A0A077YYC8_TRITR Loading...

Histone deacetylase

AlphaFold DB , UniProt , Accession A0A077YYC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 455 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
1M60.4Low52Low131 Ų131120.5 Ų120.565%0.64562%0.623SS**  0137.20-72.4-176.8-94.700108.4Y26 Y66M1-Y26 HydrophobicContact SD-CE1 4.14Å; M1-Y66 HydrophobicContact CB-CD1 3.97Å; M1-Y66 HydrophobicContact CB-CE1 4.27Å; M1-Y66 HydrophobicContact CB-CG 4.47Å; M1-Y66 HydrophobicContact SD-CD2 4.17Å; M1-Y66 HydrophobicContact SD-CG 4.17Å
2A62.8Low53.5Low68 Ų68119.7 Ų119.756%0.56263%0.627SS**  trans-99.1131.817400000109.6
3E57.1Low55.4Low136 Ų136112.2 Ų112.264%0.63659%0.588SS**BIsolated β-bridgetrans-78.5137.7172.9-173174.1-176.800109.4
4L65.1Low57Low50 Ų50114.3 Ų114.326%0.26260%0.596SS.*  trans-84.7115.9173.6-71.5173.7000109.9Y6 V65L4-Y6 HydrophobicContact CB-CD2 4.28Å; L4-Y6 HydrophobicContact CB-CE2 3.58Å; L4-Y6 HydrophobicContact CD1-CE2 4.45Å; L4-Y6 WeakPolarHBondContact O-CD2 3.43Å; L4-V65 HydrophobicContact CD1-CG1 3.91Å; L4-V65 PolarHBondContact N-O 3.16Å
5D47.2Very low58.4Low149 Ų149112.5 Ų112.580%0.79760%0.597SS**  trans-84.7118.2-173.9-147.74.8000111.4
6Y52.9Low59.5Low83 Ų83110.8 Ų110.833%0.32559%0.593SS.*  trans-125.2111.7179.4-65.4-79000110.8L4 L55 Y60L4-Y6 HydrophobicContact CB-CD2 4.28Å; L4-Y6 HydrophobicContact CB-CE2 3.58Å; L4-Y6 HydrophobicContact CD1-CE2 4.45Å; L4-Y6 WeakPolarHBondContact O-CD2 3.43Å; Y6-L55 HydrophobicContact CE1-CD1 4.06Å; Y6-L55 HydrophobicContact CE1-CD2 4.04Å; Y6-L55 HydrophobicContact CE2-CD2 4.05Å; Y6-Y60 AromaticContact CD2-CD2 3.93Å; Y6-Y60 HydrophobicContact CD2-CD2 3.93Å; Y6-Y60 HydrophobicContact CD2-CE2 4.34Å; Y6-Y60 HydrophobicContact CD2-CG 4.43Å; Y6-Y60 HydrophobicContact CG-CD2 4.04Å; Y6-Y60 AromaticContact CG-CE2 3.99Å; Y6-Y60 HydrophobicContact CG-CE2 3.99Å
7L36.4Very low60.1Low165 Ų165106.4 Ų106.486%0.86457%0.571SS**  trans-68.2134.5-177-67.6166.6000113.3
8G45.4Very low60Low48 Ų48107 Ų10750%0.49559%0.593SS.*  trans110.1106.3160.100000115.9R61G8-R61 PolarHBondContact O-NE 3.13Å; G8-R61 VanDerWaalsContact O-NE 3.13Å; G8-R61 PolarHBondContact O-NH2 2.65Å
9R39.5Very low60.5Low244 Ų244104.4 Ų104.492%0.92158%0.583SS**  trans-9994.2172.6-67.2-177.3-171.41783.3110.9
10N49.2Very low61.6Low133 Ų133108.4 Ų108.471%0.71159%0.588SS**  trans-122.9108.7157.7-101.5-5.9000107.4R61N10-R61 PolarHBondContact O-NH1 2.76Å
11D56.1Low63.1Low118 Ų118104.9 Ų104.963%0.63157%0.567SS**  trans-80.8126.4-171-159.3-5.8000111.2H62D11-H62 IonicContact OD1-CE1 3.56Å; D11-H62 IonicContact OD1-NE2 3.81Å
12T69.8Low64.8Low111 Ų111104.7 Ų104.768%0.68156%0.56SS**  trans-128.6-8.4-178.251.60000113.7
13L78.3Confident66.5Low23 Ų23101.8 Ų101.812%0.1253%0.534CS..PPolyproline II helixtrans-94.7140-176.2-61.1-176.5000111.5M59 V334 I336L13-M59 HydrophobicContact CD1-CG 4.17Å; L13-V334 HydrophobicContact CB-CB 4.41Å; L13-V334 HydrophobicContact CD1-CG2 4.1Å; L13-I336 HydrophobicContact CD1-CG2 4.13Å; L13-I336 HydrophobicContact CD2-CG2 4.14Å
14M77.6Confident68.5Low141 Ų14195.6 Ų95.670%0.69551%0.506SS*.EExtended strand (participates in β ladder)trans-93.2130.7179.4-64.9-69.3156.100110.5V334 S335M14-V334 WeakPolarHBondContact O-CA 3.36Å; M14-S335 PolarHBondContact O-N 3.45Å
15S77.8Confident70.1Confident87 Ų8793.3 Ų93.361%0.60849%0.494SS*.EExtended strand (participates in β ladder)trans-65.4134.7171.4-177.50000110.6T17S15-T17 PolarHBondContact OG-N 3.39Å; S15-T17 PolarHBondContact OG-O 3.23Å
16T77.2Confident72.5Confident86 Ų8686.3 Ų86.353%0.52846%0.457SS..  trans-101.6-7.1175.959.30000112.8G333T16-G333 PolarHBondContact N-O 2.95Å; T16-G333 PolarHBondContact OG1-O 3.38Å; T16-G333 VanDerWaalsContact OG1-O 3.06Å
17T68.2Low74.7Confident36 Ų3683.2 Ų83.222%0.22144%0.444CS..SBendtrans-134.2153.2-175.567.60000113.4S15 S19 R301S15-T17 PolarHBondContact OG-N 3.39Å; S15-T17 PolarHBondContact OG-O 3.23Å; T17-S19 PolarHBondContact OG1-O 3.07Å; T17-R301 PolarHBondContact OG1-NH2 3.32Å
18A59.2Low77.6Confident117 Ų11775.7 Ų75.797%0.96741%0.405SS*.SBendtrans-75.7-25.5-174.300000114.2
19S68.9Low80.1Confident58 Ų5875.9 Ų75.941%0.40640%0.398SS..SBendtrans-113.2122.2177.364.40000111.2T17 K21T17-S19 PolarHBondContact OG1-O 3.07Å; S19-K21 PolarHBondContact O-N 2.98Å
20R82.4Confident82.8Confident184 Ų18467.9 Ų67.969%0.69437%0.373SS*.PPolyproline II helixtrans-77121.3171.8-170.4173.8-179.6160.9-0.2108.4
21K93.2Very high85.1Confident34 Ų3461.6 Ų61.615%0.14834%0.34CS..PPolyproline II helixtrans-86.7147.6174.1-63.8-69.5-177.9175.80109.6S19 I23 D142 I143 N304S19-K21 PolarHBondContact O-N 2.98Å; K21-I23 HydrophobicContact CB-CD1 4.28Å; K21-I23 HydrophobicContact CB-CG1 4.1Å; K21-D142 WeakPolarHBondContact CA-OD2 3.35Å; K21-D142 HydrophobicContact CB-CB 4.21Å; K21-D142 HydrophobicContact CD-CB 3.86Å; K21-I143 HydrophobicContact CB-CD1 4.43Å; K21-I143 HydrophobicContact CG-CD1 4.42Å; K21-N304 WeakPolarHBondContact CE-OD1 3.46Å; K21-N304 PolarHBondContact NZ-OD1 2.65Å
22R97.1Very high87Confident127 Ų12756.3 Ų56.348%0.47931%0.313SS..PPolyproline II helixtrans-80.3119.8168.7-63.2171.2-63.6155.79.8107.9G139 D142 I143R22-G139 PolarHBondContact NH1-O 3.3Å; R22-G139 PolarHBondContact NH2-O 2.97Å; R22-D142 IonicContact CZ-OD1 3.66Å; R22-D142 PolarHBondContact N-OD2 3.26Å; R22-D142 IonicContact NE-OD1 3.35Å; R22-D142 PolarHBondContact NE-OD1 3.32Å; R22-D142 IonicContact NE-OD2 2.75Å; R22-D142 IonicContact NH2-OD1 3.74Å; R22-D142 PolarHBondContact NH2-OD1 3.45Å; R22-D142 PolarHBondContact O-N 3.19Å; R22-I143 PolarHBondContact O-N 3.4Å
23I98Very high88.4Confident7 Ų755.6 Ų55.64%0.03631%0.305CS..EExtended strand (participates in β ladder)trans-124.5133.1-172.1-58-178.3000109.5K21 M63 V64 I143 I145 A331 L332K21-I23 HydrophobicContact CB-CD1 4.28Å; K21-I23 HydrophobicContact CB-CG1 4.1Å; I23-M63 HydrophobicContact CB-CB 3.95Å; I23-M63 HydrophobicContact CG2-CB 3.98Å; I23-M63 HydrophobicContact CG2-SD 4.48Å; I23-M63 WeakPolarHBondContact O-CA 3.43Å; I23-M63 WeakPolarHBondContact O-CB 3.38Å; I23-V64 PolarHBondContact O-N 3.3Å; I23-I143 WeakPolarHBondContact CA-O 3.24Å; I23-I143 HydrophobicContact CD1-CD1 4.28Å; I23-I143 HydrophobicContact CG1-CB 4.16Å; I23-I145 HydrophobicContact CG2-CD1 3.96Å; I23-I145 HydrophobicContact CG2-CG1 4.36Å; I23-A331 HydrophobicContact CD1-CB 4.31Å; I23-A331 WeakPolarHBondContact CD1-O 3.23Å; I23-L332 HydrophobicContact CB-CD2 4.21Å; I23-L332 VanDerWaalsContact CD1-CA 3.5Å; I23-L332 HydrophobicContact CD1-CB 4.4Å; I23-L332 HydrophobicContact CD1-CD2 3.68Å; I23-L332 HydrophobicContact CD1-CG 4.17Å; I23-L332 HydrophobicContact CG1-CD2 4.44Å; I23-L332 HydrophobicContact CG2-CD2 4.36Å
24V98.3Very high89.3Confident7 Ų755.9 Ų55.94%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-113.9138.3171.51710000108.4Y26 V64 Y66 C141 I143 S144 I145V24-Y26 HydrophobicContact CG1-CD2 4.11Å; V24-Y26 HydrophobicContact CG1-CE1 4.42Å; V24-Y26 HydrophobicContact CG1-CE2 3.54Å; V24-V64 WeakPolarHBondContact CA-O 3.45Å; V24-V64 HydrophobicContact CG2-CB 4.48Å; V24-Y66 HydrophobicContact CG1-CD2 3.53Å; V24-Y66 HydrophobicContact CG1-CE2 3.98Å; V24-Y66 HydrophobicContact CG2-CE2 4.15Å; V24-C141 HydrophobicContact CB-CB 4.32Å; V24-C141 HydrophobicContact CG2-CB 3.8Å; V24-I143 PolarHBondContact N-O 2.83Å; V24-S144 CarbonylContact O-C 3.6Å; V24-S144 WeakPolarHBondContact O-CA 3.2Å; V24-I145 PolarHBondContact O-N 3.05Å
25Y98.7Very high90.2Very high1 Ų155.3 Ų55.30%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-128.1128.2177.4166.7-117.3000109.9H51 I54 M63 V64 V65 Y66 I145 W147Y25-H51 AromaticContact CE1-CE1 3.84Å; Y25-H51 AromaticContact CE1-ND1 3.33Å; Y25-H51 VanDerWaalsContact CE1-ND1 3.33Å; Y25-H51 WeakPolarHBondContact CE1-ND1 3.44Å; Y25-H51 AromaticContact CZ-ND1 3.63Å; Y25-H51 PolarHBondContact OH-ND1 3.26Å; Y25-I54 HydrophobicContact CE1-CD1 4.37Å; Y25-I54 HydrophobicContact CE1-CG2 4.45Å; Y25-I54 HydrophobicContact CE2-CD1 4.19Å; Y25-M63 VanDerWaalsContact CB-SD 3.51Å; Y25-M63 HydrophobicContact CD1-CE 3.45Å; Y25-M63 VanDerWaalsContact CD1-CE 3.45Å; Y25-M63 HydrophobicContact CD1-SD 4.37Å; Y25-M63 HydrophobicContact CE1-CE 4.23Å; Y25-M63 HydrophobicContact CG-CE 3.75Å; Y25-M63 HydrophobicContact CG-SD 4.11Å; Y25-V64 PolarHBondContact N-O 3.14Å; Y25-V65 HydrophobicContact CD1-CB 4.44Å; Y25-V65 HydrophobicContact CD1-CG1 3.78Å; Y25-V65 HydrophobicContact CD1-CG2 4.02Å; Y25-V65 HydrophobicContact CE1-CG1 4.21Å; Y25-V65 WeakPolarHBondContact O-CA 3.48Å; Y25-Y66 PolarHBondContact O-N 3.36Å; Y25-I145 HydrophobicContact CD2-CB 4Å; Y25-I145 HydrophobicContact CD2-CG2 3.85Å; Y25-I145 HydrophobicContact CE2-CG2 4.39Å; Y25-W147 AromaticContact CE2-CD1 3.47Å; Y25-W147 VanDerWaalsContact CE2-CD1 3.47Å; Y25-W147 HydrophobicContact CE2-CG 4.37Å; Y25-W147 AromaticContact CE2-NE1 3.96Å
26Y98.5Very high91.1Very high3 Ų351.5 Ų51.51%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-100.5131.8179.1-69.5-79.4000111.4M1 V24 Y66 P68 S131 Q135 S144 I145M1-Y26 HydrophobicContact SD-CE1 4.14Å; V24-Y26 HydrophobicContact CG1-CD2 4.11Å; V24-Y26 HydrophobicContact CG1-CE1 4.42Å; V24-Y26 HydrophobicContact CG1-CE2 3.54Å; Y26-Y66 WeakPolarHBondContact CA-O 3.39Å; Y26-Y66 HydrophobicContact CE1-CD2 4.16Å; Y26-Y66 HydrophobicContact CE1-CG 4.3Å; Y26-P68 HydrophobicContact CD1-CB 3.79Å; Y26-P68 HydrophobicContact CD1-CG 4.49Å; Y26-P68 HydrophobicContact CE1-CB 4.48Å; Y26-P68 HydrophobicContact CG-CB 4.39Å; Y26-S131 VanDerWaalsContact CZ-CB 3.41Å; Y26-S131 VanDerWaalsContact OH-C 3.29Å; Y26-S131 WeakPolarHBondContact OH-CB 3.42Å; Y26-S131 PolarHBondContact OH-O 2.94Å; Y26-Q135 VanDerWaalsContact OH-CG 3.24Å; Y26-Q135 WeakPolarHBondContact OH-CG 3.1Å; Y26-S144 WeakPolarHBondContact CE2-OG 3.14Å; Y26-I145 PolarHBondContact N-O 2.92Å
27Y98.5Very high91.9Very high17 Ų1748.4 Ų48.47%0.06725%0.253CS..  trans-144.5125.5173.8176.2-107.1000110.5P29 V31 V47 H51 Y66 Q67Y27-P29 HydrophobicContact CE1-CB 4.36Å; Y27-P29 HydrophobicContact CE1-CG 4.19Å; Y27-V31 HydrophobicContact CE2-CG1 4.18Å; Y27-V47 HydrophobicContact CD2-CG1 4.43Å; Y27-V47 HydrophobicContact CE2-CG1 4.49Å; Y27-H51 AromaticContact CD1-CD2 3.72Å; Y27-H51 AromaticContact CD1-CE1 3.34Å; Y27-H51 WeakPolarHBondContact CD1-CE1 3.43Å; Y27-H51 AromaticContact CD1-CG 3.77Å; Y27-H51 AromaticContact CD1-ND1 3.54Å; Y27-H51 AromaticContact CD1-NE2 3.46Å; Y27-H51 WeakPolarHBondContact CD1-NE2 3.38Å; Y27-H51 HydrophobicContact CD2-CB 3.7Å; Y27-H51 AromaticContact CD2-CG 3.59Å; Y27-H51 AromaticContact CD2-ND1 3.57Å; Y27-H51 AromaticContact CE1-CD2 3.45Å; Y27-H51 VanDerWaalsContact CE1-CD2 3.45Å; Y27-H51 WeakPolarHBondContact CE1-CD2 3.48Å; Y27-H51 AromaticContact CE1-CE1 3.91Å; Y27-H51 AromaticContact CE1-CG 3.78Å; Y27-H51 AromaticContact CE1-NE2 3.55Å; Y27-H51 HydrophobicContact CE2-CB 3.51Å; Y27-H51 AromaticContact CE2-CG 3.61Å; Y27-H51 HydrophobicContact CG-CB 4.29Å; Y27-H51 AromaticContact CG-CE1 3.52Å; Y27-H51 AromaticContact CG-CG 3.66Å; Y27-H51 AromaticContact CG-ND1 3.26Å; Y27-H51 VanDerWaalsContact CG-ND1 3.26Å; Y27-H51 AromaticContact CZ-CD2 3.63Å; Y27-H51 AromaticContact CZ-CG 3.69Å; Y27-Y66 PolarHBondContact N-O 3.47Å; Y27-Q67 WeakPolarHBondContact O-CA 3.44Å
28D98Very high93.1Very high7 Ų756.2 Ų56.24%0.03728%0.284CS..  trans-104.2124.7169.1-170.1-72000109.6D30 V31 Q67 P68 I124D28-D30 PolarHBondContact O-N 3.41Å; D28-D30 WeakPolarHBondContact OD1-CA 3.35Å; D28-D30 WeakPolarHBondContact OD1-CB 3.38Å; D28-D30 PolarHBondContact OD1-N 3.32Å; D28-V31 WeakPolarHBondContact O-CG1 3.29Å; D28-V31 PolarHBondContact O-N 2.67Å; D28-Q67 PolarHBondContact OD2-NE2 3.41Å; D28-P68 HydrophobicContact CB-CG 4.2Å; D28-I124 HydrophobicContact CB-CD1 4.49Å; D28-I124 HydrophobicContact CB-CG1 4.35Å; D28-I124 HydrophobicContact CB-CG2 3.57Å
29P97.1Very high94.8Very high53 Ų5353.2 Ų53.234%0.34426%0.264SS..G310 helixtrans-57.8-27.3-179.6-26.635.6000115.1Y27 R48Y27-P29 HydrophobicContact CE1-CB 4.36Å; Y27-P29 HydrophobicContact CE1-CG 4.19Å; P29-R48 PolarHBondContact O-NH2 3.06Å
30D97.4Very high96.1Very high76 Ų7651.1 Ų51.141%0.40625%0.248SC..G310 helixtrans-81.1-19-176.5-72.3-33.3000113.4D28 G32 N33 Y34 I124D28-D30 PolarHBondContact O-N 3.41Å; D28-D30 WeakPolarHBondContact OD1-CA 3.35Å; D28-D30 WeakPolarHBondContact OD1-CB 3.38Å; D28-D30 PolarHBondContact OD1-N 3.32Å; D30-G32 PolarHBondContact O-N 3.39Å; D30-N33 VanDerWaalsContact O-CB 3.32Å; D30-N33 WeakPolarHBondContact O-CB 3.39Å; D30-N33 PolarHBondContact O-N 3.1Å; D30-N33 PolarHBondContact OD1-ND2 3.31Å; D30-Y34 HydrophobicContact CB-CE2 4.43Å; D30-Y34 WeakPolarHBondContact O-CD2 3.29Å; D30-Y34 WeakPolarHBondContact O-CE2 3.23Å; D30-I124 HydrophobicContact CB-CD1 4.22Å
31V97.5Very high96.8Very high1 Ų143.2 Ų43.21%0.00622%0.22CC..G310 helixtrans-53.1-33.5-177.574.90000113Y27 D28 N33 P44 V47 F121 I124 A148Y27-V31 HydrophobicContact CE2-CG1 4.18Å; D28-V31 WeakPolarHBondContact O-CG1 3.29Å; D28-V31 PolarHBondContact O-N 2.67Å; V31-N33 VanDerWaalsContact C-N 3.31Å; V31-N33 PolarHBondContact O-N 3.27Å; V31-P44 WeakPolarHBondContact O-CB 3.43Å; V31-V47 HydrophobicContact CG1-CB 3.87Å; V31-V47 HydrophobicContact CG1-CG1 3.67Å; V31-V47 HydrophobicContact CG2-CG2 4.4Å; V31-F121 HydrophobicContact CG2-CE2 4.25Å; V31-I124 HydrophobicContact CB-CG2 4.17Å; V31-I124 HydrophobicContact CG2-CG2 4.23Å; V31-A148 HydrophobicContact CG2-CB 3.78Å
32G96.3Very high97.1Very high6 Ų641.9 Ų41.96%0.06222%0.215CC..G310 helixtrans-79.2-6.2-179.700000115.2D30D30-G32 PolarHBondContact O-N 3.39Å
33N97.2Very high97.1Very high97 Ų9738.5 Ų38.552%0.51920%0.204SC..G310 helixtrans-89-19.6-178.3-65.9-28.9000113.1D30 V31 R48D30-N33 VanDerWaalsContact O-CB 3.32Å; D30-N33 WeakPolarHBondContact O-CB 3.39Å; D30-N33 PolarHBondContact O-N 3.1Å; D30-N33 PolarHBondContact OD1-ND2 3.31Å; V31-N33 VanDerWaalsContact C-N 3.31Å; V31-N33 PolarHBondContact O-N 3.27Å; N33-R48 PolarHBondContact ND2-NH2 3.13Å; N33-R48 PolarHBondContact OD1-NH1 3.27Å; N33-R48 VanDerWaalsContact OD1-NH1 3.11Å; N33-R48 PolarHBondContact OD1-NH2 3.25Å
34Y97.6Very high97.1Very high28 Ų2838.4 Ų38.411%0.1120%0.204CC..  trans-73141-178-59.7-78.7000112.3D30 P44 F115 G117 D120 F121 I124D30-Y34 HydrophobicContact CB-CE2 4.43Å; D30-Y34 WeakPolarHBondContact O-CD2 3.29Å; D30-Y34 WeakPolarHBondContact O-CE2 3.23Å; Y34-P44 WeakPolarHBondContact O-CD 3.46Å; Y34-P44 WeakPolarHBondContact O-CG 3.4Å; Y34-F115 HydrophobicContact CD1-CD2 4.44Å; Y34-F115 AromaticContact CD1-CE2 3.96Å; Y34-F115 HydrophobicContact CD1-CE2 3.96Å; Y34-F115 HydrophobicContact CG-CE2 4.36Å; Y34-G117 WeakPolarHBondContact CE1-O 3.3Å; Y34-D120 HydrophobicContact CE1-CB 4.27Å; Y34-D120 WeakPolarHBondContact OH-CB 3.29Å; Y34-F121 HydrophobicContact CD1-CB 3.74Å; Y34-F121 HydrophobicContact CD1-CG 4.47Å; Y34-F121 HydrophobicContact CD2-CB 3.94Å; Y34-F121 AromaticContact CD2-CD2 3.48Å; Y34-F121 HydrophobicContact CD2-CD2 3.48Å; Y34-F121 VanDerWaalsContact CD2-CD2 3.48Å; Y34-F121 HydrophobicContact CD2-CE2 4.43Å; Y34-F121 HydrophobicContact CD2-CG 4.12Å; Y34-F121 HydrophobicContact CE1-CB 3.84Å; Y34-F121 HydrophobicContact CE2-CB 4.05Å; Y34-F121 HydrophobicContact CE2-CD2 4.09Å; Y34-F121 HydrophobicContact CG-CB 3.77Å; Y34-F121 AromaticContact CG-CD2 3.75Å; Y34-F121 HydrophobicContact CG-CD2 3.75Å; Y34-F121 HydrophobicContact CG-CG 4.04Å; Y34-I124 HydrophobicContact CE2-CD1 3.68Å; Y34-I124 WeakPolarHBondContact OH-CD1 3.31Å
35Y96.5Very high97Very high130 Ų13040.4 Ų40.451%0.5121%0.212SC..  trans-136111.5-170.8177.7-118.4000111.4G37 K38 F115Y35-G37 VanDerWaalsContact CE2-O 3.27Å; Y35-G37 WeakPolarHBondContact CE2-O 3.28Å; Y35-G37 VanDerWaalsContact CZ-O 3.26Å; Y35-G37 PolarHBondContact O-N 3.49Å; Y35-G37 VanDerWaalsContact O-N 3.1Å; Y35-G37 VanDerWaalsContact OH-C 3.29Å; Y35-G37 PolarHBondContact OH-O 2.98Å; Y35-K38 WeakPolarHBondContact OH-CA 3.16Å; Y35-K38 PolarHBondContact OH-N 3.24Å; Y35-K38 VanDerWaalsContact OH-N 3.16Å; Y35-F115 WeakPolarHBondContact O-CB 3.25Å
36Y96.4Very high97Very high6 Ų640.9 Ų40.92%0.02421%0.214CC..  trans-68.6-4.3178.6-81.6-123.5000113.6H40 M42 P44 P113 F115 F121 F162 Y164Y36-H40 WeakPolarHBondContact CB-ND1 3.24Å; Y36-H40 AromaticContact CD1-CE1 3.32Å; Y36-H40 WeakPolarHBondContact CD1-CE1 3.32Å; Y36-H40 AromaticContact CD1-ND1 3.6Å; Y36-H40 AromaticContact CD1-NE2 3.78Å; Y36-H40 AromaticContact CG-CE1 3.99Å; Y36-H40 AromaticContact CG-ND1 3.78Å; Y36-M42 HydrophobicContact CD1-CB 3.99Å; Y36-M42 HydrophobicContact CD1-CG 4.25Å; Y36-M42 HydrophobicContact CD2-CB 4.33Å; Y36-M42 HydrophobicContact CD2-CG 4.01Å; Y36-M42 HydrophobicContact CE1-CB 4.08Å; Y36-M42 HydrophobicContact CE1-CG 3.96Å; Y36-M42 HydrophobicContact CE2-CB 4.44Å; Y36-M42 HydrophobicContact CE2-CG 3.72Å; Y36-M42 HydrophobicContact CG-CB 4.1Å; Y36-M42 HydrophobicContact CG-CG 4.26Å; Y36-P44 HydrophobicContact CD2-CG 4.05Å; Y36-P44 HydrophobicContact CE2-CG 3.87Å; Y36-P113 HydrophobicContact CD1-CG 4.14Å; Y36-P113 WeakPolarHBondContact O-CG 3.19Å; Y36-F115 HydrophobicContact CD1-CE1 4.42Å; Y36-F115 HydrophobicContact CD2-CD1 4.43Å; Y36-F115 AromaticContact CD2-CE1 3.81Å; Y36-F115 HydrophobicContact CD2-CE1 3.81Å; Y36-F115 HydrophobicContact CD2-CZ 4.2Å; Y36-F115 HydrophobicContact CE1-CE1 4.46Å; Y36-F115 AromaticContact CE2-CE1 3.83Å; Y36-F115 HydrophobicContact CE2-CE1 3.83Å; Y36-F115 AromaticContact CE2-CZ 3.95Å; Y36-F115 HydrophobicContact CE2-CZ 3.95Å; Y36-F115 HydrophobicContact CG-CD1 4.49Å; Y36-F115 HydrophobicContact CG-CE1 4.12Å; Y36-F121 HydrophobicContact CE2-CE1 4.04Å; Y36-F121 HydrophobicContact CE2-CZ 4.24Å; Y36-F121 WeakPolarHBondContact OH-CE1 3.49Å; Y36-F162 HydrophobicContact CE1-CB 3.92Å; Y36-F162 WeakPolarHBondContact CE1-O 3.44Å; Y36-F162 PolarHBondContact OH-O 2.95Å; Y36-Y164 AromaticContact CE1-CE2 3.74Å; Y36-Y164 HydrophobicContact CE1-CE2 3.74Å; Y36-Y164 AromaticContact CZ-CE2 3.72Å
37G94.5Very high97Very high21 Ų2141 Ų4122%0.21622%0.216CC..  trans108.6174.1-178.200000114.3Y35 H40 K43Y35-G37 VanDerWaalsContact CE2-O 3.27Å; Y35-G37 WeakPolarHBondContact CE2-O 3.28Å; Y35-G37 VanDerWaalsContact CZ-O 3.26Å; Y35-G37 PolarHBondContact O-N 3.49Å; Y35-G37 VanDerWaalsContact O-N 3.1Å; Y35-G37 VanDerWaalsContact OH-C 3.29Å; Y35-G37 PolarHBondContact OH-O 2.98Å; G37-H40 PolarHBondContact O-N 3.35Å; G37-K43 PolarHBondContact O-NZ 2.72Å
38K94.4Very high97Very high200 Ų20042 Ų4287%0.8722%0.219SC*.THydrogen-bonded Turntrans-69.5131.1-172.2-170-178.9178.9-178.10110.6Y35 H40Y35-K38 WeakPolarHBondContact OH-CA 3.16Å; Y35-K38 PolarHBondContact OH-N 3.24Å; Y35-K38 VanDerWaalsContact OH-N 3.16Å; K38-H40 PolarHBondContact O-N 3.23Å; K38-H40 VanDerWaalsContact O-N 3.12Å
39G94.1Very high97Very high54 Ų5441.7 Ų41.756%0.55722%0.217SC*.THydrogen-bonded Turntrans78-19.4179.100000115.2R282G39-R282 PolarHBondContact O-NH1 3.19Å; G39-R282 PolarHBondContact O-NH2 3.07Å
40H97.4Very high97.1Very high14 Ų1439.2 Ų39.27%0.06520%0.201CC..  trans-56.8132.5-179.6-165.5-80.4000111.4Y36 G37 K38 M42 K43 D111 F162Y36-H40 WeakPolarHBondContact CB-ND1 3.24Å; Y36-H40 AromaticContact CD1-CE1 3.32Å; Y36-H40 WeakPolarHBondContact CD1-CE1 3.32Å; Y36-H40 AromaticContact CD1-ND1 3.6Å; Y36-H40 AromaticContact CD1-NE2 3.78Å; Y36-H40 AromaticContact CG-CE1 3.99Å; Y36-H40 AromaticContact CG-ND1 3.78Å; G37-H40 PolarHBondContact O-N 3.35Å; K38-H40 PolarHBondContact O-N 3.23Å; K38-H40 VanDerWaalsContact O-N 3.12Å; H40-M42 VanDerWaalsContact CE1-CB 3.43Å; H40-M42 WeakPolarHBondContact CE1-CB 3.35Å; H40-M42 WeakPolarHBondContact ND1-CB 3.32Å; H40-M42 PolarHBondContact ND1-N 3.44Å; H40-K43 WeakPolarHBondContact O-CE 3.36Å; H40-K43 PolarHBondContact O-NZ 2.85Å; H40-D111 PolarHBondContact NE2-O 3.04Å; H40-D111 VanDerWaalsContact NE2-O 3.1Å; H40-F162 AromaticContact CE1-CD1 3.37Å; H40-F162 WeakPolarHBondContact CE1-CD1 3.48Å; H40-F162 AromaticContact CE1-CE1 3.56Å; H40-F162 AromaticContact CE1-CG 3.79Å; H40-F162 AromaticContact NE2-CD1 3.39Å; H40-F162 WeakPolarHBondContact NE2-CD1 3.44Å; H40-F162 AromaticContact NE2-CE1 3.41Å; H40-F162 WeakPolarHBondContact NE2-CE1 3.28Å
41P97Very high97.1Very high18 Ų1835.8 Ų35.812%0.11718%0.183CC..SBendtrans-70.4-34.8-174.426.6-34.5000113.5K43 F162 L283 Y315P41-K43 PolarHBondContact O-N 3.1Å; P41-F162 HydrophobicContact CG-CE1 4.27Å; P41-F162 HydrophobicContact CG-CE2 3.91Å; P41-F162 HydrophobicContact CG-CZ 3.52Å; P41-L283 HydrophobicContact CB-CD1 3.94Å; P41-L283 HydrophobicContact CB-CG 4.38Å; P41-L283 HydrophobicContact CG-CD1 3.78Å; P41-Y315 HydrophobicContact CB-CD1 3.95Å; P41-Y315 HydrophobicContact CB-CG 4.22Å; P41-Y315 HydrophobicContact CG-CD1 4.49Å
42M97.7Very high97.2Very high6 Ų637.2 Ų37.23%0.0319%0.189CC..  trans-65124.3175.7-174.657.779.800111.2Y36 H40 R46 F162 Y315Y36-M42 HydrophobicContact CD1-CB 3.99Å; Y36-M42 HydrophobicContact CD1-CG 4.25Å; Y36-M42 HydrophobicContact CD2-CB 4.33Å; Y36-M42 HydrophobicContact CD2-CG 4.01Å; Y36-M42 HydrophobicContact CE1-CB 4.08Å; Y36-M42 HydrophobicContact CE1-CG 3.96Å; Y36-M42 HydrophobicContact CE2-CB 4.44Å; Y36-M42 HydrophobicContact CE2-CG 3.72Å; Y36-M42 HydrophobicContact CG-CB 4.1Å; Y36-M42 HydrophobicContact CG-CG 4.26Å; H40-M42 VanDerWaalsContact CE1-CB 3.43Å; H40-M42 WeakPolarHBondContact CE1-CB 3.35Å; H40-M42 WeakPolarHBondContact ND1-CB 3.32Å; H40-M42 PolarHBondContact ND1-N 3.44Å; M42-R46 PolarHBondContact SD-NH2 2.85Å; M42-F162 HydrophobicContact CB-CB 4.43Å; M42-F162 HydrophobicContact CB-CD2 4.36Å; M42-F162 HydrophobicContact CB-CG 4.4Å; M42-F162 HydrophobicContact CE-CB 4Å; M42-F162 HydrophobicContact CE-CD2 4.07Å; M42-F162 HydrophobicContact CE-CG 4.48Å; M42-Y315 HydrophobicContact CE-CE1 3.87Å
43K97.6Very high97.3Very high56 Ų5637 Ų3724%0.24319%0.186CC..  trans-129.993.8176.7-60.3-60.9172.6-147.80110G37 H40 P41 H45 R46 P317G37-K43 PolarHBondContact O-NZ 2.72Å; H40-K43 WeakPolarHBondContact O-CE 3.36Å; H40-K43 PolarHBondContact O-NZ 2.85Å; P41-K43 PolarHBondContact O-N 3.1Å; K43-H45 PolarHBondContact O-N 3.28Å; K43-R46 WeakPolarHBondContact O-CB 3.47Å; K43-R46 VanDerWaalsContact O-CD 3.3Å; K43-R46 WeakPolarHBondContact O-CD 3.41Å; K43-R46 WeakPolarHBondContact O-CG 3.36Å; K43-R46 PolarHBondContact O-N 3.29Å; K43-P317 HydrophobicContact CB-CG 3.97Å; K43-P317 HydrophobicContact CG-CG 4.16Å
44P97.8Very high97.3Very high6 Ų632.3 Ų32.34%0.03916%0.162CC..THydrogen-bonded Turntrans-51.9-26.7176.6-30.338000114.2V31 Y34 Y36 R46 V47 F121V31-P44 WeakPolarHBondContact O-CB 3.43Å; Y34-P44 WeakPolarHBondContact O-CD 3.46Å; Y34-P44 WeakPolarHBondContact O-CG 3.4Å; Y36-P44 HydrophobicContact CD2-CG 4.05Å; Y36-P44 HydrophobicContact CE2-CG 3.87Å; P44-R46 PolarHBondContact O-N 3.01Å; P44-V47 WeakPolarHBondContact O-CB 3.39Å; P44-V47 PolarHBondContact O-N 3.37Å; P44-F121 HydrophobicContact CB-CE2 4.04Å; P44-F121 HydrophobicContact CG-CE2 4Å; P44-F121 HydrophobicContact CG-CZ 4.18Å
45H97.8Very high97.3Very high48 Ų4832.7 Ų32.722%0.22217%0.165CC..Hα-helixtrans-46.5-28.5169-167.271.5000114.8K43 V47 R48 M49 Y345K43-H45 PolarHBondContact O-N 3.28Å; H45-V47 PolarHBondContact O-N 3.01Å; H45-R48 WeakPolarHBondContact O-CB 3.42Å; H45-R48 PolarHBondContact O-N 2.92Å; H45-R48 VanDerWaalsContact O-N 3.07Å; H45-M49 PolarHBondContact O-N 3.18Å; H45-M49 VanDerWaalsContact O-N 3.07Å; H45-Y345 AromaticContact CE1-CE1 3.48Å; H45-Y345 VanDerWaalsContact CE1-CE1 3.48Å; H45-Y345 WeakPolarHBondContact CE1-CE1 3.37Å; H45-Y345 AromaticContact CE1-CZ 3.73Å; H45-Y345 AromaticContact NE2-CD1 3.76Å; H45-Y345 AromaticContact NE2-CE1 3.23Å; H45-Y345 WeakPolarHBondContact NE2-CE1 3.13Å; H45-Y345 AromaticContact NE2-CZ 3.79Å
46R98.1Very high97.4Very high11 Ų1130 Ų304%0.04216%0.16CC..Hα-helixtrans-56.8-31.4175.471.5-161.1173.2114.87.4113.5M42 K43 P44 M49 A50 G312 G313 G314 P317 V320 W324M42-R46 PolarHBondContact SD-NH2 2.85Å; K43-R46 WeakPolarHBondContact O-CB 3.47Å; K43-R46 VanDerWaalsContact O-CD 3.3Å; K43-R46 WeakPolarHBondContact O-CD 3.41Å; K43-R46 WeakPolarHBondContact O-CG 3.36Å; K43-R46 PolarHBondContact O-N 3.29Å; P44-R46 PolarHBondContact O-N 3.01Å; R46-M49 PolarHBondContact O-N 2.68Å; R46-A50 PolarHBondContact O-N 3.15Å; R46-G312 VanDerWaalsContact CZ-O 3.22Å; R46-G312 PolarHBondContact NH1-O 3.44Å; R46-G312 PolarHBondContact NH2-O 3.2Å; R46-G313 VanDerWaalsContact NH1-C 3.32Å; R46-G313 PolarHBondContact NH1-O 3.25Å; R46-G314 WeakPolarHBondContact CD-O 3.38Å; R46-G314 PolarHBondContact NH1-O 3.15Å; R46-G314 VanDerWaalsContact NH1-O 3.08Å; R46-P317 HydrophobicContact CB-CB 3.94Å; R46-V320 HydrophobicContact CB-CB 4.24Å; R46-V320 HydrophobicContact CB-CG1 4.14Å; R46-V320 HydrophobicContact CG-CG1 3.97Å; R46-W324 HydrophobicContact CG-CH2 4.42Å; R46-W324 HydrophobicContact CG-CZ3 4.16Å
47V98.5Very high97.4Very high7 Ų730.4 Ų30.44%0.04216%0.161CC..Hα-helixtrans-67.8-42.1176.2-177.80000110.5Y27 V31 P44 H45 A50 H51 W147 A148 W324Y27-V47 HydrophobicContact CD2-CG1 4.43Å; Y27-V47 HydrophobicContact CE2-CG1 4.49Å; V31-V47 HydrophobicContact CG1-CB 3.87Å; V31-V47 HydrophobicContact CG1-CG1 3.67Å; V31-V47 HydrophobicContact CG2-CG2 4.4Å; P44-V47 WeakPolarHBondContact O-CB 3.39Å; P44-V47 PolarHBondContact O-N 3.37Å; H45-V47 PolarHBondContact O-N 3.01Å; V47-A50 WeakPolarHBondContact O-CB 3.47Å; V47-A50 PolarHBondContact O-N 3.15Å; V47-H51 PolarHBondContact O-N 3.14Å; V47-W147 HydrophobicContact CG1-CB 4.42Å; V47-A148 HydrophobicContact CG1-CB 4.43Å; V47-W324 HydrophobicContact CG2-CH2 4.46Å; V47-W324 HydrophobicContact CG2-CZ3 3.85Å
48R98.1Very high97.5Very high38 Ų3829.9 Ų29.914%0.14316%0.156CC..Hα-helixtrans-63.9-42.4175.2-177.8177.6-63.1155.40.3111.5P29 N33 H45 A50 H51 H52 Y345P29-R48 PolarHBondContact O-NH2 3.06Å; N33-R48 PolarHBondContact ND2-NH2 3.13Å; N33-R48 PolarHBondContact OD1-NH1 3.27Å; N33-R48 VanDerWaalsContact OD1-NH1 3.11Å; N33-R48 PolarHBondContact OD1-NH2 3.25Å; H45-R48 WeakPolarHBondContact O-CB 3.42Å; H45-R48 PolarHBondContact O-N 2.92Å; H45-R48 VanDerWaalsContact O-N 3.07Å; R48-A50 VanDerWaalsContact C-N 3.35Å; R48-A50 PolarHBondContact O-N 2.83Å; R48-H51 WeakPolarHBondContact O-CB 3.26Å; R48-H51 PolarHBondContact O-N 3.39Å; R48-H52 PolarHBondContact O-CD2 3.34Å; R48-H52 VanDerWaalsContact O-CD2 3.29Å; R48-H52 PolarHBondContact O-N 2.95Å; R48-Y345 WeakPolarHBondContact CD-OH 3.37Å; R48-Y345 HydrophobicContact CG-CE2 4.07Å; R48-Y345 WeakPolarHBondContact CG-OH 3.44Å
49M98.4Very high97.6Very high0 Ų020.4 Ų20.40%012%0.115CC..Hα-helixtrans-60.6-43.7174.6-64.9174.568.900111.7H45 R46 H52 L53 P317 R318 A321 Y345 Y348 Y349H45-M49 PolarHBondContact O-N 3.18Å; H45-M49 VanDerWaalsContact O-N 3.07Å; R46-M49 PolarHBondContact O-N 2.68Å; M49-H52 PolarHBondContact O-N 3.36Å; M49-L53 PolarHBondContact O-N 3.12Å; M49-L53 VanDerWaalsContact O-N 3.14Å; M49-P317 HydrophobicContact SD-CB 3.88Å; M49-R318 HydrophobicContact CE-CB 4.31Å; M49-A321 HydrophobicContact CB-CB 3.65Å; M49-Y345 HydrophobicContact CB-CD2 4.34Å; M49-Y345 HydrophobicContact CG-CD1 4.22Å; M49-Y345 HydrophobicContact CG-CD2 4Å; M49-Y345 HydrophobicContact CG-CE2 4.36Å; M49-Y345 HydrophobicContact CG-CG 3.93Å; M49-Y348 HydrophobicContact CE-CD1 3.95Å; M49-Y348 HydrophobicContact CE-CG 3.9Å; M49-Y348 HydrophobicContact SD-CD1 4.48Å; M49-Y349 HydrophobicContact CE-CE1 4.41Å
50A98.6Very high97.7Very high0 Ų019.5 Ų19.50%010%0.095CC..Hα-helixtrans-60.2-45.817500000111.5R46 V47 R48 H52 L53 I54 A321 W324R46-A50 PolarHBondContact O-N 3.15Å; V47-A50 WeakPolarHBondContact O-CB 3.47Å; V47-A50 PolarHBondContact O-N 3.15Å; R48-A50 VanDerWaalsContact C-N 3.35Å; R48-A50 PolarHBondContact O-N 2.83Å; A50-H52 PolarHBondContact O-N 3.39Å; A50-L53 PolarHBondContact O-N 3.45Å; A50-I54 VanDerWaalsContact O-CG1 3.29Å; A50-I54 WeakPolarHBondContact O-CG1 3.41Å; A50-I54 PolarHBondContact O-N 2.84Å; A50-A321 HydrophobicContact CB-CB 4.33Å; A50-W324 HydrophobicContact CB-CB 4.16Å; A50-W324 HydrophobicContact CB-CE3 4.04Å
51H98.4Very high97.5Very high4 Ų423.3 Ų23.32%0.01911%0.109CC..Hα-helixtrans-57.5-45.3176.5-174.775.9000112.3Y25 Y27 V47 R48 L53 I54 L55Y25-H51 AromaticContact CE1-CE1 3.84Å; Y25-H51 AromaticContact CE1-ND1 3.33Å; Y25-H51 VanDerWaalsContact CE1-ND1 3.33Å; Y25-H51 WeakPolarHBondContact CE1-ND1 3.44Å; Y25-H51 AromaticContact CZ-ND1 3.63Å; Y25-H51 PolarHBondContact OH-ND1 3.26Å; Y27-H51 AromaticContact CD1-CD2 3.72Å; Y27-H51 AromaticContact CD1-CE1 3.34Å; Y27-H51 WeakPolarHBondContact CD1-CE1 3.43Å; Y27-H51 AromaticContact CD1-CG 3.77Å; Y27-H51 AromaticContact CD1-ND1 3.54Å; Y27-H51 AromaticContact CD1-NE2 3.46Å; Y27-H51 WeakPolarHBondContact CD1-NE2 3.38Å; Y27-H51 HydrophobicContact CD2-CB 3.7Å; Y27-H51 AromaticContact CD2-CG 3.59Å; Y27-H51 AromaticContact CD2-ND1 3.57Å; Y27-H51 AromaticContact CE1-CD2 3.45Å; Y27-H51 VanDerWaalsContact CE1-CD2 3.45Å; Y27-H51 WeakPolarHBondContact CE1-CD2 3.48Å; Y27-H51 AromaticContact CE1-CE1 3.91Å; Y27-H51 AromaticContact CE1-CG 3.78Å; Y27-H51 AromaticContact CE1-NE2 3.55Å; Y27-H51 HydrophobicContact CE2-CB 3.51Å; Y27-H51 AromaticContact CE2-CG 3.61Å; Y27-H51 HydrophobicContact CG-CB 4.29Å; Y27-H51 AromaticContact CG-CE1 3.52Å; Y27-H51 AromaticContact CG-CG 3.66Å; Y27-H51 AromaticContact CG-ND1 3.26Å; Y27-H51 VanDerWaalsContact CG-ND1 3.26Å; Y27-H51 AromaticContact CZ-CD2 3.63Å; Y27-H51 AromaticContact CZ-CG 3.69Å; V47-H51 PolarHBondContact O-N 3.14Å; R48-H51 WeakPolarHBondContact O-CB 3.26Å; R48-H51 PolarHBondContact O-N 3.39Å; H51-L53 VanDerWaalsContact C-N 3.35Å; H51-L53 PolarHBondContact O-N 2.81Å; H51-I54 WeakPolarHBondContact O-CB 3.26Å; H51-I54 PolarHBondContact O-N 3.49Å; H51-I54 VanDerWaalsContact O-N 3.15Å; H51-L55 WeakPolarHBondContact NE2-CD1 3.48Å; H51-L55 WeakPolarHBondContact O-CG 3.28Å; H51-L55 PolarHBondContact O-N 3.41Å
52H98Very high97.4Very high32 Ų3223.7 Ų23.715%0.14811%0.109CC..Hα-helixtrans-63-38.6177.4-86.1-116.6000112.6R48 M49 A50 L55 N56 D344 Y345R48-H52 PolarHBondContact O-CD2 3.34Å; R48-H52 VanDerWaalsContact O-CD2 3.29Å; R48-H52 PolarHBondContact O-N 2.95Å; M49-H52 PolarHBondContact O-N 3.36Å; A50-H52 PolarHBondContact O-N 3.39Å; H52-L55 PolarHBondContact O-N 3.08Å; H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 2.99Å; H52-N56 PolarHBondContact O-ND2 2.94Å; H52-D344 IonicContact CE1-OD2 3.18Å; H52-D344 PolarHBondContact CE1-OD2 3.48Å; H52-D344 IonicContact ND1-OD2 3.65Å; H52-Y345 HydrophobicContact CB-CD2 3.91Å; H52-Y345 HydrophobicContact CB-CE2 4.03Å; H52-Y345 AromaticContact CD2-CE2 3.67Å; H52-Y345 AromaticContact CG-CD2 3.92Å; H52-Y345 AromaticContact CG-CE2 3.58Å; H52-Y345 AromaticContact ND1-CE2 3.85Å; H52-Y345 AromaticContact NE2-CE2 3.97Å
