L610F523-K606 HydrophobicContact CB-CD 3.93Å; F523-K606 HydrophobicContact CD1-CB 3.8Å; F523-K606 HydrophobicContact CD1-CD 4.05Å; F523-K606 HydrophobicContact CD2-CD 4.29Å; F523-K606 HydrophobicContact CE1-CB 3.77Å; F523-K606 HydrophobicContact CG-CB 4.29Å; F523-K606 HydrophobicContact CG-CD 3.82Å; F523-K606 HydrophobicContact CZ-CB 4.23Å; E527-K606 VanDerWaalsContact CD-NZ 3.34Å; E527-K606 WeakPolarHBondContact OE1-CD 3.42Å; E527-K606 WeakPolarHBondContact OE1-CE 3.45Å; E527-K606 IonicContact OE1-NZ 3.22Å; E527-K606 PolarHBondContact OE1-NZ 3.49Å; E527-K606 IonicContact OE2-NZ 2.72Å; E527-K606 PolarHBondContact OE2-NZ 2.9Å; V602-K606 PolarHBondContact O-N 3.43Å; P603-K606 PolarHBondContact O-N 3.5Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 3.37Å; K606-R608 VanDerWaalsContact C-N 3.32Å; K606-R608 PolarHBondContact O-N 2.82Å; K606-L609 PolarHBondContact O-N 3.14Å; K606-L610 PolarHBondContact O-N 3.44Å
607L87.4Confident84.9Confident11 Ų1192.2 Ų92.26%0.05845%0.447CS..Hα-helixtrans-58.9-43.7173.6-77.5168.1000112.2F523 L549 L550 F553 P603 F604 L609 L610 F611F523-L607 HydrophobicContact CE1-CD2 4.25Å; F523-L607 HydrophobicContact CE1-CG 4.32Å; F523-L607 HydrophobicContact CZ-CD1 4.49Å; F523-L607 HydrophobicContact CZ-CD2 3.83Å; F523-L607 HydrophobicContact CZ-CG 3.69Å; L549-L607 HydrophobicContact CD2-CD2 3.75Å; L549-L607 HydrophobicContact CG-CD2 4.02Å; L550-L607 HydrophobicContact CD2-CD2 4.14Å; F553-L607 HydrophobicContact CB-CD1 3.84Å; F553-L607 HydrophobicContact CD1-CD1 3.2Å; F553-L607 HydrophobicContact CD2-CD1 4.01Å; F553-L607 HydrophobicContact CE1-CD1 3.64Å; F553-L607 HydrophobicContact CE2-CD1 4.37Å; F553-L607 HydrophobicContact CG-CD1 3.4Å; F553-L607 HydrophobicContact CZ-CD1 4.2Å; P603-L607 PolarHBondContact O-N 3.08Å; F604-L607 PolarHBondContact O-N 2.86Å; L607-L609 PolarHBondContact O-N 3.12Å; L607-L610 PolarHBondContact O-N 3.02Å; L607-F611 HydrophobicContact CD2-CD2 4.47Å; L607-F611 HydrophobicContact CD2-CE2 3.96Å; L607-F611 VanDerWaalsContact O-CD2 3.31Å; L607-F611 WeakPolarHBondContact O-CD2 3.48Å; L607-F611 PolarHBondContact O-N 3.34Å
608R86Confident84.4Confident179 Ų17991.2 Ų91.268%0.67544%0.444SS*.Hα-helixtrans-62.6-27.4179.8-170.4177.2175.1-175.8-1.6113F604 S605 K606 F611F604-R608 PolarHBondContact O-N 2.83Å; S605-R608 PolarHBondContact O-N 3.37Å; K606-R608 VanDerWaalsContact C-N 3.32Å; K606-R608 PolarHBondContact O-N 2.82Å; R608-F611 CarbonylContact O-C 3.17Å
609L81.3Confident83.8Confident146 Ų14692.9 Ų92.976%0.76445%0.452SS*.Hα-helixtrans-74.7-28174.4-68.1169.6000112.6S605 K606 L607S605-L609 PolarHBondContact O-N 3.43Å; K606-L609 PolarHBondContact O-N 3.14Å; L607-L609 PolarHBondContact O-N 3.12Å
610L75.4Confident83.2Confident54 Ų5491 Ų9128%0.28345%0.453SS..Hα-helixtrans-83.1-26178.3-64.2170.6000112.8F523 L526 L549 K606 L607 P612F523-L610 HydrophobicContact CD1-CD1 4.39Å; F523-L610 HydrophobicContact CE1-CD1 3.85Å; L526-L610 HydrophobicContact CD1-CD1 3.92Å; L549-L610 HydrophobicContact CD2-CD1 3.9Å; K606-L610 PolarHBondContact O-N 3.44Å; L607-L610 PolarHBondContact O-N 3.02Å; L610-P612 WeakPolarHBondContact O-CD 3.42Å
611F68.4Low82.4Confident82 Ų8293.4 Ų93.436%0.3647%0.465SS..  trans-123.380.2177.4-53.2-76.9000109.2Y546 L550 L607 R608Y546-F611 HydrophobicContact CD1-CZ 4.12Å; Y546-F611 AromaticContact CD2-CE1 3.59Å; Y546-F611 HydrophobicContact CD2-CE1 3.59Å; Y546-F611 AromaticContact CD2-CZ 3.8Å; Y546-F611 HydrophobicContact CD2-CZ 3.8Å; Y546-F611 HydrophobicContact CE2-CE1 4.09Å; Y546-F611 HydrophobicContact CE2-CZ 4.39Å; Y546-F611 AromaticContact CG-CE1 3.94Å; Y546-F611 HydrophobicContact CG-CE1 3.94Å; Y546-F611 AromaticContact CG-CZ 3.64Å; Y546-F611 HydrophobicContact CG-CZ 3.64Å; L550-F611 HydrophobicContact CD2-CE2 4.29Å; L607-F611 HydrophobicContact CD2-CD2 4.47Å; L607-F611 HydrophobicContact CD2-CE2 3.96Å; L607-F611 VanDerWaalsContact O-CD2 3.31Å; L607-F611 WeakPolarHBondContact O-CD2 3.48Å; L607-F611 PolarHBondContact O-N 3.34Å; R608-F611 CarbonylContact O-C 3.17Å
612P51.3Low81.5Confident179 Ų17987.6 Ų87.6100%1.16245%0.453SS*.  trans-63.10-177.422.9-31.5000114.3L610L610-P612 WeakPolarHBondContact O-CD 3.42Å

Retrieved 612 of 612 residues in 159.5 ms (Link to these results)

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