53L98.3Very high97.4Very high0 Ų024.3 Ų24.30%011%0.112CC..Hα-helixtrans-63.1-45.8172.2-71.4-179.1000111.1M49 A50 H51 L55 N56 Y57 A321 A325 L340 Y349M49-L53 PolarHBondContact O-N 3.12Å; M49-L53 VanDerWaalsContact O-N 3.14Å; A50-L53 PolarHBondContact O-N 3.45Å; H51-L53 VanDerWaalsContact C-N 3.35Å; H51-L53 PolarHBondContact O-N 2.81Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.39Å; L53-N56 PolarHBondContact O-N 2.97Å; L53-Y57 HydrophobicContact CB-CD2 4.37Å; L53-Y57 HydrophobicContact CB-CE2 4.44Å; L53-Y57 HydrophobicContact CD2-CE2 4.48Å; L53-Y57 WeakPolarHBondContact O-CB 3.37Å; L53-Y57 WeakPolarHBondContact O-CD2 3.42Å; L53-Y57 PolarHBondContact O-N 3.36Å; L53-A321 HydrophobicContact CD1-CB 4.03Å; L53-A325 HydrophobicContact CB-CB 3.68Å; L53-A325 HydrophobicContact CD1-CB 4.08Å; L53-L340 HydrophobicContact CD1-CD2 4.42Å; L53-L340 HydrophobicContact CD2-CD2 4.02Å; L53-Y349 HydrophobicContact CD1-CE1 4.17Å; L53-Y349 WeakPolarHBondContact CD1-OH 3.37Å; L53-Y349 HydrophobicContact CD2-CE2 4.31Å
54I98.3Very high97.4Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-55.5-46177.4-69.4163.9000111.4Y25 A50 H51 M59 M63 A325 T328Y25-I54 HydrophobicContact CE1-CD1 4.37Å; Y25-I54 HydrophobicContact CE1-CG2 4.45Å; Y25-I54 HydrophobicContact CE2-CD1 4.19Å; A50-I54 VanDerWaalsContact O-CG1 3.29Å; A50-I54 WeakPolarHBondContact O-CG1 3.41Å; A50-I54 PolarHBondContact O-N 2.84Å; H51-I54 WeakPolarHBondContact O-CB 3.26Å; H51-I54 PolarHBondContact O-N 3.49Å; H51-I54 VanDerWaalsContact O-N 3.15Å; I54-M59 HydrophobicContact CB-CE 4.22Å; I54-M59 HydrophobicContact CG1-CE 3.94Å; I54-M59 HydrophobicContact CG2-CB 4.12Å; I54-M59 PolarHBondContact O-N 3.29Å; I54-M59 VanDerWaalsContact O-N 3.12Å; I54-M63 HydrophobicContact CG2-CE 3.37Å; I54-A325 HydrophobicContact CG1-CB 4.32Å; I54-T328 HydrophobicContact CD1-CG2 4.28Å; I54-T328 WeakPolarHBondContact CD1-OG1 3.48Å; I54-T328 HydrophobicContact CG1-CG2 4.21Å; I54-T328 HydrophobicContact CG2-CG2 4.39Å
55L97.4Very high97.4Very high35 Ų3524.1 Ų24.118%0.18312%0.115CC..Hα-helixtrans-64-48.5177.3-68.9-173.9000112.2Y6 H51 H52 L53 Y57 G58 Y60Y6-L55 HydrophobicContact CE1-CD1 4.06Å; Y6-L55 HydrophobicContact CE1-CD2 4.04Å; Y6-L55 HydrophobicContact CE2-CD2 4.05Å; H51-L55 WeakPolarHBondContact NE2-CD1 3.48Å; H51-L55 WeakPolarHBondContact O-CG 3.28Å; H51-L55 PolarHBondContact O-N 3.41Å; H52-L55 PolarHBondContact O-N 3.08Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.39Å; L55-Y57 VanDerWaalsContact C-N 3.33Å; L55-Y57 PolarHBondContact O-N 3.45Å; L55-G58 WeakPolarHBondContact O-CA 3.27Å; L55-G58 PolarHBondContact O-N 3.01Å; L55-Y60 HydrophobicContact CD2-CD1 3.94Å; L55-Y60 HydrophobicContact CD2-CG 4.1Å
56N97.5Very high97.4Very high73 Ų7324.1 Ų24.139%0.3911%0.114SC..Hα-helixtrans-76.1-19.7-173.2-74.8-75000113.6H52 L53 P341 F342 N343H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 2.99Å; H52-N56 PolarHBondContact O-ND2 2.94Å; L53-N56 PolarHBondContact O-N 2.97Å; N56-P341 HydrophobicContact CB-CB 3.95Å; N56-P341 HydrophobicContact CB-CG 3.64Å; N56-F342 PolarHBondContact OD1-O 2.74Å; N56-N343 HydrophobicContact CB-CB 4.36Å; N56-N343 WeakPolarHBondContact ND2-CB 3.46Å
57Y97.7Very high97.3Very high15 Ų1527.2 Ų27.26%0.05913%0.128CC..THydrogen-bonded Turntrans-76.4-9.8164.3-82.2-65.9000113.2L53 L55 M59 I336 P337 L340 P341 L355L53-Y57 HydrophobicContact CB-CD2 4.37Å; L53-Y57 HydrophobicContact CB-CE2 4.44Å; L53-Y57 HydrophobicContact CD2-CE2 4.48Å; L53-Y57 WeakPolarHBondContact O-CB 3.37Å; L53-Y57 WeakPolarHBondContact O-CD2 3.42Å; L53-Y57 PolarHBondContact O-N 3.36Å; L55-Y57 VanDerWaalsContact C-N 3.33Å; L55-Y57 PolarHBondContact O-N 3.45Å; Y57-M59 VanDerWaalsContact C-N 3.31Å; Y57-M59 HydrophobicContact CD2-CE 4.13Å; Y57-M59 HydrophobicContact CG-CE 4.36Å; Y57-I336 HydrophobicContact CD1-CB 3.87Å; Y57-I336 HydrophobicContact CD1-CD1 4.38Å; Y57-I336 HydrophobicContact CD1-CG2 4.15Å; Y57-I336 HydrophobicContact CD2-CD1 4.21Å; Y57-I336 HydrophobicContact CE1-CB 4.03Å; Y57-I336 HydrophobicContact CE1-CD1 4.3Å; Y57-I336 HydrophobicContact CE2-CD1 4.14Å; Y57-I336 HydrophobicContact CG-CB 4.42Å; Y57-I336 HydrophobicContact CG-CD1 4.35Å; Y57-I336 HydrophobicContact CG-CG2 4.36Å; Y57-P337 WeakPolarHBondContact CE1-O 3.21Å; Y57-P337 PolarHBondContact OH-O 3.04Å; Y57-L340 HydrophobicContact CE2-CD2 4.32Å; Y57-L340 WeakPolarHBondContact OH-CD2 3.36Å; Y57-P341 HydrophobicContact CD1-CG 4.16Å; Y57-P341 HydrophobicContact CD2-CG 4.14Å; Y57-P341 HydrophobicContact CE1-CG 4.23Å; Y57-P341 HydrophobicContact CE2-CG 4.19Å; Y57-P341 HydrophobicContact CG-CG 4.11Å; Y57-L355 HydrophobicContact CE2-CD1 4.24Å
58G96.2Very high97Very high11 Ų1127.3 Ų27.311%0.11313%0.129CC..THydrogen-bonded Turntrans78.412-177.400000114.3L55 Y60 R61L55-G58 WeakPolarHBondContact O-CA 3.27Å; L55-G58 PolarHBondContact O-N 3.01Å; G58-Y60 VanDerWaalsContact C-N 3.27Å; G58-Y60 PolarHBondContact O-N 3.23Å; G58-R61 WeakPolarHBondContact O-CB 3.32Å; G58-R61 WeakPolarHBondContact O-CG 3.46Å; G58-R61 PolarHBondContact O-N 3.12Å
59M97.1Very high96.8Very high0 Ų028.6 Ų28.60%015%0.148CC..G310 helixtrans-66.8-26.7-173.7-74.9-170-70.900113.5L13 I54 Y57 R61 H62 A325 T328 S329 L332 I336L13-M59 HydrophobicContact CD1-CG 4.17Å; I54-M59 HydrophobicContact CB-CE 4.22Å; I54-M59 HydrophobicContact CG1-CE 3.94Å; I54-M59 HydrophobicContact CG2-CB 4.12Å; I54-M59 PolarHBondContact O-N 3.29Å; I54-M59 VanDerWaalsContact O-N 3.12Å; Y57-M59 VanDerWaalsContact C-N 3.31Å; Y57-M59 HydrophobicContact CD2-CE 4.13Å; Y57-M59 HydrophobicContact CG-CE 4.36Å; M59-R61 PolarHBondContact O-N 3.13Å; M59-H62 PolarHBondContact O-N 2.97Å; M59-A325 HydrophobicContact CE-CB 4.32Å; M59-A325 VanDerWaalsContact CE-O 3.24Å; M59-A325 WeakPolarHBondContact CE-O 3.41Å; M59-T328 HydrophobicContact CE-CG2 4.49Å; M59-T328 HydrophobicContact SD-CG2 4.3Å; M59-S329 VanDerWaalsContact SD-CA 3.57Å; M59-S329 WeakPolarHBondContact SD-CB 3.34Å; M59-L332 HydrophobicContact CB-CD1 3.62Å; M59-L332 HydrophobicContact CG-CD1 3.91Å; M59-L332 HydrophobicContact SD-CD1 4.09Å; M59-I336 HydrophobicContact CE-CD1 4.42Å; M59-I336 HydrophobicContact CG-CG2 4.26Å; M59-I336 HydrophobicContact SD-CD1 4.45Å; M59-I336 HydrophobicContact SD-CG2 4.02Å
60Y95.2Very high96.8Very high35 Ų3532.8 Ų32.814%0.13717%0.166CC..G310 helixtrans-55.5-23.2174.572.7-88000113.1Y6 L55 G58 H62Y6-Y60 AromaticContact CD2-CD2 3.93Å; Y6-Y60 HydrophobicContact CD2-CD2 3.93Å; Y6-Y60 HydrophobicContact CD2-CE2 4.34Å; Y6-Y60 HydrophobicContact CD2-CG 4.43Å; Y6-Y60 HydrophobicContact CG-CD2 4.04Å; Y6-Y60 AromaticContact CG-CE2 3.99Å; Y6-Y60 HydrophobicContact CG-CE2 3.99Å; L55-Y60 HydrophobicContact CD2-CD1 3.94Å; L55-Y60 HydrophobicContact CD2-CG 4.1Å; G58-Y60 VanDerWaalsContact C-N 3.27Å; G58-Y60 PolarHBondContact O-N 3.23Å; Y60-H62 PolarHBondContact O-N 3.05Å
61R94Very high96.8Very high95 Ų9532.9 Ų32.936%0.35817%0.167SC..G310 helixtrans-72.8-12.7178.4-59.7176.2177.71740.2113.6G8 N10 G58 M59G8-R61 PolarHBondContact O-NE 3.13Å; G8-R61 VanDerWaalsContact O-NE 3.13Å; G8-R61 PolarHBondContact O-NH2 2.65Å; N10-R61 PolarHBondContact O-NH1 2.76Å; G58-R61 WeakPolarHBondContact O-CB 3.32Å; G58-R61 WeakPolarHBondContact O-CG 3.46Å; G58-R61 PolarHBondContact O-N 3.12Å; M59-R61 PolarHBondContact O-N 3.13Å
62H94.9Very high96.8Very high26 Ų2634.8 Ų34.812%0.1218%0.181CC..G310 helixtrans-108.52.1-176.7-57.4-86.6000113.2D11 M59 Y60 L332D11-H62 IonicContact OD1-CE1 3.56Å; D11-H62 IonicContact OD1-NE2 3.81Å; M59-H62 PolarHBondContact O-N 2.97Å; Y60-H62 PolarHBondContact O-N 3.05Å; H62-L332 HydrophobicContact CB-CD1 4.28Å; H62-L332 HydrophobicContact CB-CD2 3.72Å; H62-L332 HydrophobicContact CB-CG 4.45Å; H62-L332 WeakPolarHBondContact O-CD2 3.2Å
63M97Very high96.8Very high18 Ų1834.4 Ų34.49%0.08918%0.183CC..SBendtrans-143.7169.4-179.858.5-170.5-174.600110.7I23 Y25 I54 V65 T328 L332I23-M63 HydrophobicContact CB-CB 3.95Å; I23-M63 HydrophobicContact CG2-CB 3.98Å; I23-M63 HydrophobicContact CG2-SD 4.48Å; I23-M63 WeakPolarHBondContact O-CA 3.43Å; I23-M63 WeakPolarHBondContact O-CB 3.38Å; Y25-M63 VanDerWaalsContact CB-SD 3.51Å; Y25-M63 HydrophobicContact CD1-CE 3.45Å; Y25-M63 VanDerWaalsContact CD1-CE 3.45Å; Y25-M63 HydrophobicContact CD1-SD 4.37Å; Y25-M63 HydrophobicContact CE1-CE 4.23Å; Y25-M63 HydrophobicContact CG-CE 3.75Å; Y25-M63 HydrophobicContact CG-SD 4.11Å; I54-M63 HydrophobicContact CG2-CE 3.37Å; M63-V65 HydrophobicContact CE-CG2 4.22Å; M63-V65 HydrophobicContact CG-CG2 4.38Å; M63-T328 HydrophobicContact CE-CG2 4.12Å; M63-T328 HydrophobicContact SD-CG2 4.04Å; M63-L332 HydrophobicContact CB-CD2 3.81Å; M63-L332 HydrophobicContact CG-CD2 4.26Å; M63-L332 HydrophobicContact SD-CD1 4.37Å; M63-L332 HydrophobicContact SD-CD2 4.25Å
64V97.3Very high96.8Very high50 Ų5039.9 Ų39.930%0.30322%0.217SC..EExtended strand (participates in β ladder)trans-97.5130170.3-173.20000108.5I23 V24 Y25 Y66I23-V64 PolarHBondContact O-N 3.3Å; V24-V64 WeakPolarHBondContact CA-O 3.45Å; V24-V64 HydrophobicContact CG2-CB 4.48Å; Y25-V64 PolarHBondContact N-O 3.14Å; V64-Y66 HydrophobicContact CB-CE2 4.28Å; V64-Y66 HydrophobicContact CG1-CD1 4.45Å; V64-Y66 HydrophobicContact CG1-CD2 4.26Å; V64-Y66 HydrophobicContact CG1-CE1 3.89Å; V64-Y66 HydrophobicContact CG1-CE2 3.64Å; V64-Y66 VanDerWaalsContact CG1-CZ 3.44Å
65V98Very high96.9Very high8 Ų842.9 Ų42.95%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-105122.1179.8-170.80000109.4L4 Y25 M63L4-V65 HydrophobicContact CD1-CG1 3.91Å; L4-V65 PolarHBondContact N-O 3.16Å; Y25-V65 HydrophobicContact CD1-CB 4.44Å; Y25-V65 HydrophobicContact CD1-CG1 3.78Å; Y25-V65 HydrophobicContact CD1-CG2 4.02Å; Y25-V65 HydrophobicContact CE1-CG1 4.21Å; Y25-V65 WeakPolarHBondContact O-CA 3.48Å; M63-V65 HydrophobicContact CE-CG2 4.22Å; M63-V65 HydrophobicContact CG-CG2 4.38Å
66Y97.9Very high96.9Very high48 Ų4841.2 Ų41.219%0.18822%0.222CC..EExtended strand (participates in β ladder)trans-117147.1176.1-68.5-58.7000111.2M1 V24 Y25 Y26 Y27 V64M1-Y66 HydrophobicContact CB-CD1 3.97Å; M1-Y66 HydrophobicContact CB-CE1 4.27Å; M1-Y66 HydrophobicContact CB-CG 4.47Å; M1-Y66 HydrophobicContact SD-CD2 4.17Å; M1-Y66 HydrophobicContact SD-CG 4.17Å; V24-Y66 HydrophobicContact CG1-CD2 3.53Å; V24-Y66 HydrophobicContact CG1-CE2 3.98Å; V24-Y66 HydrophobicContact CG2-CE2 4.15Å; Y25-Y66 PolarHBondContact O-N 3.36Å; Y26-Y66 WeakPolarHBondContact CA-O 3.39Å; Y26-Y66 HydrophobicContact CE1-CD2 4.16Å; Y26-Y66 HydrophobicContact CE1-CG 4.3Å; Y27-Y66 PolarHBondContact N-O 3.47Å; V64-Y66 HydrophobicContact CB-CE2 4.28Å; V64-Y66 HydrophobicContact CG1-CD1 4.45Å; V64-Y66 HydrophobicContact CG1-CD2 4.26Å; V64-Y66 HydrophobicContact CG1-CE1 3.89Å; V64-Y66 HydrophobicContact CG1-CE2 3.64Å; V64-Y66 VanDerWaalsContact CG1-CZ 3.44Å
67Q97.4Very high97Very high76 Ų7640.1 Ų40.136%0.35522%0.218SC..PPolyproline II helixtrans-81.5124.8156.5-173.4172.5-2.800108.8Y27 D28Y27-Q67 WeakPolarHBondContact O-CA 3.44Å; D28-Q67 PolarHBondContact OD2-NE2 3.41Å
68P91.1Very high97Very high9 Ų944.8 Ų44.86%0.05824%0.238CC..PPolyproline II helixtrans-69.9147.9-179.129.9-34.8000111.4Y26 D28Y26-P68 HydrophobicContact CD1-CB 3.79Å; Y26-P68 HydrophobicContact CD1-CG 4.49Å; Y26-P68 HydrophobicContact CE1-CB 4.48Å; Y26-P68 HydrophobicContact CG-CB 4.39Å; D28-P68 HydrophobicContact CB-CG 4.2Å
69A94.3Very high97.1Very high65 Ų6545.3 Ų45.354%0.53724%0.237SC..PPolyproline II helixtrans-68.6136.7164.200000108.7A71 G127A69-A71 PolarHBondContact O-N 3.13Å; A69-G127 WeakPolarHBondContact O-CA 3.4Å
70K98.2Very high97.2Very high89 Ų8945.4 Ų45.439%0.38724%0.238SC..PPolyproline II helixtrans-60.4129.3172.3-77.4-173.8178.2-177.30109.5S72 D120 Q123 I124K70-S72 PolarHBondContact O-N 3.3Å; K70-D120 IonicContact NZ-OD1 2.64Å; K70-D120 PolarHBondContact NZ-OD1 3.31Å; K70-Q123 HydrophobicContact CB-CB 3.92Å; K70-Q123 HydrophobicContact CD-CB 4.42Å; K70-Q123 HydrophobicContact CG-CB 4.19Å; K70-I124 HydrophobicContact CG-CG1 4.32Å
71A98.6Very high97.4Very high1 Ų145.5 Ų45.51%0.00824%0.242CC..PPolyproline II helixtrans-60.6132.7174.200000110.3A69 I76 Q123 A126 L130A69-A71 PolarHBondContact O-N 3.13Å; A71-I76 HydrophobicContact CB-CD1 4.29Å; A71-I76 HydrophobicContact CB-CG1 4.06Å; A71-Q123 PolarHBondContact N-O 3.37Å; A71-Q123 WeakPolarHBondContact O-CG 3.44Å; A71-Q123 PolarHBondContact O-NE2 3.49Å; A71-A126 HydrophobicContact CB-CB 3.73Å; A71-L130 HydrophobicContact CB-CD1 3.94Å
72S98.5Very high97.6Very high44 Ų4446.9 Ų46.931%0.30825%0.252SS..PPolyproline II helixtrans-70.4158.6173.464.70000111.4K70 T74 E75 I76K70-S72 PolarHBondContact O-N 3.3Å; S72-T74 PolarHBondContact O-N 2.98Å; S72-E75 WeakPolarHBondContact CB-OE2 3.3Å; S72-E75 PolarHBondContact N-OE2 2.85Å; S72-E75 PolarHBondContact O-N 3.32Å; S72-E75 VanDerWaalsContact O-N 3.16Å; S72-E75 WeakPolarHBondContact OG-CB 3.39Å; S72-E75 VanDerWaalsContact OG-CG 3.24Å; S72-E75 WeakPolarHBondContact OG-CG 3.36Å; S72-E75 PolarHBondContact OG-N 3.21Å; S72-E75 VanDerWaalsContact OG-N 3.14Å; S72-E75 PolarHBondContact OG-OE2 2.88Å; S72-I76 WeakPolarHBondContact O-CG1 3.33Å; S72-I76 PolarHBondContact O-N 3.05Å
73A98.5Very high97.7Very high24 Ų2448.4 Ų48.420%0.19826%0.261CS..Hα-helixtrans-58.2-36.3172.900000111.9I76 T77 V85 F119A73-I76 PolarHBondContact O-N 2.69Å; A73-T77 WeakPolarHBondContact O-CB 3.34Å; A73-T77 PolarHBondContact O-N 3.05Å; A73-T77 PolarHBondContact O-OG1 3.43Å; A73-V85 HydrophobicContact CB-CG1 3.89Å; A73-F119 HydrophobicContact CB-CZ 4.05Å
74T98.6Very high97.8Very high115 Ų11547.5 Ų47.571%0.70626%0.257SS*.Hα-helixtrans-62.7-42.7175.9-530000111.9S72 T77 K78S72-T74 PolarHBondContact O-N 2.98Å; T74-T77 PolarHBondContact O-N 2.94Å; T74-K78 PolarHBondContact O-N 3.1Å
75E98.7Very high97.9Very high64 Ų6445.2 Ų45.230%0.29924%0.243SC..Hα-helixtrans-65.7-42.9176.1-73.8164.9121.400112.1S72 T77 K78 L130 L170S72-E75 WeakPolarHBondContact CB-OE2 3.3Å; S72-E75 PolarHBondContact N-OE2 2.85Å; S72-E75 PolarHBondContact O-N 3.32Å; S72-E75 VanDerWaalsContact O-N 3.16Å; S72-E75 WeakPolarHBondContact OG-CB 3.39Å; S72-E75 VanDerWaalsContact OG-CG 3.24Å; S72-E75 WeakPolarHBondContact OG-CG 3.36Å; S72-E75 PolarHBondContact OG-N 3.21Å; S72-E75 VanDerWaalsContact OG-N 3.14Å; S72-E75 PolarHBondContact OG-OE2 2.88Å; E75-T77 VanDerWaalsContact C-N 3.25Å; E75-T77 PolarHBondContact O-N 3.37Å; E75-K78 VanDerWaalsContact O-CB 3.26Å; E75-K78 WeakPolarHBondContact O-CB 3.46Å; E75-K78 WeakPolarHBondContact O-CG 3.29Å; E75-K78 PolarHBondContact O-N 3.27Å; E75-K78 VanDerWaalsContact O-N 3.13Å; E75-L130 HydrophobicContact CB-CD1 3.96Å; E75-L170 WeakPolarHBondContact O-CD2 3.21Å
76I98.8Very high97.9Very high0 Ų049.6 Ų49.60%026%0.264CS..Hα-helixtrans-63.3-35.1177.1-64171.9000110.9A71 S72 A73 K78 Y79 H80 V85 F119 Q123 A126 V165 L170A71-I76 HydrophobicContact CB-CD1 4.29Å; A71-I76 HydrophobicContact CB-CG1 4.06Å; S72-I76 WeakPolarHBondContact O-CG1 3.33Å; S72-I76 PolarHBondContact O-N 3.05Å; A73-I76 PolarHBondContact O-N 2.69Å; I76-K78 PolarHBondContact O-N 3.04Å; I76-Y79 PolarHBondContact O-N 3.24Å; I76-H80 HydrophobicContact CG2-CB 4.29Å; I76-H80 PolarHBondContact O-N 3.11Å; I76-H80 VanDerWaalsContact O-N 3.1Å; I76-V85 HydrophobicContact CB-CG2 4.41Å; I76-V85 HydrophobicContact CG2-CG2 3.7Å; I76-F119 HydrophobicContact CD1-CE2 3.82Å; I76-F119 HydrophobicContact CD1-CZ 3.97Å; I76-Q123 HydrophobicContact CD1-CG 4.18Å; I76-A126 HydrophobicContact CG1-CB 4.47Å; I76-V165 HydrophobicContact CG2-CG1 4.03Å; I76-V165 HydrophobicContact CG2-CG2 3.89Å; I76-L170 HydrophobicContact CG1-CD1 4.32Å
77T98.7Very high97.9Very high49 Ų4947.7 Ų47.730%0.30126%0.257SS..THydrogen-bonded Turntrans-70.2-8.4178.2-54.60000113.2A73 T74 E75 Y79 H80 E82A73-T77 WeakPolarHBondContact O-CB 3.34Å; A73-T77 PolarHBondContact O-N 3.05Å; A73-T77 PolarHBondContact O-OG1 3.43Å; T74-T77 PolarHBondContact O-N 2.94Å; E75-T77 VanDerWaalsContact C-N 3.25Å; E75-T77 PolarHBondContact O-N 3.37Å; T77-Y79 PolarHBondContact O-N 3.13Å; T77-H80 CarbonylContact C-O 3.57Å; T77-H80 WeakPolarHBondContact CA-O 3.34Å; T77-E82 HydrophobicContact CG2-CB 4.11Å
78K98.6Very high98Very high113 Ų11344.1 Ų44.149%0.49124%0.241SC..THydrogen-bonded Turntrans-60-28.5170.9-70.9179.4175.5172.90112.5T74 E75 I76 L170T74-K78 PolarHBondContact O-N 3.1Å; E75-K78 VanDerWaalsContact O-CB 3.26Å; E75-K78 WeakPolarHBondContact O-CB 3.46Å; E75-K78 WeakPolarHBondContact O-CG 3.29Å; E75-K78 PolarHBondContact O-N 3.27Å; E75-K78 VanDerWaalsContact O-N 3.13Å; I76-K78 PolarHBondContact O-N 3.04Å; K78-L170 HydrophobicContact CB-CD2 4.2Å
79Y98.8Very high98.3Very high23 Ų2348.5 Ų48.59%0.0926%0.26CS..THydrogen-bonded Turntrans-113.7-53.9172.7174.5-125.3000111.7I76 T77 K156 N166 V169 A198I76-Y79 PolarHBondContact O-N 3.24Å; T77-Y79 PolarHBondContact O-N 3.13Å; Y79-K156 HydrophobicContact CD2-CG 4.43Å; Y79-K156 HydrophobicContact CE2-CB 4.09Å; Y79-K156 HydrophobicContact CE2-CG 4.14Å; Y79-K156 VanDerWaalsContact O-CE 3.23Å; Y79-K156 WeakPolarHBondContact O-CE 3.15Å; Y79-K156 VanDerWaalsContact O-CG 3.28Å; Y79-K156 WeakPolarHBondContact O-CG 3.31Å; Y79-K156 PolarHBondContact OH-N 3.04Å; Y79-N166 HydrophobicContact CD1-CB 4.11Å; Y79-N166 HydrophobicContact CE1-CB 3.83Å; Y79-V169 HydrophobicContact CD1-CB 4.05Å; Y79-V169 HydrophobicContact CD1-CG1 3.79Å; Y79-V169 HydrophobicContact CD2-CG1 3.5Å; Y79-V169 HydrophobicContact CE1-CB 4.21Å; Y79-V169 HydrophobicContact CE1-CG1 4.1Å; Y79-V169 HydrophobicContact CE1-CG2 4.31Å; Y79-V169 HydrophobicContact CE2-CG1 3.85Å; Y79-V169 HydrophobicContact CG-CB 4.23Å; Y79-V169 HydrophobicContact CG-CG1 3.47Å; Y79-V169 VanDerWaalsContact CG-CG1 3.47Å; Y79-A198 HydrophobicContact CE2-CB 3.75Å
80H98.8Very high98.4Very high2 Ų247.1 Ų47.11%0.00925%0.247CC..SBendtrans-74.2152-173.8-68.2-75.8000112.3I76 T77 Y84 V85 K155 K156 V165 N166I76-H80 HydrophobicContact CG2-CB 4.29Å; I76-H80 PolarHBondContact O-N 3.11Å; I76-H80 VanDerWaalsContact O-N 3.1Å; T77-H80 CarbonylContact C-O 3.57Å; T77-H80 WeakPolarHBondContact CA-O 3.34Å; H80-Y84 HydrophobicContact CB-CD1 4.06Å; H80-Y84 AromaticContact ND1-CD1 3.85Å; H80-Y84 AromaticContact ND1-CE1 3.73Å; H80-V85 HydrophobicContact CB-CG2 3.79Å; H80-K155 PolarHBondContact CE1-O 3.29Å; H80-K155 PolarHBondContact ND1-O 3.46Å; H80-K156 VanDerWaalsContact CA-O 3.24Å; H80-K156 WeakPolarHBondContact CA-O 3.41Å; H80-K156 PolarHBondContact ND1-O 3.37Å; H80-K156 VanDerWaalsContact ND1-O 3.15Å; H80-V165 WeakPolarHBondContact NE2-CA 3.31Å; H80-N166 PolarHBondContact NE2-N 2.94Å
81T98.6Very high98.4Very high37 Ų3743.3 Ų43.323%0.22723%0.23CC..  trans-70145.517657.70000111.8D83 Y84 V85 K156 C157T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 WeakPolarHBondContact CB-OD1 3.45Å; T81-D83 PolarHBondContact O-N 3.05Å; T81-D83 PolarHBondContact OG1-OD1 3.07Å; T81-Y84 WeakPolarHBondContact O-CB 3.15Å; T81-Y84 PolarHBondContact O-N 3.3Å; T81-Y84 VanDerWaalsContact O-N 3.1Å; T81-Y84 WeakPolarHBondContact OG1-CB 3.44Å; T81-V85 PolarHBondContact O-N 2.93Å; T81-K156 HydrophobicContact CG2-CG 4.48Å; T81-K156 PolarHBondContact N-O 3.17Å; T81-C157 WeakPolarHBondContact CG2-SG 3.49Å
82E98.3Very high98.3Very high123 Ų12345 Ų4558%0.57524%0.241SC*.Hα-helixtrans-56.2-41-179.1-176.3174.7-166.800112.2T77 Y84 V85 M86T77-E82 HydrophobicContact CG2-CB 4.11Å; E82-Y84 VanDerWaalsContact C-N 3.35Å; E82-Y84 PolarHBondContact O-N 3.24Å; E82-V85 PolarHBondContact O-N 2.94Å; E82-M86 HydrophobicContact CG-CE 3.63Å; E82-M86 HydrophobicContact CG-CG 4.47Å; E82-M86 HydrophobicContact CG-SD 4.27Å; E82-M86 WeakPolarHBondContact O-CB 3.39Å; E82-M86 VanDerWaalsContact O-CG 3.29Å; E82-M86 WeakPolarHBondContact O-CG 3.41Å; E82-M86 PolarHBondContact O-N 3.43Å; E82-M86 VanDerWaalsContact OE1-CE 3.24Å; E82-M86 WeakPolarHBondContact OE1-CE 3.27Å
83D98.1Very high98.2Very high58 Ų5845 Ų4531%0.3124%0.239SC..Hα-helixtrans-67.3-32.6178.867.4-27.9000113.4T81 F87 R105 F106T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 WeakPolarHBondContact CB-OD1 3.45Å; T81-D83 PolarHBondContact O-N 3.05Å; T81-D83 PolarHBondContact OG1-OD1 3.07Å; D83-F87 WeakPolarHBondContact O-CB 3.39Å; D83-F87 PolarHBondContact O-N 3.21Å; D83-F87 VanDerWaalsContact O-N 3.07Å; D83-R105 IonicContact OD2-CZ 3.11Å; D83-R105 IonicContact OD2-NH1 2.83Å; D83-R105 PolarHBondContact OD2-NH1 2.77Å; D83-R105 IonicContact OD2-NH2 2.8Å; D83-R105 PolarHBondContact OD2-NH2 3.28Å; D83-F106 HydrophobicContact CB-CZ 4.44Å
84Y98.6Very high98.1Very high0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-70-43.6172.7178.3-110.3000111.3H80 T81 E82 F87 L88 F106 F108 C157 A159 Y164H80-Y84 HydrophobicContact CB-CD1 4.06Å; H80-Y84 AromaticContact ND1-CD1 3.85Å; H80-Y84 AromaticContact ND1-CE1 3.73Å; T81-Y84 WeakPolarHBondContact O-CB 3.15Å; T81-Y84 PolarHBondContact O-N 3.3Å; T81-Y84 VanDerWaalsContact O-N 3.1Å; T81-Y84 WeakPolarHBondContact OG1-CB 3.44Å; E82-Y84 VanDerWaalsContact C-N 3.35Å; E82-Y84 PolarHBondContact O-N 3.24Å; Y84-F87 WeakPolarHBondContact O-CB 3.16Å; Y84-F87 PolarHBondContact O-N 3.47Å; Y84-L88 HydrophobicContact CD1-CD1 4.05Å; Y84-L88 HydrophobicContact CE1-CD1 3.59Å; Y84-L88 HydrophobicContact CE1-CG 4.21Å; Y84-L88 WeakPolarHBondContact O-CG 3.45Å; Y84-L88 PolarHBondContact O-N 3.39Å; Y84-F106 HydrophobicContact CD2-CB 3.81Å; Y84-F106 AromaticContact CD2-CD1 3.65Å; Y84-F106 HydrophobicContact CD2-CD1 3.65Å; Y84-F106 HydrophobicContact CD2-CD2 4.16Å; Y84-F106 HydrophobicContact CD2-CE1 4.13Å; Y84-F106 AromaticContact CD2-CG 3.63Å; Y84-F106 HydrophobicContact CD2-CG 3.63Å; Y84-F106 HydrophobicContact CE2-CB 3.86Å; Y84-F106 HydrophobicContact CE2-CD1 4.49Å; Y84-F106 HydrophobicContact CE2-CG 4.22Å; Y84-F106 HydrophobicContact CG-CD1 4.48Å; Y84-F108 AromaticContact CE2-CE2 3.99Å; Y84-F108 HydrophobicContact CE2-CE2 3.99Å; Y84-C157 WeakPolarHBondContact CD2-O 3.36Å; Y84-A159 PolarHBondContact OH-N 3.22Å; Y84-Y164 VanDerWaalsContact CE1-O 3.27Å; Y84-Y164 WeakPolarHBondContact CE1-O 3.41Å; Y84-Y164 PolarHBondContact OH-O 3.33Å
85V98.7Very high98Very high2 Ų248.5 Ų48.51%0.01224%0.242CC..Hα-helixtrans-64.8-44.6177.1177.30000111.3A73 I76 H80 T81 E82 F87 L88 Q89 F119A73-V85 HydrophobicContact CB-CG1 3.89Å; I76-V85 HydrophobicContact CB-CG2 4.41Å; I76-V85 HydrophobicContact CG2-CG2 3.7Å; H80-V85 HydrophobicContact CB-CG2 3.79Å; T81-V85 PolarHBondContact O-N 2.93Å; E82-V85 PolarHBondContact O-N 2.94Å; V85-F87 VanDerWaalsContact C-N 3.26Å; V85-F87 PolarHBondContact O-N 2.91Å; V85-L88 WeakPolarHBondContact O-CB 3.38Å; V85-L88 PolarHBondContact O-N 3.41Å; V85-L88 VanDerWaalsContact O-N 3.17Å; V85-Q89 WeakPolarHBondContact O-CG 3.42Å; V85-Q89 PolarHBondContact O-N 3.07Å; V85-F119 HydrophobicContact CG1-CE2 4.03Å; V85-F119 HydrophobicContact CG1-CZ 4.3Å
86M98.2Very high97.7Very high100 Ų10049.4 Ų49.449%0.49325%0.247SC..Hα-helixtrans-59.1-38.7173.7-74.1-179178.800111.8E82 Q89 S90E82-M86 HydrophobicContact CG-CE 3.63Å; E82-M86 HydrophobicContact CG-CG 4.47Å; E82-M86 HydrophobicContact CG-SD 4.27Å; E82-M86 WeakPolarHBondContact O-CB 3.39Å; E82-M86 VanDerWaalsContact O-CG 3.29Å; E82-M86 WeakPolarHBondContact O-CG 3.41Å; E82-M86 PolarHBondContact O-N 3.43Å; E82-M86 VanDerWaalsContact OE1-CE 3.24Å; E82-M86 WeakPolarHBondContact OE1-CE 3.27Å; M86-Q89 PolarHBondContact O-N 2.97Å; M86-S90 WeakPolarHBondContact O-CB 3.08Å; M86-S90 PolarHBondContact O-N 3.23Å; M86-S90 VanDerWaalsContact O-N 3.13Å; M86-S90 PolarHBondContact O-OG 2.65Å; M86-S90 VanDerWaalsContact O-OG 3.11Å
87F98.3Very high97.5Very high7 Ų753.1 Ų53.13%0.03128%0.277CS..Hα-helixtrans-62.1-50.8173.5174.5-100.3000111.5D83 Y84 V85 Q89 S90 I91 F99 H102 V103 F106 F108D83-F87 WeakPolarHBondContact O-CB 3.39Å; D83-F87 PolarHBondContact O-N 3.21Å; D83-F87 VanDerWaalsContact O-N 3.07Å; Y84-F87 WeakPolarHBondContact O-CB 3.16Å; Y84-F87 PolarHBondContact O-N 3.47Å; V85-F87 VanDerWaalsContact C-N 3.26Å; V85-F87 PolarHBondContact O-N 2.91Å; F87-Q89 VanDerWaalsContact C-N 3.27Å; F87-Q89 PolarHBondContact O-N 3.14Å; F87-S90 PolarHBondContact O-N 2.97Å; F87-S90 PolarHBondContact O-OG 3.35Å; F87-S90 VanDerWaalsContact O-OG 3.05Å; F87-I91 HydrophobicContact CD1-CG2 4.38Å; F87-I91 HydrophobicContact CD2-CB 4.35Å; F87-I91 HydrophobicContact CE1-CB 4.16Å; F87-I91 HydrophobicContact CE1-CG1 4.18Å; F87-I91 HydrophobicContact CE1-CG2 4.06Å; F87-I91 HydrophobicContact CE2-CB 3.97Å; F87-I91 HydrophobicContact CE2-CD1 3.69Å; F87-I91 HydrophobicContact CE2-CG1 3.84Å; F87-I91 HydrophobicContact CZ-CB 3.88Å; F87-I91 HydrophobicContact CZ-CD1 3.82Å; F87-I91 HydrophobicContact CZ-CG1 3.55Å; F87-I91 HydrophobicContact CZ-CG2 4.26Å; F87-I91 VanDerWaalsContact O-CB 3.31Å; F87-I91 WeakPolarHBondContact O-CB 3.4Å; F87-I91 WeakPolarHBondContact O-CG2 3.49Å; F87-I91 PolarHBondContact O-N 2.95Å; F87-F99 HydrophobicContact CD2-CD1 4.35Å; F87-F99 HydrophobicContact CE2-CB 4Å; F87-F99 HydrophobicContact CE2-CD1 4.35Å; F87-F99 HydrophobicContact CE2-CG 4.47Å; F87-H102 HydrophobicContact CD2-CB 3.57Å; F87-H102 HydrophobicContact CE2-CB 3.49Å; F87-H102 VanDerWaalsContact CE2-CB 3.49Å; F87-H102 HydrophobicContact CG-CB 4.42Å; F87-H102 HydrophobicContact CZ-CB 4.28Å; F87-V103 HydrophobicContact CE2-CG2 4.48Å; F87-V103 HydrophobicContact CZ-CG2 4.04Å; F87-F106 HydrophobicContact CB-CD2 3.83Å; F87-F106 HydrophobicContact CB-CE2 3.5Å; F87-F106 VanDerWaalsContact CB-CE2 3.5Å; F87-F106 HydrophobicContact CB-CZ 4.48Å; F87-F106 AromaticContact CD1-CD2 3.52Å; F87-F106 HydrophobicContact CD1-CD2 3.52Å; F87-F106 HydrophobicContact CD1-CE2 4.13Å; F87-F106 HydrophobicContact CD1-CG 4.41Å; F87-F106 HydrophobicContact CD2-CD2 4.11Å; F87-F106 HydrophobicContact CD2-CE2 4.23Å; F87-F106 HydrophobicContact CE1-CD2 4.08Å; F87-F106 AromaticContact CG-CD2 3.53Å; F87-F106 HydrophobicContact CG-CD2 3.53Å; F87-F106 AromaticContact CG-CE2 3.69Å; F87-F106 HydrophobicContact CG-CE2 3.69Å; F87-F108 HydrophobicContact CD1-CE2 4.03Å; F87-F108 HydrophobicContact CD1-CZ 4.38Å; F87-F108 AromaticContact CE1-CD2 3.71Å; F87-F108 HydrophobicContact CE1-CD2 3.71Å; F87-F108 HydrophobicContact CE1-CE1 4.36Å; F87-F108 AromaticContact CE1-CE2 3.47Å; F87-F108 HydrophobicContact CE1-CE2 3.47Å; F87-F108 VanDerWaalsContact CE1-CE2 3.47Å; F87-F108 HydrophobicContact CE1-CG 4.27Å; F87-F108 AromaticContact CE1-CZ 3.82Å; F87-F108 HydrophobicContact CE1-CZ 3.82Å; F87-F108 HydrophobicContact CZ-CD2 4.44Å
88L98.3Very high97.4Very high2 Ų257.2 Ų57.21%0.0130%0.297CS..Hα-helixtrans-55-41.9176.7-69.7175.6000112.5Y84 V85 S90 F108 L118 F119 V165Y84-L88 HydrophobicContact CD1-CD1 4.05Å; Y84-L88 HydrophobicContact CE1-CD1 3.59Å; Y84-L88 HydrophobicContact CE1-CG 4.21Å; Y84-L88 WeakPolarHBondContact O-CG 3.45Å; Y84-L88 PolarHBondContact O-N 3.39Å; V85-L88 WeakPolarHBondContact O-CB 3.38Å; V85-L88 PolarHBondContact O-N 3.41Å; V85-L88 VanDerWaalsContact O-N 3.17Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 2.9Å; L88-F108 HydrophobicContact CD2-CE1 4.47Å; L88-F108 HydrophobicContact CD2-CE2 4.38Å; L88-F108 HydrophobicContact CD2-CZ 3.57Å; L88-L118 HydrophobicContact CD2-CD2 3.94Å; L88-L118 HydrophobicContact CD2-CG 4.43Å; L88-F119 HydrophobicContact CB-CD2 3.79Å; L88-F119 HydrophobicContact CB-CE2 4.45Å; L88-V165 HydrophobicContact CD1-CG2 3.77Å
89Q97.9Very high97.2Very high100 Ų10054.9 Ų54.947%0.46729%0.287SS..Hα-helixtrans-64.6-32.8177.7-72.6-178-69.500113.4V85 M86 F87 F119V85-Q89 WeakPolarHBondContact O-CG 3.42Å; V85-Q89 PolarHBondContact O-N 3.07Å; M86-Q89 PolarHBondContact O-N 2.97Å; F87-Q89 VanDerWaalsContact C-N 3.27Å; F87-Q89 PolarHBondContact O-N 3.14Å; Q89-F119 HydrophobicContact CB-CG 4.5Å; Q89-F119 HydrophobicContact CG-CD1 3.65Å; Q89-F119 HydrophobicContact CG-CD2 3.83Å; Q89-F119 HydrophobicContact CG-CE1 3.47Å; Q89-F119 VanDerWaalsContact CG-CE1 3.47Å; Q89-F119 HydrophobicContact CG-CE2 3.67Å; Q89-F119 HydrophobicContact CG-CG 3.82Å; Q89-F119 HydrophobicContact CG-CZ 3.48Å; Q89-F119 VanDerWaalsContact CG-CZ 3.48Å
90S96.6Very high96.9Very high37 Ų3757.2 Ų57.226%0.25931%0.307SS..Hα-helixtrans-96.6-27.4-171.169.80000114.1M86 F87 L88 K95M86-S90 WeakPolarHBondContact O-CB 3.08Å; M86-S90 PolarHBondContact O-N 3.23Å; M86-S90 VanDerWaalsContact O-N 3.13Å; M86-S90 PolarHBondContact O-OG 2.65Å; M86-S90 VanDerWaalsContact O-OG 3.11Å; F87-S90 PolarHBondContact O-N 2.97Å; F87-S90 PolarHBondContact O-OG 3.35Å; F87-S90 VanDerWaalsContact O-OG 3.05Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 2.9Å; S90-K95 WeakPolarHBondContact O-CD 3.28Å; S90-K95 PolarHBondContact O-NZ 3.34Å
91I97.6Very high96.8Very high8 Ų865.6 Ų65.64%0.04134%0.343CS..  trans-75.2138.6-169.5-165.361.4000111.7F87 K95 F99 I114 L118F87-I91 HydrophobicContact CD1-CG2 4.38Å; F87-I91 HydrophobicContact CD2-CB 4.35Å; F87-I91 HydrophobicContact CE1-CB 4.16Å; F87-I91 HydrophobicContact CE1-CG1 4.18Å; F87-I91 HydrophobicContact CE1-CG2 4.06Å; F87-I91 HydrophobicContact CE2-CB 3.97Å; F87-I91 HydrophobicContact CE2-CD1 3.69Å; F87-I91 HydrophobicContact CE2-CG1 3.84Å; F87-I91 HydrophobicContact CZ-CB 3.88Å; F87-I91 HydrophobicContact CZ-CD1 3.82Å; F87-I91 HydrophobicContact CZ-CG1 3.55Å; F87-I91 HydrophobicContact CZ-CG2 4.26Å; F87-I91 VanDerWaalsContact O-CB 3.31Å; F87-I91 WeakPolarHBondContact O-CB 3.4Å; F87-I91 WeakPolarHBondContact O-CG2 3.49Å; F87-I91 PolarHBondContact O-N 2.95Å; I91-K95 HydrophobicContact CD1-CB 4.33Å; I91-F99 HydrophobicContact CD1-CB 3.94Å; I91-F99 HydrophobicContact CD1-CD2 4.46Å; I91-F99 HydrophobicContact CD1-CG 4.27Å; I91-I114 HydrophobicContact CD1-CD1 4.03Å; I91-I114 HydrophobicContact CG1-CD1 3.59Å; I91-I114 HydrophobicContact CG1-CG1 4.12Å; I91-I114 HydrophobicContact CG1-CG2 3.89Å; I91-I114 HydrophobicContact CG2-CG2 4.43Å; I91-L118 HydrophobicContact CG2-CD2 4.03Å
92T96.8Very high96.7Very high37 Ų3767.4 Ų67.423%0.22735%0.349CS..  trans-144.7159.7177.5500000108.2E94 K95 Q96T92-E94 WeakPolarHBondContact CB-OE2 3.17Å; T92-E94 PolarHBondContact O-N 3.28Å; T92-K95 PolarHBondContact O-N 2.98Å; T92-K95 WeakPolarHBondContact OG1-CD 3.23Å; T92-K95 VanDerWaalsContact OG1-CG 3.29Å; T92-K95 WeakPolarHBondContact OG1-CG 3.48Å; T92-Q96 PolarHBondContact O-N 2.75Å
93P96.4Very high96.6Very high43 Ų4362.2 Ų62.228%0.27933%0.326SS..G310 helixtrans-51.9-38.7177-27.836.2000113K95 Q96 I114P93-K95 VanDerWaalsContact C-N 3.34Å; P93-K95 PolarHBondContact O-N 2.99Å; P93-Q96 WeakPolarHBondContact O-CB 3.35Å; P93-Q96 PolarHBondContact O-N 3.4Å; P93-I114 HydrophobicContact CG-CG2 4.42Å
94E97Very high96.6Very high127 Ų12768.1 Ų68.159%0.59335%0.349SS*.G310 helixtrans-66.8-34.7-179.8-62.373.8-161.200112.7T92 H116T92-E94 WeakPolarHBondContact CB-OE2 3.17Å; T92-E94 PolarHBondContact O-N 3.28Å; E94-H116 IonicContact OE1-CE1 3.4Å; E94-H116 PolarHBondContact OE1-CE1 3.34Å; E94-H116 IonicContact OE1-NE2 2.76Å; E94-H116 PolarHBondContact OE1-NE2 2.81Å; E94-H116 IonicContact OE2-CE1 3.78Å; E94-H116 PolarHBondContact OE2-CE1 2.76Å; E94-H116 VanDerWaalsContact OE2-CE1 3.3Å
95K95.4Very high96.5Very high86 Ų8674.6 Ų74.637%0.37437%0.373SS..G310 helixtrans-85.8-8.4-178.8-67.9178.5-169172.90113.2S90 I91 T92 P93 A97 D98 F99S90-K95 WeakPolarHBondContact O-CD 3.28Å; S90-K95 PolarHBondContact O-NZ 3.34Å; I91-K95 HydrophobicContact CD1-CB 4.33Å; T92-K95 PolarHBondContact O-N 2.98Å; T92-K95 WeakPolarHBondContact OG1-CD 3.23Å; T92-K95 VanDerWaalsContact OG1-CG 3.29Å; T92-K95 WeakPolarHBondContact OG1-CG 3.48Å; P93-K95 VanDerWaalsContact C-N 3.34Å; P93-K95 PolarHBondContact O-N 2.99Å; K95-A97 PolarHBondContact O-N 3.14Å; K95-A97 VanDerWaalsContact O-N 3.14Å; K95-D98 PolarHBondContact O-N 2.61Å; K95-D98 VanDerWaalsContact O-N 3.08Å; K95-F99 HydrophobicContact CB-CD2 3.92Å; K95-F99 HydrophobicContact CB-CE2 4.1Å; K95-F99 HydrophobicContact CD-CE2 4.19Å; K95-F99 HydrophobicContact CG-CE2 4.48Å; K95-F99 WeakPolarHBondContact O-CD2 3.39Å; K95-F99 PolarHBondContact O-N 3.34Å; K95-F99 VanDerWaalsContact O-N 3.15Å
96Q94.1Very high96.5Very high84 Ų8474.5 Ų74.539%0.39337%0.373SS..THydrogen-bonded Turntrans-53.8-39.5-173.2179.9173.46.400113T92 P93 F99 S100 V103 I114T92-Q96 PolarHBondContact O-N 2.75Å; P93-Q96 WeakPolarHBondContact O-CB 3.35Å; P93-Q96 PolarHBondContact O-N 3.4Å; Q96-F99 PolarHBondContact O-N 3.02Å; Q96-S100 PolarHBondContact O-N 3.21Å; Q96-V103 HydrophobicContact CG-CG2 4.14Å; Q96-I114 HydrophobicContact CB-CD1 3.97Å; Q96-I114 HydrophobicContact CG-CD1 3.66Å
97A94.2Very high96.5Very high77 Ų7772.6 Ų72.664%0.63636%0.364SS*.THydrogen-bonded Turntrans-64.2-44.7179.100000112.5K95 F99 S100K95-A97 PolarHBondContact O-N 3.14Å; K95-A97 VanDerWaalsContact O-N 3.14Å; A97-F99 VanDerWaalsContact C-N 3.27Å; A97-F99 PolarHBondContact O-N 3.48Å; A97-S100 WeakPolarHBondContact O-CB 3.4Å; A97-S100 PolarHBondContact O-N 3.14Å; A97-S100 PolarHBondContact O-OG 3.21Å
98D95.3Very high96.4Very high135 Ų13573 Ų7372%0.72237%0.366SS*.THydrogen-bonded Turntrans-68.1-29.5-178.4-62.1-27.8000112.1K95K95-D98 PolarHBondContact O-N 2.61Å; K95-D98 VanDerWaalsContact O-N 3.08Å
99F94.5Very high96.3Very high65 Ų6576.3 Ų76.329%0.28538%0.384SS..THydrogen-bonded Turntrans-100.518.2-179.4-70.9-100000113.7F87 I91 K95 Q96 A97 K101 H102 V103F87-F99 HydrophobicContact CD2-CD1 4.35Å; F87-F99 HydrophobicContact CE2-CB 4Å; F87-F99 HydrophobicContact CE2-CD1 4.35Å; F87-F99 HydrophobicContact CE2-CG 4.47Å; I91-F99 HydrophobicContact CD1-CB 3.94Å; I91-F99 HydrophobicContact CD1-CD2 4.46Å; I91-F99 HydrophobicContact CD1-CG 4.27Å; K95-F99 HydrophobicContact CB-CD2 3.92Å; K95-F99 HydrophobicContact CB-CE2 4.1Å; K95-F99 HydrophobicContact CD-CE2 4.19Å; K95-F99 HydrophobicContact CG-CE2 4.48Å; K95-F99 WeakPolarHBondContact O-CD2 3.39Å; K95-F99 PolarHBondContact O-N 3.34Å; K95-F99 VanDerWaalsContact O-N 3.15Å; Q96-F99 PolarHBondContact O-N 3.02Å; A97-F99 VanDerWaalsContact C-N 3.27Å; A97-F99 PolarHBondContact O-N 3.48Å; F99-K101 PolarHBondContact O-N 3.08Å; F99-H102 HydrophobicContact CB-CB 4.48Å; F99-H102 AromaticContact CD1-ND1 3.81Å; F99-H102 WeakPolarHBondContact O-CA 3.2Å; F99-H102 WeakPolarHBondContact O-CB 3.24Å; F99-H102 PolarHBondContact O-N 3.33Å; F99-V103 WeakPolarHBondContact O-CG2 3.44Å; F99-V103 PolarHBondContact O-N 3.36Å
100S93.9Very high96.1Very high72 Ų7280 Ų8050%0.50340%0.401SS..Hα-helixtrans-47.3-36.7-176.255.10000115.4Q96 A97 K104Q96-S100 PolarHBondContact O-N 3.21Å; A97-S100 WeakPolarHBondContact O-CB 3.4Å; A97-S100 PolarHBondContact O-N 3.14Å; A97-S100 PolarHBondContact O-OG 3.21Å; S100-K104 PolarHBondContact O-N 2.93Å; S100-K104 VanDerWaalsContact O-N 3.08Å
101K95.9Very high96Very high178 Ų17881.6 Ų81.677%0.77441%0.407SS*.Hα-helixtrans-64.4-42.4174.3-69.7-177.6-178.7176.90112.8F99 R105F99-K101 PolarHBondContact O-N 3.08Å; K101-R105 VanDerWaalsContact O-CB 3.26Å; K101-R105 WeakPolarHBondContact O-CB 3.36Å; K101-R105 PolarHBondContact O-N 2.74Å
102H97.2Very high96Very high75 Ų7581.2 Ų81.235%0.34741%0.405SS..Hα-helixtrans-72.9-40.5177.9-63.695.2000111.3F87 F99 K104 R105 F106F87-H102 HydrophobicContact CD2-CB 3.57Å; F87-H102 HydrophobicContact CE2-CB 3.49Å; F87-H102 VanDerWaalsContact CE2-CB 3.49Å; F87-H102 HydrophobicContact CG-CB 4.42Å; F87-H102 HydrophobicContact CZ-CB 4.28Å; F99-H102 HydrophobicContact CB-CB 4.48Å; F99-H102 AromaticContact CD1-ND1 3.81Å; F99-H102 WeakPolarHBondContact O-CA 3.2Å; F99-H102 WeakPolarHBondContact O-CB 3.24Å; F99-H102 PolarHBondContact O-N 3.33Å; H102-K104 VanDerWaalsContact C-N 3.3Å; H102-K104 PolarHBondContact O-N 2.87Å; H102-R105 PolarHBondContact O-N 3.2Å; H102-R105 VanDerWaalsContact O-N 3.12Å; H102-F106 HydrophobicContact CB-CD2 4.02Å; H102-F106 HydrophobicContact CB-CE2 4.1Å; H102-F106 AromaticContact CD2-CE2 3.88Å; H102-F106 WeakPolarHBondContact O-CB 3.2Å; H102-F106 WeakPolarHBondContact O-CD2 3.24Å; H102-F106 PolarHBondContact O-N 2.98Å
103V96.7Very high96.1Very high14 Ų1480.7 Ų80.79%0.08540%0.402CS..Hα-helixtrans-52.5-49.7173.2173.50000110.3F87 Q96 F99 N107 F108 I114F87-V103 HydrophobicContact CE2-CG2 4.48Å; F87-V103 HydrophobicContact CZ-CG2 4.04Å; Q96-V103 HydrophobicContact CG-CG2 4.14Å; F99-V103 WeakPolarHBondContact O-CG2 3.44Å; F99-V103 PolarHBondContact O-N 3.36Å; V103-N107 PolarHBondContact O-N 3.48Å; V103-F108 HydrophobicContact CB-CB 4.45Å; V103-F108 HydrophobicContact CG1-CB 3.74Å; V103-F108 WeakPolarHBondContact CG1-O 3.49Å; V103-F108 PolarHBondContact O-N 3.47Å; V103-I114 HydrophobicContact CG2-CD1 3.96Å
104K96.9Very high96.2Very high181 Ų18179.4 Ų79.479%0.78739%0.393SS*.Hα-helixtrans-67.7-42176.1-175.7174.51771750112.9S100 H102 F106 N107S100-K104 PolarHBondContact O-N 2.93Å; S100-K104 VanDerWaalsContact O-N 3.08Å; H102-K104 VanDerWaalsContact C-N 3.3Å; H102-K104 PolarHBondContact O-N 2.87Å; K104-F106 VanDerWaalsContact C-N 3.34Å; K104-F106 PolarHBondContact O-N 2.83Å; K104-N107 PolarHBondContact O-N 3.17Å
105R97.6Very high96.2Very high136 Ų13674 Ų7451%0.51337%0.367SS..Hα-helixtrans-63.1-39.6-178.1177.9-179.2175.5-149.7-10.7112.5D83 K101 H102D83-R105 IonicContact OD2-CZ 3.11Å; D83-R105 IonicContact OD2-NH1 2.83Å; D83-R105 PolarHBondContact OD2-NH1 2.77Å; D83-R105 IonicContact OD2-NH2 2.8Å; D83-R105 PolarHBondContact OD2-NH2 3.28Å; K101-R105 VanDerWaalsContact O-CB 3.26Å; K101-R105 WeakPolarHBondContact O-CB 3.36Å; K101-R105 PolarHBondContact O-N 2.74Å; H102-R105 PolarHBondContact O-N 3.2Å; H102-R105 VanDerWaalsContact O-N 3.12Å
106F98.3Very high96.2Very high1 Ų175.6 Ų75.60%0.00438%0.376CS..THydrogen-bonded Turntrans-97.913.5-175-62.5-42.8000113.2D83 Y84 F87 H102 K104 F108 C157 E158 A159D83-F106 HydrophobicContact CB-CZ 4.44Å; Y84-F106 HydrophobicContact CD2-CB 3.81Å; Y84-F106 AromaticContact CD2-CD1 3.65Å; Y84-F106 HydrophobicContact CD2-CD1 3.65Å; Y84-F106 HydrophobicContact CD2-CD2 4.16Å; Y84-F106 HydrophobicContact CD2-CE1 4.13Å; Y84-F106 AromaticContact CD2-CG 3.63Å; Y84-F106 HydrophobicContact CD2-CG 3.63Å; Y84-F106 HydrophobicContact CE2-CB 3.86Å; Y84-F106 HydrophobicContact CE2-CD1 4.49Å; Y84-F106 HydrophobicContact CE2-CG 4.22Å; Y84-F106 HydrophobicContact CG-CD1 4.48Å; F87-F106 HydrophobicContact CB-CD2 3.83Å; F87-F106 HydrophobicContact CB-CE2 3.5Å; F87-F106 VanDerWaalsContact CB-CE2 3.5Å; F87-F106 HydrophobicContact CB-CZ 4.48Å; F87-F106 AromaticContact CD1-CD2 3.52Å; F87-F106 HydrophobicContact CD1-CD2 3.52Å; F87-F106 HydrophobicContact CD1-CE2 4.13Å; F87-F106 HydrophobicContact CD1-CG 4.41Å; F87-F106 HydrophobicContact CD2-CD2 4.11Å; F87-F106 HydrophobicContact CD2-CE2 4.23Å; F87-F106 HydrophobicContact CE1-CD2 4.08Å; F87-F106 AromaticContact CG-CD2 3.53Å; F87-F106 HydrophobicContact CG-CD2 3.53Å; F87-F106 AromaticContact CG-CE2 3.69Å; F87-F106 HydrophobicContact CG-CE2 3.69Å; H102-F106 HydrophobicContact CB-CD2 4.02Å; H102-F106 HydrophobicContact CB-CE2 4.1Å; H102-F106 AromaticContact CD2-CE2 3.88Å; H102-F106 WeakPolarHBondContact O-CB 3.2Å; H102-F106 WeakPolarHBondContact O-CD2 3.24Å; H102-F106 PolarHBondContact O-N 2.98Å; K104-F106 VanDerWaalsContact C-N 3.34Å; K104-F106 PolarHBondContact O-N 2.83Å; F106-F108 HydrophobicContact CB-CD2 3.97Å; F106-F108 HydrophobicContact CB-CE2 4.04Å; F106-F108 WeakPolarHBondContact O-CD2 3.45Å; F106-C157 WeakPolarHBondContact CD1-O 3.28Å; F106-E158 WeakPolarHBondContact O-CA 3.49Å; F106-A159 PolarHBondContact O-N 3.12Å
107N97.7Very high96.4Very high60 Ų6073 Ų7332%0.32137%0.371SS..THydrogen-bonded Turntrans58.146.3175-16354.3000115V103 K104 D109 E158 A159V103-N107 PolarHBondContact O-N 3.48Å; K104-N107 PolarHBondContact O-N 3.17Å; N107-D109 PolarHBondContact O-N 3.49Å; N107-E158 HydrophobicContact CB-CB 4.11Å; N107-E158 HydrophobicContact CB-CG 4.48Å; N107-A159 WeakPolarHBondContact CB-O 3.39Å; N107-A159 PolarHBondContact ND2-O 3.38Å
108F97.2Very high96.5Very high14 Ų1469.4 Ų69.46%0.06134%0.341CS..  trans-87.4105169.7-80.3-105000109.7Y84 F87 L88 V103 F106 C112 I114 L118 A159 Y164Y84-F108 AromaticContact CE2-CE2 3.99Å; Y84-F108 HydrophobicContact CE2-CE2 3.99Å; F87-F108 HydrophobicContact CD1-CE2 4.03Å; F87-F108 HydrophobicContact CD1-CZ 4.38Å; F87-F108 AromaticContact CE1-CD2 3.71Å; F87-F108 HydrophobicContact CE1-CD2 3.71Å; F87-F108 HydrophobicContact CE1-CE1 4.36Å; F87-F108 AromaticContact CE1-CE2 3.47Å; F87-F108 HydrophobicContact CE1-CE2 3.47Å; F87-F108 VanDerWaalsContact CE1-CE2 3.47Å; F87-F108 HydrophobicContact CE1-CG 4.27Å; F87-F108 AromaticContact CE1-CZ 3.82Å; F87-F108 HydrophobicContact CE1-CZ 3.82Å; F87-F108 HydrophobicContact CZ-CD2 4.44Å; L88-F108 HydrophobicContact CD2-CE1 4.47Å; L88-F108 HydrophobicContact CD2-CE2 4.38Å; L88-F108 HydrophobicContact CD2-CZ 3.57Å; V103-F108 HydrophobicContact CB-CB 4.45Å; V103-F108 HydrophobicContact CG1-CB 3.74Å; V103-F108 WeakPolarHBondContact CG1-O 3.49Å; V103-F108 PolarHBondContact O-N 3.47Å; F106-F108 HydrophobicContact CB-CD2 3.97Å; F106-F108 HydrophobicContact CB-CE2 4.04Å; F106-F108 WeakPolarHBondContact O-CD2 3.45Å; F108-C112 VanDerWaalsContact CD1-O 3.25Å; F108-C112 WeakPolarHBondContact CD1-O 3.44Å; F108-I114 HydrophobicContact CD1-CD1 4.22Å; F108-I114 HydrophobicContact CD1-CG1 3.47Å; F108-I114 VanDerWaalsContact CD1-CG1 3.47Å; F108-I114 HydrophobicContact CE1-CG1 4.04Å; F108-I114 HydrophobicContact CG-CG1 4.32Å; F108-L118 HydrophobicContact CE1-CD2 3.61Å; F108-L118 HydrophobicContact CZ-CD2 4.09Å; F108-A159 HydrophobicContact CD2-CB 4.32Å; F108-A159 HydrophobicContact CE2-CB 3.99Å; F108-A159 HydrophobicContact CZ-CB 4.23Å; F108-Y164 HydrophobicContact CD1-CE1 4.05Å; F108-Y164 AromaticContact CE1-CD1 3.58Å; F108-Y164 HydrophobicContact CE1-CD1 3.58Å; F108-Y164 AromaticContact CE1-CE1 3.44Å; F108-Y164 HydrophobicContact CE1-CE1 3.44Å; F108-Y164 VanDerWaalsContact CE1-CE1 3.44Å; F108-Y164 AromaticContact CZ-CD1 3.63Å; F108-Y164 HydrophobicContact CZ-CD1 3.63Å; F108-Y164 AromaticContact CZ-CE1 3.99Å; F108-Y164 HydrophobicContact CZ-CE1 3.99Å
109D94.2Very high96.7Very high72 Ų7264 Ų6439%0.38531%0.311SS..SBendtrans-125-158.1-17762.910.5000111.6N107 D111 C112N107-D109 PolarHBondContact O-N 3.49Å; D109-D111 VanDerWaalsContact C-N 3.3Å; D109-D111 WeakPolarHBondContact OD1-CA 3.36Å; D109-D111 WeakPolarHBondContact OD1-CB 3.48Å; D109-D111 PolarHBondContact OD1-N 3.16Å; D109-C112 CarbonylContact O-C 3.6Å; D109-C112 VanDerWaalsContact O-C 3.26Å; D109-C112 PolarHBondContact O-N 3.39Å; D109-C112 PolarHBondContact OD1-N 2.96Å
110E94Very high96.9Very high178 Ų17863.8 Ų63.883%0.83231%0.313SS*.SBendtrans-69-28.3178.6-64.9-172.3176.900113
111D95.9Very high97.1Very high71 Ų7160.8 Ų60.838%0.3829%0.291SS..SBendtrans-80-33.7175.9-70.4-24.2000110.2H40 D109 P113 F162H40-D111 PolarHBondContact NE2-O 3.04Å; H40-D111 VanDerWaalsContact NE2-O 3.1Å; D109-D111 VanDerWaalsContact C-N 3.3Å; D109-D111 WeakPolarHBondContact OD1-CA 3.36Å; D109-D111 WeakPolarHBondContact OD1-CB 3.48Å; D109-D111 PolarHBondContact OD1-N 3.16Å; D111-P113 WeakPolarHBondContact O-CD 3.32Å; D111-F162 HydrophobicContact CB-CD1 3.84Å; D111-F162 HydrophobicContact CB-CE1 3.68Å; D111-F162 WeakPolarHBondContact O-CD1 3.48Å
112C97.9Very high97.2Very high0 Ų052.3 Ų52.30%025%0.254CS..SBendtrans-11265.3177.3-61.50000112.4F108 D109 A159 Y164F108-C112 VanDerWaalsContact CD1-O 3.25Å; F108-C112 WeakPolarHBondContact CD1-O 3.44Å; D109-C112 CarbonylContact O-C 3.6Å; D109-C112 VanDerWaalsContact O-C 3.26Å; D109-C112 PolarHBondContact O-N 3.39Å; D109-C112 PolarHBondContact OD1-N 2.96Å; C112-A159 HydrophobicContact CB-CB 3.74Å; C112-Y164 WeakPolarHBondContact CA-OH 3.3Å; C112-Y164 HydrophobicContact CB-CE1 3.73Å
113P97.6Very high97.3Very high26 Ų2650.2 Ų50.217%0.16924%0.244CC..  trans-71.4148-176.630-35.5000112.7Y36 D111 F115 Y164Y36-P113 HydrophobicContact CD1-CG 4.14Å; Y36-P113 WeakPolarHBondContact O-CG 3.19Å; D111-P113 WeakPolarHBondContact O-CD 3.32Å; P113-F115 WeakPolarHBondContact O-CD1 3.47Å; P113-Y164 VanDerWaalsContact CD-OH 3.31Å; P113-Y164 WeakPolarHBondContact CD-OH 3.28Å; P113-Y164 VanDerWaalsContact N-OH 3.17Å; P113-Y164 PolarHBondContact O-OH 3.13Å
114I97.9Very high97.4Very high16 Ų1649.7 Ų49.78%0.08224%0.241CC..  trans-80.1126173.8-58.5163.8000109.1I91 P93 Q96 V103 F108I91-I114 HydrophobicContact CD1-CD1 4.03Å; I91-I114 HydrophobicContact CG1-CD1 3.59Å; I91-I114 HydrophobicContact CG1-CG1 4.12Å; I91-I114 HydrophobicContact CG1-CG2 3.89Å; I91-I114 HydrophobicContact CG2-CG2 4.43Å; P93-I114 HydrophobicContact CG-CG2 4.42Å; Q96-I114 HydrophobicContact CB-CD1 3.97Å; Q96-I114 HydrophobicContact CG-CD1 3.66Å; V103-I114 HydrophobicContact CG2-CD1 3.96Å; F108-I114 HydrophobicContact CD1-CD1 4.22Å; F108-I114 HydrophobicContact CD1-CG1 3.47Å; F108-I114 VanDerWaalsContact CD1-CG1 3.47Å; F108-I114 HydrophobicContact CE1-CG1 4.04Å; F108-I114 HydrophobicContact CG-CG1 4.32Å
115F97.1Very high97.4Very high14 Ų1441.1 Ų41.16%0.06120%0.204CC..  trans-133.6162.3175.857.3-95.7000111.8Y34 Y35 Y36 P113 G117 L118 F121 Y164Y34-F115 HydrophobicContact CD1-CD2 4.44Å; Y34-F115 AromaticContact CD1-CE2 3.96Å; Y34-F115 HydrophobicContact CD1-CE2 3.96Å; Y34-F115 HydrophobicContact CG-CE2 4.36Å; Y35-F115 WeakPolarHBondContact O-CB 3.25Å; Y36-F115 HydrophobicContact CD1-CE1 4.42Å; Y36-F115 HydrophobicContact CD2-CD1 4.43Å; Y36-F115 AromaticContact CD2-CE1 3.81Å; Y36-F115 HydrophobicContact CD2-CE1 3.81Å; Y36-F115 HydrophobicContact CD2-CZ 4.2Å; Y36-F115 HydrophobicContact CE1-CE1 4.46Å; Y36-F115 AromaticContact CE2-CE1 3.83Å; Y36-F115 HydrophobicContact CE2-CE1 3.83Å; Y36-F115 AromaticContact CE2-CZ 3.95Å; Y36-F115 HydrophobicContact CE2-CZ 3.95Å; Y36-F115 HydrophobicContact CG-CD1 4.49Å; Y36-F115 HydrophobicContact CG-CE1 4.12Å; P113-F115 WeakPolarHBondContact O-CD1 3.47Å; F115-G117 PolarHBondContact O-N 3Å; F115-L118 HydrophobicContact CD1-CD1 4.35Å; F115-L118 HydrophobicContact CD2-CB 4.4Å; F115-L118 HydrophobicContact CE1-CD1 3.65Å; F115-L118 HydrophobicContact CE2-CB 4.23Å; F115-L118 HydrophobicContact CE2-CD1 4.11Å; F115-L118 HydrophobicContact CZ-CB 4.45Å; F115-L118 HydrophobicContact CZ-CD1 3.5Å; F115-L118 WeakPolarHBondContact O-CB 3.34Å; F115-L118 PolarHBondContact O-N 2.83Å; F115-F121 HydrophobicContact CE2-CB 4.16Å; F115-F121 HydrophobicContact CE2-CD1 4.48Å; F115-F121 HydrophobicContact CE2-CG 4.42Å; F115-F121 HydrophobicContact CZ-CB 4.38Å; F115-F121 AromaticContact CZ-CD1 3.89Å; F115-F121 HydrophobicContact CZ-CD1 3.89Å; F115-F121 HydrophobicContact CZ-CG 4.26Å; F115-Y164 AromaticContact CE1-CE2 3.88Å; F115-Y164 HydrophobicContact CE1-CE2 3.88Å; F115-Y164 HydrophobicContact CZ-CE2 4.32Å
116H96.6Very high97.5Very high119 Ų11934.6 Ų34.655%0.55118%0.179SC*.THydrogen-bonded Turntrans-64134.3178.3-68.7-73.9000112E94 L118E94-H116 IonicContact OE1-CE1 3.4Å; E94-H116 PolarHBondContact OE1-CE1 3.34Å; E94-H116 IonicContact OE1-NE2 2.76Å; E94-H116 PolarHBondContact OE1-NE2 2.81Å; E94-H116 IonicContact OE2-CE1 3.78Å; E94-H116 PolarHBondContact OE2-CE1 2.76Å; E94-H116 VanDerWaalsContact OE2-CE1 3.3Å; H116-L118 VanDerWaalsContact C-N 3.31Å
117G97Very high97.5Very high28 Ų2834.6 Ų34.629%0.28918%0.18SC..THydrogen-bonded Turntrans7420.3-177.900000113.6Y34 F115 F119 D120 F121Y34-G117 WeakPolarHBondContact CE1-O 3.3Å; F115-G117 PolarHBondContact O-N 3Å; G117-F119 VanDerWaalsContact C-N 3.3Å; G117-F119 PolarHBondContact O-N 3.36Å; G117-D120 WeakPolarHBondContact O-CB 3.29Å; G117-D120 PolarHBondContact O-N 2.79Å; G117-D120 VanDerWaalsContact O-N 3.16Å; G117-F121 PolarHBondContact O-N 2.7Å
118L98.1Very high97.5Very high2 Ų231.8 Ų31.81%0.0116%0.164CC..Hα-helixtrans-50.4-48.3176.817464.6000112.5L88 I91 F108 F115 H116 F121 C122 Y164L88-L118 HydrophobicContact CD2-CD2 3.94Å; L88-L118 HydrophobicContact CD2-CG 4.43Å; I91-L118 HydrophobicContact CG2-CD2 4.03Å; F108-L118 HydrophobicContact CE1-CD2 3.61Å; F108-L118 HydrophobicContact CZ-CD2 4.09Å; F115-L118 HydrophobicContact CD1-CD1 4.35Å; F115-L118 HydrophobicContact CD2-CB 4.4Å; F115-L118 HydrophobicContact CE1-CD1 3.65Å; F115-L118 HydrophobicContact CE2-CB 4.23Å; F115-L118 HydrophobicContact CE2-CD1 4.11Å; F115-L118 HydrophobicContact CZ-CB 4.45Å; F115-L118 HydrophobicContact CZ-CD1 3.5Å; F115-L118 WeakPolarHBondContact O-CB 3.34Å; F115-L118 PolarHBondContact O-N 2.83Å; H116-L118 VanDerWaalsContact C-N 3.31Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 3.09Å; L118-C122 PolarHBondContact O-N 3.2Å; L118-C122 VanDerWaalsContact O-N 3.11Å; L118-C122 PolarHBondContact O-SG 2.76Å; L118-Y164 HydrophobicContact CD1-CD1 3.83Å; L118-Y164 HydrophobicContact CD1-CD2 3.57Å; L118-Y164 HydrophobicContact CD1-CE1 3.85Å; L118-Y164 HydrophobicContact CD1-CE2 3.6Å; L118-Y164 HydrophobicContact CD1-CG 3.7Å; L118-Y164 HydrophobicContact CD2-CD1 4.3Å; L118-Y164 HydrophobicContact CD2-CE1 4.36Å
119F98.4Very high97.6Very high23 Ų2331.1 Ų31.110%0.10116%0.162CC..Hα-helixtrans-64.8-45.8178.8-170.1-115000111.5A73 I76 V85 L88 Q89 G117 F121 C122 Q123A73-F119 HydrophobicContact CB-CZ 4.05Å; I76-F119 HydrophobicContact CD1-CE2 3.82Å; I76-F119 HydrophobicContact CD1-CZ 3.97Å; V85-F119 HydrophobicContact CG1-CE2 4.03Å; V85-F119 HydrophobicContact CG1-CZ 4.3Å; L88-F119 HydrophobicContact CB-CD2 3.79Å; L88-F119 HydrophobicContact CB-CE2 4.45Å; Q89-F119 HydrophobicContact CB-CG 4.5Å; Q89-F119 HydrophobicContact CG-CD1 3.65Å; Q89-F119 HydrophobicContact CG-CD2 3.83Å; Q89-F119 HydrophobicContact CG-CE1 3.47Å; Q89-F119 VanDerWaalsContact CG-CE1 3.47Å; Q89-F119 HydrophobicContact CG-CE2 3.67Å; Q89-F119 HydrophobicContact CG-CG 3.82Å; Q89-F119 HydrophobicContact CG-CZ 3.48Å; Q89-F119 VanDerWaalsContact CG-CZ 3.48Å; G117-F119 VanDerWaalsContact C-N 3.3Å; G117-F119 PolarHBondContact O-N 3.36Å; F119-F121 VanDerWaalsContact C-N 3.26Å; F119-F121 PolarHBondContact O-N 2.86Å; F119-C122 CarbonylContact O-C 3.51Å; F119-C122 WeakPolarHBondContact O-CA 3.3Å; F119-C122 WeakPolarHBondContact O-CB 3.49Å; F119-C122 PolarHBondContact O-N 2.8Å; F119-Q123 HydrophobicContact CD1-CG 3.86Å; F119-Q123 VanDerWaalsContact CD1-OE1 3.27Å; F119-Q123 HydrophobicContact CE1-CG 3.61Å; F119-Q123 HydrophobicContact CE2-CG 4.37Å; F119-Q123 HydrophobicContact CG-CG 4.36Å; F119-Q123 HydrophobicContact CZ-CG 3.9Å; F119-Q123 VanDerWaalsContact O-CG 3.32Å; F119-Q123 WeakPolarHBondContact O-CG 3.46Å; F119-Q123 PolarHBondContact O-N 3.06Å
120D98.3Very high97.9Very high59 Ų5928.1 Ų28.132%0.31615%0.146SC..Hα-helixtrans-55.8-40.9175.9-69.8-72.6000112.4Y34 K70 G117 C122 Q123 I124Y34-D120 HydrophobicContact CE1-CB 4.27Å; Y34-D120 WeakPolarHBondContact OH-CB 3.29Å; K70-D120 IonicContact NZ-OD1 2.64Å; K70-D120 PolarHBondContact NZ-OD1 3.31Å; G117-D120 WeakPolarHBondContact O-CB 3.29Å; G117-D120 PolarHBondContact O-N 2.79Å; G117-D120 VanDerWaalsContact O-N 3.16Å; D120-C122 VanDerWaalsContact C-N 3.34Å; D120-C122 PolarHBondContact O-N 3.02Å; D120-Q123 PolarHBondContact O-N 3.39Å; D120-I124 WeakPolarHBondContact O-CG1 3.46Å; D120-I124 PolarHBondContact O-N 2.83Å
121F98.2Very high98.1Very high10 Ų1020.1 Ų20.14%0.04411%0.109CC..Hα-helixtrans-59.5-45.1174.6174.5-111000111.8V31 Y34 Y36 P44 F115 G117 L118 F119 Q123 I124 S125 L151V31-F121 HydrophobicContact CG2-CE2 4.25Å; Y34-F121 HydrophobicContact CD1-CB 3.74Å; Y34-F121 HydrophobicContact CD1-CG 4.47Å; Y34-F121 HydrophobicContact CD2-CB 3.94Å; Y34-F121 AromaticContact CD2-CD2 3.48Å; Y34-F121 HydrophobicContact CD2-CD2 3.48Å; Y34-F121 VanDerWaalsContact CD2-CD2 3.48Å; Y34-F121 HydrophobicContact CD2-CE2 4.43Å; Y34-F121 HydrophobicContact CD2-CG 4.12Å; Y34-F121 HydrophobicContact CE1-CB 3.84Å; Y34-F121 HydrophobicContact CE2-CB 4.05Å; Y34-F121 HydrophobicContact CE2-CD2 4.09Å; Y34-F121 HydrophobicContact CG-CB 3.77Å; Y34-F121 AromaticContact CG-CD2 3.75Å; Y34-F121 HydrophobicContact CG-CD2 3.75Å; Y34-F121 HydrophobicContact CG-CG 4.04Å; Y36-F121 HydrophobicContact CE2-CE1 4.04Å; Y36-F121 HydrophobicContact CE2-CZ 4.24Å; Y36-F121 WeakPolarHBondContact OH-CE1 3.49Å; P44-F121 HydrophobicContact CB-CE2 4.04Å; P44-F121 HydrophobicContact CG-CE2 4Å; P44-F121 HydrophobicContact CG-CZ 4.18Å; F115-F121 HydrophobicContact CE2-CB 4.16Å; F115-F121 HydrophobicContact CE2-CD1 4.48Å; F115-F121 HydrophobicContact CE2-CG 4.42Å; F115-F121 HydrophobicContact CZ-CB 4.38Å; F115-F121 AromaticContact CZ-CD1 3.89Å; F115-F121 HydrophobicContact CZ-CD1 3.89Å; F115-F121 HydrophobicContact CZ-CG 4.26Å; G117-F121 PolarHBondContact O-N 2.7Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 3.09Å; F119-F121 VanDerWaalsContact C-N 3.26Å; F119-F121 PolarHBondContact O-N 2.86Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 2.85Å; F121-I124 PolarHBondContact O-N 3.16Å; F121-S125 PolarHBondContact O-N 3.25Å; F121-S125 PolarHBondContact O-OG 3.36Å; F121-L151 HydrophobicContact CE1-CD1 4.41Å
122C98.5Very high98.2Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-64-38.1175.6-60.60000112.1L118 F119 D120 I124 S125 A126 V165L118-C122 PolarHBondContact O-N 3.2Å; L118-C122 VanDerWaalsContact O-N 3.11Å; L118-C122 PolarHBondContact O-SG 2.76Å; F119-C122 CarbonylContact O-C 3.51Å; F119-C122 WeakPolarHBondContact O-CA 3.3Å; F119-C122 WeakPolarHBondContact O-CB 3.49Å; F119-C122 PolarHBondContact O-N 2.8Å; D120-C122 VanDerWaalsContact C-N 3.34Å; D120-C122 PolarHBondContact O-N 3.02Å; C122-I124 VanDerWaalsContact C-N 3.34Å; C122-S125 PolarHBondContact O-OG 2.72Å; C122-S125 VanDerWaalsContact O-OG 3.1Å; C122-A126 VanDerWaalsContact O-CB 3.25Å; C122-A126 WeakPolarHBondContact O-CB 3.43Å; C122-A126 PolarHBondContact O-N 3.44Å; C122-V165 HydrophobicContact CB-CB 4.03Å; C122-V165 HydrophobicContact CB-CG2 3.7Å
123Q98.7Very high98.2Very high30 Ų3016.8 Ų16.814%0.149%0.091CC..Hα-helixtrans-67.2-35.8178.5-65.9-176.7-82.600112.1K70 A71 I76 F119 D120 F121 G127K70-Q123 HydrophobicContact CB-CB 3.92Å; K70-Q123 HydrophobicContact CD-CB 4.42Å; K70-Q123 HydrophobicContact CG-CB 4.19Å; A71-Q123 PolarHBondContact N-O 3.37Å; A71-Q123 WeakPolarHBondContact O-CG 3.44Å; A71-Q123 PolarHBondContact O-NE2 3.49Å; I76-Q123 HydrophobicContact CD1-CG 4.18Å; F119-Q123 HydrophobicContact CD1-CG 3.86Å; F119-Q123 VanDerWaalsContact CD1-OE1 3.27Å; F119-Q123 HydrophobicContact CE1-CG 3.61Å; F119-Q123 HydrophobicContact CE2-CG 4.37Å; F119-Q123 HydrophobicContact CG-CG 4.36Å; F119-Q123 HydrophobicContact CZ-CG 3.9Å; F119-Q123 VanDerWaalsContact O-CG 3.32Å; F119-Q123 WeakPolarHBondContact O-CG 3.46Å; F119-Q123 PolarHBondContact O-N 3.06Å; D120-Q123 PolarHBondContact O-N 3.39Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 2.85Å; Q123-G127 WeakPolarHBondContact O-CA 3.3Å; Q123-G127 PolarHBondContact O-N 2.89Å
124I98.5Very high98.3Very high3 Ų319.7 Ų19.72%0.01510%0.103CC..Hα-helixtrans-66.3-50.5176.2-72.5164.6000110.7D28 D30 V31 Y34 K70 D120 F121 C122 G127 G128D28-I124 HydrophobicContact CB-CD1 4.49Å; D28-I124 HydrophobicContact CB-CG1 4.35Å; D28-I124 HydrophobicContact CB-CG2 3.57Å; D30-I124 HydrophobicContact CB-CD1 4.22Å; V31-I124 HydrophobicContact CB-CG2 4.17Å; V31-I124 HydrophobicContact CG2-CG2 4.23Å; Y34-I124 HydrophobicContact CE2-CD1 3.68Å; Y34-I124 WeakPolarHBondContact OH-CD1 3.31Å; K70-I124 HydrophobicContact CG-CG1 4.32Å; D120-I124 WeakPolarHBondContact O-CG1 3.46Å; D120-I124 PolarHBondContact O-N 2.83Å; F121-I124 PolarHBondContact O-N 3.16Å; C122-I124 VanDerWaalsContact C-N 3.34Å; I124-G127 PolarHBondContact O-N 2.89Å; I124-G128 PolarHBondContact O-N 2.99Å; I124-G128 VanDerWaalsContact O-N 3.11Å
125S98.1Very high98.3Very high1 Ų119.8 Ų19.81%0.00710%0.103CC..Hα-helixtrans-63.7-48.6-178.661.20000111.5F121 C122 S129 N146 A148F121-S125 PolarHBondContact O-N 3.25Å; F121-S125 PolarHBondContact O-OG 3.36Å; C122-S125 PolarHBondContact O-OG 2.72Å; C122-S125 VanDerWaalsContact O-OG 3.1Å; S125-S129 PolarHBondContact O-N 2.9Å; S125-S129 PolarHBondContact O-OG 2.96Å; S125-N146 PolarHBondContact O-ND2 3.06Å; S125-A148 VanDerWaalsContact CB-O 3.32Å; S125-A148 WeakPolarHBondContact CB-O 3.44Å
126A98.8Very high98.4Very high0 Ų019.3 Ų19.30%010%0.101CC..Hα-helixtrans-64-41.1177.100000112.5A71 I76 C122 G128 S129 L130 V165 D167 L170A71-A126 HydrophobicContact CB-CB 3.73Å; I76-A126 HydrophobicContact CG1-CB 4.47Å; C122-A126 VanDerWaalsContact O-CB 3.25Å; C122-A126 WeakPolarHBondContact O-CB 3.43Å; C122-A126 PolarHBondContact O-N 3.44Å; A126-G128 PolarHBondContact O-N 3.44Å; A126-S129 PolarHBondContact O-N 2.75Å; A126-L130 WeakPolarHBondContact O-CB 3.44Å; A126-L130 WeakPolarHBondContact O-CG 3.46Å; A126-L130 PolarHBondContact O-N 2.86Å; A126-V165 HydrophobicContact CB-CG1 4.12Å; A126-D167 HydrophobicContact CB-CB 4.33Å; A126-L170 HydrophobicContact CB-CD1 4.01Å
127G98.8Very high98.5Very high1 Ų115.3 Ų15.31%0.018%0.083CC..Hα-helixtrans-61.2-42.8-179.600000113A69 Q123 I124 S131A69-G127 WeakPolarHBondContact O-CA 3.4Å; Q123-G127 WeakPolarHBondContact O-CA 3.3Å; Q123-G127 PolarHBondContact O-N 2.89Å; I124-G127 PolarHBondContact O-N 2.89Å; G127-S131 VanDerWaalsContact O-CB 3.28Å; G127-S131 WeakPolarHBondContact O-CB 3.48Å; G127-S131 PolarHBondContact O-N 3.25Å; G127-S131 PolarHBondContact O-OG 3.23Å
128G98.7Very high98.5Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-63.9-40.8174.700000113.3I124 A126 G132I124-G128 PolarHBondContact O-N 2.99Å; I124-G128 VanDerWaalsContact O-N 3.11Å; A126-G128 PolarHBondContact O-N 3.44Å; G128-G132 PolarHBondContact O-N 2.99Å
129S98.9Very high98.5Very high0 Ų020.3 Ų20.30%011%0.112CC..Hα-helixtrans-71.8-39.3179.9-59.50000111.9S125 A126 G132 A133 N146 D167 L310S125-S129 PolarHBondContact O-N 2.9Å; S125-S129 PolarHBondContact O-OG 2.96Å; A126-S129 PolarHBondContact O-N 2.75Å; S129-G132 PolarHBondContact O-N 3.36Å; S129-A133 PolarHBondContact O-N 2.82Å; S129-N146 PolarHBondContact N-ND2 2.86Å; S129-N146 VanDerWaalsContact N-ND2 3.11Å; S129-N146 PolarHBondContact OG-ND2 2.87Å; S129-D167 PolarHBondContact OG-OD2 3.31Å; S129-L310 VanDerWaalsContact OG-CD2 3.22Å; S129-L310 WeakPolarHBondContact OG-CD2 3.24Å
130L98.9Very high98.4Very high10 Ų1022 Ų225%0.05213%0.126CC..Hα-helixtrans-65.3-47173.6-75.2170.3000112.1A71 E75 A126 G132 A133 E134 L170 Q174A71-L130 HydrophobicContact CB-CD1 3.94Å; E75-L130 HydrophobicContact CB-CD1 3.96Å; A126-L130 WeakPolarHBondContact O-CB 3.44Å; A126-L130 WeakPolarHBondContact O-CG 3.46Å; A126-L130 PolarHBondContact O-N 2.86Å; L130-G132 PolarHBondContact O-N 3.05Å; L130-A133 WeakPolarHBondContact O-CB 3.47Å; L130-A133 PolarHBondContact O-N 3.47Å; L130-E134 PolarHBondContact O-N 3.14Å; L130-L170 HydrophobicContact CD2-CB 4.15Å; L130-L170 HydrophobicContact CG-CB 4.48Å; L130-Q174 HydrophobicContact CD2-CB 4.11Å; L130-Q174 HydrophobicContact CD2-CG 4.46Å
131S98.6Very high98.4Very high10 Ų1019.4 Ų19.47%0.0711%0.113CC..Hα-helixtrans-62.4-34.9176.2-54.60000111.2Y26 G127 Q135Y26-S131 VanDerWaalsContact CZ-CB 3.41Å; Y26-S131 VanDerWaalsContact OH-C 3.29Å; Y26-S131 WeakPolarHBondContact OH-CB 3.42Å; Y26-S131 PolarHBondContact OH-O 2.94Å; G127-S131 VanDerWaalsContact O-CB 3.28Å; G127-S131 WeakPolarHBondContact O-CB 3.48Å; G127-S131 PolarHBondContact O-N 3.25Å; G127-S131 PolarHBondContact O-OG 3.23Å; S131-Q135 VanDerWaalsContact O-CG 3.31Å; S131-Q135 WeakPolarHBondContact O-CG 3.28Å; S131-Q135 PolarHBondContact O-N 3.45Å; S131-Q135 VanDerWaalsContact O-N 3.17Å
132G98.6Very high98.4Very high0 Ų020.8 Ų20.80%012%0.12CC..Hα-helixtrans-66.8-43.6173.600000113.5G128 S129 L130 E134 Q135 L136 S144G128-G132 PolarHBondContact O-N 2.99Å; S129-G132 PolarHBondContact O-N 3.36Å; L130-G132 PolarHBondContact O-N 3.05Å; G132-E134 VanDerWaalsContact C-N 3.33Å; G132-E134 PolarHBondContact O-N 2.93Å; G132-Q135 PolarHBondContact O-N 3.32Å; G132-L136 WeakPolarHBondContact O-CG 3.32Å; G132-L136 PolarHBondContact O-N 3.23Å; G132-S144 WeakPolarHBondContact CA-OG 3.43Å
133A98.8Very high98.4Very high0 Ų021 Ų210%012%0.121CC..Hα-helixtrans-60.1-43.5173.900000111.6S129 L130 Q135 L136 I137 A171 Q174 L175S129-A133 PolarHBondContact O-N 2.82Å; L130-A133 WeakPolarHBondContact O-CB 3.47Å; L130-A133 PolarHBondContact O-N 3.47Å; A133-Q135 PolarHBondContact O-N 3.18Å; A133-L136 PolarHBondContact O-N 3.31Å; A133-I137 WeakPolarHBondContact O-CD1 3.43Å; A133-I137 VanDerWaalsContact O-CG1 3.24Å; A133-I137 WeakPolarHBondContact O-CG1 3.28Å; A133-I137 PolarHBondContact O-N 3.4Å; A133-A171 HydrophobicContact CB-CB 4.26Å; A133-Q174 HydrophobicContact CB-CB 4.1Å; A133-Q174 HydrophobicContact CB-CG 4.13Å; A133-L175 HydrophobicContact CB-CD2 3.97Å; A133-L175 HydrophobicContact CB-CG 3.89Å
134E98.4Very high98.4Very high88 Ų8819.5 Ų19.541%0.41112%0.115SC..Hα-helixtrans-59.1-45.2177.6-175.3175.8-160.700112.5L130 G132 L136 I137 N138L130-E134 PolarHBondContact O-N 3.14Å; G132-E134 VanDerWaalsContact C-N 3.33Å; G132-E134 PolarHBondContact O-N 2.93Å; E134-L136 VanDerWaalsContact C-N 3.28Å; E134-L136 PolarHBondContact O-N 3.3Å; E134-I137 PolarHBondContact O-N 3.49Å; E134-N138 WeakPolarHBondContact O-CB 3.44Å; E134-N138 PolarHBondContact O-N 3Å; E134-N138 PolarHBondContact O-ND2 3.4Å
135Q98.1Very high98.4Very high17 Ų1719.4 Ų19.48%0.07911%0.114CC..Hα-helixtrans-62.9-33.9177.9-66.8-73.952.200113Y26 S131 G132 A133 G139 S140 C141Y26-Q135 VanDerWaalsContact OH-CG 3.24Å; Y26-Q135 WeakPolarHBondContact OH-CG 3.1Å; S131-Q135 VanDerWaalsContact O-CG 3.31Å; S131-Q135 WeakPolarHBondContact O-CG 3.28Å; S131-Q135 PolarHBondContact O-N 3.45Å; S131-Q135 VanDerWaalsContact O-N 3.17Å; G132-Q135 PolarHBondContact O-N 3.32Å; A133-Q135 PolarHBondContact O-N 3.18Å; Q135-G139 PolarHBondContact O-N 2.91Å; Q135-S140 PolarHBondContact O-N 3.29Å; Q135-C141 VanDerWaalsContact CB-SG 3.59Å; Q135-C141 PolarHBondContact O-N 3.4Å
136L98.7Very high98.4Very high5 Ų519.5 Ų19.53%0.02611%0.114CC..Hα-helixtrans-73.1-40.2176-65.8169.3000111.6G132 A133 E134 N138 G139 L175 V268 P306 L308G132-L136 WeakPolarHBondContact O-CG 3.32Å; G132-L136 PolarHBondContact O-N 3.23Å; A133-L136 PolarHBondContact O-N 3.31Å; E134-L136 VanDerWaalsContact C-N 3.28Å; E134-L136 PolarHBondContact O-N 3.3Å; L136-N138 VanDerWaalsContact C-N 3.34Å; L136-G139 PolarHBondContact O-N 2.84Å; L136-G139 VanDerWaalsContact O-N 3.16Å; L136-L175 HydrophobicContact CB-CD2 4.18Å; L136-L175 HydrophobicContact CD1-CD2 4.36Å; L136-V268 HydrophobicContact CD1-CG2 4.33Å; L136-P306 HydrophobicContact CD2-CB 4.02Å; L136-L308 HydrophobicContact CD1-CB 3.76Å
137I98.6Very high98.4Very high34 Ų3419.5 Ų19.517%0.17412%0.115CC..Hα-helixtrans-60.3-45.5175.6-71.2162.7000110.8A133 E134 G139 Q174 L175 R178 F179A133-I137 WeakPolarHBondContact O-CD1 3.43Å; A133-I137 VanDerWaalsContact O-CG1 3.24Å; A133-I137 WeakPolarHBondContact O-CG1 3.28Å; A133-I137 PolarHBondContact O-N 3.4Å; E134-I137 PolarHBondContact O-N 3.49Å; I137-G139 PolarHBondContact O-N 2.85Å; I137-Q174 HydrophobicContact CD1-CG 3.81Å; I137-Q174 WeakPolarHBondContact CD1-O 3.41Å; I137-L175 HydrophobicContact CG1-CD2 4.18Å; I137-R178 HydrophobicContact CB-CB 4.32Å; I137-R178 HydrophobicContact CG1-CB 4.01Å; I137-R178 HydrophobicContact CG2-CB 3.79Å; I137-R178 HydrophobicContact CG2-CG 4.14Å; I137-F179 HydrophobicContact CG1-CE2 4.15Å
138N97.9Very high98.4Very high100 Ų10020.1 Ų20.154%0.53512%0.119SC..THydrogen-bonded Turntrans-75.3-6.2179.5-66.3-19.7000113E134 L136 S140E134-N138 WeakPolarHBondContact O-CB 3.44Å; E134-N138 PolarHBondContact O-N 3Å; E134-N138 PolarHBondContact O-ND2 3.4Å; L136-N138 VanDerWaalsContact C-N 3.34Å; N138-S140 PolarHBondContact O-N 3.43Å
139G97.3Very high98.4Very high35 Ų3520.2 Ų20.236%0.36112%0.12SC..THydrogen-bonded Turntrans64.520.8-17600000113.6R22 Q135 L136 I137R22-G139 PolarHBondContact NH1-O 3.3Å; R22-G139 PolarHBondContact NH2-O 2.97Å; Q135-G139 PolarHBondContact O-N 2.91Å; L136-G139 PolarHBondContact O-N 2.84Å; L136-G139 VanDerWaalsContact O-N 3.16Å; I137-G139 PolarHBondContact O-N 2.85Å
140S96.9Very high98.4Very high59 Ų5920.2 Ų20.241%0.41312%0.121SC..SBendtrans-76.6-24.9-178.8-550000112.5Q135 N138Q135-S140 PolarHBondContact O-N 3.29Å; N138-S140 PolarHBondContact O-N 3.43Å
141C97.8Very high98.4Very high4 Ų420.1 Ų20.13%0.02712%0.12CC..  trans-133.6163.6170.771.30000111.7V24 Q135V24-C141 HydrophobicContact CB-CB 4.32Å; V24-C141 HydrophobicContact CG2-CB 3.8Å; Q135-C141 VanDerWaalsContact CB-SG 3.59Å; Q135-C141 PolarHBondContact O-N 3.4Å
142D98.3Very high98.4Very high39 Ų3919.8 Ų19.821%0.20912%0.117CC..SBendtrans-97.5-31.2171.4-47.5-44.3000110.8K21 R22 P306 M307K21-D142 WeakPolarHBondContact CA-OD2 3.35Å; K21-D142 HydrophobicContact CB-CB 4.21Å; K21-D142 HydrophobicContact CD-CB 3.86Å; R22-D142 IonicContact CZ-OD1 3.66Å; R22-D142 PolarHBondContact N-OD2 3.26Å; R22-D142 IonicContact NE-OD1 3.35Å; R22-D142 PolarHBondContact NE-OD1 3.32Å; R22-D142 IonicContact NE-OD2 2.75Å; R22-D142 IonicContact NH2-OD1 3.74Å; R22-D142 PolarHBondContact NH2-OD1 3.45Å; R22-D142 PolarHBondContact O-N 3.19Å; D142-P306 WeakPolarHBondContact O-CA 3.25Å; D142-M307 PolarHBondContact O-N 3.03Å
143I98.6Very high98.4Very high4 Ų419.9 Ų19.92%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-133.4131.2175.6-51.9173.3000109K21 R22 I23 V24 I145 R301 M307 M309 A331K21-I143 HydrophobicContact CB-CD1 4.43Å; K21-I143 HydrophobicContact CG-CD1 4.42Å; R22-I143 PolarHBondContact O-N 3.4Å; I23-I143 WeakPolarHBondContact CA-O 3.24Å; I23-I143 HydrophobicContact CD1-CD1 4.28Å; I23-I143 HydrophobicContact CG1-CB 4.16Å; V24-I143 PolarHBondContact N-O 2.83Å; I143-I145 HydrophobicContact CG2-CG1 4.17Å; I143-R301 HydrophobicContact CD1-CG 4.17Å; I143-M307 CarbonylContact C-O 3.58Å; I143-M307 VanDerWaalsContact CA-O 3.24Å; I143-M307 WeakPolarHBondContact CA-O 3.45Å; I143-M307 HydrophobicContact CB-CE 4.45Å; I143-M307 HydrophobicContact CD1-CE 3.61Å; I143-M307 HydrophobicContact CG1-CB 4.36Å; I143-M307 HydrophobicContact CG1-CE 3.88Å; I143-M307 HydrophobicContact CG2-CB 4.44Å; I143-M307 HydrophobicContact CG2-CE 3.73Å; I143-M309 HydrophobicContact CG2-CG 4.06Å; I143-M309 HydrophobicContact CG2-SD 3.89Å; I143-A331 HydrophobicContact CD1-CB 4.39Å
144S98.7Very high98.4Very high0 Ų019.9 Ų19.90%012%0.118CC..EExtended strand (participates in β ladder)trans-113.5139.6169.1-177.90000109.9V24 Y26 G132 M307 L308 M309V24-S144 CarbonylContact O-C 3.6Å; V24-S144 WeakPolarHBondContact O-CA 3.2Å; Y26-S144 WeakPolarHBondContact CE2-OG 3.14Å; G132-S144 WeakPolarHBondContact CA-OG 3.43Å; S144-M307 PolarHBondContact N-O 3Å; S144-L308 CarbonylContact O-C 3.56Å; S144-L308 WeakPolarHBondContact O-CA 3.32Å; S144-M309 PolarHBondContact O-N 2.79Å
145I98.9Very high98.4Very high0 Ų016.8 Ų16.80%010%0.103CC..EExtended strand (participates in β ladder)trans-124.1125.5-177.1-54.5176.8000109.9I23 V24 Y25 Y26 I143 W147 M309 T328 A331I23-I145 HydrophobicContact CG2-CD1 3.96Å; I23-I145 HydrophobicContact CG2-CG1 4.36Å; V24-I145 PolarHBondContact O-N 3.05Å; Y25-I145 HydrophobicContact CD2-CB 4Å; Y25-I145 HydrophobicContact CD2-CG2 3.85Å; Y25-I145 HydrophobicContact CE2-CG2 4.39Å; Y26-I145 PolarHBondContact N-O 2.92Å; I143-I145 HydrophobicContact CG2-CG1 4.17Å; I145-W147 HydrophobicContact CG2-CD2 3.7Å; I145-W147 HydrophobicContact CG2-CE3 4.31Å; I145-W147 HydrophobicContact CG2-CG 4.12Å; I145-W147 HydrophobicContact CG2-CH2 4.25Å; I145-W147 HydrophobicContact CG2-CZ2 3.6Å; I145-M309 WeakPolarHBondContact CA-O 3.29Å; I145-M309 HydrophobicContact CD1-SD 4.42Å; I145-M309 HydrophobicContact CG1-CB 4.22Å; I145-M309 HydrophobicContact CG1-SD 4.21Å; I145-M309 HydrophobicContact CG2-CB 4.49Å; I145-T328 HydrophobicContact CD1-CG2 4.32Å; I145-A331 HydrophobicContact CD1-CB 3.92Å
146N98.8Very high98.4Very high3 Ų321.1 Ų21.12%0.01612%0.122CC..EExtended strand (participates in β ladder)trans-133.991.6170.8177.429.3000110.9S125 S129 A148 G149 M309 L310 G311S125-N146 PolarHBondContact O-ND2 3.06Å; S129-N146 PolarHBondContact N-ND2 2.86Å; S129-N146 VanDerWaalsContact N-ND2 3.11Å; S129-N146 PolarHBondContact OG-ND2 2.87Å; N146-A148 PolarHBondContact O-N 3.4Å; N146-A148 WeakPolarHBondContact OD1-CB 3.28Å; N146-A148 PolarHBondContact OD1-N 3.31Å; N146-G149 PolarHBondContact ND2-N 2.97Å; N146-G149 PolarHBondContact O-N 2.98Å; N146-G149 VanDerWaalsContact O-N 3.17Å; N146-M309 PolarHBondContact N-O 3.27Å; N146-L310 HydrophobicContact CB-CD2 3.97Å; N146-L310 WeakPolarHBondContact O-CA 3.41Å; N146-G311 PolarHBondContact O-N 3.25Å
147W98.8Very high98.4Very high1 Ų122.8 Ų22.80%0.00413%0.133CC..THydrogen-bonded Turntrans-69.4-12.2179.7-61.5135.6000114.3Y25 V47 I145 C273 M309 L310 W324 E327 T328Y25-W147 AromaticContact CE2-CD1 3.47Å; Y25-W147 VanDerWaalsContact CE2-CD1 3.47Å; Y25-W147 HydrophobicContact CE2-CG 4.37Å; Y25-W147 AromaticContact CE2-NE1 3.96Å; V47-W147 HydrophobicContact CG1-CB 4.42Å; I145-W147 HydrophobicContact CG2-CD2 3.7Å; I145-W147 HydrophobicContact CG2-CE3 4.31Å; I145-W147 HydrophobicContact CG2-CG 4.12Å; I145-W147 HydrophobicContact CG2-CH2 4.25Å; I145-W147 HydrophobicContact CG2-CZ2 3.6Å; W147-C273 HydrophobicContact CZ3-CB 3.91Å; W147-M309 HydrophobicContact CH2-CE 3.68Å; W147-M309 HydrophobicContact CZ2-CE 4.4Å; W147-M309 HydrophobicContact CZ3-CE 4.5Å; W147-L310 WeakPolarHBondContact CZ3-O 3.43Å; W147-W324 HydrophobicContact CB-CD2 4.18Å; W147-W324 HydrophobicContact CB-CE3 3.72Å; W147-W324 HydrophobicContact CB-CZ3 4Å; W147-W324 HydrophobicContact CD2-CB 3.82Å; W147-W324 HydrophobicContact CD2-CD2 4.1Å; W147-W324 HydrophobicContact CD2-CE3 4.49Å; W147-W324 AromaticContact CD2-CG 3.82Å; W147-W324 HydrophobicContact CD2-CG 3.82Å; W147-W324 HydrophobicContact CE3-CB 4.2Å; W147-W324 AromaticContact CE3-CD1 3.75Å; W147-W324 AromaticContact CE3-CD2 4Å; W147-W324 HydrophobicContact CE3-CD2 4Å; W147-W324 AromaticContact CE3-CG 3.75Å; W147-W324 HydrophobicContact CE3-CG 3.75Å; W147-W324 HydrophobicContact CG-CB 4.15Å; W147-W324 HydrophobicContact CG-CD2 4.2Å; W147-W324 HydrophobicContact CG-CE3 4.11Å; W147-W324 HydrophobicContact CG-CG 4.27Å; W147-W324 HydrophobicContact CH2-CB 4.45Å; W147-W324 HydrophobicContact CH2-CG 4.48Å; W147-W324 HydrophobicContact CZ2-CB 4.12Å; W147-W324 WeakPolarHBondContact CZ2-O 3.07Å; W147-W324 AromaticContact CZ3-CD1 3.73Å; W147-W324 HydrophobicContact CZ3-CG 4.11Å; W147-W324 VanDerWaalsContact O-CH2 3.3Å; W147-W324 WeakPolarHBondContact O-CH2 3.33Å; W147-W324 WeakPolarHBondContact O-CZ3 3.23Å; W147-E327 HydrophobicContact CH2-CB 3.84Å; W147-E327 HydrophobicContact CZ2-CB 4.13Å; W147-T328 WeakPolarHBondContact CZ2-OG1 3.47Å; W147-T328 PolarHBondContact NE1-OG1 3.46Å
148A98.4Very high98.3Very high13 Ų1325.5 Ų25.511%0.10715%0.145CC..THydrogen-bonded Turntrans-80.7-18.3173.900000113.2V31 V47 S125 N146V31-A148 HydrophobicContact CG2-CB 3.78Å; V47-A148 HydrophobicContact CG1-CB 4.43Å; S125-A148 VanDerWaalsContact CB-O 3.32Å; S125-A148 WeakPolarHBondContact CB-O 3.44Å; N146-A148 PolarHBondContact O-N 3.4Å; N146-A148 WeakPolarHBondContact OD1-CB 3.28Å; N146-A148 PolarHBondContact OD1-N 3.31Å
149G98.6Very high98.4Very high2 Ų220.8 Ų20.82%0.02112%0.12CC..  trans-86.8-166.8177.500000113.3N146 D167 G311 G312N146-G149 PolarHBondContact ND2-N 2.97Å; N146-G149 PolarHBondContact O-N 2.98Å; N146-G149 VanDerWaalsContact O-N 3.17Å; G149-D167 WeakPolarHBondContact CA-OD2 3.44Å; G149-G311 CarbonylContact O-C 3.54Å; G149-G311 VanDerWaalsContact O-C 3.27Å; G149-G311 WeakPolarHBondContact O-CA 3.47Å; G149-G311 PolarHBondContact O-N 3.44Å; G149-G312 PolarHBondContact O-N 3.05Å
150G98.7Very high98.4Very high1 Ų120 Ų201%0.0111%0.109CC..  trans9521.4178.900000114.2H152 D167G150-H152 VanDerWaalsContact C-N 3.25Å; G150-H152 PolarHBondContact O-N 2.86Å; G150-D167 VanDerWaalsContact N-CG 3.35Å; G150-D167 PolarHBondContact N-OD1 2.82Å; G150-D167 PolarHBondContact N-OD2 3.19Å
151L98.6Very high98.4Very high7 Ų717.5 Ų17.54%0.0379%0.092CC..  trans-81.167.9-175.1-61.7-177.8000111.5F121 H153 C163 V165 D167F121-L151 HydrophobicContact CE1-CD1 4.41Å; L151-H153 VanDerWaalsContact C-N 3.34Å; L151-H153 PolarHBondContact O-N 3.19Å; L151-C163 WeakPolarHBondContact CA-SG 3.46Å; L151-C163 HydrophobicContact CB-CB 3.84Å; L151-V165 WeakPolarHBondContact CB-O 3.39Å; L151-D167 PolarHBondContact N-OD1 2.86Å
152H98.8Very high98.5Very high3 Ų317.9 Ų17.91%0.0149%0.094CC..THydrogen-bonded Turntrans-71.7-13.8-165.464174.9000116.9G150 N166 I168 D186 D188 H190 G192 G194 V195G150-H152 VanDerWaalsContact C-N 3.25Å; G150-H152 PolarHBondContact O-N 2.86Å; H152-N166 PolarHBondContact O-ND2 2.85Å; H152-I168 HydrophobicContact CB-CD1 3.5Å; H152-D186 IonicContact CE1-OD2 3.96Å; H152-D186 IonicContact CG-OD2 2.79Å; H152-D186 IonicContact ND1-OD1 3.39Å; H152-D186 IonicContact ND1-OD2 3.7Å; H152-D186 PolarHBondContact ND1-OD2 3.23Å; H152-D188 VanDerWaalsContact CE1-CB 3.47Å; H152-D188 WeakPolarHBondContact CE1-CB 3.49Å; H152-D188 IonicContact CE1-OD1 2.74Å; H152-D188 IonicContact CE1-OD2 3.91Å; H152-D188 IonicContact NE2-OD1 3.3Å; H152-D188 IonicContact NE2-OD2 3.93Å; H152-H190 PolarHBondContact CE1-O 2.74Å; H152-G192 VanDerWaalsContact ND1-CA 3.32Å; H152-G192 WeakPolarHBondContact ND1-CA 3.4Å; H152-G194 WeakPolarHBondContact O-CA 3.49Å; H152-G194 PolarHBondContact O-N 2.82Å; H152-V195 HydrophobicContact CB-CG2 3.88Å; H152-V195 PolarHBondContact O-N 3Å
153H98.8Very high98.5Very high2 Ų216.3 Ų16.31%0.0099%0.086CC..THydrogen-bonded Turntrans-86.7-23.2-176.8-67.9-52.2000113.5L151 K155 S160 G161 C163 H190 H191 D193 F217L151-H153 VanDerWaalsContact C-N 3.34Å; L151-H153 PolarHBondContact O-N 3.19Å; H153-K155 WeakPolarHBondContact O-CD 3.31Å; H153-K155 WeakPolarHBondContact O-CE 3.34Å; H153-K155 PolarHBondContact O-N 2.88Å; H153-S160 WeakPolarHBondContact CB-O 3.45Å; H153-S160 WeakPolarHBondContact O-CB 3.39Å; H153-G161 PolarHBondContact CD2-O 3.38Å; H153-C163 HydrophobicContact CB-CB 4.04Å; H153-H190 WeakPolarHBondContact NE2-CB 3.18Å; H153-H191 PolarHBondContact CE1-O 3.36Å; H153-H191 PolarHBondContact ND1-O 3.42Å; H153-D193 WeakPolarHBondContact CA-OD1 3.47Å; H153-D193 IonicContact CE1-OD1 3.33Å; H153-D193 IonicContact CG-OD1 3.9Å; H153-D193 IonicContact ND1-OD1 3.39Å; H153-D193 PolarHBondContact ND1-OD1 2.85Å; H153-F217 AromaticContact CD2-CE1 3.74Å; H153-F217 AromaticContact CE1-CE1 3.61Å; H153-F217 AromaticContact CG-CE1 3.92Å; H153-F217 AromaticContact ND1-CE1 3.83Å; H153-F217 AromaticContact NE2-CE1 3.5Å; H153-F217 WeakPolarHBondContact NE2-CE1 3.46Å
154A98.6Very high98.5Very high0 Ų016.1 Ų16.10%09%0.085CC..  trans-58.3129.3-17700000110.5C163 N166A154-C163 HydrophobicContact CB-CB 3.74Å; A154-N166 HydrophobicContact CB-CB 3.93Å; A154-N166 WeakPolarHBondContact O-CB 3.29Å; A154-N166 PolarHBondContact O-ND2 2.98Å
155K98.5Very high98.5Very high24 Ų2416.1 Ų16.110%0.1049%0.085CC..  trans-95.9173.7-178.8-54.8-58.3-175.3158.90110.4H80 H153 C157 E158 D193 E197H80-K155 PolarHBondContact CE1-O 3.29Å; H80-K155 PolarHBondContact ND1-O 3.46Å; H153-K155 WeakPolarHBondContact O-CD 3.31Å; H153-K155 WeakPolarHBondContact O-CE 3.34Å; H153-K155 PolarHBondContact O-N 2.88Å; K155-C157 PolarHBondContact O-N 3.13Å; K155-E158 HydrophobicContact CB-CB 4.15Å; K155-E158 PolarHBondContact N-O 3.45Å; K155-D193 WeakPolarHBondContact CE-OD2 3.36Å; K155-D193 VanDerWaalsContact NZ-C 3.27Å; K155-D193 VanDerWaalsContact NZ-CG 3.27Å; K155-D193 PolarHBondContact NZ-O 2.99Å; K155-D193 VanDerWaalsContact NZ-O 3.14Å; K155-D193 IonicContact NZ-OD1 2.67Å; K155-D193 IonicContact NZ-OD2 2.89Å; K155-D193 PolarHBondContact NZ-OD2 2.86Å; K155-E197 WeakPolarHBondContact CD-OE2 3.33Å; K155-E197 WeakPolarHBondContact CE-OE2 3.41Å; K155-E197 IonicContact NZ-OE2 3.56Å; K155-E197 PolarHBondContact NZ-OE2 3.48Å
156K98.3Very high98.5Very high108 Ų10816.1 Ų16.147%0.479%0.085SC..SBendtrans-54.5-38.7-179.1-166.4173.1-176.1170.30112.9Y79 H80 T81Y79-K156 HydrophobicContact CD2-CG 4.43Å; Y79-K156 HydrophobicContact CE2-CB 4.09Å; Y79-K156 HydrophobicContact CE2-CG 4.14Å; Y79-K156 VanDerWaalsContact O-CE 3.23Å; Y79-K156 WeakPolarHBondContact O-CE 3.15Å; Y79-K156 VanDerWaalsContact O-CG 3.28Å; Y79-K156 WeakPolarHBondContact O-CG 3.31Å; Y79-K156 PolarHBondContact OH-N 3.04Å; H80-K156 VanDerWaalsContact CA-O 3.24Å; H80-K156 WeakPolarHBondContact CA-O 3.41Å; H80-K156 PolarHBondContact ND1-O 3.37Å; H80-K156 VanDerWaalsContact ND1-O 3.15Å; T81-K156 HydrophobicContact CG2-CG 4.48Å; T81-K156 PolarHBondContact N-O 3.17Å
157C97.8Very high98.5Very high40 Ų4016 Ų1627%0.278%0.084SC..SBendtrans-129.910-174.4-45.70000113.3T81 Y84 F106 K155T81-C157 WeakPolarHBondContact CG2-SG 3.49Å; Y84-C157 WeakPolarHBondContact CD2-O 3.36Å; F106-C157 WeakPolarHBondContact CD1-O 3.28Å; K155-C157 PolarHBondContact O-N 3.13Å
158E98Very high98.5Very high91 Ų9115.9 Ų15.943%0.4258%0.084SC..  trans-144.4139.5-168.9-60.7175.3-169.500110.9F106 N107 K155F106-E158 WeakPolarHBondContact O-CA 3.49Å; N107-E158 HydrophobicContact CB-CB 4.11Å; N107-E158 HydrophobicContact CB-CG 4.48Å; K155-E158 HydrophobicContact CB-CB 4.15Å; K155-E158 PolarHBondContact N-O 3.45Å
159A98.5Very high98.5Very high0 Ų015.3 Ų15.30%08%0.079CC..  trans-74.2146.4165.100000109.4Y84 F106 N107 F108 C112 C163 Y164Y84-A159 PolarHBondContact OH-N 3.22Å; F106-A159 PolarHBondContact O-N 3.12Å; N107-A159 WeakPolarHBondContact CB-O 3.39Å; N107-A159 PolarHBondContact ND2-O 3.38Å; F108-A159 HydrophobicContact CD2-CB 4.32Å; F108-A159 HydrophobicContact CE2-CB 3.99Å; F108-A159 HydrophobicContact CZ-CB 4.23Å; C112-A159 HydrophobicContact CB-CB 3.74Å; A159-C163 VanDerWaalsContact CA-O 3.3Å; A159-C163 WeakPolarHBondContact CA-O 3.34Å; A159-Y164 HydrophobicContact CB-CD1 3.74Å; A159-Y164 HydrophobicContact CB-CE1 4.23Å
160S98.3Very high98.5Very high18 Ų1815.3 Ų15.313%0.1268%0.078CC..BIsolated β-bridgetrans-160.4144.1178.6-178.60000110H153 F162 C163H153-S160 WeakPolarHBondContact CB-O 3.45Å; H153-S160 WeakPolarHBondContact O-CB 3.39Å; S160-F162 VanDerWaalsContact C-N 3.34Å; S160-F162 PolarHBondContact O-N 3.41Å; S160-C163 PolarHBondContact N-O 3.46Å; S160-C163 WeakPolarHBondContact O-CA 3.36Å; S160-C163 VanDerWaalsContact O-CB 3.24Å; S160-C163 WeakPolarHBondContact O-CB 3.22Å; S160-C163 PolarHBondContact O-N 3.13Å
161G97.4Very high98.5Very high7 Ų715.3 Ų15.37%0.0728%0.078CC..THydrogen-bonded Turntrans51.748.5171.100000113.6H153 C163H153-G161 PolarHBondContact CD2-O 3.38Å; G161-C163 PolarHBondContact O-N 2.92Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-C163 PolarHBondContact O-SG 3.5Å
162F98.1Very high98.5Very high13 Ų1315 Ų156%0.0578%0.076CC..THydrogen-bonded Turntrans68.43.2-177.5-40.5-34.5000115.5Y36 H40 P41 M42 D111 S160 L283 Y315Y36-F162 HydrophobicContact CE1-CB 3.92Å; Y36-F162 WeakPolarHBondContact CE1-O 3.44Å; Y36-F162 PolarHBondContact OH-O 2.95Å; H40-F162 AromaticContact CE1-CD1 3.37Å; H40-F162 WeakPolarHBondContact CE1-CD1 3.48Å; H40-F162 AromaticContact CE1-CE1 3.56Å; H40-F162 AromaticContact CE1-CG 3.79Å; H40-F162 AromaticContact NE2-CD1 3.39Å; H40-F162 WeakPolarHBondContact NE2-CD1 3.44Å; H40-F162 AromaticContact NE2-CE1 3.41Å; H40-F162 WeakPolarHBondContact NE2-CE1 3.28Å; P41-F162 HydrophobicContact CG-CE1 4.27Å; P41-F162 HydrophobicContact CG-CE2 3.91Å; P41-F162 HydrophobicContact CG-CZ 3.52Å; M42-F162 HydrophobicContact CB-CB 4.43Å; M42-F162 HydrophobicContact CB-CD2 4.36Å; M42-F162 HydrophobicContact CB-CG 4.4Å; M42-F162 HydrophobicContact CE-CB 4Å; M42-F162 HydrophobicContact CE-CD2 4.07Å; M42-F162 HydrophobicContact CE-CG 4.48Å; D111-F162 HydrophobicContact CB-CD1 3.84Å; D111-F162 HydrophobicContact CB-CE1 3.68Å; D111-F162 WeakPolarHBondContact O-CD1 3.48Å; S160-F162 VanDerWaalsContact C-N 3.34Å; S160-F162 PolarHBondContact O-N 3.41Å; F162-L283 HydrophobicContact CE2-CD1 3.7Å; F162-L283 HydrophobicContact CZ-CD1 3.86Å; F162-Y315 HydrophobicContact CD2-CD1 4.46Å; F162-Y315 AromaticContact CD2-CE1 3.41Å; F162-Y315 HydrophobicContact CD2-CE1 3.41Å; F162-Y315 VanDerWaalsContact CD2-CE1 3.41Å; F162-Y315 AromaticContact CD2-CZ 3.74Å; F162-Y315 WeakPolarHBondContact CD2-OH 3.19Å; F162-Y315 HydrophobicContact CE2-CD1 4.11Å; F162-Y315 AromaticContact CE2-CE1 3.31Å; F162-Y315 HydrophobicContact CE2-CE1 3.31Å; F162-Y315 AromaticContact CE2-CZ 3.55Å
163C98.6Very high98.5Very high5 Ų517.7 Ų17.73%0.0349%0.091CC..BIsolated β-bridgetrans-108.4130.1-174.7-57.30000111L151 H153 A154 A159 S160 G161L151-C163 WeakPolarHBondContact CA-SG 3.46Å; L151-C163 HydrophobicContact CB-CB 3.84Å; H153-C163 HydrophobicContact CB-CB 4.04Å; A154-C163 HydrophobicContact CB-CB 3.74Å; A159-C163 VanDerWaalsContact CA-O 3.3Å; A159-C163 WeakPolarHBondContact CA-O 3.34Å; S160-C163 PolarHBondContact N-O 3.46Å; S160-C163 WeakPolarHBondContact O-CA 3.36Å; S160-C163 VanDerWaalsContact O-CB 3.24Å; S160-C163 WeakPolarHBondContact O-CB 3.22Å; S160-C163 PolarHBondContact O-N 3.13Å; G161-C163 PolarHBondContact O-N 2.92Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-C163 PolarHBondContact O-SG 3.5Å
164Y98.7Very high98.5Very high0 Ų019.8 Ų19.80%010%0.1CC..SBendtrans-108.8-37.8-179.9-55.4-86.4000113.2Y36 Y84 F108 C112 P113 F115 L118 A159Y36-Y164 AromaticContact CE1-CE2 3.74Å; Y36-Y164 HydrophobicContact CE1-CE2 3.74Å; Y36-Y164 AromaticContact CZ-CE2 3.72Å; Y84-Y164 VanDerWaalsContact CE1-O 3.27Å; Y84-Y164 WeakPolarHBondContact CE1-O 3.41Å; Y84-Y164 PolarHBondContact OH-O 3.33Å; F108-Y164 HydrophobicContact CD1-CE1 4.05Å; F108-Y164 AromaticContact CE1-CD1 3.58Å; F108-Y164 HydrophobicContact CE1-CD1 3.58Å; F108-Y164 AromaticContact CE1-CE1 3.44Å; F108-Y164 HydrophobicContact CE1-CE1 3.44Å; F108-Y164 VanDerWaalsContact CE1-CE1 3.44Å; F108-Y164 AromaticContact CZ-CD1 3.63Å; F108-Y164 HydrophobicContact CZ-CD1 3.63Å; F108-Y164 AromaticContact CZ-CE1 3.99Å; F108-Y164 HydrophobicContact CZ-CE1 3.99Å; C112-Y164 WeakPolarHBondContact CA-OH 3.3Å; C112-Y164 HydrophobicContact CB-CE1 3.73Å; P113-Y164 VanDerWaalsContact CD-OH 3.31Å; P113-Y164 WeakPolarHBondContact CD-OH 3.28Å; P113-Y164 VanDerWaalsContact N-OH 3.17Å; P113-Y164 PolarHBondContact O-OH 3.13Å; F115-Y164 AromaticContact CE1-CE2 3.88Å; F115-Y164 HydrophobicContact CE1-CE2 3.88Å; F115-Y164 HydrophobicContact CZ-CE2 4.32Å; L118-Y164 HydrophobicContact CD1-CD1 3.83Å; L118-Y164 HydrophobicContact CD1-CD2 3.57Å; L118-Y164 HydrophobicContact CD1-CE1 3.85Å; L118-Y164 HydrophobicContact CD1-CE2 3.6Å; L118-Y164 HydrophobicContact CD1-CG 3.7Å; L118-Y164 HydrophobicContact CD2-CD1 4.3Å; L118-Y164 HydrophobicContact CD2-CE1 4.36Å; A159-Y164 HydrophobicContact CB-CD1 3.74Å; A159-Y164 HydrophobicContact CB-CE1 4.23Å
165V98.8Very high98.6Very high0 Ų019.8 Ų19.80%010%0.1CC..SBendtrans-126.5133.9176.5166.20000108.5I76 H80 L88 C122 A126 L151 D167 L170I76-V165 HydrophobicContact CG2-CG1 4.03Å; I76-V165 HydrophobicContact CG2-CG2 3.89Å; H80-V165 WeakPolarHBondContact NE2-CA 3.31Å; L88-V165 HydrophobicContact CD1-CG2 3.77Å; C122-V165 HydrophobicContact CB-CB 4.03Å; C122-V165 HydrophobicContact CB-CG2 3.7Å; A126-V165 HydrophobicContact CB-CG1 4.12Å; L151-V165 WeakPolarHBondContact CB-O 3.39Å; V165-D167 PolarHBondContact O-N 3.44Å; V165-L170 HydrophobicContact CG1-CD1 3.79Å
166N98.8Very high98.6Very high0 Ų019.8 Ų19.80%010%0.101CC..  trans-88.884.8-179.6-160.5-45.9000109.8Y79 H80 H152 A154 I168 V169 L170Y79-N166 HydrophobicContact CD1-CB 4.11Å; Y79-N166 HydrophobicContact CE1-CB 3.83Å; H80-N166 PolarHBondContact NE2-N 2.94Å; H152-N166 PolarHBondContact O-ND2 2.85Å; A154-N166 HydrophobicContact CB-CB 3.93Å; A154-N166 WeakPolarHBondContact O-CB 3.29Å; A154-N166 PolarHBondContact O-ND2 2.98Å; N166-I168 PolarHBondContact O-N 3.11Å; N166-I168 WeakPolarHBondContact OD1-CB 3.45Å; N166-I168 PolarHBondContact OD1-N 3.41Å; N166-V169 HydrophobicContact CB-CB 4.2Å; N166-V169 HydrophobicContact CB-CG2 4.19Å; N166-V169 VanDerWaalsContact CG-CG2 3.45Å; N166-V169 PolarHBondContact O-N 3.44Å; N166-V169 VanDerWaalsContact OD1-CG2 3.3Å; N166-V169 WeakPolarHBondContact OD1-CG2 3.11Å; N166-V169 PolarHBondContact OD1-N 3.47Å; N166-L170 WeakPolarHBondContact O-CG 3.46Å; N166-L170 PolarHBondContact O-N 3.42Å
167D98.9Very high98.6Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-61.9-29.6-179.968.9-71.1000112.7A126 S129 G149 G150 L151 V165 A171A126-D167 HydrophobicContact CB-CB 4.33Å; S129-D167 PolarHBondContact OG-OD2 3.31Å; G149-D167 WeakPolarHBondContact CA-OD2 3.44Å; G150-D167 VanDerWaalsContact N-CG 3.35Å; G150-D167 PolarHBondContact N-OD1 2.82Å; G150-D167 PolarHBondContact N-OD2 3.19Å; L151-D167 PolarHBondContact N-OD1 2.86Å; V165-D167 PolarHBondContact O-N 3.44Å; D167-A171 WeakPolarHBondContact O-CB 3.13Å; D167-A171 PolarHBondContact O-N 3.16Å
168I98.9Very high98.6Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-64.7-50.2177.2-61.2152.8000110.3H152 N166 L170 A171 I172 Y184 V195 V270 Q272 L310H152-I168 HydrophobicContact CB-CD1 3.5Å; N166-I168 PolarHBondContact O-N 3.11Å; N166-I168 WeakPolarHBondContact OD1-CB 3.45Å; N166-I168 PolarHBondContact OD1-N 3.41Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.29Å; I168-A171 PolarHBondContact O-N 3.27Å; I168-I172 HydrophobicContact CG2-CD1 3.73Å; I168-I172 HydrophobicContact CG2-CG1 4.37Å; I168-I172 VanDerWaalsContact O-CG1 3.3Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 2.96Å; I168-Y184 HydrophobicContact CD1-CE2 4.24Å; I168-Y184 HydrophobicContact CG1-CE2 4.49Å; I168-Y184 HydrophobicContact CG2-CD2 3.8Å; I168-Y184 HydrophobicContact CG2-CE2 3.52Å; I168-V195 HydrophobicContact CB-CG2 3.9Å; I168-V195 HydrophobicContact CD1-CG2 3.81Å; I168-V195 HydrophobicContact CG1-CG2 4.49Å; I168-V195 HydrophobicContact CG2-CB 4.49Å; I168-V195 HydrophobicContact CG2-CG1 3.87Å; I168-V195 HydrophobicContact CG2-CG2 3.72Å; I168-V270 HydrophobicContact CG2-CG1 4.17Å; I168-Q272 HydrophobicContact CD1-CG 4.17Å; I168-L310 HydrophobicContact CB-CD1 4.29Å; I168-L310 HydrophobicContact CG1-CD1 3.47Å; I168-L310 VanDerWaalsContact CG1-CD1 3.47Å
169V98.9Very high98.6Very high1 Ų120 Ų201%0.00610%0.1CC..Hα-helixtrans-61.8-43.4179.4173.20000110.6Y79 N166 A171 I172 L173 V195 A198 F199Y79-V169 HydrophobicContact CD1-CB 4.05Å; Y79-V169 HydrophobicContact CD1-CG1 3.79Å; Y79-V169 HydrophobicContact CD2-CG1 3.5Å; Y79-V169 HydrophobicContact CE1-CB 4.21Å; Y79-V169 HydrophobicContact CE1-CG1 4.1Å; Y79-V169 HydrophobicContact CE1-CG2 4.31Å; Y79-V169 HydrophobicContact CE2-CG1 3.85Å; Y79-V169 HydrophobicContact CG-CB 4.23Å; Y79-V169 HydrophobicContact CG-CG1 3.47Å; Y79-V169 VanDerWaalsContact CG-CG1 3.47Å; N166-V169 HydrophobicContact CB-CB 4.2Å; N166-V169 HydrophobicContact CB-CG2 4.19Å; N166-V169 VanDerWaalsContact CG-CG2 3.45Å; N166-V169 PolarHBondContact O-N 3.44Å; N166-V169 VanDerWaalsContact OD1-CG2 3.3Å; N166-V169 WeakPolarHBondContact OD1-CG2 3.11Å; N166-V169 PolarHBondContact OD1-N 3.47Å; V169-A171 PolarHBondContact O-N 3.26Å; V169-I172 PolarHBondContact O-N 2.99Å; V169-L173 HydrophobicContact CG1-CD1 4.05Å; V169-L173 HydrophobicContact CG1-CG 4.32Å; V169-L173 WeakPolarHBondContact O-CB 3.36Å; V169-L173 VanDerWaalsContact O-CG 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.38Å; V169-L173 PolarHBondContact O-N 3.17Å; V169-V195 HydrophobicContact CG2-CB 4.48Å; V169-V195 HydrophobicContact CG2-CG1 4.42Å; V169-V195 HydrophobicContact CG2-CG2 4.37Å; V169-A198 HydrophobicContact CB-CB 4.41Å; V169-A198 HydrophobicContact CG1-CB 3.9Å; V169-A198 HydrophobicContact CG2-CB 3.52Å; V169-F199 HydrophobicContact CB-CE2 4.28Å; V169-F199 HydrophobicContact CB-CZ 4.45Å; V169-F199 HydrophobicContact CG1-CE2 4.13Å; V169-F199 HydrophobicContact CG1-CZ 3.91Å; V169-F199 HydrophobicContact CG2-CE2 3.92Å
170L98.9Very high98.6Very high2 Ų221.6 Ų21.61%0.0111%0.107CC..Hα-helixtrans-59.4-45.5175.8-67.1174000112.1E75 I76 K78 A126 L130 V165 N166 I168 L173 Q174E75-L170 WeakPolarHBondContact O-CD2 3.21Å; I76-L170 HydrophobicContact CG1-CD1 4.32Å; K78-L170 HydrophobicContact CB-CD2 4.2Å; A126-L170 HydrophobicContact CB-CD1 4.01Å; L130-L170 HydrophobicContact CD2-CB 4.15Å; L130-L170 HydrophobicContact CG-CB 4.48Å; V165-L170 HydrophobicContact CG1-CD1 3.79Å; N166-L170 WeakPolarHBondContact O-CG 3.46Å; N166-L170 PolarHBondContact O-N 3.42Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.29Å; L170-L173 PolarHBondContact O-N 3.33Å; L170-Q174 PolarHBondContact O-N 3.27Å
171A98.9Very high98.6Very high0 Ų022.9 Ų22.90%011%0.109CC..Hα-helixtrans-64.8-41.8176.800000112.3A133 D167 I168 V169 Q174 L175 L308A133-A171 HydrophobicContact CB-CB 4.26Å; D167-A171 WeakPolarHBondContact O-CB 3.13Å; D167-A171 PolarHBondContact O-N 3.16Å; I168-A171 PolarHBondContact O-N 3.27Å; V169-A171 PolarHBondContact O-N 3.26Å; A171-Q174 WeakPolarHBondContact O-CB 3.33Å; A171-Q174 PolarHBondContact O-N 3.46Å; A171-L175 VanDerWaalsContact O-CG 3.3Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.49Å; A171-L308 HydrophobicContact CB-CD2 3.69Å
172I98.9Very high98.7Very high0 Ų022.6 Ų22.60%011%0.106CC..Hα-helixtrans-64-43.9176.9-68.9172.1000110.8I168 V169 Q174 L175 L176 V182 Y184 V195 F199 V205 V270I168-I172 HydrophobicContact CG2-CD1 3.73Å; I168-I172 HydrophobicContact CG2-CG1 4.37Å; I168-I172 VanDerWaalsContact O-CG1 3.3Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 2.96Å; V169-I172 PolarHBondContact O-N 2.99Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 3.4Å; I172-L175 PolarHBondContact O-N 2.94Å; I172-L175 VanDerWaalsContact O-N 3.16Å; I172-L176 HydrophobicContact CG2-CD1 4.1Å; I172-L176 HydrophobicContact CG2-CG 4.3Å; I172-L176 VanDerWaalsContact O-CG 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.29Å; I172-L176 PolarHBondContact O-N 3.38Å; I172-V182 HydrophobicContact CG1-CG1 4.1Å; I172-V182 HydrophobicContact CG2-CB 4.3Å; I172-V182 HydrophobicContact CG2-CG1 4.15Å; I172-V182 HydrophobicContact CG2-CG2 4.4Å; I172-Y184 HydrophobicContact CD1-CD2 4.35Å; I172-Y184 HydrophobicContact CD1-CG 4.44Å; I172-V195 HydrophobicContact CD1-CG1 4.11Å; I172-F199 HydrophobicContact CB-CE2 3.88Å; I172-F199 HydrophobicContact CB-CZ 3.68Å; I172-F199 HydrophobicContact CD1-CD2 4.39Å; I172-F199 HydrophobicContact CD1-CE2 3.76Å; I172-F199 HydrophobicContact CD1-CZ 4.44Å; I172-F199 HydrophobicContact CG1-CE2 4.42Å; I172-F199 HydrophobicContact CG2-CD2 4.49Å; I172-F199 HydrophobicContact CG2-CE1 3.88Å; I172-F199 HydrophobicContact CG2-CE2 3.67Å; I172-F199 HydrophobicContact CG2-CZ 3.3Å; I172-V205 HydrophobicContact CD1-CG1 4.4Å; I172-V205 HydrophobicContact CG2-CG1 4.12Å; I172-V205 HydrophobicContact CG2-CG2 3.58Å; I172-V270 HydrophobicContact CD1-CG2 4.5Å; I172-V270 HydrophobicContact CG1-CB 4.38Å; I172-V270 HydrophobicContact CG1-CG2 3.83Å
173L98.9Very high98.7Very high61 Ų6122 Ų2232%0.31910%0.103SC..Hα-helixtrans-58.8-39.6175.1-71.2172.9000111.6V169 L170 L176 F199V169-L173 HydrophobicContact CG1-CD1 4.05Å; V169-L173 HydrophobicContact CG1-CG 4.32Å; V169-L173 WeakPolarHBondContact O-CB 3.36Å; V169-L173 VanDerWaalsContact O-CG 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.38Å; V169-L173 PolarHBondContact O-N 3.17Å; L170-L173 PolarHBondContact O-N 3.33Å; L173-L176 PolarHBondContact O-N 3.22Å; L173-F199 HydrophobicContact CD2-CE1 4.11Å; L173-F199 HydrophobicContact CD2-CZ 4.43Å; L173-F199 HydrophobicContact CG-CZ 4.38Å
174Q98.8Very high98.7Very high45 Ų4521.8 Ų21.821%0.2110%0.102CC..Hα-helixtrans-66.5-45.6174.1-16977.64.300111.2L130 A133 I137 L170 A171 I172 L176 T177L130-Q174 HydrophobicContact CD2-CB 4.11Å; L130-Q174 HydrophobicContact CD2-CG 4.46Å; A133-Q174 HydrophobicContact CB-CB 4.1Å; A133-Q174 HydrophobicContact CB-CG 4.13Å; I137-Q174 HydrophobicContact CD1-CG 3.81Å; I137-Q174 WeakPolarHBondContact CD1-O 3.41Å; L170-Q174 PolarHBondContact O-N 3.27Å; A171-Q174 WeakPolarHBondContact O-CB 3.33Å; A171-Q174 PolarHBondContact O-N 3.46Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 3.4Å; Q174-L176 VanDerWaalsContact C-N 3.26Å; Q174-L176 PolarHBondContact O-N 3.23Å; Q174-T177 WeakPolarHBondContact O-CB 3.43Å; Q174-T177 WeakPolarHBondContact O-CG2 3.37Å; Q174-T177 PolarHBondContact O-N 3.35Å; Q174-T177 VanDerWaalsContact O-N 3.13Å; Q174-T177 PolarHBondContact O-OG1 3.39Å
175L98.9Very high98.8Very high0 Ų021.8 Ų21.80%010%0.102CC..Hα-helixtrans-59.7-35.8176.8-71.8170.7000112.4A133 L136 I137 A171 I172 T177 R178 F179 V182 V268 V270A133-L175 HydrophobicContact CB-CD2 3.97Å; A133-L175 HydrophobicContact CB-CG 3.89Å; L136-L175 HydrophobicContact CB-CD2 4.18Å; L136-L175 HydrophobicContact CD1-CD2 4.36Å; I137-L175 HydrophobicContact CG1-CD2 4.18Å; A171-L175 VanDerWaalsContact O-CG 3.3Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.49Å; I172-L175 PolarHBondContact O-N 2.94Å; I172-L175 VanDerWaalsContact O-N 3.16Å; L175-T177 PolarHBondContact O-N 2.95Å; L175-T177 VanDerWaalsContact O-N 3.13Å; L175-R178 PolarHBondContact O-N 2.72Å; L175-R178 VanDerWaalsContact O-N 3.09Å; L175-F179 HydrophobicContact CB-CD2 4.17Å; L175-F179 HydrophobicContact CD2-CD2 3.9Å; L175-F179 HydrophobicContact CD2-CE2 3.8Å; L175-F179 WeakPolarHBondContact O-CD2 3.47Å; L175-F179 PolarHBondContact O-N 2.95Å; L175-V182 HydrophobicContact CB-CG2 4.07Å; L175-V182 HydrophobicContact CD1-CG1 4.43Å; L175-V268 HydrophobicContact CB-CG1 4.39Å; L175-V268 HydrophobicContact CD1-CG1 4.21Å; L175-V268 HydrophobicContact CD1-CG2 4.03Å; L175-V268 HydrophobicContact CD2-CG1 4.48Å; L175-V268 HydrophobicContact CD2-CG2 4.08Å; L175-V270 HydrophobicContact CD1-CG2 3.45Å; L175-V270 VanDerWaalsContact CD1-CG2 3.45Å
176L98.8Very high98.8Very high24 Ų2421.8 Ų21.813%0.12610%0.102CC..THydrogen-bonded Turntrans-66.4-7.8178.3-73.2173.2000114.2I172 L173 Q174 R178 F179 V182 F199 R204 V205I172-L176 HydrophobicContact CG2-CD1 4.1Å; I172-L176 HydrophobicContact CG2-CG 4.3Å; I172-L176 VanDerWaalsContact O-CG 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.29Å; I172-L176 PolarHBondContact O-N 3.38Å; L173-L176 PolarHBondContact O-N 3.22Å; Q174-L176 VanDerWaalsContact C-N 3.26Å; Q174-L176 PolarHBondContact O-N 3.23Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-F179 WeakPolarHBondContact CA-O 3.49Å; L176-V182 HydrophobicContact CD2-CG2 3.73Å; L176-V182 HydrophobicContact CG-CG2 4.08Å; L176-F199 HydrophobicContact CD1-CE1 4.28Å; L176-R204 HydrophobicContact CD2-CB 3.91Å; L176-R204 PolarHBondContact O-NH2 2.97Å; L176-V205 HydrophobicContact CD1-CG2 3.66Å; L176-V205 HydrophobicContact CD2-CG2 4.12Å; L176-V205 HydrophobicContact CG-CG2 4.27Å
177T98.4Very high98.8Very high83 Ų8321.8 Ų21.851%0.50910%0.102SC..THydrogen-bonded Turntrans-74-24.5170.869.50000112.4Q174 L175Q174-T177 WeakPolarHBondContact O-CB 3.43Å; Q174-T177 WeakPolarHBondContact O-CG2 3.37Å; Q174-T177 PolarHBondContact O-N 3.35Å; Q174-T177 VanDerWaalsContact O-N 3.13Å; Q174-T177 PolarHBondContact O-OG1 3.39Å; L175-T177 PolarHBondContact O-N 2.95Å; L175-T177 VanDerWaalsContact O-N 3.13Å
178R98.4Very high98.8Very high143 Ų14321.8 Ų21.854%0.5410%0.102SC..THydrogen-bonded Turntrans-116.7-37.8-179175.158.5-173.486-1.5113.6I137 L175 L176I137-R178 HydrophobicContact CB-CB 4.32Å; I137-R178 HydrophobicContact CG1-CB 4.01Å; I137-R178 HydrophobicContact CG2-CB 3.79Å; I137-R178 HydrophobicContact CG2-CG 4.14Å; L175-R178 PolarHBondContact O-N 2.72Å; L175-R178 VanDerWaalsContact O-N 3.09Å; L176-R178 VanDerWaalsContact C-N 3.31Å
179F98.5Very high98.7Very high19 Ų1921.8 Ų21.88%0.08310%0.102CC..  trans-100.1135.1-177-57.7-72.6000110I137 L175 L176 R204 E267 V268I137-F179 HydrophobicContact CG1-CE2 4.15Å; L175-F179 HydrophobicContact CB-CD2 4.17Å; L175-F179 HydrophobicContact CD2-CD2 3.9Å; L175-F179 HydrophobicContact CD2-CE2 3.8Å; L175-F179 WeakPolarHBondContact O-CD2 3.47Å; L175-F179 PolarHBondContact O-N 2.95Å; L176-F179 WeakPolarHBondContact CA-O 3.49Å; F179-R204 PolarHBondContact O-NH2 2.9Å; F179-E267 HydrophobicContact CB-CB 4.3Å; F179-E267 HydrophobicContact CD1-CB 3.68Å; F179-E267 HydrophobicContact CE1-CB 4.49Å; F179-E267 HydrophobicContact CG-CB 4.38Å; F179-V268 HydrophobicContact CB-CG1 3.78Å; F179-V268 HydrophobicContact CD1-CB 4.33Å; F179-V268 HydrophobicContact CD1-CG1 4.29Å; F179-V268 HydrophobicContact CD2-CB 4Å; F179-V268 HydrophobicContact CD2-CG1 3.58Å; F179-V268 HydrophobicContact CE1-CB 4.47Å; F179-V268 HydrophobicContact CE2-CB 4.16Å; F179-V268 HydrophobicContact CE2-CG1 4.22Å; F179-V268 HydrophobicContact CE2-CG2 4.42Å; F179-V268 HydrophobicContact CG-CB 4.09Å; F179-V268 HydrophobicContact CG-CG1 3.61Å; F179-V268 HydrophobicContact CZ-CB 4.38Å
180Q97.9Very high98.7Very high32 Ų3222.2 Ų22.215%0.1510%0.104CC..SBendtrans-78.2-35.4178-171.655.941.400111.9R204 E267 V391Q180-R204 WeakPolarHBondContact O-CB 3.3Å; Q180-R204 PolarHBondContact O-NE 2.7Å; Q180-E267 WeakPolarHBondContact CA-OE2 3.1Å; Q180-E267 WeakPolarHBondContact CB-OE2 3.45Å; Q180-E267 PolarHBondContact N-OE2 3.18Å; Q180-V391 HydrophobicContact CG-CB 3.92Å; Q180-V391 HydrophobicContact CG-CG1 4.45Å; Q180-V391 HydrophobicContact CG-CG2 4.23Å; Q180-V391 VanDerWaalsContact NE2-CG1 3.27Å
181R98.4Very high98.7Very high46 Ų4622.2 Ų22.217%0.17410%0.104CC..  trans-130.4112.4-176.3-67.6-174.2-56.3-72.6-10.3112R204 Y264 Q265 E267R181-R204 WeakPolarHBondContact CA-O 3.49Å; R181-Y264 HydrophobicContact CB-CE1 4.05Å; R181-Y264 HydrophobicContact CB-CE2 4.21Å; R181-Y264 WeakPolarHBondContact CD-O 3.19Å; R181-Y264 HydrophobicContact CG-CE2 4.04Å; R181-Y264 PolarHBondContact NE-O 3.46Å; R181-Q265 PolarHBondContact NE-O 3.38Å; R181-Q265 PolarHBondContact NH2-O 2.75Å; R181-E267 PolarHBondContact N-OE2 3.27Å; R181-E267 PolarHBondContact O-N 2.88Å
182V98.9Very high98.7Very high0 Ų022.3 Ų22.30%010%0.104CC..EExtended strand (participates in β ladder)trans-102.2131.9174.2-176.90000109.2I172 L175 L176 R204 V205 M206 Y264 V268 V270I172-V182 HydrophobicContact CG1-CG1 4.1Å; I172-V182 HydrophobicContact CG2-CB 4.3Å; I172-V182 HydrophobicContact CG2-CG1 4.15Å; I172-V182 HydrophobicContact CG2-CG2 4.4Å; L175-V182 HydrophobicContact CB-CG2 4.07Å; L175-V182 HydrophobicContact CD1-CG1 4.43Å; L176-V182 HydrophobicContact CD2-CG2 3.73Å; L176-V182 HydrophobicContact CG-CG2 4.08Å; V182-R204 PolarHBondContact N-O 3.11Å; V182-V205 HydrophobicContact CB-CG2 4.42Å; V182-V205 WeakPolarHBondContact O-CA 3.34Å; V182-M206 PolarHBondContact O-N 3.35Å; V182-Y264 PolarHBondContact N-OH 2.94Å; V182-Y264 VanDerWaalsContact O-CE1 3.3Å; V182-Y264 WeakPolarHBondContact O-CE1 3.35Å; V182-Y264 PolarHBondContact O-OH 2.9Å; V182-Y264 VanDerWaalsContact O-OH 3.05Å; V182-V268 HydrophobicContact CB-CG1 4.22Å; V182-V268 HydrophobicContact CG1-CG1 4.15Å; V182-V268 HydrophobicContact CG2-CG1 3.71Å; V182-V270 HydrophobicContact CG1-CG2 4Å
183L98.9Very high98.7Very high0 Ų022.9 Ų22.90%011%0.107CC..EExtended strand (participates in β ladder)trans-104.3120.8169.4171.564.7000109.2I185 M206 L208 V260 I261 Y264 P266 V268 I269 V270L183-I185 HydrophobicContact CD1-CG1 4.37Å; L183-I185 HydrophobicContact CD2-CD1 3.9Å; L183-I185 HydrophobicContact CD2-CG1 3.99Å; L183-I185 HydrophobicContact CG-CD1 4.3Å; L183-I185 HydrophobicContact CG-CG1 3.85Å; L183-M206 HydrophobicContact CD1-CB 4.07Å; L183-M206 HydrophobicContact CD1-CG 4.03Å; L183-L208 HydrophobicContact CD1-CB 4.46Å; L183-V260 HydrophobicContact CD1-CG1 3.62Å; L183-V260 HydrophobicContact CD2-CG1 3.9Å; L183-V260 HydrophobicContact CG-CG1 4.44Å; L183-I261 HydrophobicContact CD2-CD1 4.5Å; L183-I261 HydrophobicContact CD2-CG1 3.79Å; L183-Y264 HydrophobicContact CB-CD1 4.3Å; L183-Y264 HydrophobicContact CB-CE1 4.2Å; L183-P266 HydrophobicContact CB-CB 3.5Å; L183-P266 VanDerWaalsContact CB-CB 3.5Å; L183-P266 HydrophobicContact CB-CG 3.71Å; L183-P266 HydrophobicContact CD2-CG 3.91Å; L183-P266 HydrophobicContact CG-CG 4.46Å; L183-V268 PolarHBondContact N-O 3.44Å; L183-I269 HydrophobicContact CB-CG1 4.35Å; L183-I269 HydrophobicContact CD2-CD1 4.39Å; L183-I269 HydrophobicContact CD2-CG1 4.39Å; L183-I269 CarbonylContact O-C 3.29Å; L183-I269 VanDerWaalsContact O-CA 3.28Å; L183-I269 WeakPolarHBondContact O-CA 3.16Å; L183-V270 PolarHBondContact O-N 3.15Å
184Y98.9Very high98.7Very high2 Ų220 Ų201%0.0089%0.092CC..EExtended strand (participates in β ladder)trans-94.9123170.6175-114.3000109.6I168 I172 D186 V195 M206 T207 L208 V270 Q272I168-Y184 HydrophobicContact CD1-CE2 4.24Å; I168-Y184 HydrophobicContact CG1-CE2 4.49Å; I168-Y184 HydrophobicContact CG2-CD2 3.8Å; I168-Y184 HydrophobicContact CG2-CE2 3.52Å; I172-Y184 HydrophobicContact CD1-CD2 4.35Å; I172-Y184 HydrophobicContact CD1-CG 4.44Å; Y184-D186 HydrophobicContact CD1-CB 4.48Å; Y184-D186 HydrophobicContact CE1-CB 3.64Å; Y184-D186 VanDerWaalsContact OH-CG 3.25Å; Y184-D186 PolarHBondContact OH-OD2 2.75Å; Y184-V195 HydrophobicContact CD1-CB 4.23Å; Y184-V195 HydrophobicContact CD1-CG1 3.67Å; Y184-V195 HydrophobicContact CD2-CG1 4.31Å; Y184-V195 HydrophobicContact CE1-CB 3.85Å; Y184-V195 HydrophobicContact CE1-CG1 3.76Å; Y184-V195 HydrophobicContact CE1-CG2 4.16Å; Y184-V195 HydrophobicContact CE2-CG1 4.38Å; Y184-V195 HydrophobicContact CG-CG1 3.95Å; Y184-M206 PolarHBondContact N-O 3.03Å; Y184-T207 HydrophobicContact CD1-CG2 3.94Å; Y184-L208 PolarHBondContact O-N 3.02Å; Y184-V270 CarbonylContact C-O 3.49Å; Y184-V270 WeakPolarHBondContact CA-O 3.12Å; Y184-V270 HydrophobicContact CD2-CB 4.18Å; Y184-V270 HydrophobicContact CD2-CG1 4.08Å; Y184-V270 HydrophobicContact CE2-CG1 4.47Å; Y184-Q272 HydrophobicContact CE2-CB 3.8Å; Y184-Q272 WeakPolarHBondContact OH-CB 3.46Å
185I98.9Very high98.7Very high0 Ų017.9 Ų17.90%08%0.082CC..EExtended strand (participates in β ladder)trans-116.7126.8175.2-54.4178.7000108.2L183 I187 L208 F253 V257 I269 V270 M271 Q272 V300L183-I185 HydrophobicContact CD1-CG1 4.37Å; L183-I185 HydrophobicContact CD2-CD1 3.9Å; L183-I185 HydrophobicContact CD2-CG1 3.99Å; L183-I185 HydrophobicContact CG-CD1 4.3Å; L183-I185 HydrophobicContact CG-CG1 3.85Å; I185-I187 HydrophobicContact CG2-CG2 4.4Å; I185-L208 CarbonylContact C-O 3.57Å; I185-L208 WeakPolarHBondContact CA-O 3.31Å; I185-F253 HydrophobicContact CG2-CE2 3.98Å; I185-F253 HydrophobicContact CG2-CZ 4.14Å; I185-V257 HydrophobicContact CD1-CG1 3.91Å; I185-V257 HydrophobicContact CD1-CG2 4.47Å; I185-I269 HydrophobicContact CD1-CG2 3.94Å; I185-I269 HydrophobicContact CG1-CG2 4.16Å; I185-V270 PolarHBondContact N-O 2.97Å; I185-M271 CarbonylContact O-C 3.26Å; I185-M271 WeakPolarHBondContact O-CA 3.33Å; I185-Q272 PolarHBondContact O-N 3.22Å; I185-V300 HydrophobicContact CD1-CG1 4.43Å; I185-V300 HydrophobicContact CD1-CG2 3.9Å
186D98.9Very high98.7Very high0 Ų018.4 Ų18.40%09%0.085CC..EExtended strand (participates in β ladder)trans-122.8119.2-177.5-165.5-29.2000110.2H152 Y184 D188 G192 L208 S209 F210 Q272H152-D186 IonicContact CE1-OD2 3.96Å; H152-D186 IonicContact CG-OD2 2.79Å; H152-D186 IonicContact ND1-OD1 3.39Å; H152-D186 IonicContact ND1-OD2 3.7Å; H152-D186 PolarHBondContact ND1-OD2 3.23Å; Y184-D186 HydrophobicContact CD1-CB 4.48Å; Y184-D186 HydrophobicContact CE1-CB 3.64Å; Y184-D186 VanDerWaalsContact OH-CG 3.25Å; Y184-D186 PolarHBondContact OH-OD2 2.75Å; D186-D188 WeakPolarHBondContact OD1-CB 3.01Å; D186-D188 PolarHBondContact OD1-N 2.85Å; D186-G192 VanDerWaalsContact OD2-CA 3.28Å; D186-G192 WeakPolarHBondContact OD2-CA 3.5Å; D186-L208 PolarHBondContact N-O 2.97Å; D186-S209 WeakPolarHBondContact O-CA 3.35Å; D186-F210 PolarHBondContact O-N 2.86Å; D186-Q272 HydrophobicContact CB-CB 4.44Å; D186-Q272 PolarHBondContact OD1-OE1 3.49Å
187I98.8Very high98.7Very high0 Ų022.3 Ų22.30%010%0.102CC..  trans-113.212.7177.663173.5000113I185 Y249 F253 M271 Q272 S277 H293 C296I185-I187 HydrophobicContact CG2-CG2 4.4Å; I187-Y249 WeakPolarHBondContact CB-OH 3.41Å; I187-Y249 WeakPolarHBondContact CG2-OH 3.43Å; I187-F253 HydrophobicContact CG2-CD2 4.25Å; I187-F253 HydrophobicContact CG2-CE2 3.54Å; I187-F253 HydrophobicContact CG2-CZ 4.3Å; I187-M271 HydrophobicContact CD1-CE 3.66Å; I187-M271 HydrophobicContact CG1-CE 4.37Å; I187-Q272 VanDerWaalsContact CG1-O 3.32Å; I187-Q272 WeakPolarHBondContact CG1-O 3.39Å; I187-Q272 PolarHBondContact N-O 2.81Å; I187-S277 PolarHBondContact O-OG 3.49Å; I187-H293 WeakPolarHBondContact CD1-CE1 3.32Å; I187-H293 WeakPolarHBondContact CD1-NE2 2.9Å; I187-C296 HydrophobicContact CD1-CB 3.99Å
188D98.8Very high98.7Very high0 Ų019.9 Ų19.90%09%0.09CC..SBendtrans-58.4151.1166.7-157-80.2000111.3H152 D186 H190 Q272 G274 D276 G313H152-D188 VanDerWaalsContact CE1-CB 3.47Å; H152-D188 WeakPolarHBondContact CE1-CB 3.49Å; H152-D188 IonicContact CE1-OD1 2.74Å; H152-D188 IonicContact CE1-OD2 3.91Å; H152-D188 IonicContact NE2-OD1 3.3Å; H152-D188 IonicContact NE2-OD2 3.93Å; D186-D188 WeakPolarHBondContact OD1-CB 3.01Å; D186-D188 PolarHBondContact OD1-N 2.85Å; D188-H190 PolarHBondContact O-N 2.86Å; D188-H190 WeakPolarHBondContact OD1-CB 3.37Å; D188-H190 IonicContact OD1-CG 2.7Å; D188-H190 PolarHBondContact OD1-N 3.44Å; D188-H190 IonicContact OD1-ND1 2.74Å; D188-H190 PolarHBondContact OD1-ND1 3.18Å; D188-Q272 PolarHBondContact OD2-NE2 2.78Å; D188-G274 WeakPolarHBondContact OD2-CA 3.16Å; D188-D276 VanDerWaalsContact OD1-OD1 3.12Å; D188-D276 VanDerWaalsContact OD1-OD2 3.12Å; D188-G313 VanDerWaalsContact OD2-CA 3.29Å; D188-G313 WeakPolarHBondContact OD2-CA 3.01Å; D188-G313 PolarHBondContact OD2-N 3.32Å
189C98.6Very high98.7Very high0 Ų013.8 Ų13.80%07%0.068CC..SBendtrans-65.1-24.3173.6-173.50000112.4H211 K212 D276 L286C189-H211 WeakPolarHBondContact O-CA 3.38Å; C189-H211 WeakPolarHBondContact O-CB 3.45Å; C189-K212 PolarHBondContact O-N 2.97Å; C189-D276 HydrophobicContact CB-CB 4.25Å; C189-D276 WeakPolarHBondContact CB-OD1 3.37Å; C189-D276 PolarHBondContact N-OD1 2.86Å; C189-L286 HydrophobicContact CB-CD1 4.49Å
190H98.8Very high98.7Very high10 Ų1016.1 Ų16.15%0.0468%0.077CC..SBendtrans-100.1148.6-179.1-50.282.3000110.8H152 H153 D188 G192 H211 F216 F217 D276 Y315H152-H190 PolarHBondContact CE1-O 2.74Å; H153-H190 WeakPolarHBondContact NE2-CB 3.18Å; D188-H190 PolarHBondContact O-N 2.86Å; D188-H190 WeakPolarHBondContact OD1-CB 3.37Å; D188-H190 IonicContact OD1-CG 2.7Å; D188-H190 PolarHBondContact OD1-N 3.44Å; D188-H190 IonicContact OD1-ND1 2.74Å; D188-H190 PolarHBondContact OD1-ND1 3.18Å; H190-G192 PolarHBondContact O-N 3.33Å; H190-H211 VanDerWaalsContact C-CB 3.48Å; H190-F216 AromaticContact CD2-CE1 3.34Å; H190-F216 WeakPolarHBondContact CD2-CE1 3.39Å; H190-F216 AromaticContact CD2-CZ 3.69Å; H190-F216 AromaticContact NE2-CE1 3.53Å; H190-F216 AromaticContact NE2-CZ 3.33Å; H190-F216 VanDerWaalsContact NE2-CZ 3.33Å; H190-F216 WeakPolarHBondContact NE2-CZ 3.32Å; H190-F217 PolarHBondContact CD2-O 3.02Å; H190-D276 IonicContact CE1-OD2 2.71Å; H190-D276 PolarHBondContact CE1-OD2 2.85Å; H190-D276 IonicContact ND1-OD2 3.07Å; H190-D276 PolarHBondContact ND1-OD2 3.44Å; H190-Y315 AromaticContact CE1-CE2 3.93Å
191H98.8Very high98.8Very high2 Ų218.8 Ų18.81%0.00910%0.095CC..  trans-64.7130.5176.9176.6-139.9000110.8H153 D193 E196 H211 P218 T220 G221 N237H153-H191 PolarHBondContact CE1-O 3.36Å; H153-H191 PolarHBondContact ND1-O 3.42Å; H191-D193 PolarHBondContact O-N 3.11Å; H191-E196 IonicContact CE1-OE1 2.95Å; H191-E196 PolarHBondContact CE1-OE1 3.16Å; H191-E196 IonicContact CE1-OE2 3.88Å; H191-E196 IonicContact NE2-OE1 3.04Å; H191-E196 IonicContact NE2-OE2 3.9Å; H191-E196 PolarHBondContact NE2-OE2 3Å; H191-H211 HydrophobicContact CB-CB 4.44Å; H191-H211 AromaticContact CD2-CE1 3.41Å; H191-H211 PolarHBondContact CD2-CE1 3.1Å; H191-H211 VanDerWaalsContact CD2-CE1 3.41Å; H191-H211 AromaticContact CD2-ND1 3.64Å; H191-H211 AromaticContact CG-CE1 3.69Å; H191-H211 AromaticContact CG-ND1 3.97Å; H191-P218 HydrophobicContact CB-CG 4.01Å; H191-T220 VanDerWaalsContact ND1-C 3.31Å; H191-T220 PolarHBondContact ND1-OG1 3.1Å; H191-G221 VanDerWaalsContact CE1-CA 3.41Å; H191-G221 WeakPolarHBondContact CE1-CA 3.49Å; H191-G221 PolarHBondContact CE1-N 2.63Å; H191-G221 VanDerWaalsContact ND1-CA 3.28Å; H191-G221 WeakPolarHBondContact ND1-CA 3.41Å; H191-G221 PolarHBondContact ND1-N 2.9Å; H191-G221 VanDerWaalsContact ND1-N 3.12Å; H191-N237 PolarHBondContact CD2-OD1 3.32Å; H191-N237 PolarHBondContact NE2-OD1 3.25Å; H191-N237 VanDerWaalsContact NE2-OD1 3.13Å
192G98.6Very high98.7Very high1 Ų118.2 Ų18.21%0.0110%0.097CC..  trans-70.155.2172.300000114.1H152 D186 H190 G194 V195 E196H152-G192 VanDerWaalsContact ND1-CA 3.32Å; H152-G192 WeakPolarHBondContact ND1-CA 3.4Å; D186-G192 VanDerWaalsContact OD2-CA 3.28Å; D186-G192 WeakPolarHBondContact OD2-CA 3.5Å; H190-G192 PolarHBondContact O-N 3.33Å; G192-G194 PolarHBondContact O-N 3.34Å; G192-V195 PolarHBondContact O-N 3.37Å; G192-E196 PolarHBondContact O-N 2.91Å
193D98.7Very high98.7Very high13 Ų1321.2 Ų21.27%0.0711%0.113CC..Hα-helixtrans-66-33.4-168.172.2-42.3000113.8H153 K155 H191 E197 P218 T220H153-D193 WeakPolarHBondContact CA-OD1 3.47Å; H153-D193 IonicContact CE1-OD1 3.33Å; H153-D193 IonicContact CG-OD1 3.9Å; H153-D193 IonicContact ND1-OD1 3.39Å; H153-D193 PolarHBondContact ND1-OD1 2.85Å; K155-D193 WeakPolarHBondContact CE-OD2 3.36Å; K155-D193 VanDerWaalsContact NZ-C 3.27Å; K155-D193 VanDerWaalsContact NZ-CG 3.27Å; K155-D193 PolarHBondContact NZ-O 2.99Å; K155-D193 VanDerWaalsContact NZ-O 3.14Å; K155-D193 IonicContact NZ-OD1 2.67Å; K155-D193 IonicContact NZ-OD2 2.89Å; K155-D193 PolarHBondContact NZ-OD2 2.86Å; H191-D193 PolarHBondContact O-N 3.11Å; D193-E197 WeakPolarHBondContact O-CB 3.33Å; D193-E197 PolarHBondContact O-N 3.35Å; D193-P218 HydrophobicContact CB-CG 3.95Å; D193-T220 VanDerWaalsContact CB-OG1 3.32Å; D193-T220 WeakPolarHBondContact CB-OG1 3.25Å
194G98.8Very high98.7Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-68.7-34.5175.200000112.8H152 G192 A198H152-G194 WeakPolarHBondContact O-CA 3.49Å; H152-G194 PolarHBondContact O-N 2.82Å; G192-G194 PolarHBondContact O-N 3.34Å; G194-A198 WeakPolarHBondContact O-CB 3.33Å; G194-A198 PolarHBondContact O-N 2.93Å
195V98.9Very high98.6Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-75.6-45.6176.8-173.30000110.7H152 I168 V169 I172 Y184 G192 E197 A198 F199 T207H152-V195 HydrophobicContact CB-CG2 3.88Å; H152-V195 PolarHBondContact O-N 3Å; I168-V195 HydrophobicContact CB-CG2 3.9Å; I168-V195 HydrophobicContact CD1-CG2 3.81Å; I168-V195 HydrophobicContact CG1-CG2 4.49Å; I168-V195 HydrophobicContact CG2-CB 4.49Å; I168-V195 HydrophobicContact CG2-CG1 3.87Å; I168-V195 HydrophobicContact CG2-CG2 3.72Å; V169-V195 HydrophobicContact CG2-CB 4.48Å; V169-V195 HydrophobicContact CG2-CG1 4.42Å; V169-V195 HydrophobicContact CG2-CG2 4.37Å; I172-V195 HydrophobicContact CD1-CG1 4.11Å; Y184-V195 HydrophobicContact CD1-CB 4.23Å; Y184-V195 HydrophobicContact CD1-CG1 3.67Å; Y184-V195 HydrophobicContact CD2-CG1 4.31Å; Y184-V195 HydrophobicContact CE1-CB 3.85Å; Y184-V195 HydrophobicContact CE1-CG1 3.76Å; Y184-V195 HydrophobicContact CE1-CG2 4.16Å; Y184-V195 HydrophobicContact CE2-CG1 4.38Å; Y184-V195 HydrophobicContact CG-CG1 3.95Å; G192-V195 PolarHBondContact O-N 3.37Å; V195-E197 VanDerWaalsContact C-N 3.34Å; V195-E197 PolarHBondContact O-N 2.9Å; V195-A198 PolarHBondContact O-N 2.87Å; V195-F199 HydrophobicContact CG1-CD2 4.07Å; V195-F199 HydrophobicContact CG1-CE2 4.23Å; V195-F199 WeakPolarHBondContact O-CD2 3.34Å; V195-F199 PolarHBondContact O-N 2.89Å; V195-T207 HydrophobicContact CG1-CG2 4.4Å
196E98.9Very high98.6Very high12 Ų1224 Ų246%0.05612%0.124CC..Hα-helixtrans-57.5-47174.7174.5168.7112.700111.4H191 G192 A198 F199 Y200 A235 N237H191-E196 IonicContact CE1-OE1 2.95Å; H191-E196 PolarHBondContact CE1-OE1 3.16Å; H191-E196 IonicContact CE1-OE2 3.88Å; H191-E196 IonicContact NE2-OE1 3.04Å; H191-E196 IonicContact NE2-OE2 3.9Å; H191-E196 PolarHBondContact NE2-OE2 3Å; G192-E196 PolarHBondContact O-N 2.91Å; E196-A198 PolarHBondContact O-N 3.02Å; E196-F199 CarbonylContact O-C 3.58Å; E196-F199 PolarHBondContact O-N 2.6Å; E196-Y200 HydrophobicContact CG-CD2 3.76Å; E196-Y200 HydrophobicContact CG-CE2 4.14Å; E196-Y200 WeakPolarHBondContact O-CA 3.43Å; E196-Y200 WeakPolarHBondContact O-CB 3.39Å; E196-Y200 PolarHBondContact O-N 2.96Å; E196-A235 HydrophobicContact CG-CB 4.07Å; E196-N237 PolarHBondContact OE1-ND2 3.48Å; E196-N237 PolarHBondContact OE2-ND2 3.11Å; E196-N237 PolarHBondContact OE2-OD1 3.27Å
197E98.7Very high98.6Very high106 Ų10624.3 Ų24.350%0.49513%0.126SC..Hα-helixtrans-59.8-44.2178.6-175.6-176.4136.500112.3K155 D193 V195 F199 Y200K155-E197 WeakPolarHBondContact CD-OE2 3.33Å; K155-E197 WeakPolarHBondContact CE-OE2 3.41Å; K155-E197 IonicContact NZ-OE2 3.56Å; K155-E197 PolarHBondContact NZ-OE2 3.48Å; D193-E197 WeakPolarHBondContact O-CB 3.33Å; D193-E197 PolarHBondContact O-N 3.35Å; V195-E197 VanDerWaalsContact C-N 3.34Å; V195-E197 PolarHBondContact O-N 2.9Å; E197-F199 PolarHBondContact O-N 3.32Å; E197-Y200 PolarHBondContact O-N 3.38Å
198A98.7Very high98.6Very high31 Ų3124.3 Ų24.326%0.25613%0.126SC..Hα-helixtrans-60.4-31-179.600000113.1Y79 V169 G194 V195 E196Y79-A198 HydrophobicContact CE2-CB 3.75Å; V169-A198 HydrophobicContact CB-CB 4.41Å; V169-A198 HydrophobicContact CG1-CB 3.9Å; V169-A198 HydrophobicContact CG2-CB 3.52Å; G194-A198 WeakPolarHBondContact O-CB 3.33Å; G194-A198 PolarHBondContact O-N 2.93Å; V195-A198 PolarHBondContact O-N 2.87Å; E196-A198 PolarHBondContact O-N 3.02Å
199F98.7Very high98.6Very high16 Ų1624.5 Ų24.57%0.0713%0.127CC..Hα-helixtrans-114.911.1-176.1-61-63.3000114V169 I172 L173 L176 V195 E196 E197 T201 T202 V205V169-F199 HydrophobicContact CB-CE2 4.28Å; V169-F199 HydrophobicContact CB-CZ 4.45Å; V169-F199 HydrophobicContact CG1-CE2 4.13Å; V169-F199 HydrophobicContact CG1-CZ 3.91Å; V169-F199 HydrophobicContact CG2-CE2 3.92Å; I172-F199 HydrophobicContact CB-CE2 3.88Å; I172-F199 HydrophobicContact CB-CZ 3.68Å; I172-F199 HydrophobicContact CD1-CD2 4.39Å; I172-F199 HydrophobicContact CD1-CE2 3.76Å; I172-F199 HydrophobicContact CD1-CZ 4.44Å; I172-F199 HydrophobicContact CG1-CE2 4.42Å; I172-F199 HydrophobicContact CG2-CD2 4.49Å; I172-F199 HydrophobicContact CG2-CE1 3.88Å; I172-F199 HydrophobicContact CG2-CE2 3.67Å; I172-F199 HydrophobicContact CG2-CZ 3.3Å; L173-F199 HydrophobicContact CD2-CE1 4.11Å; L173-F199 HydrophobicContact CD2-CZ 4.43Å; L173-F199 HydrophobicContact CG-CZ 4.38Å; L176-F199 HydrophobicContact CD1-CE1 4.28Å; V195-F199 HydrophobicContact CG1-CD2 4.07Å; V195-F199 HydrophobicContact CG1-CE2 4.23Å; V195-F199 WeakPolarHBondContact O-CD2 3.34Å; V195-F199 PolarHBondContact O-N 2.89Å; E196-F199 CarbonylContact O-C 3.58Å; E196-F199 PolarHBondContact O-N 2.6Å; E197-F199 PolarHBondContact O-N 3.32Å; F199-T201 PolarHBondContact O-N 3.05Å; F199-T202 HydrophobicContact CB-CG2 3.79Å; F199-T202 HydrophobicContact CD1-CG2 3.84Å; F199-T202 HydrophobicContact CG-CG2 4.28Å; F199-T202 WeakPolarHBondContact O-CG2 3.46Å; F199-T202 PolarHBondContact O-N 3.35Å; F199-T202 VanDerWaalsContact O-N 3.15Å; F199-V205 HydrophobicContact CB-CB 3.9Å; F199-V205 HydrophobicContact CB-CG1 4.01Å; F199-V205 HydrophobicContact CD1-CB 3.95Å; F199-V205 HydrophobicContact CD1-CG1 4.31Å; F199-V205 HydrophobicContact CD1-CG2 3.61Å; F199-V205 HydrophobicContact CD2-CB 4.33Å; F199-V205 HydrophobicContact CD2-CG1 3.81Å; F199-V205 HydrophobicContact CD2-CG2 4.48Å; F199-V205 HydrophobicContact CE1-CG2 3.87Å; F199-V205 HydrophobicContact CE2-CG1 4.38Å; F199-V205 HydrophobicContact CG-CB 3.79Å; F199-V205 HydrophobicContact CG-CG1 3.77Å; F199-V205 HydrophobicContact CG-CG2 3.95Å; F199-V205 HydrophobicContact CZ-CG2 4.41Å
200Y98.6Very high98.7Very high67 Ų6724.5 Ų24.526%0.26313%0.127SC..THydrogen-bonded Turntrans-58.4-21.3-172.7-156.7-109.3000114.3E196 E197 G227 Y228 A235E196-Y200 HydrophobicContact CG-CD2 3.76Å; E196-Y200 HydrophobicContact CG-CE2 4.14Å; E196-Y200 WeakPolarHBondContact O-CA 3.43Å; E196-Y200 WeakPolarHBondContact O-CB 3.39Å; E196-Y200 PolarHBondContact O-N 2.96Å; E197-Y200 PolarHBondContact O-N 3.38Å; Y200-G227 VanDerWaalsContact CE1-C 3.49Å; Y200-G227 VanDerWaalsContact CZ-CA 3.43Å; Y200-G227 CarbonylContact O-C 3.54Å; Y200-G227 VanDerWaalsContact O-CA 3.28Å; Y200-G227 WeakPolarHBondContact O-CA 3.34Å; Y200-Y228 PolarHBondContact O-N 3.16Å; Y200-A235 HydrophobicContact CD2-CB 4.47Å; Y200-A235 HydrophobicContact CE2-CB 4.44Å
201T98.5Very high98.7Very high89 Ų8924 Ų2455%0.54613%0.125SC..THydrogen-bonded Turntrans-113.45.2-174.360.60000115F199 Y228 G231F199-T201 PolarHBondContact O-N 3.05Å; T201-Y228 WeakPolarHBondContact CA-O 3.42Å; T201-Y228 HydrophobicContact CG2-CD1 4.26Å; T201-G231 VanDerWaalsContact C-N 3.32Å; T201-G231 PolarHBondContact O-N 3.38Å; T201-G231 VanDerWaalsContact O-N 3.14Å
202T98.1Very high98.6Very high34 Ų3425.8 Ų25.821%0.20913%0.132CC..  trans-112.5148.6-179.6-174.40000112.5F199 R204 V205 G231F199-T202 HydrophobicContact CB-CG2 3.79Å; F199-T202 HydrophobicContact CD1-CG2 3.84Å; F199-T202 HydrophobicContact CG-CG2 4.28Å; F199-T202 WeakPolarHBondContact O-CG2 3.46Å; F199-T202 PolarHBondContact O-N 3.35Å; F199-T202 VanDerWaalsContact O-N 3.15Å; T202-R204 PolarHBondContact OG1-N 3.11Å; T202-V205 HydrophobicContact CG2-CB 4.1Å; T202-V205 HydrophobicContact CG2-CG2 4.27Å; T202-G231 WeakPolarHBondContact O-CA 3.45Å
203D97.6Very high98.6Very high63 Ų6329.2 Ų29.234%0.33715%0.147SC..SBendtrans-96-3.5172.461.5-6.3000113.1Y234 Y264D203-Y234 HydrophobicContact CB-CD1 4.13Å; D203-Y234 HydrophobicContact CB-CD2 4.1Å; D203-Y234 HydrophobicContact CB-CE1 3.69Å; D203-Y234 HydrophobicContact CB-CE2 3.68Å; D203-Y234 HydrophobicContact CB-CG 4.32Å; D203-Y234 VanDerWaalsContact CB-CZ 3.46Å; D203-Y234 WeakPolarHBondContact O-CD1 3.32Å; D203-Y234 WeakPolarHBondContact O-CE1 3.41Å; D203-Y264 WeakPolarHBondContact O-CE2 3.44Å
204R98.4Very high98.4Very high59 Ų5930.4 Ų30.422%0.22316%0.162CC..SBendtrans-84.8-12.4178.8-64-170.262.5-165.7-4.4113.9L176 F179 Q180 R181 V182 T202 Y264L176-R204 HydrophobicContact CD2-CB 3.91Å; L176-R204 PolarHBondContact O-NH2 2.97Å; F179-R204 PolarHBondContact O-NH2 2.9Å; Q180-R204 WeakPolarHBondContact O-CB 3.3Å; Q180-R204 PolarHBondContact O-NE 2.7Å; R181-R204 WeakPolarHBondContact CA-O 3.49Å; V182-R204 PolarHBondContact N-O 3.11Å; T202-R204 PolarHBondContact OG1-N 3.11Å; R204-Y264 PolarHBondContact O-OH 3.28Å
205V98.8Very high98.2Very high1 Ų138.5 Ų38.51%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-130.5126.5176.1-176.10000107.4I172 L176 V182 F199 T202 Y264I172-V205 HydrophobicContact CD1-CG1 4.4Å; I172-V205 HydrophobicContact CG2-CG1 4.12Å; I172-V205 HydrophobicContact CG2-CG2 3.58Å; L176-V205 HydrophobicContact CD1-CG2 3.66Å; L176-V205 HydrophobicContact CD2-CG2 4.12Å; L176-V205 HydrophobicContact CG-CG2 4.27Å; V182-V205 HydrophobicContact CB-CG2 4.42Å; V182-V205 WeakPolarHBondContact O-CA 3.34Å; F199-V205 HydrophobicContact CB-CB 3.9Å; F199-V205 HydrophobicContact CB-CG1 4.01Å; F199-V205 HydrophobicContact CD1-CB 3.95Å; F199-V205 HydrophobicContact CD1-CG1 4.31Å; F199-V205 HydrophobicContact CD1-CG2 3.61Å; F199-V205 HydrophobicContact CD2-CB 4.33Å; F199-V205 HydrophobicContact CD2-CG1 3.81Å; F199-V205 HydrophobicContact CD2-CG2 4.48Å; F199-V205 HydrophobicContact CE1-CG2 3.87Å; F199-V205 HydrophobicContact CE2-CG1 4.38Å; F199-V205 HydrophobicContact CG-CB 3.79Å; F199-V205 HydrophobicContact CG-CG1 3.77Å; F199-V205 HydrophobicContact CG-CG2 3.95Å; F199-V205 HydrophobicContact CZ-CG2 4.41Å; T202-V205 HydrophobicContact CG2-CB 4.1Å; T202-V205 HydrophobicContact CG2-CG2 4.27Å; V205-Y264 WeakPolarHBondContact CA-OH 3.47Å; V205-Y264 PolarHBondContact N-OH 3.27Å
206M98.8Very high98.1Very high0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-107.6127.3170.9-179.7165.3-78.900108.8V182 L183 Y184 Y234 L236 V260 Y264 L385V182-M206 PolarHBondContact O-N 3.35Å; L183-M206 HydrophobicContact CD1-CB 4.07Å; L183-M206 HydrophobicContact CD1-CG 4.03Å; Y184-M206 PolarHBondContact N-O 3.03Å; M206-Y234 CarbonylContact C-O 3.51Å; M206-Y234 WeakPolarHBondContact CA-O 3.48Å; M206-Y234 HydrophobicContact CB-CD1 4.46Å; M206-Y234 HydrophobicContact CE-CD1 3.62Å; M206-Y234 HydrophobicContact CE-CE1 4.17Å; M206-Y234 HydrophobicContact CE-CG 4.07Å; M206-Y234 WeakPolarHBondContact CG-O 3.32Å; M206-L236 HydrophobicContact SD-CD1 4.16Å; M206-V260 HydrophobicContact SD-CG1 3.63Å; M206-Y264 HydrophobicContact CB-CD1 3.65Å; M206-Y264 HydrophobicContact CB-CD2 4.2Å; M206-Y264 HydrophobicContact CB-CE1 3.46Å; M206-Y264 VanDerWaalsContact CB-CE1 3.46Å; M206-Y264 HydrophobicContact CB-CE2 4.05Å; M206-Y264 HydrophobicContact CB-CG 4.02Å; M206-Y264 HydrophobicContact CE-CD2 3.83Å; M206-Y264 HydrophobicContact CE-CG 3.92Å; M206-Y264 HydrophobicContact CG-CD1 4.39Å; M206-Y264 PolarHBondContact N-OH 2.81Å; M206-Y264 HydrophobicContact SD-CD1 4Å; M206-Y264 HydrophobicContact SD-CD2 4.21Å; M206-Y264 HydrophobicContact SD-CG 3.7Å; M206-L385 HydrophobicContact CE-CD1 3.58Å; M206-L385 HydrophobicContact CE-CD2 4.06Å; M206-L385 HydrophobicContact CE-CG 4.47Å
207T98.9Very high98.1Very high7 Ų743.2 Ų43.24%0.04323%0.226CC..EExtended strand (participates in β ladder)trans-99.3137.8173.761.30000110.1Y184 V195 Y234 A235 L236Y184-T207 HydrophobicContact CD1-CG2 3.94Å; V195-T207 HydrophobicContact CG1-CG2 4.4Å; T207-Y234 PolarHBondContact N-O 3.18Å; T207-A235 WeakPolarHBondContact OG1-CA 3.29Å; T207-L236 PolarHBondContact O-N 2.93Å
208L98.9Very high98Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-136.3109.9174.2175.765000109.2L183 Y184 I185 D186 F210 L236 T256 V257 V260L183-L208 HydrophobicContact CD1-CB 4.46Å; Y184-L208 PolarHBondContact O-N 3.02Å; I185-L208 CarbonylContact C-O 3.57Å; I185-L208 WeakPolarHBondContact CA-O 3.31Å; D186-L208 PolarHBondContact N-O 2.97Å; L208-F210 HydrophobicContact CD1-CE2 3.96Å; L208-F210 HydrophobicContact CD1-CZ 4.12Å; L208-F210 HydrophobicContact CD2-CE2 3.61Å; L208-F210 HydrophobicContact CD2-CZ 3.98Å; L208-F210 HydrophobicContact CG-CD2 4.27Å; L208-F210 HydrophobicContact CG-CE2 3.55Å; L208-F210 HydrophobicContact CG-CZ 4.13Å; L208-L236 VanDerWaalsContact CA-O 3.28Å; L208-L236 WeakPolarHBondContact CA-O 3.19Å; L208-L236 HydrophobicContact CD1-CB 3.78Å; L208-T256 HydrophobicContact CD1-CG2 4.07Å; L208-T256 HydrophobicContact CD2-CG2 4.42Å; L208-V257 HydrophobicContact CD2-CG2 3.76Å; L208-V260 HydrophobicContact CD2-CG2 4.15Å
209S98.9Very high98Very high3 Ų340.4 Ų40.42%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-119.6137.1-178.8-175.10000112.1D186 H211 L236 F238D186-S209 WeakPolarHBondContact O-CA 3.35Å; S209-H211 WeakPolarHBondContact CB-ND1 3.24Å; S209-H211 PolarHBondContact OG-ND1 2.84Å; S209-L236 PolarHBondContact N-O 2.97Å; S209-F238 PolarHBondContact O-N 2.98Å
210F98.9Very high97.9Very high0 Ų042.4 Ų42.40%024%0.236CC..EExtended strand (participates in β ladder)trans-118.691.3177.5-64.9-98.9000110.1D186 L208 F238 L240 Y249 I252 F253 T256 V257D186-F210 PolarHBondContact O-N 2.86Å; L208-F210 HydrophobicContact CD1-CE2 3.96Å; L208-F210 HydrophobicContact CD1-CZ 4.12Å; L208-F210 HydrophobicContact CD2-CE2 3.61Å; L208-F210 HydrophobicContact CD2-CZ 3.98Å; L208-F210 HydrophobicContact CG-CD2 4.27Å; L208-F210 HydrophobicContact CG-CE2 3.55Å; L208-F210 HydrophobicContact CG-CZ 4.13Å; F210-F238 HydrophobicContact CD1-CB 3.46Å; F210-F238 VanDerWaalsContact CD1-CB 3.46Å; F210-F238 HydrophobicContact CD1-CD1 4.42Å; F210-F238 AromaticContact CD1-CD2 3.89Å; F210-F238 HydrophobicContact CD1-CD2 3.89Å; F210-F238 AromaticContact CD1-CG 3.67Å; F210-F238 HydrophobicContact CD1-CG 3.67Å; F210-F238 HydrophobicContact CE1-CB 3.84Å; F210-F238 AromaticContact CE1-CD2 3.53Å; F210-F238 HydrophobicContact CE1-CD2 3.53Å; F210-F238 HydrophobicContact CE1-CE2 4.33Å; F210-F238 AromaticContact CE1-CG 3.82Å; F210-F238 HydrophobicContact CE1-CG 3.82Å; F210-F238 HydrophobicContact CG-CB 4.06Å; F210-L240 HydrophobicContact CB-CD1 4.34Å; F210-Y249 HydrophobicContact CB-CE2 4.19Å; F210-Y249 VanDerWaalsContact CB-OH 3.22Å; F210-Y249 WeakPolarHBondContact CB-OH 3.39Å; F210-I252 HydrophobicContact CD1-CD1 4.21Å; F210-I252 HydrophobicContact CE1-CD1 4.5Å; F210-F253 AromaticContact CD2-CD2 3.93Å; F210-F253 HydrophobicContact CD2-CD2 3.93Å; F210-F253 HydrophobicContact CD2-CE2 4.12Å; F210-F253 HydrophobicContact CE1-CD2 4.3Å; F210-F253 AromaticContact CE2-CD2 3.59Å; F210-F253 HydrophobicContact CE2-CD2 3.59Å; F210-F253 AromaticContact CE2-CE2 3.81Å; F210-F253 HydrophobicContact CE2-CE2 3.81Å; F210-F253 HydrophobicContact CG-CD2 4.41Å; F210-F253 AromaticContact CZ-CD2 3.81Å; F210-F253 HydrophobicContact CZ-CD2 3.81Å; F210-F253 HydrophobicContact CZ-CE2 4.42Å; F210-F253 HydrophobicContact CZ-CG 4.49Å; F210-T256 HydrophobicContact CE1-CG2 4.34Å; F210-T256 HydrophobicContact CZ-CG2 3.92Å; F210-V257 HydrophobicContact CE2-CG2 4.21Å; F210-V257 HydrophobicContact CZ-CG2 4.24Å
211H98.8Very high97.9Very high1 Ų139.2 Ų39.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-133.2160.7-167.552.4-96.6000111.6C189 H190 H191 S209 G221 N237 F238 L240C189-H211 WeakPolarHBondContact O-CA 3.38Å; C189-H211 WeakPolarHBondContact O-CB 3.45Å; H190-H211 VanDerWaalsContact C-CB 3.48Å; H191-H211 HydrophobicContact CB-CB 4.44Å; H191-H211 AromaticContact CD2-CE1 3.41Å; H191-H211 PolarHBondContact CD2-CE1 3.1Å; H191-H211 VanDerWaalsContact CD2-CE1 3.41Å; H191-H211 AromaticContact CD2-ND1 3.64Å; H191-H211 AromaticContact CG-CE1 3.69Å; H191-H211 AromaticContact CG-ND1 3.97Å; S209-H211 WeakPolarHBondContact CB-ND1 3.24Å; S209-H211 PolarHBondContact OG-ND1 2.84Å; H211-G221 PolarHBondContact NE2-O 3.14Å; H211-N237 PolarHBondContact CE1-OD1 3.45Å; H211-F238 PolarHBondContact N-O 2.67Å; H211-L240 WeakPolarHBondContact O-CB 3.05Å; H211-L240 PolarHBondContact O-N 2.9Å
212K98.5Very high97.9Very high38 Ų3835.8 Ų35.817%0.16520%0.204CC..EExtended strand (participates in β ladder)trans-70.3131.6170.7-179.8176.4175.6-62.60109.7C189 F216 L240 H285 L286C189-K212 PolarHBondContact O-N 2.97Å; K212-F216 HydrophobicContact CB-CD1 3.81Å; K212-F216 HydrophobicContact CB-CE1 3.98Å; K212-F216 HydrophobicContact CB-CG 4.37Å; K212-F216 HydrophobicContact CD-CD1 4.16Å; K212-F216 HydrophobicContact CD-CD2 3.96Å; K212-F216 HydrophobicContact CD-CE1 4.36Å; K212-F216 HydrophobicContact CD-CE2 4.19Å; K212-F216 HydrophobicContact CD-CG 3.95Å; K212-F216 HydrophobicContact CD-CZ 4.37Å; K212-F216 HydrophobicContact CG-CB 4.39Å; K212-F216 HydrophobicContact CG-CD1 4.01Å; K212-F216 HydrophobicContact CG-CE1 4.47Å; K212-F216 HydrophobicContact CG-CG 4.06Å; K212-F216 WeakPolarHBondContact O-CD1 3.47Å; K212-L240 WeakPolarHBondContact CA-O 3.45Å; K212-H285 HydrophobicContact CD-CB 3.8Å; K212-L286 HydrophobicContact CB-CD2 4.28Å
213F98.1Very high97.9Very high73 Ų7336.1 Ų36.132%0.3220%0.204SC..  trans-121.9158.4-178.5-176.4-103.6000112.7T220 S222 P239 L240F213-T220 WeakPolarHBondContact CD2-O 3.24Å; F213-T220 WeakPolarHBondContact CE2-O 3.28Å; F213-S222 VanDerWaalsContact CZ-CB 3.48Å; F213-P239 HydrophobicContact CB-CB 3.37Å; F213-P239 HydrophobicContact CD1-CB 3.96Å; F213-P239 HydrophobicContact CG-CB 3.76Å; F213-L240 PolarHBondContact N-O 2.74Å
214G94.8Very high97.9Very high38 Ų3837.1 Ų37.139%0.39222%0.216SC..SBendtrans116.7-135.9-179.300000111.6F216G214-F216 PolarHBondContact O-N 2.97Å
215D94.3Very high97.9Very high170 Ų17036.3 Ų36.391%0.90922%0.216SC*.SBendtrans-73.575170.6-169.723.6000109.7
216F96.7Very high97.9Very high30 Ų3037.5 Ų37.513%0.13222%0.222CC..SBendtrans-159.8139.1-175.8-162.9-113.1000109.6H190 K212 G214 G219 L283 H285H190-F216 AromaticContact CD2-CE1 3.34Å; H190-F216 WeakPolarHBondContact CD2-CE1 3.39Å; H190-F216 AromaticContact CD2-CZ 3.69Å; H190-F216 AromaticContact NE2-CE1 3.53Å; H190-F216 AromaticContact NE2-CZ 3.33Å; H190-F216 VanDerWaalsContact NE2-CZ 3.33Å; H190-F216 WeakPolarHBondContact NE2-CZ 3.32Å; K212-F216 HydrophobicContact CB-CD1 3.81Å; K212-F216 HydrophobicContact CB-CE1 3.98Å; K212-F216 HydrophobicContact CB-CG 4.37Å; K212-F216 HydrophobicContact CD-CD1 4.16Å; K212-F216 HydrophobicContact CD-CD2 3.96Å; K212-F216 HydrophobicContact CD-CE1 4.36Å; K212-F216 HydrophobicContact CD-CE2 4.19Å; K212-F216 HydrophobicContact CD-CG 3.95Å; K212-F216 HydrophobicContact CD-CZ 4.37Å; K212-F216 HydrophobicContact CG-CB 4.39Å; K212-F216 HydrophobicContact CG-CD1 4.01Å; K212-F216 HydrophobicContact CG-CE1 4.47Å; K212-F216 HydrophobicContact CG-CG 4.06Å; K212-F216 WeakPolarHBondContact O-CD1 3.47Å; G214-F216 PolarHBondContact O-N 2.97Å; F216-G219 WeakPolarHBondContact O-CA 3.39Å; F216-G219 PolarHBondContact O-N 2.82Å; F216-L283 WeakPolarHBondContact CE2-O 3.48Å; F216-L283 WeakPolarHBondContact CZ-O 3.36Å; F216-H285 AromaticContact CE2-CE1 3.78Å; F216-H285 AromaticContact CE2-ND1 3.29Å; F216-H285 VanDerWaalsContact CE2-ND1 3.29Å; F216-H285 WeakPolarHBondContact CE2-ND1 3.34Å; F216-H285 AromaticContact CZ-ND1 3.97Å
217F97.9Very high97.9Very high81 Ų8137.8 Ų37.836%0.35523%0.225SC..THydrogen-bonded Turntrans-60.7139.2177.6-178.9-93.6000110.7H153 H190H153-F217 AromaticContact CD2-CE1 3.74Å; H153-F217 AromaticContact CE1-CE1 3.61Å; H153-F217 AromaticContact CG-CE1 3.92Å; H153-F217 AromaticContact ND1-CE1 3.83Å; H153-F217 AromaticContact NE2-CE1 3.5Å; H153-F217 WeakPolarHBondContact NE2-CE1 3.46Å; H190-F217 PolarHBondContact CD2-O 3.02Å
218P98Very high97.9Very high31 Ų3145.7 Ų45.720%0.20126%0.256CS..THydrogen-bonded Turncis-89.45.10.235.4-36.2000115.1H191 D193 T220H191-P218 HydrophobicContact CB-CG 4.01Å; D193-P218 HydrophobicContact CB-CG 3.95Å; P218-T220 VanDerWaalsContact C-N 3.28Å; P218-T220 WeakPolarHBondContact CG-OG1 3.41Å; P218-T220 PolarHBondContact O-N 2.8Å
219G97Very high97.8Very high47 Ų4748.1 Ų48.149%0.48528%0.281SS..  trans796.2-177.700000114.8F216F216-G219 WeakPolarHBondContact O-CA 3.39Å; F216-G219 PolarHBondContact O-N 2.82Å
220T98.2Very high97.7Very high58 Ų5851.1 Ų51.136%0.35631%0.306SS..  trans-111.1178.9174.263.10000110.6H191 D193 F213 P218H191-T220 VanDerWaalsContact ND1-C 3.31Å; H191-T220 PolarHBondContact ND1-OG1 3.1Å; D193-T220 VanDerWaalsContact CB-OG1 3.32Å; D193-T220 WeakPolarHBondContact CB-OG1 3.25Å; F213-T220 WeakPolarHBondContact CD2-O 3.24Å; F213-T220 WeakPolarHBondContact CE2-O 3.28Å; P218-T220 VanDerWaalsContact C-N 3.28Å; P218-T220 WeakPolarHBondContact CG-OG1 3.41Å; P218-T220 PolarHBondContact O-N 2.8Å
221G98.3Very high97.7Very high0 Ų051.1 Ų51.10%031%0.306CS..  trans88.531.2-179.100000112.2H191 H211 D225 N237H191-G221 VanDerWaalsContact CE1-CA 3.41Å; H191-G221 WeakPolarHBondContact CE1-CA 3.49Å; H191-G221 PolarHBondContact CE1-N 2.63Å; H191-G221 VanDerWaalsContact ND1-CA 3.28Å; H191-G221 WeakPolarHBondContact ND1-CA 3.41Å; H191-G221 PolarHBondContact ND1-N 2.9Å; H191-G221 VanDerWaalsContact ND1-N 3.12Å; H211-G221 PolarHBondContact NE2-O 3.14Å; G221-D225 PolarHBondContact N-OD2 3.38Å; G221-N237 WeakPolarHBondContact O-CB 3.26Å
222S98.3Very high97.7Very high17 Ų1755.8 Ų55.812%0.11933%0.326CS..  trans-66.4157.4174.276.10000110.6F213 S224 D225 N237F213-S222 VanDerWaalsContact CZ-CB 3.48Å; S222-S224 PolarHBondContact O-N 3.42Å; S222-S224 PolarHBondContact OG-N 3.3Å; S222-S224 PolarHBondContact OG-OG 2.82Å; S222-D225 WeakPolarHBondContact CB-OD2 3.43Å; S222-D225 PolarHBondContact N-OD2 2.89Å; S222-D225 WeakPolarHBondContact O-CB 3.48Å; S222-D225 PolarHBondContact O-N 2.84Å; S222-D225 PolarHBondContact OG-N 3.31Å; S222-D225 PolarHBondContact OG-OD1 3.24Å; S222-D225 PolarHBondContact OG-OD2 3.43Å; S222-N237 WeakPolarHBondContact O-CB 3.34Å
223L98.4Very high97.6Very high42 Ų4256.1 Ų56.122%0.2233%0.327CS..THydrogen-bonded Turntrans-60.6-13.6173-174.957.2000113.3P239 V374 K377 L378 Y381L223-P239 HydrophobicContact CB-CG 4.04Å; L223-V374 HydrophobicContact CD1-CG1 4.08Å; L223-V374 HydrophobicContact CD2-CG1 4.47Å; L223-V374 HydrophobicContact CD2-CG2 4.3Å; L223-K377 HydrophobicContact CD1-CB 4.31Å; L223-K377 HydrophobicContact CD1-CG 4.19Å; L223-K377 HydrophobicContact CD2-CB 3.91Å; L223-K377 HydrophobicContact CD2-CG 3.89Å; L223-K377 HydrophobicContact CG-CB 4.36Å; L223-K377 HydrophobicContact CG-CG 3.97Å; L223-L378 HydrophobicContact CD1-CD2 3.75Å; L223-L378 HydrophobicContact CD1-CG 4.11Å; L223-Y381 HydrophobicContact CD1-CE2 4.14Å; L223-Y381 WeakPolarHBondContact O-CE2 3.5Å; L223-Y381 PolarHBondContact O-OH 3.41Å
224S98.3Very high97.7Very high84 Ų8453.9 Ų53.959%0.58732%0.317SS*.THydrogen-bonded Turntrans-92.4-10.3175.538.40000114S222 I226S222-S224 PolarHBondContact O-N 3.42Å; S222-S224 PolarHBondContact OG-N 3.3Å; S222-S224 PolarHBondContact OG-OG 2.82Å; S224-I226 PolarHBondContact O-N 3.39Å; S224-I226 VanDerWaalsContact O-N 3.16Å
225D98.4Very high97.9Very high42 Ų4252.2 Ų52.223%0.22530%0.299CS..  trans-80.698.6176.5-59.3-30.8000107.9G221 S222 N237G221-D225 PolarHBondContact N-OD2 3.38Å; S222-D225 WeakPolarHBondContact CB-OD2 3.43Å; S222-D225 PolarHBondContact N-OD2 2.89Å; S222-D225 WeakPolarHBondContact O-CB 3.48Å; S222-D225 PolarHBondContact O-N 2.84Å; S222-D225 PolarHBondContact OG-N 3.31Å; S222-D225 PolarHBondContact OG-OD1 3.24Å; S222-D225 PolarHBondContact OG-OD2 3.43Å; D225-N237 PolarHBondContact O-ND2 2.96Å
226I98.5Very high98.1Very high25 Ų2544.1 Ų44.113%0.12826%0.255CS..  trans-123.213.1-16861.1167.8000113.5S224 K232 Y233 A235 Y381S224-I226 PolarHBondContact O-N 3.39Å; S224-I226 VanDerWaalsContact O-N 3.16Å; I226-K232 HydrophobicContact CD1-CG 4.19Å; I226-K232 CarbonylContact O-C 3.27Å; I226-K232 WeakPolarHBondContact O-CA 3.32Å; I226-Y233 HydrophobicContact CD1-CD1 4.01Å; I226-Y233 HydrophobicContact CD1-CE1 3.74Å; I226-Y233 WeakPolarHBondContact O-CA 3.22Å; I226-Y233 PolarHBondContact O-N 3.41Å; I226-A235 WeakPolarHBondContact CA-O 3.4Å; I226-Y381 HydrophobicContact CG2-CD1 4.49Å; I226-Y381 HydrophobicContact CG2-CD2 3.78Å; I226-Y381 HydrophobicContact CG2-CE1 4.15Å; I226-Y381 HydrophobicContact CG2-CE2 3.39Å; I226-Y381 HydrophobicContact CG2-CG 4.32Å
227G98.4Very high98.2Very high7 Ų742.8 Ų42.87%0.07225%0.25CC..  trans81175.1-17300000113.3Y200Y200-G227 VanDerWaalsContact CE1-C 3.49Å; Y200-G227 VanDerWaalsContact CZ-CA 3.43Å; Y200-G227 CarbonylContact O-C 3.54Å; Y200-G227 VanDerWaalsContact O-CA 3.28Å; Y200-G227 WeakPolarHBondContact O-CA 3.34Å
228Y98.4Very high98.2Very high172 Ų17238.9 Ų38.968%0.67523%0.233SC*.  trans-141.1153.7-173.7-175.8-96000112Y200 T201 A230 G231Y200-Y228 PolarHBondContact O-N 3.16Å; T201-Y228 WeakPolarHBondContact CA-O 3.42Å; T201-Y228 HydrophobicContact CG2-CD1 4.26Å; Y228-A230 PolarHBondContact O-N 2.85Å; Y228-G231 PolarHBondContact O-N 2.86Å
229G97.6Very high98.2Very high52 Ų5237.7 Ų37.754%0.53623%0.225SC..G310 helixtrans58.1-126.6179.200000111.8G231 K232G229-G231 VanDerWaalsContact C-N 3.28Å; G229-G231 PolarHBondContact O-N 2.94Å; G229-K232 WeakPolarHBondContact O-CB 3.47Å; G229-K232 PolarHBondContact O-N 2.75Å
230A96.8Very high98.3Very high65 Ų6535.5 Ų35.554%0.53720%0.202SC..G310 helixtrans-66.3-28.9177.200000112.8Y228 K232Y228-A230 PolarHBondContact O-N 2.85Å; A230-K232 VanDerWaalsContact C-N 3.28Å; A230-K232 PolarHBondContact O-N 3.46Å
231G97.8Very high98.3Very high1 Ų138.2 Ų38.21%0.0121%0.206CC..G310 helixtrans-82.14.8177.100000115T201 T202 Y228 G229 Y233 Y234T201-G231 VanDerWaalsContact C-N 3.32Å; T201-G231 PolarHBondContact O-N 3.38Å; T201-G231 VanDerWaalsContact O-N 3.14Å; T202-G231 WeakPolarHBondContact O-CA 3.45Å; Y228-G231 PolarHBondContact O-N 2.86Å; G229-G231 VanDerWaalsContact C-N 3.28Å; G229-G231 PolarHBondContact O-N 2.94Å; G231-Y233 PolarHBondContact O-N 3.29Å; G231-Y234 WeakPolarHBondContact O-CB 3.27Å; G231-Y234 PolarHBondContact O-N 3.04Å
232K98.2Very high98.3Very high98 Ų9838.8 Ų38.843%0.42621%0.211SC..THydrogen-bonded Turntrans-63.4130.1177.2-169.2-179.7-179.9-1790110.7I226 G229 A230 Y234I226-K232 HydrophobicContact CD1-CG 4.19Å; I226-K232 CarbonylContact O-C 3.27Å; I226-K232 WeakPolarHBondContact O-CA 3.32Å; G229-K232 WeakPolarHBondContact O-CB 3.47Å; G229-K232 PolarHBondContact O-N 2.75Å; A230-K232 VanDerWaalsContact C-N 3.28Å; A230-K232 PolarHBondContact O-N 3.46Å; K232-Y234 VanDerWaalsContact C-N 3.3Å; K232-Y234 WeakPolarHBondContact O-CD2 3.4Å
233Y98.3Very high98.3Very high45 Ų4538 Ų3818%0.17621%0.205CC..THydrogen-bonded Turntrans727.3-169.3-48.5-71.2000116.1I226 G231 Y381 H384I226-Y233 HydrophobicContact CD1-CD1 4.01Å; I226-Y233 HydrophobicContact CD1-CE1 3.74Å; I226-Y233 WeakPolarHBondContact O-CA 3.22Å; I226-Y233 PolarHBondContact O-N 3.41Å; G231-Y233 PolarHBondContact O-N 3.29Å; Y233-Y381 AromaticContact CD1-CD1 3.87Å; Y233-Y381 HydrophobicContact CD1-CD1 3.87Å; Y233-Y381 HydrophobicContact CD1-CG 4.05Å; Y233-Y381 AromaticContact CE1-CD1 3.75Å; Y233-Y381 HydrophobicContact CE1-CD1 3.75Å; Y233-Y381 HydrophobicContact CE1-CE1 4.41Å; Y233-Y381 HydrophobicContact CE1-CG 4.4Å; Y233-H384 HydrophobicContact CD1-CB 4.27Å; Y233-H384 HydrophobicContact CD2-CB 3.55Å; Y233-H384 HydrophobicContact CE1-CB 4.25Å; Y233-H384 AromaticContact CE1-CD2 3.72Å; Y233-H384 HydrophobicContact CE2-CB 3.54Å; Y233-H384 AromaticContact CE2-CG 3.77Å; Y233-H384 HydrophobicContact CG-CB 3.92Å; Y233-H384 AromaticContact CZ-CD2 3.64Å; Y233-H384 AromaticContact CZ-CG 3.66Å
234Y98.5Very high98.3Very high27 Ų2736 Ų3611%0.10620%0.195CC..  trans-99.3-4175.3-67-102.6000113.4D203 M206 T207 G231 K232 Y264 L385D203-Y234 HydrophobicContact CB-CD1 4.13Å; D203-Y234 HydrophobicContact CB-CD2 4.1Å; D203-Y234 HydrophobicContact CB-CE1 3.69Å; D203-Y234 HydrophobicContact CB-CE2 3.68Å; D203-Y234 HydrophobicContact CB-CG 4.32Å; D203-Y234 VanDerWaalsContact CB-CZ 3.46Å; D203-Y234 WeakPolarHBondContact O-CD1 3.32Å; D203-Y234 WeakPolarHBondContact O-CE1 3.41Å; M206-Y234 CarbonylContact C-O 3.51Å; M206-Y234 WeakPolarHBondContact CA-O 3.48Å; M206-Y234 HydrophobicContact CB-CD1 4.46Å; M206-Y234 HydrophobicContact CE-CD1 3.62Å; M206-Y234 HydrophobicContact CE-CE1 4.17Å; M206-Y234 HydrophobicContact CE-CG 4.07Å; M206-Y234 WeakPolarHBondContact CG-O 3.32Å; T207-Y234 PolarHBondContact N-O 3.18Å; G231-Y234 WeakPolarHBondContact O-CB 3.27Å; G231-Y234 PolarHBondContact O-N 3.04Å; K232-Y234 VanDerWaalsContact C-N 3.3Å; K232-Y234 WeakPolarHBondContact O-CD2 3.4Å; Y234-Y264 HydrophobicContact CD1-CD2 4.05Å; Y234-Y264 AromaticContact CD1-CE2 3.74Å; Y234-Y264 HydrophobicContact CD1-CE2 3.74Å; Y234-Y264 AromaticContact CE1-CD2 3.77Å; Y234-Y264 HydrophobicContact CE1-CD2 3.77Å; Y234-Y264 AromaticContact CE1-CE2 3.6Å; Y234-Y264 HydrophobicContact CE1-CE2 3.6Å; Y234-L385 HydrophobicContact CD1-CD2 4.43Å; Y234-L385 HydrophobicContact CD2-CD2 3.98Å; Y234-L385 HydrophobicContact CE1-CD2 4.06Å; Y234-L385 HydrophobicContact CE2-CD2 3.55Å; Y234-L385 HydrophobicContact CG-CD2 4.38Å
235A98.7Very high98.3Very high2 Ų234.2 Ų34.22%0.01718%0.181CC..EExtended strand (participates in β ladder)trans-105.4121.7165.100000109.6E196 Y200 T207 I226E196-A235 HydrophobicContact CG-CB 4.07Å; Y200-A235 HydrophobicContact CD2-CB 4.47Å; Y200-A235 HydrophobicContact CE2-CB 4.44Å; T207-A235 WeakPolarHBondContact OG1-CA 3.29Å; I226-A235 WeakPolarHBondContact CA-O 3.4Å
236L98.8Very high98.3Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-123.6119-178.4-61178.6000110.1M206 T207 L208 S209 V260 L378 Y381 L382M206-L236 HydrophobicContact SD-CD1 4.16Å; T207-L236 PolarHBondContact O-N 2.93Å; L208-L236 VanDerWaalsContact CA-O 3.28Å; L208-L236 WeakPolarHBondContact CA-O 3.19Å; L208-L236 HydrophobicContact CD1-CB 3.78Å; S209-L236 PolarHBondContact N-O 2.97Å; L236-V260 HydrophobicContact CD1-CG2 3.63Å; L236-L378 HydrophobicContact CB-CD2 4.3Å; L236-L378 HydrophobicContact CD2-CD2 4.13Å; L236-Y381 HydrophobicContact CD2-CD2 4.35Å; L236-L382 HydrophobicContact CD1-CD2 3.8Å; L236-L382 HydrophobicContact CD1-CG 4.15Å
237N98.9Very high98.3Very high2 Ų237.8 Ų37.81%0.01120%0.2CC..EExtended strand (participates in β ladder)trans-114.2126.1-179.9-69.8-60.8000110.8H191 E196 H211 G221 S222 D225 P239H191-N237 PolarHBondContact CD2-OD1 3.32Å; H191-N237 PolarHBondContact NE2-OD1 3.25Å; H191-N237 VanDerWaalsContact NE2-OD1 3.13Å; E196-N237 PolarHBondContact OE1-ND2 3.48Å; E196-N237 PolarHBondContact OE2-ND2 3.11Å; E196-N237 PolarHBondContact OE2-OD1 3.27Å; H211-N237 PolarHBondContact CE1-OD1 3.45Å; G221-N237 WeakPolarHBondContact O-CB 3.26Å; S222-N237 WeakPolarHBondContact O-CB 3.34Å; D225-N237 PolarHBondContact O-ND2 2.96Å; N237-P239 VanDerWaalsContact C-CD 3.42Å; N237-P239 WeakPolarHBondContact O-CD 3.44Å
238F98.8Very high98.2Very high0 Ų040.2 Ų40.20%021%0.207CC..EExtended strand (participates in β ladder)trans-104.285.2171.2-153.8-54.4000108.7S209 F210 H211 L240 I252 T256 L371 V374 M375 L378S209-F238 PolarHBondContact O-N 2.98Å; F210-F238 HydrophobicContact CD1-CB 3.46Å; F210-F238 VanDerWaalsContact CD1-CB 3.46Å; F210-F238 HydrophobicContact CD1-CD1 4.42Å; F210-F238 AromaticContact CD1-CD2 3.89Å; F210-F238 HydrophobicContact CD1-CD2 3.89Å; F210-F238 AromaticContact CD1-CG 3.67Å; F210-F238 HydrophobicContact CD1-CG 3.67Å; F210-F238 HydrophobicContact CE1-CB 3.84Å; F210-F238 AromaticContact CE1-CD2 3.53Å; F210-F238 HydrophobicContact CE1-CD2 3.53Å; F210-F238 HydrophobicContact CE1-CE2 4.33Å; F210-F238 AromaticContact CE1-CG 3.82Å; F210-F238 HydrophobicContact CE1-CG 3.82Å; F210-F238 HydrophobicContact CG-CB 4.06Å; H211-F238 PolarHBondContact N-O 2.67Å; F238-L240 HydrophobicContact CD1-CD2 3.6Å; F238-L240 HydrophobicContact CD1-CG 4.38Å; F238-L240 HydrophobicContact CE1-CD2 3.83Å; F238-L240 PolarHBondContact O-N 2.91Å; F238-I252 HydrophobicContact CD1-CD1 3.97Å; F238-I252 HydrophobicContact CD2-CD1 4.49Å; F238-I252 HydrophobicContact CE1-CB 4.5Å; F238-I252 HydrophobicContact CE1-CD1 3.63Å; F238-I252 HydrophobicContact CE2-CB 3.84Å; F238-I252 HydrophobicContact CE2-CD1 4.17Å; F238-I252 HydrophobicContact CE2-CG1 4.49Å; F238-I252 HydrophobicContact CE2-CG2 4.33Å; F238-I252 HydrophobicContact CG-CD1 4.41Å; F238-I252 HydrophobicContact CZ-CB 3.73Å; F238-I252 HydrophobicContact CZ-CD1 3.74Å; F238-I252 HydrophobicContact CZ-CG1 4.31Å; F238-I252 HydrophobicContact CZ-CG2 3.77Å; F238-T256 HydrophobicContact CD2-CG2 4.48Å; F238-L371 HydrophobicContact CE1-CD2 3.82Å; F238-L371 HydrophobicContact CZ-CD2 4.27Å; F238-V374 HydrophobicContact CD1-CB 4.43Å; F238-V374 HydrophobicContact CD1-CG1 3.66Å; F238-V374 HydrophobicContact CD2-CG1 4Å; F238-V374 HydrophobicContact CE1-CB 3.88Å; F238-V374 HydrophobicContact CE1-CG1 3.57Å; F238-V374 HydrophobicContact CE1-CG2 4.42Å; F238-V374 HydrophobicContact CE2-CB 4.5Å; F238-V374 HydrophobicContact CE2-CG1 3.93Å; F238-V374 HydrophobicContact CG-CG1 3.86Å; F238-V374 HydrophobicContact CZ-CB 3.91Å; F238-V374 HydrophobicContact CZ-CG1 3.71Å; F238-M375 HydrophobicContact CE2-CG 3.69Å; F238-M375 HydrophobicContact CZ-CG 3.85Å; F238-L378 HydrophobicContact CB-CD1 4.31Å; F238-L378 HydrophobicContact CD2-CD1 3.51Å; F238-L378 HydrophobicContact CE2-CD1 4.12Å; F238-L378 HydrophobicContact CG-CD1 4.2Å
239P98.6Very high98.3Very high5 Ų532.1 Ų32.13%0.03218%0.176CC..EExtended strand (participates in β ladder)trans-65.7127.1177.426.9-34.8000109.8F213 L223 N237 Y370F213-P239 HydrophobicContact CB-CB 3.37Å; F213-P239 HydrophobicContact CD1-CB 3.96Å; F213-P239 HydrophobicContact CG-CB 3.76Å; L223-P239 HydrophobicContact CB-CG 4.04Å; N237-P239 VanDerWaalsContact C-CD 3.42Å; N237-P239 WeakPolarHBondContact O-CD 3.44Å; P239-Y370 PolarHBondContact O-OH 2.79Å
240L98.7Very high98.3Very high1 Ų132.1 Ų32.11%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-108.8156.2178.1-59.3174.6000110.5F210 H211 K212 F213 F238 I244 Y249 I252 L286 L371F210-L240 HydrophobicContact CB-CD1 4.34Å; H211-L240 WeakPolarHBondContact O-CB 3.05Å; H211-L240 PolarHBondContact O-N 2.9Å; K212-L240 WeakPolarHBondContact CA-O 3.45Å; F213-L240 PolarHBondContact N-O 2.74Å; F238-L240 HydrophobicContact CD1-CD2 3.6Å; F238-L240 HydrophobicContact CD1-CG 4.38Å; F238-L240 HydrophobicContact CE1-CD2 3.83Å; F238-L240 PolarHBondContact O-N 2.91Å; L240-I244 HydrophobicContact CD1-CD1 4.37Å; L240-I244 HydrophobicContact CD1-CG2 4.36Å; L240-I244 HydrophobicContact CD2-CD1 3.78Å; L240-Y249 HydrophobicContact CD1-CD2 4.15Å; L240-Y249 HydrophobicContact CD1-CE2 3.74Å; L240-I252 HydrophobicContact CD2-CD1 3.59Å; L240-L286 HydrophobicContact CB-CD2 4.45Å; L240-L286 HydrophobicContact CD1-CD1 4.17Å; L240-L371 HydrophobicContact CD2-CD2 4.28Å
241R98.2Very high98.4Very high116 Ų11633.3 Ų33.344%0.43816%0.157SC..  trans-99.4165166.7-62.4173.8173.5-176.7-0.9109.2H365 N366 Y370R241-H365 HydrophobicContact CB-CB 3.74Å; R241-H365 WeakPolarHBondContact CD-O 3.37Å; R241-N366 PolarHBondContact N-OD1 2.88Å; R241-N366 PolarHBondContact O-ND2 3.03Å; R241-Y370 HydrophobicContact CG-CE1 4.06Å
242G97.9Very high98.4Very high11 Ų1133.2 Ų33.211%0.11316%0.156CC..THydrogen-bonded Turntrans-59.6150.3-179.200000113.2H285 H365G242-H285 CarbonylContact C-O 3.53Å; G242-H285 VanDerWaalsContact CA-O 3.29Å; G242-H285 WeakPolarHBondContact CA-O 3.36Å; G242-H365 WeakPolarHBondContact O-CB 3.27Å; G242-H365 PolarHBondContact O-N 2.94Å
243G98Very high98.4Very high0 Ų028.6 Ų28.60%014%0.136CC..THydrogen-bonded Turntrans83.811.9168.900000117T245 H285 M362 D364G243-T245 PolarHBondContact O-N 2.78Å; G243-H285 PolarHBondContact N-O 3.03Å; G243-M362 WeakPolarHBondContact CA-SD 3.5Å; G243-D364 WeakPolarHBondContact O-CA 3.29Å; G243-D364 WeakPolarHBondContact O-CB 3.34Å
244I98.6Very high98.4Very high0 Ų029.1 Ų29.10%014%0.139CC..  trans-56.4134.6178.1-163161.9000111.5L240 R248 Y249 I252 L286 N287 L288 N366L240-I244 HydrophobicContact CD1-CD1 4.37Å; L240-I244 HydrophobicContact CD1-CG2 4.36Å; L240-I244 HydrophobicContact CD2-CD1 3.78Å; I244-R248 HydrophobicContact CD1-CB 4.44Å; I244-R248 HydrophobicContact CG1-CB 4Å; I244-Y249 HydrophobicContact CD1-CD2 4Å; I244-Y249 HydrophobicContact CG1-CD2 4.41Å; I244-Y249 HydrophobicContact CG2-CD2 3.87Å; I244-I252 HydrophobicContact CD1-CD1 3.86Å; I244-L286 HydrophobicContact CG2-CB 4.07Å; I244-L286 HydrophobicContact CG2-CD1 4.17Å; I244-L286 HydrophobicContact CG2-CD2 3.84Å; I244-L286 HydrophobicContact CG2-CG 4.22Å; I244-N287 CarbonylContact O-C 3.58Å; I244-N287 VanDerWaalsContact O-C 3.29Å; I244-N287 WeakPolarHBondContact O-CA 3.45Å; I244-N287 WeakPolarHBondContact O-CB 3.22Å; I244-N287 PolarHBondContact O-N 3.22Å; I244-L288 HydrophobicContact CG2-CD2 4.25Å; I244-N366 WeakPolarHBondContact CB-ND2 3.46Å
245T98.2Very high98.4Very high47 Ų4730.1 Ų30.129%0.28815%0.149SC..BIsolated β-bridgetrans-97163.9-179.364.90000112.5G243 D247 R248 Y249G243-T245 PolarHBondContact O-N 2.78Å; T245-D247 VanDerWaalsContact C-N 3.33Å; T245-D247 PolarHBondContact O-N 2.87Å; T245-R248 PolarHBondContact O-N 2.9Å; T245-Y249 WeakPolarHBondContact O-CB 3.24Å; T245-Y249 PolarHBondContact O-N 3.3Å
246D98.3Very high98.4Very high27 Ų2730.4 Ų30.414%0.14415%0.151CC..Hα-helixtrans-48.4-48.9178.1-69-3.3000113.7Y249 E250 L288 T289 G292D246-Y249 PolarHBondContact O-N 3.43Å; D246-E250 VanDerWaalsContact O-CB 3.28Å; D246-E250 WeakPolarHBondContact O-CB 3.25Å; D246-E250 PolarHBondContact O-N 3.23Å; D246-L288 VanDerWaalsContact OD1-CA 3.29Å; D246-L288 WeakPolarHBondContact OD1-CA 3.33Å; D246-T289 PolarHBondContact OD1-N 3.01Å; D246-T289 WeakPolarHBondContact OD2-CB 3.16Å; D246-T289 WeakPolarHBondContact OD2-CG2 3.15Å; D246-T289 PolarHBondContact OD2-OG1 3.44Å; D246-G292 WeakPolarHBondContact OD1-CA 3.43Å; D246-G292 PolarHBondContact OD2-N 3.4Å
247D97.8Very high98.4Very high115 Ų11530.4 Ų30.462%0.61515%0.151SC*.Hα-helixtrans-70.3-39.2-174.1-67.5-21.6000111.7T245 M251 K295T245-D247 VanDerWaalsContact C-N 3.33Å; T245-D247 PolarHBondContact O-N 2.87Å; D247-M251 WeakPolarHBondContact O-CB 3.39Å; D247-M251 PolarHBondContact O-N 2.87Å; D247-K295 IonicContact OD1-NZ 2.97Å
248R98Very high98.4Very high59 Ų5932.4 Ų32.422%0.22317%0.165CC..Hα-helixtrans-70.2-40.1175.5-83.7176.8170.2-76.5-15.2111.7I244 T245 M251 I252 D364 N366 D368 L371I244-R248 HydrophobicContact CD1-CB 4.44Å; I244-R248 HydrophobicContact CG1-CB 4Å; T245-R248 PolarHBondContact O-N 2.9Å; R248-M251 HydrophobicContact CG-CE 4.34Å; R248-M251 WeakPolarHBondContact O-CB 3.37Å; R248-M251 PolarHBondContact O-N 2.79Å; R248-I252 PolarHBondContact O-N 3.27Å; R248-D364 WeakPolarHBondContact CD-OD2 3.49Å; R248-D364 IonicContact NE-OD2 2.6Å; R248-N366 PolarHBondContact NH1-O 3.21Å; R248-D368 IonicContact CZ-OD1 3.72Å; R248-D368 IonicContact CZ-OD2 3.11Å; R248-D368 IonicContact NH1-OD1 3.65Å; R248-D368 PolarHBondContact NH1-OD1 2.83Å; R248-D368 IonicContact NH2-OD1 3.83Å; R248-D368 PolarHBondContact NH2-OD1 3.44Å; R248-D368 IonicContact NH2-OD2 2.68Å; R248-D368 PolarHBondContact NH2-OD2 2.68Å; R248-L371 HydrophobicContact CB-CD1 4.39Å
249Y98.7Very high98.3Very high2 Ų235 Ų351%0.00818%0.176CC..Hα-helixtrans-63.2-44.8175.5-162.4-83.8000110.9I187 F210 L240 I244 T245 D246 M251 I252 F253 L288 C296I187-Y249 WeakPolarHBondContact CB-OH 3.41Å; I187-Y249 WeakPolarHBondContact CG2-OH 3.43Å; F210-Y249 HydrophobicContact CB-CE2 4.19Å; F210-Y249 VanDerWaalsContact CB-OH 3.22Å; F210-Y249 WeakPolarHBondContact CB-OH 3.39Å; L240-Y249 HydrophobicContact CD1-CD2 4.15Å; L240-Y249 HydrophobicContact CD1-CE2 3.74Å; I244-Y249 HydrophobicContact CD1-CD2 4Å; I244-Y249 HydrophobicContact CG1-CD2 4.41Å; I244-Y249 HydrophobicContact CG2-CD2 3.87Å; T245-Y249 WeakPolarHBondContact O-CB 3.24Å; T245-Y249 PolarHBondContact O-N 3.3Å; D246-Y249 PolarHBondContact O-N 3.43Å; Y249-M251 VanDerWaalsContact C-N 3.33Å; Y249-M251 PolarHBondContact O-N 3.17Å; Y249-I252 WeakPolarHBondContact O-CG1 3.48Å; Y249-I252 PolarHBondContact O-N 3.22Å; Y249-F253 HydrophobicContact CD1-CB 4.04Å; Y249-F253 HydrophobicContact CE1-CB 4.04Å; Y249-F253 AromaticContact CE1-CD2 3.76Å; Y249-F253 HydrophobicContact CE1-CD2 3.76Å; Y249-F253 HydrophobicContact CE1-CG 4.12Å; Y249-F253 WeakPolarHBondContact O-CB 3.12Å; Y249-F253 PolarHBondContact O-N 3.21Å; Y249-L288 HydrophobicContact CD1-CD1 4.33Å; Y249-L288 HydrophobicContact CD2-CD1 3.98Å; Y249-L288 HydrophobicContact CD2-CD2 4Å; Y249-L288 HydrophobicContact CD2-CG 4.49Å; Y249-L288 HydrophobicContact CE1-CD1 4.43Å; Y249-L288 HydrophobicContact CE2-CD1 4.07Å; Y249-L288 HydrophobicContact CG-CD1 4.1Å; Y249-L288 HydrophobicContact CG-CD2 3.86Å; Y249-C296 WeakPolarHBondContact CE1-SG 3.34Å
250E98.4Very high98.3Very high51 Ų5134.8 Ų34.824%0.23818%0.175CC..Hα-helixtrans-60.8-41.5175.6-176.5177.6-179.600112.4D246 I252 F253 K254 K295D246-E250 VanDerWaalsContact O-CB 3.28Å; D246-E250 WeakPolarHBondContact O-CB 3.25Å; D246-E250 PolarHBondContact O-N 3.23Å; E250-I252 PolarHBondContact O-N 2.84Å; E250-F253 PolarHBondContact O-N 3.09Å; E250-K254 HydrophobicContact CG-CD 3.73Å; E250-K254 HydrophobicContact CG-CG 4.12Å; E250-K254 PolarHBondContact O-N 3Å; E250-K254 WeakPolarHBondContact OE1-CE 3.11Å; E250-K254 IonicContact OE1-NZ 3.82Å; E250-K254 PolarHBondContact OE1-NZ 3.3Å; E250-K295 VanDerWaalsContact OE2-CD 3.23Å; E250-K295 WeakPolarHBondContact OE2-CD 3.33Å; E250-K295 WeakPolarHBondContact OE2-CE 3.46Å; E250-K295 IonicContact OE2-NZ 3.82Å; E250-K295 PolarHBondContact OE2-NZ 3.35Å
251M98.1Very high98.3Very high90 Ų9035.8 Ų35.844%0.44318%0.18SC..Hα-helixtrans-60.2-31.8178-179.6179.865.800112.8D247 R248 Y249 P255 L371D247-M251 WeakPolarHBondContact O-CB 3.39Å; D247-M251 PolarHBondContact O-N 2.87Å; R248-M251 HydrophobicContact CG-CE 4.34Å; R248-M251 WeakPolarHBondContact O-CB 3.37Å; R248-M251 PolarHBondContact O-N 2.79Å; Y249-M251 VanDerWaalsContact C-N 3.33Å; Y249-M251 PolarHBondContact O-N 3.17Å; M251-P255 WeakPolarHBondContact O-CD 3.28Å; M251-P255 VanDerWaalsContact O-CG 3.24Å; M251-P255 WeakPolarHBondContact O-CG 3.36Å; M251-L371 HydrophobicContact CE-CD1 4.18Å
252I98.6Very high98.2Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-92.5-39.317763.1167.4000112.7F210 F238 L240 I244 R248 Y249 E250 T256 L371 M375F210-I252 HydrophobicContact CD1-CD1 4.21Å; F210-I252 HydrophobicContact CE1-CD1 4.5Å; F238-I252 HydrophobicContact CD1-CD1 3.97Å; F238-I252 HydrophobicContact CD2-CD1 4.49Å; F238-I252 HydrophobicContact CE1-CB 4.5Å; F238-I252 HydrophobicContact CE1-CD1 3.63Å; F238-I252 HydrophobicContact CE2-CB 3.84Å; F238-I252 HydrophobicContact CE2-CD1 4.17Å; F238-I252 HydrophobicContact CE2-CG1 4.49Å; F238-I252 HydrophobicContact CE2-CG2 4.33Å; F238-I252 HydrophobicContact CG-CD1 4.41Å; F238-I252 HydrophobicContact CZ-CB 3.73Å; F238-I252 HydrophobicContact CZ-CD1 3.74Å; F238-I252 HydrophobicContact CZ-CG1 4.31Å; F238-I252 HydrophobicContact CZ-CG2 3.77Å; L240-I252 HydrophobicContact CD2-CD1 3.59Å; I244-I252 HydrophobicContact CD1-CD1 3.86Å; R248-I252 PolarHBondContact O-N 3.27Å; Y249-I252 WeakPolarHBondContact O-CG1 3.48Å; Y249-I252 PolarHBondContact O-N 3.22Å; E250-I252 PolarHBondContact O-N 2.84Å; I252-T256 WeakPolarHBondContact O-CB 3.47Å; I252-T256 PolarHBondContact O-N 2.66Å; I252-T256 PolarHBondContact O-OG1 2.67Å; I252-L371 HydrophobicContact CD1-CD2 4.33Å; I252-L371 HydrophobicContact CG2-CB 4Å; I252-L371 HydrophobicContact CG2-CD1 3.97Å; I252-L371 HydrophobicContact CG2-CD2 4.15Å; I252-L371 HydrophobicContact CG2-CG 4.26Å; I252-M375 HydrophobicContact CB-SD 4.36Å; I252-M375 HydrophobicContact CG2-CG 4.49Å; I252-M375 HydrophobicContact CG2-SD 3.93Å
253F98.8Very high98.2Very high1 Ų140.9 Ų40.90%0.00420%0.196CC..Hα-helixtrans-67.7-53.4-171.5-177.8-90.9000110.6I185 I187 F210 Y249 E250 T256 V257 C296 F299 V300I185-F253 HydrophobicContact CG2-CE2 3.98Å; I185-F253 HydrophobicContact CG2-CZ 4.14Å; I187-F253 HydrophobicContact CG2-CD2 4.25Å; I187-F253 HydrophobicContact CG2-CE2 3.54Å; I187-F253 HydrophobicContact CG2-CZ 4.3Å; F210-F253 AromaticContact CD2-CD2 3.93Å; F210-F253 HydrophobicContact CD2-CD2 3.93Å; F210-F253 HydrophobicContact CD2-CE2 4.12Å; F210-F253 HydrophobicContact CE1-CD2 4.3Å; F210-F253 AromaticContact CE2-CD2 3.59Å; F210-F253 HydrophobicContact CE2-CD2 3.59Å; F210-F253 AromaticContact CE2-CE2 3.81Å; F210-F253 HydrophobicContact CE2-CE2 3.81Å; F210-F253 HydrophobicContact CG-CD2 4.41Å; F210-F253 AromaticContact CZ-CD2 3.81Å; F210-F253 HydrophobicContact CZ-CD2 3.81Å; F210-F253 HydrophobicContact CZ-CE2 4.42Å; F210-F253 HydrophobicContact CZ-CG 4.49Å; Y249-F253 HydrophobicContact CD1-CB 4.04Å; Y249-F253 HydrophobicContact CE1-CB 4.04Å; Y249-F253 AromaticContact CE1-CD2 3.76Å; Y249-F253 HydrophobicContact CE1-CD2 3.76Å; Y249-F253 HydrophobicContact CE1-CG 4.12Å; Y249-F253 WeakPolarHBondContact O-CB 3.12Å; Y249-F253 PolarHBondContact O-N 3.21Å; E250-F253 PolarHBondContact O-N 3.09Å; F253-T256 PolarHBondContact O-N 2.95Å; F253-V257 HydrophobicContact CD1-CG2 4.08Å; F253-V257 HydrophobicContact CD2-CG2 4.09Å; F253-V257 HydrophobicContact CE1-CG2 3.85Å; F253-V257 HydrophobicContact CE2-CG2 3.85Å; F253-V257 HydrophobicContact CG-CG2 4.2Å; F253-V257 HydrophobicContact CZ-CG2 3.73Å; F253-V257 WeakPolarHBondContact O-CB 3.47Å; F253-V257 VanDerWaalsContact O-CG2 3.29Å; F253-V257 WeakPolarHBondContact O-CG2 3.5Å; F253-V257 PolarHBondContact O-N 2.89Å; F253-C296 HydrophobicContact CD1-CB 4.19Å; F253-C296 HydrophobicContact CE1-CB 3.69Å; F253-C296 HydrophobicContact CE2-CB 4.11Å; F253-C296 HydrophobicContact CZ-CB 3.64Å; F253-F299 HydrophobicContact CD1-CD1 4.3Å; F253-F299 HydrophobicContact CE1-CB 4.43Å; F253-F299 AromaticContact CE1-CD1 3.98Å; F253-F299 HydrophobicContact CE1-CD1 3.98Å; F253-V300 HydrophobicContact CE1-CG2 4.14Å; F253-V300 HydrophobicContact CZ-CG2 4.01Å
254K98.6Very high98.1Very high55 Ų5541.3 Ų41.324%0.23920%0.197CC..Hα-helixtrans-60.6-49.4-174.9-65.1-174.7168.8177.70112.5E250 S258 F299E250-K254 HydrophobicContact CG-CD 3.73Å; E250-K254 HydrophobicContact CG-CG 4.12Å; E250-K254 PolarHBondContact O-N 3Å; E250-K254 WeakPolarHBondContact OE1-CE 3.11Å; E250-K254 IonicContact OE1-NZ 3.82Å; E250-K254 PolarHBondContact OE1-NZ 3.3Å; K254-S258 VanDerWaalsContact O-CB 3.26Å; K254-S258 WeakPolarHBondContact O-CB 3.19Å; K254-S258 PolarHBondContact O-N 3.34Å; K254-S258 PolarHBondContact O-OG 2.74Å; K254-F299 HydrophobicContact CB-CD2 4.09Å; K254-F299 HydrophobicContact CB-CE2 4Å; K254-F299 HydrophobicContact CB-CG 4.41Å; K254-F299 HydrophobicContact CB-CZ 4.27Å; K254-F299 HydrophobicContact CD-CD2 3.81Å; K254-F299 HydrophobicContact CD-CE2 4.33Å; K254-F299 HydrophobicContact CD-CG 4.35Å; K254-F299 HydrophobicContact CG-CB 4.3Å; K254-F299 HydrophobicContact CG-CD1 4.31Å; K254-F299 HydrophobicContact CG-CD2 3.61Å; K254-F299 HydrophobicContact CG-CE2 4.06Å; K254-F299 HydrophobicContact CG-CG 3.78Å
255P98.3Very high98.1Very high49 Ų4946 Ų4632%0.31822%0.219SC..Hα-helixtrans-67.1-38.8179.6-22.636.8000112.6M251 K259 M375M251-P255 WeakPolarHBondContact O-CD 3.28Å; M251-P255 VanDerWaalsContact O-CG 3.24Å; M251-P255 WeakPolarHBondContact O-CG 3.36Å; P255-K259 VanDerWaalsContact O-CG 3.29Å; P255-K259 WeakPolarHBondContact O-CG 3.29Å; P255-K259 PolarHBondContact O-N 2.85Å; P255-M375 HydrophobicContact CB-CE 3.72Å; P255-M375 HydrophobicContact CG-CE 4.09Å
256T98.6Very high98.1Very high7 Ų744.1 Ų44.14%0.04321%0.208CC..Hα-helixtrans-63.7-53.6179.3-570000110.6L208 F210 F238 I252 F253 S258 K259 V260 L378L208-T256 HydrophobicContact CD1-CG2 4.07Å; L208-T256 HydrophobicContact CD2-CG2 4.42Å; F210-T256 HydrophobicContact CE1-CG2 4.34Å; F210-T256 HydrophobicContact CZ-CG2 3.92Å; F238-T256 HydrophobicContact CD2-CG2 4.48Å; I252-T256 WeakPolarHBondContact O-CB 3.47Å; I252-T256 PolarHBondContact O-N 2.66Å; I252-T256 PolarHBondContact O-OG1 2.67Å; F253-T256 PolarHBondContact O-N 2.95Å; T256-S258 VanDerWaalsContact C-N 3.33Å; T256-S258 PolarHBondContact O-N 2.88Å; T256-K259 PolarHBondContact O-N 3.44Å; T256-K259 VanDerWaalsContact O-N 3.16Å; T256-V260 WeakPolarHBondContact O-CG2 3.48Å; T256-V260 PolarHBondContact O-N 3.21Å; T256-L378 HydrophobicContact CG2-CD1 4.05Å
257V98.7Very high98.1Very high0 Ų045.9 Ų45.90%022%0.215CC..Hα-helixtrans-61.9-40.6179177.20000111.2I185 L208 F210 F253 K259 V260 I261 F299 V300I185-V257 HydrophobicContact CD1-CG1 3.91Å; I185-V257 HydrophobicContact CD1-CG2 4.47Å; L208-V257 HydrophobicContact CD2-CG2 3.76Å; F210-V257 HydrophobicContact CE2-CG2 4.21Å; F210-V257 HydrophobicContact CZ-CG2 4.24Å; F253-V257 HydrophobicContact CD1-CG2 4.08Å; F253-V257 HydrophobicContact CD2-CG2 4.09Å; F253-V257 HydrophobicContact CE1-CG2 3.85Å; F253-V257 HydrophobicContact CE2-CG2 3.85Å; F253-V257 HydrophobicContact CG-CG2 4.2Å; F253-V257 HydrophobicContact CZ-CG2 3.73Å; F253-V257 WeakPolarHBondContact O-CB 3.47Å; F253-V257 VanDerWaalsContact O-CG2 3.29Å; F253-V257 WeakPolarHBondContact O-CG2 3.5Å; F253-V257 PolarHBondContact O-N 2.89Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 3.31Å; V257-V260 PolarHBondContact O-N 3.47Å; V257-I261 HydrophobicContact CG1-CD1 3.75Å; V257-I261 HydrophobicContact CG1-CG1 4.27Å; V257-I261 WeakPolarHBondContact O-CG1 3.4Å; V257-I261 PolarHBondContact O-N 2.82Å; V257-F299 HydrophobicContact CB-CD1 4.33Å; V257-F299 HydrophobicContact CB-CE1 3.85Å; V257-F299 HydrophobicContact CG1-CD1 4.19Å; V257-F299 HydrophobicContact CG1-CE1 3.76Å; V257-V300 HydrophobicContact CG1-CG2 4.49Å
258S98.4Very high98.2Very high44 Ų4440.4 Ų40.431%0.30819%0.186SC..Hα-helixtrans-56.4-46.1174.9-620000112.3K254 T256 R262 F299K254-S258 VanDerWaalsContact O-CB 3.26Å; K254-S258 WeakPolarHBondContact O-CB 3.19Å; K254-S258 PolarHBondContact O-N 3.34Å; K254-S258 PolarHBondContact O-OG 2.74Å; T256-S258 VanDerWaalsContact C-N 3.33Å; T256-S258 PolarHBondContact O-N 2.88Å; S258-R262 VanDerWaalsContact O-CB 3.29Å; S258-R262 WeakPolarHBondContact O-CB 3.15Å; S258-R262 PolarHBondContact O-N 3.1Å; S258-F299 WeakPolarHBondContact OG-CZ 3.29Å
259K97.6Very high98.2Very high56 Ų5637.7 Ų37.724%0.24318%0.176CC..Hα-helixtrans-68.2-42.5-179.2-74.1179.3173.2-161.70111.2P255 T256 V257 R262 R263 D379 L382P255-K259 VanDerWaalsContact O-CG 3.29Å; P255-K259 WeakPolarHBondContact O-CG 3.29Å; P255-K259 PolarHBondContact O-N 2.85Å; T256-K259 PolarHBondContact O-N 3.44Å; T256-K259 VanDerWaalsContact O-N 3.16Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 3.31Å; K259-R262 PolarHBondContact O-N 3.09Å; K259-R263 VanDerWaalsContact O-CB 3.29Å; K259-R263 WeakPolarHBondContact O-CB 3.32Å; K259-R263 PolarHBondContact O-N 3.04Å; K259-D379 WeakPolarHBondContact CD-OD1 3.06Å; K259-D379 IonicContact NZ-OD1 3.75Å; K259-D379 PolarHBondContact NZ-OD1 3.47Å; K259-D379 IonicContact NZ-OD2 3.81Å; K259-D379 PolarHBondContact NZ-OD2 2.89Å; K259-L382 HydrophobicContact CB-CD1 4Å
260V98.4Very high98.2Very high0 Ų037.6 Ų37.60%018%0.175CC..Hα-helixtrans-57.6-54.4175.4169.50000110.3L183 M206 L208 L236 T256 V257 R262 R263 Y264 L382L183-V260 HydrophobicContact CD1-CG1 3.62Å; L183-V260 HydrophobicContact CD2-CG1 3.9Å; L183-V260 HydrophobicContact CG-CG1 4.44Å; M206-V260 HydrophobicContact SD-CG1 3.63Å; L208-V260 HydrophobicContact CD2-CG2 4.15Å; L236-V260 HydrophobicContact CD1-CG2 3.63Å; T256-V260 WeakPolarHBondContact O-CG2 3.48Å; T256-V260 PolarHBondContact O-N 3.21Å; V257-V260 PolarHBondContact O-N 3.47Å; V260-R262 VanDerWaalsContact C-N 3.32Å; V260-R262 PolarHBondContact O-N 2.89Å; V260-R263 PolarHBondContact O-N 2.86Å; V260-R263 VanDerWaalsContact O-N 3.14Å; V260-Y264 VanDerWaalsContact O-CB 3.29Å; V260-Y264 WeakPolarHBondContact O-CB 3.47Å; V260-Y264 PolarHBondContact O-N 3.49Å; V260-L382 HydrophobicContact CG2-CD1 3.99Å; V260-L382 HydrophobicContact CG2-CD2 4.09Å
261I98.2Very high98.2Very high22 Ų2235.1 Ų35.111%0.11316%0.164CC..Hα-helixtrans-59.2-44179.4-69.8175.3000111.2L183 V257 R263 Q265 P266 I269 Q303L183-I261 HydrophobicContact CD2-CD1 4.5Å; L183-I261 HydrophobicContact CD2-CG1 3.79Å; V257-I261 HydrophobicContact CG1-CD1 3.75Å; V257-I261 HydrophobicContact CG1-CG1 4.27Å; V257-I261 WeakPolarHBondContact O-CG1 3.4Å; V257-I261 PolarHBondContact O-N 2.82Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 2.95Å; I261-Q265 WeakPolarHBondContact O-CA 3.35Å; I261-Q265 PolarHBondContact O-N 3.39Å; I261-P266 HydrophobicContact CG1-CG 4.25Å; I261-I269 HydrophobicContact CD1-CD1 4.02Å; I261-Q303 HydrophobicContact CD1-CB 4.12Å; I261-Q303 HydrophobicContact CD1-CG 3.56Å
262R96.6Very high98.3Very high167 Ų16730.9 Ų30.963%0.6314%0.143SC*.Hα-helixtrans-62.2-38.9178.5-174.7-177.868.2-139.31112.5S258 K259 V260S258-R262 VanDerWaalsContact O-CB 3.29Å; S258-R262 WeakPolarHBondContact O-CB 3.15Å; S258-R262 PolarHBondContact O-N 3.1Å; K259-R262 PolarHBondContact O-N 3.09Å; V260-R262 VanDerWaalsContact C-N 3.32Å; V260-R262 PolarHBondContact O-N 2.89Å
263R96.5Very high98.3Very high67 Ų6730.9 Ų30.925%0.25314%0.143SC..Hα-helixtrans-88.3-40.5-171.7-160.463.7169.977.42.1113.1K259 V260 I261 L382 S383 L385 P386K259-R263 VanDerWaalsContact O-CB 3.29Å; K259-R263 WeakPolarHBondContact O-CB 3.32Å; K259-R263 PolarHBondContact O-N 3.04Å; V260-R263 PolarHBondContact O-N 2.86Å; V260-R263 VanDerWaalsContact O-N 3.14Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 2.95Å; R263-L382 HydrophobicContact CB-CD2 4.38Å; R263-L382 WeakPolarHBondContact CG-O 3.34Å; R263-L382 PolarHBondContact NE-O 3.16Å; R263-S383 PolarHBondContact NH2-O 3.12Å; R263-L385 HydrophobicContact CB-CD1 4.41Å; R263-L385 HydrophobicContact CG-CB 4.33Å; R263-L385 HydrophobicContact CG-CD1 3.93Å; R263-L385 PolarHBondContact NH1-O 3.24Å; R263-L385 PolarHBondContact NH2-O 2.97Å; R263-P386 PolarHBondContact NH1-O 2.87Å
264Y97.7Very high98.3Very high8 Ų830.8 Ų30.83%0.03114%0.143CC..Hα-helixtrans-88.4-25.8-179.6179.4-121.3000112.8R181 V182 L183 D203 R204 V205 M206 Y234 V260 P266R181-Y264 HydrophobicContact CB-CE1 4.05Å; R181-Y264 HydrophobicContact CB-CE2 4.21Å; R181-Y264 WeakPolarHBondContact CD-O 3.19Å; R181-Y264 HydrophobicContact CG-CE2 4.04Å; R181-Y264 PolarHBondContact NE-O 3.46Å; V182-Y264 PolarHBondContact N-OH 2.94Å; V182-Y264 VanDerWaalsContact O-CE1 3.3Å; V182-Y264 WeakPolarHBondContact O-CE1 3.35Å; V182-Y264 PolarHBondContact O-OH 2.9Å; V182-Y264 VanDerWaalsContact O-OH 3.05Å; L183-Y264 HydrophobicContact CB-CD1 4.3Å; L183-Y264 HydrophobicContact CB-CE1 4.2Å; D203-Y264 WeakPolarHBondContact O-CE2 3.44Å; R204-Y264 PolarHBondContact O-OH 3.28Å; V205-Y264 WeakPolarHBondContact CA-OH 3.47Å; V205-Y264 PolarHBondContact N-OH 3.27Å; M206-Y264 HydrophobicContact CB-CD1 3.65Å; M206-Y264 HydrophobicContact CB-CD2 4.2Å; M206-Y264 HydrophobicContact CB-CE1 3.46Å; M206-Y264 VanDerWaalsContact CB-CE1 3.46Å; M206-Y264 HydrophobicContact CB-CE2 4.05Å; M206-Y264 HydrophobicContact CB-CG 4.02Å; M206-Y264 HydrophobicContact CE-CD2 3.83Å; M206-Y264 HydrophobicContact CE-CG 3.92Å; M206-Y264 HydrophobicContact CG-CD1 4.39Å; M206-Y264 PolarHBondContact N-OH 2.81Å; M206-Y264 HydrophobicContact SD-CD1 4Å; M206-Y264 HydrophobicContact SD-CD2 4.21Å; M206-Y264 HydrophobicContact SD-CG 3.7Å; Y234-Y264 HydrophobicContact CD1-CD2 4.05Å; Y234-Y264 AromaticContact CD1-CE2 3.74Å; Y234-Y264 HydrophobicContact CD1-CE2 3.74Å; Y234-Y264 AromaticContact CE1-CD2 3.77Å; Y234-Y264 HydrophobicContact CE1-CD2 3.77Å; Y234-Y264 AromaticContact CE1-CE2 3.6Å; Y234-Y264 HydrophobicContact CE1-CE2 3.6Å; V260-Y264 VanDerWaalsContact O-CB 3.29Å; V260-Y264 WeakPolarHBondContact O-CB 3.47Å; V260-Y264 PolarHBondContact O-N 3.49Å; Y264-P266 HydrophobicContact CD1-CB 3.94Å; Y264-P266 HydrophobicContact CD1-CG 4.26Å; Y264-P266 HydrophobicContact CE1-CB 3.98Å
265Q97.3Very high98.3Very high99 Ų9928.2 Ų28.246%0.46313%0.132SC..  trans51.457179-57-178.2-50.100112.9R181 I261 S388R181-Q265 PolarHBondContact NE-O 3.38Å; R181-Q265 PolarHBondContact NH2-O 2.75Å; I261-Q265 WeakPolarHBondContact O-CA 3.35Å; I261-Q265 PolarHBondContact O-N 3.39Å; Q265-S388 PolarHBondContact OE1-OG 2.93Å; Q265-S388 VanDerWaalsContact OE1-OG 3.05Å
266P98.4Very high98.3Very high7 Ų725.9 Ų25.95%0.04512%0.117CC..  trans-63151.9178.529.4-35.2000111.6L183 I261 Y264 L305L183-P266 HydrophobicContact CB-CB 3.5Å; L183-P266 VanDerWaalsContact CB-CB 3.5Å; L183-P266 HydrophobicContact CB-CG 3.71Å; L183-P266 HydrophobicContact CD2-CG 3.91Å; L183-P266 HydrophobicContact CG-CG 4.46Å; I261-P266 HydrophobicContact CG1-CG 4.25Å; Y264-P266 HydrophobicContact CD1-CB 3.94Å; Y264-P266 HydrophobicContact CD1-CG 4.26Å; Y264-P266 HydrophobicContact CE1-CB 3.98Å; P266-L305 HydrophobicContact CG-CD1 3.92Å; P266-L305 WeakPolarHBondContact O-CD1 3.34Å; P266-L305 WeakPolarHBondContact O-CD2 3.33Å
267E98.6Very high98.3Very high64 Ų6425.6 Ų25.630%0.29911%0.114SC..SBendtrans-98.2-19.2176.3-63.5169.4118.900112.2F179 Q180 R181 P306F179-E267 HydrophobicContact CB-CB 4.3Å; F179-E267 HydrophobicContact CD1-CB 3.68Å; F179-E267 HydrophobicContact CE1-CB 4.49Å; F179-E267 HydrophobicContact CG-CB 4.38Å; Q180-E267 WeakPolarHBondContact CA-OE2 3.1Å; Q180-E267 WeakPolarHBondContact CB-OE2 3.45Å; Q180-E267 PolarHBondContact N-OE2 3.18Å; R181-E267 PolarHBondContact N-OE2 3.27Å; R181-E267 PolarHBondContact O-N 2.88Å; E267-P306 VanDerWaalsContact O-CD 3.31Å; E267-P306 WeakPolarHBondContact O-CD 3.14Å
268V98.9Very high98.3Very high0 Ų025.6 Ų25.60%012%0.115CC..EExtended strand (participates in β ladder)trans-148.3147.717659.10000109.3L136 L175 F179 V182 L183 P306L136-V268 HydrophobicContact CD1-CG2 4.33Å; L175-V268 HydrophobicContact CB-CG1 4.39Å; L175-V268 HydrophobicContact CD1-CG1 4.21Å; L175-V268 HydrophobicContact CD1-CG2 4.03Å; L175-V268 HydrophobicContact CD2-CG1 4.48Å; L175-V268 HydrophobicContact CD2-CG2 4.08Å; F179-V268 HydrophobicContact CB-CG1 3.78Å; F179-V268 HydrophobicContact CD1-CB 4.33Å; F179-V268 HydrophobicContact CD1-CG1 4.29Å; F179-V268 HydrophobicContact CD2-CB 4Å; F179-V268 HydrophobicContact CD2-CG1 3.58Å; F179-V268 HydrophobicContact CE1-CB 4.47Å; F179-V268 HydrophobicContact CE2-CB 4.16Å; F179-V268 HydrophobicContact CE2-CG1 4.22Å; F179-V268 HydrophobicContact CE2-CG2 4.42Å; F179-V268 HydrophobicContact CG-CB 4.09Å; F179-V268 HydrophobicContact CG-CG1 3.61Å; F179-V268 HydrophobicContact CZ-CB 4.38Å; V182-V268 HydrophobicContact CB-CG1 4.22Å; V182-V268 HydrophobicContact CG1-CG1 4.15Å; V182-V268 HydrophobicContact CG2-CG1 3.71Å; L183-V268 PolarHBondContact N-O 3.44Å; V268-P306 WeakPolarHBondContact CA-O 3.43Å; V268-P306 HydrophobicContact CB-CB 4.29Å; V268-P306 HydrophobicContact CG2-CB 4.02Å; V268-P306 WeakPolarHBondContact CG2-O 3.35Å
269I98.9Very high98.2Very high2 Ų223.8 Ų23.81%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-113.8133.3176.6-61179.7000109.7L183 I185 I261 M271 V300 L305 P306 M307 L308L183-I269 HydrophobicContact CB-CG1 4.35Å; L183-I269 HydrophobicContact CD2-CD1 4.39Å; L183-I269 HydrophobicContact CD2-CG1 4.39Å; L183-I269 CarbonylContact O-C 3.29Å; L183-I269 VanDerWaalsContact O-CA 3.28Å; L183-I269 WeakPolarHBondContact O-CA 3.16Å; I185-I269 HydrophobicContact CD1-CG2 3.94Å; I185-I269 HydrophobicContact CG1-CG2 4.16Å; I261-I269 HydrophobicContact CD1-CD1 4.02Å; I269-M271 HydrophobicContact CG2-CB 4.45Å; I269-V300 HydrophobicContact CD1-CG1 3.68Å; I269-V300 HydrophobicContact CG2-CG1 3.98Å; I269-L305 HydrophobicContact CD1-CB 4.39Å; I269-L305 HydrophobicContact CD1-CD1 3.91Å; I269-L305 HydrophobicContact CG1-CB 4.41Å; I269-L305 HydrophobicContact CG1-CD1 4.12Å; I269-P306 PolarHBondContact N-O 2.87Å; I269-M307 CarbonylContact O-C 3.55Å; I269-M307 VanDerWaalsContact O-CA 3.28Å; I269-M307 WeakPolarHBondContact O-CA 3.45Å; I269-L308 PolarHBondContact O-N 2.92Å
270V99Very high98.2Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-105.8119.2163.8-178.10000107.4I168 I172 L175 V182 L183 Y184 I185 L308 L310I168-V270 HydrophobicContact CG2-CG1 4.17Å; I172-V270 HydrophobicContact CD1-CG2 4.5Å; I172-V270 HydrophobicContact CG1-CB 4.38Å; I172-V270 HydrophobicContact CG1-CG2 3.83Å; L175-V270 HydrophobicContact CD1-CG2 3.45Å; L175-V270 VanDerWaalsContact CD1-CG2 3.45Å; V182-V270 HydrophobicContact CG1-CG2 4Å; L183-V270 PolarHBondContact O-N 3.15Å; Y184-V270 CarbonylContact C-O 3.49Å; Y184-V270 WeakPolarHBondContact CA-O 3.12Å; Y184-V270 HydrophobicContact CD2-CB 4.18Å; Y184-V270 HydrophobicContact CD2-CG1 4.08Å; Y184-V270 HydrophobicContact CE2-CG1 4.47Å; I185-V270 PolarHBondContact N-O 2.97Å; V270-L308 CarbonylContact C-O 3.58Å; V270-L308 WeakPolarHBondContact CA-O 3.32Å; V270-L308 HydrophobicContact CG1-CD2 4.33Å; V270-L308 HydrophobicContact CG2-CB 4.3Å; V270-L308 HydrophobicContact CG2-CD2 4.45Å; V270-L310 HydrophobicContact CG1-CD1 3.71Å; V270-L310 HydrophobicContact CG1-CG 4.47Å
271M98.9Very high98.1Very high0 Ų024.5 Ų24.50%012%0.122CC..EExtended strand (participates in β ladder)trans-114.5112.5-176.4-170.4169.9178.800109.6I185 I187 I269 C296 V297 V300 M307 L308 M309 L310I185-M271 CarbonylContact O-C 3.26Å; I185-M271 WeakPolarHBondContact O-CA 3.33Å; I187-M271 HydrophobicContact CD1-CE 3.66Å; I187-M271 HydrophobicContact CG1-CE 4.37Å; I269-M271 HydrophobicContact CG2-CB 4.45Å; M271-C296 HydrophobicContact CE-CB 3.94Å; M271-V297 HydrophobicContact CE-CB 4.45Å; M271-V297 HydrophobicContact CE-CG2 3.7Å; M271-V297 HydrophobicContact SD-CG2 4.1Å; M271-V300 HydrophobicContact CE-CG2 4.36Å; M271-V300 HydrophobicContact SD-CB 4.04Å; M271-V300 HydrophobicContact SD-CG1 4.24Å; M271-V300 HydrophobicContact SD-CG2 3.95Å; M271-M307 HydrophobicContact SD-SD 4.38Å; M271-L308 PolarHBondContact N-O 2.86Å; M271-M309 WeakPolarHBondContact O-CA 3.5Å; M271-L310 PolarHBondContact O-N 3.04Å
272Q98.9Very high98.1Very high0 Ų030.6 Ų30.60%014%0.144CC..EExtended strand (participates in β ladder)trans-84.8125.4171-169-78.37.700107.4I168 Y184 I185 D186 I187 D188 G311I168-Q272 HydrophobicContact CD1-CG 4.17Å; Y184-Q272 HydrophobicContact CE2-CB 3.8Å; Y184-Q272 WeakPolarHBondContact OH-CB 3.46Å; I185-Q272 PolarHBondContact O-N 3.22Å; D186-Q272 HydrophobicContact CB-CB 4.44Å; D186-Q272 PolarHBondContact OD1-OE1 3.49Å; I187-Q272 VanDerWaalsContact CG1-O 3.32Å; I187-Q272 WeakPolarHBondContact CG1-O 3.39Å; I187-Q272 PolarHBondContact N-O 2.81Å; D188-Q272 PolarHBondContact OD2-NE2 2.78Å; Q272-G311 WeakPolarHBondContact CG-O 3.3Å
273C98.8Very high98.1Very high0 Ų025 Ų250%013%0.126CC..  trans-117.253.9-175.6-60.10000111.2W147 A275 L310 G311 W324W147-C273 HydrophobicContact CZ3-CB 3.91Å; C273-A275 PolarHBondContact O-N 2.96Å; C273-L310 VanDerWaalsContact CB-O 3.32Å; C273-L310 WeakPolarHBondContact CB-O 3.38Å; C273-L310 PolarHBondContact N-O 3.13Å; C273-G311 CarbonylContact C-O 3.58Å; C273-G311 PolarHBondContact N-O 3Å; C273-G311 VanDerWaalsContact N-O 3.09Å; C273-W324 PolarHBondContact O-NE1 3.39Å
274G98.7Very high98.1Very high0 Ų022.3 Ų22.30%012%0.118CC..  trans-56.3121.6172.300000111.9D188 D276 H293 G313D188-G274 WeakPolarHBondContact OD2-CA 3.16Å; G274-D276 VanDerWaalsContact C-N 3.31Å; G274-D276 PolarHBondContact O-N 2.79Å; G274-H293 PolarHBondContact O-NE2 3.18Å; G274-G313 CarbonylContact C-O 3.59Å
275A98.6Very high97.9Very high1 Ų125.9 Ų25.91%0.00814%0.135CC..G310 helixtrans-90.911.3-172.900000113.3C273 S277 L278 G313 V320 C323C273-A275 PolarHBondContact O-N 2.96Å; A275-S277 VanDerWaalsContact C-N 3.3Å; A275-L278 HydrophobicContact CB-CD1 3.95Å; A275-L278 WeakPolarHBondContact O-CB 3.2Å; A275-L278 WeakPolarHBondContact O-CD1 3.3Å; A275-L278 WeakPolarHBondContact O-CG 3.31Å; A275-L278 PolarHBondContact O-N 3.46Å; A275-G313 PolarHBondContact N-O 3.34Å; A275-V320 HydrophobicContact CB-CB 4.35Å; A275-V320 HydrophobicContact CB-CG1 4.28Å; A275-V320 HydrophobicContact CB-CG2 4.1Å; A275-C323 HydrophobicContact CB-CB 4.18Å
276D98.6Very high97.9Very high0 Ų021.4 Ų21.40%011%0.114CC..G310 helixtrans-80.2-9.3173.849.813.8000113.4D188 C189 H190 G274 L278 D281 G284 G313 Y315D188-D276 VanDerWaalsContact OD1-OD1 3.12Å; D188-D276 VanDerWaalsContact OD1-OD2 3.12Å; C189-D276 HydrophobicContact CB-CB 4.25Å; C189-D276 WeakPolarHBondContact CB-OD1 3.37Å; C189-D276 PolarHBondContact N-OD1 2.86Å; H190-D276 IonicContact CE1-OD2 2.71Å; H190-D276 PolarHBondContact CE1-OD2 2.85Å; H190-D276 IonicContact ND1-OD2 3.07Å; H190-D276 PolarHBondContact ND1-OD2 3.44Å; G274-D276 VanDerWaalsContact C-N 3.31Å; G274-D276 PolarHBondContact O-N 2.79Å; D276-L278 PolarHBondContact O-N 3.26Å; D276-D281 VanDerWaalsContact CA-CG 3.49Å; D276-D281 HydrophobicContact CB-CB 4.36Å; D276-D281 WeakPolarHBondContact CB-OD2 3.12Å; D276-D281 WeakPolarHBondContact O-CB 3.06Å; D276-G284 VanDerWaalsContact O-CA 3.28Å; D276-G284 WeakPolarHBondContact O-CA 3.2Å; D276-G313 WeakPolarHBondContact OD2-CA 3.44Å; D276-Y315 HydrophobicContact CB-CD2 3.97Å; D276-Y315 HydrophobicContact CB-CE2 3.87Å; D276-Y315 VanDerWaalsContact OD2-CE2 3.25Å; D276-Y315 WeakPolarHBondContact OD2-CE2 3.29Å
277S98.3Very high97.9Very high0 Ų021.4 Ų21.40%011%0.114CC..G310 helixtrans-69.5-8.5166.8610000113.3I187 A275 L286 L288 H293I187-S277 PolarHBondContact O-OG 3.49Å; A275-S277 VanDerWaalsContact C-N 3.3Å; S277-L286 CarbonylContact O-C 3.58Å; S277-L286 VanDerWaalsContact O-CB 3.25Å; S277-L286 WeakPolarHBondContact O-CB 3.44Å; S277-L288 WeakPolarHBondContact O-CB 3.44Å; S277-L288 PolarHBondContact O-N 3.41Å; S277-H293 PolarHBondContact OG-CD2 3.25Å; S277-H293 PolarHBondContact OG-NE2 2.8Å; S277-H293 VanDerWaalsContact OG-NE2 3.13Å
278L98.5Very high97.9Very high1 Ų118.3 Ų18.31%0.00510%0.1CC..BIsolated β-bridgetrans-73.5147.2179.7-63.6176.7000113.2A275 D276 G280 D281 L288 T289 V290 H293 N319 C323 I357A275-L278 HydrophobicContact CB-CD1 3.95Å; A275-L278 WeakPolarHBondContact O-CB 3.2Å; A275-L278 WeakPolarHBondContact O-CD1 3.3Å; A275-L278 WeakPolarHBondContact O-CG 3.31Å; A275-L278 PolarHBondContact O-N 3.46Å; D276-L278 PolarHBondContact O-N 3.26Å; L278-G280 PolarHBondContact O-N 3.07Å; L278-D281 WeakPolarHBondContact O-CB 3.27Å; L278-D281 PolarHBondContact O-N 3.32Å; L278-D281 VanDerWaalsContact O-N 3.16Å; L278-L288 CarbonylContact C-O 3.55Å; L278-L288 WeakPolarHBondContact CA-O 3.47Å; L278-L288 HydrophobicContact CD2-CB 4.42Å; L278-T289 WeakPolarHBondContact CD2-O 3.15Å; L278-V290 HydrophobicContact CD1-CG2 4.43Å; L278-H293 HydrophobicContact CD2-CB 3.97Å; L278-N319 HydrophobicContact CD1-CB 4.33Å; L278-C323 HydrophobicContact CD1-CB 3.67Å; L278-I357 HydrophobicContact CB-CD1 3.88Å; L278-I357 HydrophobicContact CD1-CD1 4.33Å; L278-I357 HydrophobicContact CD2-CD1 4.12Å; L278-I357 HydrophobicContact CG-CD1 4.34Å
279A98Very high97.9Very high5 Ų518.8 Ų18.84%0.04110%0.103CC..THydrogen-bonded Turntrans-55.8129.5170.300000111.2D281 N287 L288 I357A279-D281 VanDerWaalsContact C-N 3.32Å; A279-N287 VanDerWaalsContact CB-OD1 3.27Å; A279-N287 WeakPolarHBondContact CB-OD1 3.48Å; A279-L288 PolarHBondContact N-O 2.86Å; A279-I357 HydrophobicContact CB-CD1 4.43Å
280G95.6Very high97.9Very high56 Ų5618.7 Ų18.758%0.57710%0.102SC*.THydrogen-bonded Turntrans76.615.6179.300000114.5L278 T316L278-G280 PolarHBondContact O-N 3.07Å; G280-T316 PolarHBondContact O-OG1 3.25Å
281D98Very high97.8Very high16 Ų1624.3 Ų24.39%0.08613%0.126CC..  trans-62.4151.7161.1-17073.2000111.2D276 L278 A279 L283 G284 Y315 T316D276-D281 VanDerWaalsContact CA-CG 3.49Å; D276-D281 HydrophobicContact CB-CB 4.36Å; D276-D281 WeakPolarHBondContact CB-OD2 3.12Å; D276-D281 WeakPolarHBondContact O-CB 3.06Å; L278-D281 WeakPolarHBondContact O-CB 3.27Å; L278-D281 PolarHBondContact O-N 3.32Å; L278-D281 VanDerWaalsContact O-N 3.16Å; A279-D281 VanDerWaalsContact C-N 3.32Å; D281-L283 PolarHBondContact OD2-N 2.84Å; D281-G284 PolarHBondContact OD2-N 2.89Å; D281-Y315 PolarHBondContact OD1-N 3.27Å; D281-Y315 WeakPolarHBondContact OD2-CD2 3.4Å; D281-T316 PolarHBondContact OD1-N 2.74Å
282R96.9Very high97.8Very high150 Ų15024.5 Ų24.557%0.56613%0.128SC*.SBendtrans-77-30.5-176.2-179178.1169.8-161.6-6.8113.1G39G39-R282 PolarHBondContact O-NH1 3.19Å; G39-R282 PolarHBondContact O-NH2 3.07Å
283L97.1Very high97.8Very high50 Ų5024.5 Ų24.526%0.26213%0.128SC..SBendtrans-118.9-25.7-176.8-55.4-176.8000112.8P41 F162 F216 D281 H285 Y315P41-L283 HydrophobicContact CB-CD1 3.94Å; P41-L283 HydrophobicContact CB-CG 4.38Å; P41-L283 HydrophobicContact CG-CD1 3.78Å; F162-L283 HydrophobicContact CE2-CD1 3.7Å; F162-L283 HydrophobicContact CZ-CD1 3.86Å; F216-L283 WeakPolarHBondContact CE2-O 3.48Å; F216-L283 WeakPolarHBondContact CZ-O 3.36Å; D281-L283 PolarHBondContact OD2-N 2.84Å; L283-H285 PolarHBondContact O-CE1 2.96Å; L283-H285 PolarHBondContact O-ND1 3.39Å; L283-Y315 HydrophobicContact CB-CD2 3.55Å; L283-Y315 HydrophobicContact CB-CE2 3.89Å; L283-Y315 HydrophobicContact CB-CG 4.31Å; L283-Y315 HydrophobicContact CD1-CD1 4.04Å; L283-Y315 HydrophobicContact CD1-CD2 3.6Å; L283-Y315 HydrophobicContact CD1-CE1 4.16Å; L283-Y315 HydrophobicContact CD1-CE2 3.72Å; L283-Y315 HydrophobicContact CD1-CG 3.74Å; L283-Y315 HydrophobicContact CG-CD2 3.66Å; L283-Y315 HydrophobicContact CG-CE2 4.18Å; L283-Y315 HydrophobicContact CG-CG 3.91Å
284G95.7Very high97.8Very high9 Ų924.5 Ų24.59%0.09313%0.129CC..  trans-80145.7173.800000113.1D276 D281D276-G284 VanDerWaalsContact O-CA 3.28Å; D276-G284 WeakPolarHBondContact O-CA 3.2Å; D281-G284 PolarHBondContact OD2-N 2.89Å
285H94Very high97.8Very high84 Ų8426.7 Ų26.739%0.38914%0.138SC..  trans-122.926.8-175.2-59.181.1000112.2K212 F216 G242 G243 L283K212-H285 HydrophobicContact CD-CB 3.8Å; F216-H285 AromaticContact CE2-CE1 3.78Å; F216-H285 AromaticContact CE2-ND1 3.29Å; F216-H285 VanDerWaalsContact CE2-ND1 3.29Å; F216-H285 WeakPolarHBondContact CE2-ND1 3.34Å; F216-H285 AromaticContact CZ-ND1 3.97Å; G242-H285 CarbonylContact C-O 3.53Å; G242-H285 VanDerWaalsContact CA-O 3.29Å; G242-H285 WeakPolarHBondContact CA-O 3.36Å; G243-H285 PolarHBondContact N-O 3.03Å; L283-H285 PolarHBondContact O-CE1 2.96Å; L283-H285 PolarHBondContact O-ND1 3.39Å
286L97.9Very high97.8Very high4 Ų426.8 Ų26.82%0.02114%0.139CC..  trans-94.6173.8170.2-56.9-173.5000109.3C189 K212 L240 I244 S277C189-L286 HydrophobicContact CB-CD1 4.49Å; K212-L286 HydrophobicContact CB-CD2 4.28Å; L240-L286 HydrophobicContact CB-CD2 4.45Å; L240-L286 HydrophobicContact CD1-CD1 4.17Å; I244-L286 HydrophobicContact CG2-CB 4.07Å; I244-L286 HydrophobicContact CG2-CD1 4.17Å; I244-L286 HydrophobicContact CG2-CD2 3.84Å; I244-L286 HydrophobicContact CG2-CG 4.22Å; S277-L286 CarbonylContact O-C 3.58Å; S277-L286 VanDerWaalsContact O-CB 3.25Å; S277-L286 WeakPolarHBondContact O-CB 3.44Å
287N98.3Very high97.8Very high7 Ų726.8 Ų26.84%0.03714%0.139CC..BIsolated β-bridgetrans-130.838.3-172.3-161.925.8000111.9I244 A279 S360I244-N287 CarbonylContact O-C 3.58Å; I244-N287 VanDerWaalsContact O-C 3.29Å; I244-N287 WeakPolarHBondContact O-CA 3.45Å; I244-N287 WeakPolarHBondContact O-CB 3.22Å; I244-N287 PolarHBondContact O-N 3.22Å; A279-N287 VanDerWaalsContact CB-OD1 3.27Å; A279-N287 WeakPolarHBondContact CB-OD1 3.48Å; N287-S360 PolarHBondContact ND2-O 2.82Å; N287-S360 WeakPolarHBondContact OD1-CA 3.4Å; N287-S360 VanDerWaalsContact OD1-CB 3.3Å; N287-S360 WeakPolarHBondContact OD1-CB 3.25Å; N287-S360 PolarHBondContact OD1-N 2.78Å
288L98.7Very high97.8Very high0 Ų030.2 Ų30.20%016%0.155CC..BIsolated β-bridgetrans-78.8149.9178-57-173.6000111.6I244 D246 Y249 S277 L278 A279I244-L288 HydrophobicContact CG2-CD2 4.25Å; D246-L288 VanDerWaalsContact OD1-CA 3.29Å; D246-L288 WeakPolarHBondContact OD1-CA 3.33Å; Y249-L288 HydrophobicContact CD1-CD1 4.33Å; Y249-L288 HydrophobicContact CD2-CD1 3.98Å; Y249-L288 HydrophobicContact CD2-CD2 4Å; Y249-L288 HydrophobicContact CD2-CG 4.49Å; Y249-L288 HydrophobicContact CE1-CD1 4.43Å; Y249-L288 HydrophobicContact CE2-CD1 4.07Å; Y249-L288 HydrophobicContact CG-CD1 4.1Å; Y249-L288 HydrophobicContact CG-CD2 3.86Å; S277-L288 WeakPolarHBondContact O-CB 3.44Å; S277-L288 PolarHBondContact O-N 3.41Å; L278-L288 CarbonylContact C-O 3.55Å; L278-L288 WeakPolarHBondContact CA-O 3.47Å; L278-L288 HydrophobicContact CD2-CB 4.42Å; A279-L288 PolarHBondContact N-O 2.86Å
289T98.5Very high97.8Very high10 Ų1031.4 Ų31.46%0.06116%0.16CC..  trans-94166.916674.80000110.9D246 L278 K291 G292 H293 P359D246-T289 PolarHBondContact OD1-N 3.01Å; D246-T289 WeakPolarHBondContact OD2-CB 3.16Å; D246-T289 WeakPolarHBondContact OD2-CG2 3.15Å; D246-T289 PolarHBondContact OD2-OG1 3.44Å; L278-T289 WeakPolarHBondContact CD2-O 3.15Å; T289-K291 PolarHBondContact O-N 2.86Å; T289-K291 PolarHBondContact OG1-N 3.19Å; T289-G292 PolarHBondContact O-N 3.33Å; T289-G292 VanDerWaalsContact O-N 3.08Å; T289-G292 PolarHBondContact OG1-N 3.24Å; T289-H293 WeakPolarHBondContact O-CB 3.34Å; T289-H293 PolarHBondContact O-N 2.97Å; T289-P359 HydrophobicContact CG2-CB 4.41Å; T289-P359 HydrophobicContact CG2-CG 3.53Å
290V98.5Very high97.8Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-53.5-39170.2167.30000111.1L278 G294 R322 C323 Y326 I357L278-V290 HydrophobicContact CD1-CG2 4.43Å; V290-G294 PolarHBondContact O-N 2.86Å; V290-R322 HydrophobicContact CG2-CB 4.19Å; V290-C323 HydrophobicContact CG2-CB 4.2Å; V290-Y326 VanDerWaalsContact CG1-CB 3.43Å; V290-Y326 HydrophobicContact CG1-CD1 3.52Å; V290-Y326 HydrophobicContact CG1-CE1 4.43Å; V290-Y326 HydrophobicContact CG1-CG 3.59Å; V290-Y326 WeakPolarHBondContact O-CD1 3.45Å; V290-I357 HydrophobicContact CG2-CD1 4.31Å; V290-I357 HydrophobicContact CG2-CG1 4.11Å; V290-I357 HydrophobicContact CG2-CG2 4.14Å
291K98.2Very high97.9Very high117 Ų11729.4 Ų29.451%0.50913%0.134SC..Hα-helixtrans-67.2-45.6175.5-170.6176.6-179.4-177.70111.9T289 G294 K295T289-K291 PolarHBondContact O-N 2.86Å; T289-K291 PolarHBondContact OG1-N 3.19Å; K291-G294 PolarHBondContact O-N 3.26Å; K291-K295 WeakPolarHBondContact O-CG 3.35Å; K291-K295 PolarHBondContact O-N 3.05Å
292G98.2Very high97.8Very high4 Ų433.7 Ų33.74%0.04115%0.152CC..Hα-helixtrans-58.8-47.217700000112.5D246 T289 K295D246-G292 WeakPolarHBondContact OD1-CA 3.43Å; D246-G292 PolarHBondContact OD2-N 3.4Å; T289-G292 PolarHBondContact O-N 3.33Å; T289-G292 VanDerWaalsContact O-N 3.08Å; T289-G292 PolarHBondContact OG1-N 3.24Å; G292-K295 WeakPolarHBondContact O-CB 3.47Å; G292-K295 PolarHBondContact O-N 2.85Å
293H98.7Very high97.8Very high0 Ų029.4 Ų29.40%014%0.139CC..Hα-helixtrans-59.4-50.5175.1-154.9-88.7000111.3I187 G274 S277 L278 T289 K295 C296 E327I187-H293 WeakPolarHBondContact CD1-CE1 3.32Å; I187-H293 WeakPolarHBondContact CD1-NE2 2.9Å; G274-H293 PolarHBondContact O-NE2 3.18Å; S277-H293 PolarHBondContact OG-CD2 3.25Å; S277-H293 PolarHBondContact OG-NE2 2.8Å; S277-H293 VanDerWaalsContact OG-NE2 3.13Å; L278-H293 HydrophobicContact CD2-CB 3.97Å; T289-H293 WeakPolarHBondContact O-CB 3.34Å; T289-H293 PolarHBondContact O-N 2.97Å; H293-K295 VanDerWaalsContact C-N 3.26Å; H293-K295 PolarHBondContact O-N 3.36Å; H293-C296 WeakPolarHBondContact O-CB 3.36Å; H293-C296 PolarHBondContact O-N 3.2Å; H293-E327 IonicContact CE1-OE1 2.78Å; H293-E327 PolarHBondContact CE1-OE1 3.34Å; H293-E327 IonicContact CG-OE1 3.5Å; H293-E327 IonicContact ND1-OE1 2.71Å; H293-E327 PolarHBondContact ND1-OE1 2.88Å; H293-E327 IonicContact ND1-OE2 2.92Å
294G98.6Very high97.7Very high1 Ų131.7 Ų31.71%0.0115%0.151CC..Hα-helixtrans-63-23.7178.200000114.9V290 K291 C296 V297 E298V290-G294 PolarHBondContact O-N 2.86Å; K291-G294 PolarHBondContact O-N 3.26Å; G294-C296 PolarHBondContact O-N 3.34Å; G294-V297 PolarHBondContact O-N 3.11Å; G294-E298 WeakPolarHBondContact O-CB 3.49Å; G294-E298 PolarHBondContact O-N 3.5Å
295K98.5Very high97.8Very high45 Ų4533.5 Ų33.520%0.19616%0.158CC..Hα-helixtrans-63.1-28.7171.3-74174.2179-178.60112.1D247 E250 K291 G292 H293 F299D247-K295 IonicContact OD1-NZ 2.97Å; E250-K295 VanDerWaalsContact OE2-CD 3.23Å; E250-K295 WeakPolarHBondContact OE2-CD 3.33Å; E250-K295 WeakPolarHBondContact OE2-CE 3.46Å; E250-K295 IonicContact OE2-NZ 3.82Å; E250-K295 PolarHBondContact OE2-NZ 3.35Å; K291-K295 WeakPolarHBondContact O-CG 3.35Å; K291-K295 PolarHBondContact O-N 3.05Å; G292-K295 WeakPolarHBondContact O-CB 3.47Å; G292-K295 PolarHBondContact O-N 2.85Å; H293-K295 VanDerWaalsContact C-N 3.26Å; H293-K295 PolarHBondContact O-N 3.36Å; K295-F299 VanDerWaalsContact O-CB 3.31Å; K295-F299 WeakPolarHBondContact O-CB 3.37Å; K295-F299 PolarHBondContact O-N 3.43Å
296C98.8Very high98.1Very high3 Ų331.3 Ų31.32%0.0215%0.152CC..Hα-helixtrans-66.6-51.1175.5-56.20000109.8I187 Y249 F253 M271 H293 G294 E298 F299 V300I187-C296 HydrophobicContact CD1-CB 3.99Å; Y249-C296 WeakPolarHBondContact CE1-SG 3.34Å; F253-C296 HydrophobicContact CD1-CB 4.19Å; F253-C296 HydrophobicContact CE1-CB 3.69Å; F253-C296 HydrophobicContact CE2-CB 4.11Å; F253-C296 HydrophobicContact CZ-CB 3.64Å; M271-C296 HydrophobicContact CE-CB 3.94Å; H293-C296 WeakPolarHBondContact O-CB 3.36Å; H293-C296 PolarHBondContact O-N 3.2Å; G294-C296 PolarHBondContact O-N 3.34Å; C296-E298 VanDerWaalsContact C-N 3.32Å; C296-E298 PolarHBondContact O-N 3.21Å; C296-F299 PolarHBondContact O-N 3Å; C296-V300 WeakPolarHBondContact O-CG2 3.41Å; C296-V300 PolarHBondContact O-N 2.99Å
297V98.6Very high98.1Very high0 Ų031.2 Ų31.20%015%0.151CC..Hα-helixtrans-58.6-44.5174.8176.60000110.9M271 G294 F299 V300 R301 M309 E327 V330M271-V297 HydrophobicContact CE-CB 4.45Å; M271-V297 HydrophobicContact CE-CG2 3.7Å; M271-V297 HydrophobicContact SD-CG2 4.1Å; G294-V297 PolarHBondContact O-N 3.11Å; V297-F299 VanDerWaalsContact C-N 3.29Å; V297-F299 PolarHBondContact O-N 3.11Å; V297-V300 PolarHBondContact O-N 2.73Å; V297-R301 WeakPolarHBondContact O-CB 3.38Å; V297-R301 PolarHBondContact O-N 3.33Å; V297-M309 HydrophobicContact CB-CE 4.22Å; V297-M309 HydrophobicContact CG1-CE 3.38Å; V297-M309 HydrophobicContact CG1-SD 4.07Å; V297-M309 HydrophobicContact CG2-CE 3.73Å; V297-E327 HydrophobicContact CG2-CB 4.27Å; V297-E327 HydrophobicContact CG2-CG 3.93Å; V297-E327 WeakPolarHBondContact CG2-OE1 3.5Å; V297-V330 HydrophobicContact CB-CG1 4.18Å; V297-V330 HydrophobicContact CG1-CB 4.3Å; V297-V330 HydrophobicContact CG1-CG1 3.85Å
298E98.1Very high98.1Very high72 Ų7230.9 Ų30.934%0.33615%0.149SC..Hα-helixtrans-59.7-42.1178.8-165.7-162.2-17400111.4G294 C296 K302 V330G294-E298 WeakPolarHBondContact O-CB 3.49Å; G294-E298 PolarHBondContact O-N 3.5Å; C296-E298 VanDerWaalsContact C-N 3.32Å; C296-E298 PolarHBondContact O-N 3.21Å; E298-K302 VanDerWaalsContact O-CG 3.29Å; E298-K302 WeakPolarHBondContact O-CG 3.16Å; E298-K302 PolarHBondContact O-N 3.41Å; E298-K302 WeakPolarHBondContact OE1-CE 3.07Å; E298-K302 IonicContact OE1-NZ 3.71Å; E298-K302 PolarHBondContact OE1-NZ 2.95Å; E298-K302 IonicContact OE2-NZ 2.81Å; E298-V330 HydrophobicContact CB-CG1 3.65Å; E298-V330 HydrophobicContact CG-CG1 4.16Å
299F98.5Very high98.1Very high26 Ų2630.9 Ų30.911%0.11415%0.149CC..Hα-helixtrans-67-45.5179.4-180-98.4000112.5F253 K254 V257 S258 K295 C296 V297 K302 Q303F253-F299 HydrophobicContact CD1-CD1 4.3Å; F253-F299 HydrophobicContact CE1-CB 4.43Å; F253-F299 AromaticContact CE1-CD1 3.98Å; F253-F299 HydrophobicContact CE1-CD1 3.98Å; K254-F299 HydrophobicContact CB-CD2 4.09Å; K254-F299 HydrophobicContact CB-CE2 4Å; K254-F299 HydrophobicContact CB-CG 4.41Å; K254-F299 HydrophobicContact CB-CZ 4.27Å; K254-F299 HydrophobicContact CD-CD2 3.81Å; K254-F299 HydrophobicContact CD-CE2 4.33Å; K254-F299 HydrophobicContact CD-CG 4.35Å; K254-F299 HydrophobicContact CG-CB 4.3Å; K254-F299 HydrophobicContact CG-CD1 4.31Å; K254-F299 HydrophobicContact CG-CD2 3.61Å; K254-F299 HydrophobicContact CG-CE2 4.06Å; K254-F299 HydrophobicContact CG-CG 3.78Å; V257-F299 HydrophobicContact CB-CD1 4.33Å; V257-F299 HydrophobicContact CB-CE1 3.85Å; V257-F299 HydrophobicContact CG1-CD1 4.19Å; V257-F299 HydrophobicContact CG1-CE1 3.76Å; S258-F299 WeakPolarHBondContact OG-CZ 3.29Å; K295-F299 VanDerWaalsContact O-CB 3.31Å; K295-F299 WeakPolarHBondContact O-CB 3.37Å; K295-F299 PolarHBondContact O-N 3.43Å; C296-F299 PolarHBondContact O-N 3Å; V297-F299 VanDerWaalsContact C-N 3.29Å; V297-F299 PolarHBondContact O-N 3.11Å; F299-K302 PolarHBondContact O-N 3.18Å; F299-Q303 PolarHBondContact O-NE2 2.86Å; F299-Q303 VanDerWaalsContact O-NE2 3.11Å
300V98.5Very high98.2Very high3 Ų330.4 Ų30.42%0.01815%0.146CC..Hα-helixtrans-66.4-43.2178.21780000110.6I185 F253 V257 I269 M271 C296 V297 K302 Q303 M307I185-V300 HydrophobicContact CD1-CG1 4.43Å; I185-V300 HydrophobicContact CD1-CG2 3.9Å; F253-V300 HydrophobicContact CE1-CG2 4.14Å; F253-V300 HydrophobicContact CZ-CG2 4.01Å; V257-V300 HydrophobicContact CG1-CG2 4.49Å; I269-V300 HydrophobicContact CD1-CG1 3.68Å; I269-V300 HydrophobicContact CG2-CG1 3.98Å; M271-V300 HydrophobicContact CE-CG2 4.36Å; M271-V300 HydrophobicContact SD-CB 4.04Å; M271-V300 HydrophobicContact SD-CG1 4.24Å; M271-V300 HydrophobicContact SD-CG2 3.95Å; C296-V300 WeakPolarHBondContact O-CG2 3.41Å; C296-V300 PolarHBondContact O-N 2.99Å; V297-V300 PolarHBondContact O-N 2.73Å; V300-K302 PolarHBondContact O-N 3.35Å; V300-Q303 VanDerWaalsContact O-CB 3.25Å; V300-Q303 WeakPolarHBondContact O-CB 3.46Å; V300-Q303 VanDerWaalsContact O-CG 3.27Å; V300-Q303 WeakPolarHBondContact O-CG 3.4Å; V300-Q303 PolarHBondContact O-N 2.97Å; V300-M307 HydrophobicContact CB-SD 4.34Å; V300-M307 HydrophobicContact CG1-SD 3.63Å
301R97.3Very high98.2Very high17 Ų1730.4 Ų30.46%0.06415%0.146CC..Hα-helixtrans-55-37.3175.1-179.2-174.5176.4-784.9112.7T17 I143 V297 Q303 N304 M307 V330 A331T17-R301 PolarHBondContact OG1-NH2 3.32Å; I143-R301 HydrophobicContact CD1-CG 4.17Å; V297-R301 WeakPolarHBondContact O-CB 3.38Å; V297-R301 PolarHBondContact O-N 3.33Å; R301-Q303 PolarHBondContact O-N 2.97Å; R301-N304 PolarHBondContact O-N 3.23Å; R301-M307 HydrophobicContact CB-CE 4.38Å; R301-V330 WeakPolarHBondContact CD-O 3.23Å; R301-V330 PolarHBondContact NE-O 2.64Å; R301-V330 VanDerWaalsContact NE-O 3.13Å; R301-A331 PolarHBondContact NE-O 3.13Å
302K96.8Very high98.2Very high105 Ų10524.9 Ų24.946%0.45712%0.123SC..THydrogen-bonded Turntrans-67.9-12.5178.9-76.2169.3-176.5167.30113.8E298 F299 V300 N304E298-K302 VanDerWaalsContact O-CG 3.29Å; E298-K302 WeakPolarHBondContact O-CG 3.16Å; E298-K302 PolarHBondContact O-N 3.41Å; E298-K302 WeakPolarHBondContact OE1-CE 3.07Å; E298-K302 IonicContact OE1-NZ 3.71Å; E298-K302 PolarHBondContact OE1-NZ 2.95Å; E298-K302 IonicContact OE2-NZ 2.81Å; F299-K302 PolarHBondContact O-N 3.18Å; V300-K302 PolarHBondContact O-N 3.35Å; K302-N304 PolarHBondContact O-N 2.98Å; K302-N304 PolarHBondContact O-ND2 2.92Å
303Q96.7Very high98.2Very high60 Ų6024.9 Ų24.928%0.2812%0.123SC..THydrogen-bonded Turntrans-76.7-10177.7-50.7-56.8-46.500113I261 F299 V300 R301 L305I261-Q303 HydrophobicContact CD1-CB 4.12Å; I261-Q303 HydrophobicContact CD1-CG 3.56Å; F299-Q303 PolarHBondContact O-NE2 2.86Å; F299-Q303 VanDerWaalsContact O-NE2 3.11Å; V300-Q303 VanDerWaalsContact O-CB 3.25Å; V300-Q303 WeakPolarHBondContact O-CB 3.46Å; V300-Q303 VanDerWaalsContact O-CG 3.27Å; V300-Q303 WeakPolarHBondContact O-CG 3.4Å; V300-Q303 PolarHBondContact O-N 2.97Å; R301-Q303 PolarHBondContact O-N 2.97Å; Q303-L305 PolarHBondContact O-N 3Å
304N95.4Very high98.2Very high98 Ų9824.9 Ų24.952%0.52412%0.123SC..  trans5826.7176.9-63.3-64.5000115.2K21 R301 K302K21-N304 WeakPolarHBondContact CE-OD1 3.46Å; K21-N304 PolarHBondContact NZ-OD1 2.65Å; R301-N304 PolarHBondContact O-N 3.23Å; K302-N304 PolarHBondContact O-N 2.98Å; K302-N304 PolarHBondContact O-ND2 2.92Å
305L98Very high98.1Very high47 Ų4725.5 Ų25.525%0.24613%0.125CC..  trans-92.4149.2170.3-66.4172.1000110.5P266 I269 Q303 M307P266-L305 HydrophobicContact CG-CD1 3.92Å; P266-L305 WeakPolarHBondContact O-CD1 3.34Å; P266-L305 WeakPolarHBondContact O-CD2 3.33Å; I269-L305 HydrophobicContact CD1-CB 4.39Å; I269-L305 HydrophobicContact CD1-CD1 3.91Å; I269-L305 HydrophobicContact CG1-CB 4.41Å; I269-L305 HydrophobicContact CG1-CD1 4.12Å; Q303-L305 PolarHBondContact O-N 3Å; L305-M307 PolarHBondContact O-N 3.08Å
306P98.7Very high98.1Very high38 Ų3824 Ų2425%0.24712%0.119CC..  trans-47.6135164-25.833000110.8L136 D142 E267 V268 I269L136-P306 HydrophobicContact CD2-CB 4.02Å; D142-P306 WeakPolarHBondContact O-CA 3.25Å; E267-P306 VanDerWaalsContact O-CD 3.31Å; E267-P306 WeakPolarHBondContact O-CD 3.14Å; V268-P306 WeakPolarHBondContact CA-O 3.43Å; V268-P306 HydrophobicContact CB-CB 4.29Å; V268-P306 HydrophobicContact CG2-CB 4.02Å; V268-P306 WeakPolarHBondContact CG2-O 3.35Å; I269-P306 PolarHBondContact N-O 2.87Å
307M98.8Very high98Very high2 Ų225.5 Ų25.51%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-137.9127-173-176.5173.359.900112.3D142 I143 S144 I269 M271 V300 R301 L305 M309D142-M307 PolarHBondContact O-N 3.03Å; I143-M307 CarbonylContact C-O 3.58Å; I143-M307 VanDerWaalsContact CA-O 3.24Å; I143-M307 WeakPolarHBondContact CA-O 3.45Å; I143-M307 HydrophobicContact CB-CE 4.45Å; I143-M307 HydrophobicContact CD1-CE 3.61Å; I143-M307 HydrophobicContact CG1-CB 4.36Å; I143-M307 HydrophobicContact CG1-CE 3.88Å; I143-M307 HydrophobicContact CG2-CB 4.44Å; I143-M307 HydrophobicContact CG2-CE 3.73Å; S144-M307 PolarHBondContact N-O 3Å; I269-M307 CarbonylContact O-C 3.55Å; I269-M307 VanDerWaalsContact O-CA 3.28Å; I269-M307 WeakPolarHBondContact O-CA 3.45Å; M271-M307 HydrophobicContact SD-SD 4.38Å; V300-M307 HydrophobicContact CB-SD 4.34Å; V300-M307 HydrophobicContact CG1-SD 3.63Å; R301-M307 HydrophobicContact CB-CE 4.38Å; L305-M307 PolarHBondContact O-N 3.08Å; M307-M309 HydrophobicContact CE-CG 3.81Å; M307-M309 HydrophobicContact CE-SD 3.64Å; M307-M309 HydrophobicContact CG-CG 4.01Å; M307-M309 HydrophobicContact SD-CG 4.04Å
308L98.9Very high98Very high0 Ų030.9 Ų30.90%015%0.15CC..EExtended strand (participates in β ladder)trans-99.1117.3165.5178.960.7000108.5L136 S144 A171 I269 V270 M271 L310L136-L308 HydrophobicContact CD1-CB 3.76Å; S144-L308 CarbonylContact O-C 3.56Å; S144-L308 WeakPolarHBondContact O-CA 3.32Å; A171-L308 HydrophobicContact CB-CD2 3.69Å; I269-L308 PolarHBondContact O-N 2.92Å; V270-L308 CarbonylContact C-O 3.58Å; V270-L308 WeakPolarHBondContact CA-O 3.32Å; V270-L308 HydrophobicContact CG1-CD2 4.33Å; V270-L308 HydrophobicContact CG2-CB 4.3Å; V270-L308 HydrophobicContact CG2-CD2 4.45Å; M271-L308 PolarHBondContact N-O 2.86Å; L308-L310 HydrophobicContact CD1-CD2 4.08Å; L308-L310 HydrophobicContact CD2-CD1 4.34Å; L308-L310 HydrophobicContact CD2-CD2 4.14Å; L308-L310 HydrophobicContact CD2-CG 4.4Å; L308-L310 HydrophobicContact CG-CD1 4.49Å; L308-L310 HydrophobicContact CG-CD2 3.9Å; L308-L310 HydrophobicContact CG-CG 4.08Å
309M98.9Very high98Very high0 Ų028.2 Ų28.20%014%0.137CC..EExtended strand (participates in β ladder)trans-99.5130.4174.6-62.3-179.567.500110I143 S144 I145 N146 W147 M271 V297 M307 E327 A331I143-M309 HydrophobicContact CG2-CG 4.06Å; I143-M309 HydrophobicContact CG2-SD 3.89Å; S144-M309 PolarHBondContact O-N 2.79Å; I145-M309 WeakPolarHBondContact CA-O 3.29Å; I145-M309 HydrophobicContact CD1-SD 4.42Å; I145-M309 HydrophobicContact CG1-CB 4.22Å; I145-M309 HydrophobicContact CG1-SD 4.21Å; I145-M309 HydrophobicContact CG2-CB 4.49Å; N146-M309 PolarHBondContact N-O 3.27Å; W147-M309 HydrophobicContact CH2-CE 3.68Å; W147-M309 HydrophobicContact CZ2-CE 4.4Å; W147-M309 HydrophobicContact CZ3-CE 4.5Å; M271-M309 WeakPolarHBondContact O-CA 3.5Å; V297-M309 HydrophobicContact CB-CE 4.22Å; V297-M309 HydrophobicContact CG1-CE 3.38Å; V297-M309 HydrophobicContact CG1-SD 4.07Å; V297-M309 HydrophobicContact CG2-CE 3.73Å; M307-M309 HydrophobicContact CE-CG 3.81Å; M307-M309 HydrophobicContact CE-SD 3.64Å; M307-M309 HydrophobicContact CG-CG 4.01Å; M307-M309 HydrophobicContact SD-CG 4.04Å; M309-E327 HydrophobicContact CE-CB 4.28Å; M309-A331 HydrophobicContact SD-CB 3.79Å
310L98.9Very high98Very high0 Ų027 Ų270%013%0.132CC..EExtended strand (participates in β ladder)trans-122.5160-177.3-60175.4000110.2S129 N146 W147 I168 V270 M271 C273 L308S129-L310 VanDerWaalsContact OG-CD2 3.22Å; S129-L310 WeakPolarHBondContact OG-CD2 3.24Å; N146-L310 HydrophobicContact CB-CD2 3.97Å; N146-L310 WeakPolarHBondContact O-CA 3.41Å; W147-L310 WeakPolarHBondContact CZ3-O 3.43Å; I168-L310 HydrophobicContact CB-CD1 4.29Å; I168-L310 HydrophobicContact CG1-CD1 3.47Å; I168-L310 VanDerWaalsContact CG1-CD1 3.47Å; V270-L310 HydrophobicContact CG1-CD1 3.71Å; V270-L310 HydrophobicContact CG1-CG 4.47Å; M271-L310 PolarHBondContact O-N 3.04Å; C273-L310 VanDerWaalsContact CB-O 3.32Å; C273-L310 WeakPolarHBondContact CB-O 3.38Å; C273-L310 PolarHBondContact N-O 3.13Å; L308-L310 HydrophobicContact CD1-CD2 4.08Å; L308-L310 HydrophobicContact CD2-CD1 4.34Å; L308-L310 HydrophobicContact CD2-CD2 4.14Å; L308-L310 HydrophobicContact CD2-CG 4.4Å; L308-L310 HydrophobicContact CG-CD1 4.49Å; L308-L310 HydrophobicContact CG-CD2 3.9Å; L308-L310 HydrophobicContact CG-CG 4.08Å
311G98.7Very high98Very high0 Ų026.9 Ų26.90%013%0.131CC..  trans-69.4-138.7168.300000111.5N146 G149 Q272 C273N146-G311 PolarHBondContact O-N 3.25Å; G149-G311 CarbonylContact O-C 3.54Å; G149-G311 VanDerWaalsContact O-C 3.27Å; G149-G311 WeakPolarHBondContact O-CA 3.47Å; G149-G311 PolarHBondContact O-N 3.44Å; Q272-G311 WeakPolarHBondContact CG-O 3.3Å; C273-G311 CarbonylContact C-O 3.58Å; C273-G311 PolarHBondContact N-O 3Å; C273-G311 VanDerWaalsContact N-O 3.09Å
312G98.3Very high98Very high2 Ų226.5 Ų26.52%0.02113%0.13CC..  trans151.9-156.6-173.100000112.7R46 G149R46-G312 VanDerWaalsContact CZ-O 3.22Å; R46-G312 PolarHBondContact NH1-O 3.44Å; R46-G312 PolarHBondContact NH2-O 3.2Å; G149-G312 PolarHBondContact O-N 3.05Å
313G98Very high98.1Very high3 Ų321.5 Ų21.53%0.03111%0.108CC..  trans-59.6175.4170.400000113.7R46 D188 G274 A275 D276R46-G313 VanDerWaalsContact NH1-C 3.32Å; R46-G313 PolarHBondContact NH1-O 3.25Å; D188-G313 VanDerWaalsContact OD2-CA 3.29Å; D188-G313 WeakPolarHBondContact OD2-CA 3.01Å; D188-G313 PolarHBondContact OD2-N 3.32Å; G274-G313 CarbonylContact C-O 3.59Å; A275-G313 PolarHBondContact N-O 3.34Å; D276-G313 WeakPolarHBondContact OD2-CA 3.44Å
314G98.3Very high98.2Very high0 Ų018.7 Ų18.70%010%0.095CC..  trans129.7110.5-175.500000111.9R46 V320R46-G314 WeakPolarHBondContact CD-O 3.38Å; R46-G314 PolarHBondContact NH1-O 3.15Å; R46-G314 VanDerWaalsContact NH1-O 3.08Å; G314-V320 WeakPolarHBondContact O-CG2 3.48Å
315Y98.3Very high98.4Very high14 Ų1414 Ų146%0.0557%0.07CC..SBendtrans-122.27-164.2-50.1-70000113P41 M42 F162 H190 D276 D281 L283 P317P41-Y315 HydrophobicContact CB-CD1 3.95Å; P41-Y315 HydrophobicContact CB-CG 4.22Å; P41-Y315 HydrophobicContact CG-CD1 4.49Å; M42-Y315 HydrophobicContact CE-CE1 3.87Å; F162-Y315 HydrophobicContact CD2-CD1 4.46Å; F162-Y315 AromaticContact CD2-CE1 3.41Å; F162-Y315 HydrophobicContact CD2-CE1 3.41Å; F162-Y315 VanDerWaalsContact CD2-CE1 3.41Å; F162-Y315 AromaticContact CD2-CZ 3.74Å; F162-Y315 WeakPolarHBondContact CD2-OH 3.19Å; F162-Y315 HydrophobicContact CE2-CD1 4.11Å; F162-Y315 AromaticContact CE2-CE1 3.31Å; F162-Y315 HydrophobicContact CE2-CE1 3.31Å; F162-Y315 AromaticContact CE2-CZ 3.55Å; H190-Y315 AromaticContact CE1-CE2 3.93Å; D276-Y315 HydrophobicContact CB-CD2 3.97Å; D276-Y315 HydrophobicContact CB-CE2 3.87Å; D276-Y315 VanDerWaalsContact OD2-CE2 3.25Å; D276-Y315 WeakPolarHBondContact OD2-CE2 3.29Å; D281-Y315 PolarHBondContact OD1-N 3.27Å; D281-Y315 WeakPolarHBondContact OD2-CD2 3.4Å; L283-Y315 HydrophobicContact CB-CD2 3.55Å; L283-Y315 HydrophobicContact CB-CE2 3.89Å; L283-Y315 HydrophobicContact CB-CG 4.31Å; L283-Y315 HydrophobicContact CD1-CD1 4.04Å; L283-Y315 HydrophobicContact CD1-CD2 3.6Å; L283-Y315 HydrophobicContact CD1-CE1 4.16Å; L283-Y315 HydrophobicContact CD1-CE2 3.72Å; L283-Y315 HydrophobicContact CD1-CG 3.74Å; L283-Y315 HydrophobicContact CG-CD2 3.66Å; L283-Y315 HydrophobicContact CG-CE2 4.18Å; L283-Y315 HydrophobicContact CG-CG 3.91Å; Y315-P317 WeakPolarHBondContact O-CD 2.93Å
316T97.7Very high98.4Very high14 Ų1414 Ų149%0.0867%0.067CC..  trans-110.689.1162.9-640000109G280 D281 R318 N319 V320G280-T316 PolarHBondContact O-OG1 3.25Å; D281-T316 PolarHBondContact OD1-N 2.74Å; T316-R318 VanDerWaalsContact C-N 3.3Å; T316-R318 HydrophobicContact CG2-CG 3.91Å; T316-R318 PolarHBondContact O-N 3.23Å; T316-R318 VanDerWaalsContact O-N 3.07Å; T316-N319 HydrophobicContact CG2-CB 4.04Å; T316-N319 PolarHBondContact O-N 2.86Å; T316-V320 PolarHBondContact O-N 3.46Å; T316-V320 VanDerWaalsContact O-N 3.14Å
317P97.6Very high98.4Very high34 Ų3412.2 Ų12.222%0.2216%0.055CC..Hα-helixtrans-51.4-39.6-167.1-32.637.4000115.9K43 R46 M49 Y315 N319 V320 A321K43-P317 HydrophobicContact CB-CG 3.97Å; K43-P317 HydrophobicContact CG-CG 4.16Å; R46-P317 HydrophobicContact CB-CB 3.94Å; M49-P317 HydrophobicContact SD-CB 3.88Å; Y315-P317 WeakPolarHBondContact O-CD 2.93Å; P317-N319 VanDerWaalsContact C-N 3.32Å; P317-N319 PolarHBondContact O-N 3.25Å; P317-V320 PolarHBondContact O-N 2.88Å; P317-A321 WeakPolarHBondContact O-CB 3.45Å; P317-A321 PolarHBondContact O-N 3.27Å
318R97.2Very high98.4Very high114 Ų11412.1 Ų12.143%0.436%0.055SC..Hα-helixtrans-61.3-37.1176.562.8177.7-177.5-94.9-5.1113M49 T316 R322 Y348 Y349M49-R318 HydrophobicContact CE-CB 4.31Å; T316-R318 VanDerWaalsContact C-N 3.3Å; T316-R318 HydrophobicContact CG2-CG 3.91Å; T316-R318 PolarHBondContact O-N 3.23Å; T316-R318 VanDerWaalsContact O-N 3.07Å; R318-R322 WeakPolarHBondContact O-CD 3.43Å; R318-R322 VanDerWaalsContact O-CG 3.27Å; R318-R322 WeakPolarHBondContact O-CG 3.41Å; R318-R322 PolarHBondContact O-N 3.41Å; R318-Y348 VanDerWaalsContact CD-O 3.24Å; R318-Y348 WeakPolarHBondContact CD-O 3.41Å; R318-Y349 HydrophobicContact CB-CD1 3.97Å; R318-Y349 HydrophobicContact CB-CE1 4.01Å; R318-Y349 WeakPolarHBondContact O-CE1 3.17Å
319N97.8Very high98.4Very high15 Ų1512.3 Ų12.38%0.086%0.056CC..Hα-helixtrans-78.7-36.8-179.9-70.9-1.7000111L278 T316 P317 A321 R322 C323L278-N319 HydrophobicContact CD1-CB 4.33Å; T316-N319 HydrophobicContact CG2-CB 4.04Å; T316-N319 PolarHBondContact O-N 2.86Å; P317-N319 VanDerWaalsContact C-N 3.32Å; P317-N319 PolarHBondContact O-N 3.25Å; N319-A321 VanDerWaalsContact C-N 3.34Å; N319-A321 PolarHBondContact O-N 3.24Å; N319-R322 PolarHBondContact O-N 3.46Å; N319-R322 PolarHBondContact OD1-NH1 3.34Å; N319-C323 WeakPolarHBondContact O-CB 3.21Å; N319-C323 PolarHBondContact O-N 3.02Å
320V98.6Very high98.3Very high1 Ų113.1 Ų13.11%0.0066%0.061CC..Hα-helixtrans-56.8-50171.1179.90000110.5R46 A275 G314 T316 P317 R322 C323 W324R46-V320 HydrophobicContact CB-CB 4.24Å; R46-V320 HydrophobicContact CB-CG1 4.14Å; R46-V320 HydrophobicContact CG-CG1 3.97Å; A275-V320 HydrophobicContact CB-CB 4.35Å; A275-V320 HydrophobicContact CB-CG1 4.28Å; A275-V320 HydrophobicContact CB-CG2 4.1Å; G314-V320 WeakPolarHBondContact O-CG2 3.48Å; T316-V320 PolarHBondContact O-N 3.46Å; T316-V320 VanDerWaalsContact O-N 3.14Å; P317-V320 PolarHBondContact O-N 2.88Å; V320-R322 PolarHBondContact O-N 3.27Å; V320-C323 PolarHBondContact O-N 2.85Å; V320-W324 HydrophobicContact CG1-CD2 3.62Å; V320-W324 HydrophobicContact CG1-CE3 3.54Å; V320-W324 HydrophobicContact CG1-CG 4.45Å; V320-W324 HydrophobicContact CG1-CH2 3.62Å; V320-W324 HydrophobicContact CG1-CZ2 3.66Å; V320-W324 HydrophobicContact CG1-CZ3 3.54Å; V320-W324 PolarHBondContact O-N 3.03Å
321A98.5Very high98.3Very high0 Ų013.1 Ų13.10%06%0.061CC..Hα-helixtrans-59.3-44.8178.900000112.5M49 A50 L53 P317 N319 A325 Y349M49-A321 HydrophobicContact CB-CB 3.65Å; A50-A321 HydrophobicContact CB-CB 4.33Å; L53-A321 HydrophobicContact CD1-CB 4.03Å; P317-A321 WeakPolarHBondContact O-CB 3.45Å; P317-A321 PolarHBondContact O-N 3.27Å; N319-A321 VanDerWaalsContact C-N 3.34Å; N319-A321 PolarHBondContact O-N 3.24Å; A321-A325 WeakPolarHBondContact O-CB 3.4Å; A321-A325 PolarHBondContact O-N 2.68Å; A321-Y349 HydrophobicContact CB-CE1 4.42Å; A321-Y349 WeakPolarHBondContact CB-OH 3.5Å
322R98.6Very high98.2Very high10 Ų1013.7 Ų13.74%0.0386%0.064CC..Hα-helixtrans-59-46.4174.9-74.3166172.2139.1-6.4111.7V290 R318 N319 V320 Y326 Y349 D352 M354 L355V290-R322 HydrophobicContact CG2-CB 4.19Å; R318-R322 WeakPolarHBondContact O-CD 3.43Å; R318-R322 VanDerWaalsContact O-CG 3.27Å; R318-R322 WeakPolarHBondContact O-CG 3.41Å; R318-R322 PolarHBondContact O-N 3.41Å; N319-R322 PolarHBondContact O-N 3.46Å; N319-R322 PolarHBondContact OD1-NH1 3.34Å; V320-R322 PolarHBondContact O-N 3.27Å; R322-Y326 WeakPolarHBondContact O-CB 3.48Å; R322-Y326 PolarHBondContact O-N 2.92Å; R322-Y349 HydrophobicContact CG-CD1 4.27Å; R322-Y349 HydrophobicContact CG-CE1 4.14Å; R322-Y349 PolarHBondContact NH2-O 2.96Å; R322-D352 IonicContact NH2-OD1 3.36Å; R322-D352 PolarHBondContact NH2-OD1 2.83Å; R322-M354 PolarHBondContact NE-O 3.19Å; R322-M354 PolarHBondContact NH2-O 2.6Å; R322-L355 HydrophobicContact CB-CD1 4.09Å; R322-L355 WeakPolarHBondContact CB-O 3.46Å; R322-L355 WeakPolarHBondContact CD-O 3.45Å; R322-L355 HydrophobicContact CG-CD1 4.35Å; R322-L355 WeakPolarHBondContact O-CD1 3.35Å
323C98.8Very high98.1Very high0 Ų013.6 Ų13.60%06%0.063CC..Hα-helixtrans-63.3-56.3-177.9-166.20000111.9A275 L278 V290 N319 V320 A325 Y326 E327A275-C323 HydrophobicContact CB-CB 4.18Å; L278-C323 HydrophobicContact CD1-CB 3.67Å; V290-C323 HydrophobicContact CG2-CB 4.2Å; N319-C323 WeakPolarHBondContact O-CB 3.21Å; N319-C323 PolarHBondContact O-N 3.02Å; V320-C323 PolarHBondContact O-N 2.85Å; C323-A325 VanDerWaalsContact C-N 3.29Å; C323-A325 PolarHBondContact O-N 2.71Å; C323-Y326 CarbonylContact O-C 3.55Å; C323-Y326 WeakPolarHBondContact O-CA 3.43Å; C323-Y326 WeakPolarHBondContact O-CB 3.41Å; C323-Y326 PolarHBondContact O-N 3.35Å; C323-E327 WeakPolarHBondContact O-CG 3.21Å; C323-E327 PolarHBondContact O-N 3.16Å
324W98.9Very high97.9Very high0 Ų014 Ų140%07%0.065CC..Hα-helixtrans-64.7-32.4-178.2-66.8-17.1000112.9R46 V47 A50 W147 C273 V320 T328R46-W324 HydrophobicContact CG-CH2 4.42Å; R46-W324 HydrophobicContact CG-CZ3 4.16Å; V47-W324 HydrophobicContact CG2-CH2 4.46Å; V47-W324 HydrophobicContact CG2-CZ3 3.85Å; A50-W324 HydrophobicContact CB-CB 4.16Å; A50-W324 HydrophobicContact CB-CE3 4.04Å; W147-W324 HydrophobicContact CB-CD2 4.18Å; W147-W324 HydrophobicContact CB-CE3 3.72Å; W147-W324 HydrophobicContact CB-CZ3 4Å; W147-W324 HydrophobicContact CD2-CB 3.82Å; W147-W324 HydrophobicContact CD2-CD2 4.1Å; W147-W324 HydrophobicContact CD2-CE3 4.49Å; W147-W324 AromaticContact CD2-CG 3.82Å; W147-W324 HydrophobicContact CD2-CG 3.82Å; W147-W324 HydrophobicContact CE3-CB 4.2Å; W147-W324 AromaticContact CE3-CD1 3.75Å; W147-W324 AromaticContact CE3-CD2 4Å; W147-W324 HydrophobicContact CE3-CD2 4Å; W147-W324 AromaticContact CE3-CG 3.75Å; W147-W324 HydrophobicContact CE3-CG 3.75Å; W147-W324 HydrophobicContact CG-CB 4.15Å; W147-W324 HydrophobicContact CG-CD2 4.2Å; W147-W324 HydrophobicContact CG-CE3 4.11Å; W147-W324 HydrophobicContact CG-CG 4.27Å; W147-W324 HydrophobicContact CH2-CB 4.45Å; W147-W324 HydrophobicContact CH2-CG 4.48Å; W147-W324 HydrophobicContact CZ2-CB 4.12Å; W147-W324 WeakPolarHBondContact CZ2-O 3.07Å; W147-W324 AromaticContact CZ3-CD1 3.73Å; W147-W324 HydrophobicContact CZ3-CG 4.11Å; W147-W324 VanDerWaalsContact O-CH2 3.3Å; W147-W324 WeakPolarHBondContact O-CH2 3.33Å; W147-W324 WeakPolarHBondContact O-CZ3 3.23Å; C273-W324 PolarHBondContact O-NE1 3.39Å; V320-W324 HydrophobicContact CG1-CD2 3.62Å; V320-W324 HydrophobicContact CG1-CE3 3.54Å; V320-W324 HydrophobicContact CG1-CG 4.45Å; V320-W324 HydrophobicContact CG1-CH2 3.62Å; V320-W324 HydrophobicContact CG1-CZ2 3.66Å; V320-W324 HydrophobicContact CG1-CZ3 3.54Å; V320-W324 PolarHBondContact O-N 3.03Å; W324-T328 WeakPolarHBondContact O-CB 3.38Å; W324-T328 PolarHBondContact O-N 3.45Å; W324-T328 PolarHBondContact O-OG1 2.94Å
325A98.7Very high97.8Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-64.5-44.7170.800000111.8L53 I54 M59 A321 C323 T328 S329L53-A325 HydrophobicContact CB-CB 3.68Å; L53-A325 HydrophobicContact CD1-CB 4.08Å; I54-A325 HydrophobicContact CG1-CB 4.32Å; M59-A325 HydrophobicContact CE-CB 4.32Å; M59-A325 VanDerWaalsContact CE-O 3.24Å; M59-A325 WeakPolarHBondContact CE-O 3.41Å; A321-A325 WeakPolarHBondContact O-CB 3.4Å; A321-A325 PolarHBondContact O-N 2.68Å; C323-A325 VanDerWaalsContact C-N 3.29Å; C323-A325 PolarHBondContact O-N 2.71Å; A325-T328 WeakPolarHBondContact O-CB 3.47Å; A325-T328 PolarHBondContact O-N 2.97Å; A325-S329 PolarHBondContact O-N 3.5Å; A325-S329 VanDerWaalsContact O-N 3.14Å
326Y98.7Very high97.7Very high48 Ų4817.3 Ų17.319%0.1889%0.089CC..Hα-helixtrans-64.4-43.3176-177.3-112.9000112.3V290 R322 C323 T328 S329 V330 I336 L355V290-Y326 VanDerWaalsContact CG1-CB 3.43Å; V290-Y326 HydrophobicContact CG1-CD1 3.52Å; V290-Y326 HydrophobicContact CG1-CE1 4.43Å; V290-Y326 HydrophobicContact CG1-CG 3.59Å; V290-Y326 WeakPolarHBondContact O-CD1 3.45Å; R322-Y326 WeakPolarHBondContact O-CB 3.48Å; R322-Y326 PolarHBondContact O-N 2.92Å; C323-Y326 CarbonylContact O-C 3.55Å; C323-Y326 WeakPolarHBondContact O-CA 3.43Å; C323-Y326 WeakPolarHBondContact O-CB 3.41Å; C323-Y326 PolarHBondContact O-N 3.35Å; Y326-T328 VanDerWaalsContact C-N 3.28Å; Y326-T328 PolarHBondContact O-N 3.38Å; Y326-S329 WeakPolarHBondContact O-CA 3.4Å; Y326-S329 WeakPolarHBondContact O-CB 3.42Å; Y326-S329 PolarHBondContact O-N 3.48Å; Y326-S329 PolarHBondContact O-OG 3.44Å; Y326-V330 HydrophobicContact CD1-CG2 4.29Å; Y326-V330 HydrophobicContact CE1-CG2 3.97Å; Y326-V330 WeakPolarHBondContact O-CG2 3.37Å; Y326-V330 PolarHBondContact O-N 2.95Å; Y326-I336 HydrophobicContact CD2-CD1 4.4Å; Y326-L355 HydrophobicContact CD2-CD2 3.82Å; Y326-L355 HydrophobicContact CG-CD2 4.38Å
327E98.8Very high97.6Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-65.5-33177.2-69.4-175.6135.400112.7W147 H293 V297 M309 C323 S329 V330 A331W147-E327 HydrophobicContact CH2-CB 3.84Å; W147-E327 HydrophobicContact CZ2-CB 4.13Å; H293-E327 IonicContact CE1-OE1 2.78Å; H293-E327 PolarHBondContact CE1-OE1 3.34Å; H293-E327 IonicContact CG-OE1 3.5Å; H293-E327 IonicContact ND1-OE1 2.71Å; H293-E327 PolarHBondContact ND1-OE1 2.88Å; H293-E327 IonicContact ND1-OE2 2.92Å; V297-E327 HydrophobicContact CG2-CB 4.27Å; V297-E327 HydrophobicContact CG2-CG 3.93Å; V297-E327 WeakPolarHBondContact CG2-OE1 3.5Å; M309-E327 HydrophobicContact CE-CB 4.28Å; C323-E327 WeakPolarHBondContact O-CG 3.21Å; C323-E327 PolarHBondContact O-N 3.16Å; E327-S329 VanDerWaalsContact C-N 3.31Å; E327-S329 PolarHBondContact O-N 2.78Å; E327-V330 PolarHBondContact O-N 3.46Å; E327-A331 WeakPolarHBondContact O-CB 3.36Å; E327-A331 PolarHBondContact O-N 2.81Å
328T98.7Very high97.6Very high0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-60.1-42.8169.1-56.60000110.4I54 M59 M63 I145 W147 W324 A325 Y326 V330 A331 L332I54-T328 HydrophobicContact CD1-CG2 4.28Å; I54-T328 WeakPolarHBondContact CD1-OG1 3.48Å; I54-T328 HydrophobicContact CG1-CG2 4.21Å; I54-T328 HydrophobicContact CG2-CG2 4.39Å; M59-T328 HydrophobicContact CE-CG2 4.49Å; M59-T328 HydrophobicContact SD-CG2 4.3Å; M63-T328 HydrophobicContact CE-CG2 4.12Å; M63-T328 HydrophobicContact SD-CG2 4.04Å; I145-T328 HydrophobicContact CD1-CG2 4.32Å; W147-T328 WeakPolarHBondContact CZ2-OG1 3.47Å; W147-T328 PolarHBondContact NE1-OG1 3.46Å; W324-T328 WeakPolarHBondContact O-CB 3.38Å; W324-T328 PolarHBondContact O-N 3.45Å; W324-T328 PolarHBondContact O-OG1 2.94Å; A325-T328 WeakPolarHBondContact O-CB 3.47Å; A325-T328 PolarHBondContact O-N 2.97Å; Y326-T328 VanDerWaalsContact C-N 3.28Å; Y326-T328 PolarHBondContact O-N 3.38Å; T328-V330 VanDerWaalsContact C-N 3.33Å; T328-V330 PolarHBondContact O-N 3.25Å; T328-A331 PolarHBondContact O-N 2.87Å; T328-L332 HydrophobicContact CG2-CD1 4.01Å; T328-L332 WeakPolarHBondContact O-CB 3.28Å; T328-L332 VanDerWaalsContact O-CG 3.23Å; T328-L332 WeakPolarHBondContact O-CG 3.49Å; T328-L332 PolarHBondContact O-N 2.69Å
329S98.2Very high97.6Very high3 Ų323.8 Ų23.82%0.02113%0.126CC..Hα-helixtrans-65.4-37.5176.693.50000112.3M59 A325 Y326 E327 L332 G333 V334M59-S329 VanDerWaalsContact SD-CA 3.57Å; M59-S329 WeakPolarHBondContact SD-CB 3.34Å; A325-S329 PolarHBondContact O-N 3.5Å; A325-S329 VanDerWaalsContact O-N 3.14Å; Y326-S329 WeakPolarHBondContact O-CA 3.4Å; Y326-S329 WeakPolarHBondContact O-CB 3.42Å; Y326-S329 PolarHBondContact O-N 3.48Å; Y326-S329 PolarHBondContact O-OG 3.44Å; E327-S329 VanDerWaalsContact C-N 3.31Å; E327-S329 PolarHBondContact O-N 2.78Å; S329-L332 PolarHBondContact O-N 3.33Å; S329-G333 PolarHBondContact O-N 3.46Å; S329-V334 PolarHBondContact O-N 3.37Å; S329-V334 PolarHBondContact OG-O 2.93Å
330V97.9Very high97.6Very high17 Ų1723.3 Ų23.310%0.10312%0.124CC..Hα-helixtrans-64.5-45.7174.8175.50000110.7V297 E298 R301 Y326 E327 T328 L332 G333V297-V330 HydrophobicContact CB-CG1 4.18Å; V297-V330 HydrophobicContact CG1-CB 4.3Å; V297-V330 HydrophobicContact CG1-CG1 3.85Å; E298-V330 HydrophobicContact CB-CG1 3.65Å; E298-V330 HydrophobicContact CG-CG1 4.16Å; R301-V330 WeakPolarHBondContact CD-O 3.23Å; R301-V330 PolarHBondContact NE-O 2.64Å; R301-V330 VanDerWaalsContact NE-O 3.13Å; Y326-V330 HydrophobicContact CD1-CG2 4.29Å; Y326-V330 HydrophobicContact CE1-CG2 3.97Å; Y326-V330 WeakPolarHBondContact O-CG2 3.37Å; Y326-V330 PolarHBondContact O-N 2.95Å; E327-V330 PolarHBondContact O-N 3.46Å; T328-V330 VanDerWaalsContact C-N 3.33Å; T328-V330 PolarHBondContact O-N 3.25Å; V330-L332 VanDerWaalsContact C-N 3.34Å; V330-L332 PolarHBondContact O-N 2.83Å; V330-G333 PolarHBondContact O-N 3.26Å
331A98Very high97.5Very high0 Ų024.7 Ų24.70%013%0.133CC..Hα-helixtrans-56.8-48.617500000110.9I23 I143 I145 R301 M309 E327 T328 G333I23-A331 HydrophobicContact CD1-CB 4.31Å; I23-A331 WeakPolarHBondContact CD1-O 3.23Å; I143-A331 HydrophobicContact CD1-CB 4.39Å; I145-A331 HydrophobicContact CD1-CB 3.92Å; R301-A331 PolarHBondContact NE-O 3.13Å; M309-A331 HydrophobicContact SD-CB 3.79Å; E327-A331 WeakPolarHBondContact O-CB 3.36Å; E327-A331 PolarHBondContact O-N 2.81Å; T328-A331 PolarHBondContact O-N 2.87Å; A331-G333 PolarHBondContact O-N 3.03Å
332L97Very high97.3Very high12 Ų1232 Ų326%0.06317%0.165CC..Hα-helixtrans-62.7-23.5175.3-69169000113.7I23 M59 H62 M63 T328 S329 V330 V334I23-L332 HydrophobicContact CB-CD2 4.21Å; I23-L332 VanDerWaalsContact CD1-CA 3.5Å; I23-L332 HydrophobicContact CD1-CB 4.4Å; I23-L332 HydrophobicContact CD1-CD2 3.68Å; I23-L332 HydrophobicContact CD1-CG 4.17Å; I23-L332 HydrophobicContact CG1-CD2 4.44Å; I23-L332 HydrophobicContact CG2-CD2 4.36Å; M59-L332 HydrophobicContact CB-CD1 3.62Å; M59-L332 HydrophobicContact CG-CD1 3.91Å; M59-L332 HydrophobicContact SD-CD1 4.09Å; H62-L332 HydrophobicContact CB-CD1 4.28Å; H62-L332 HydrophobicContact CB-CD2 3.72Å; H62-L332 HydrophobicContact CB-CG 4.45Å; H62-L332 WeakPolarHBondContact O-CD2 3.2Å; M63-L332 HydrophobicContact CB-CD2 3.81Å; M63-L332 HydrophobicContact CG-CD2 4.26Å; M63-L332 HydrophobicContact SD-CD1 4.37Å; M63-L332 HydrophobicContact SD-CD2 4.25Å; T328-L332 HydrophobicContact CG2-CD1 4.01Å; T328-L332 WeakPolarHBondContact O-CB 3.28Å; T328-L332 VanDerWaalsContact O-CG 3.23Å; T328-L332 WeakPolarHBondContact O-CG 3.49Å; T328-L332 PolarHBondContact O-N 2.69Å; S329-L332 PolarHBondContact O-N 3.33Å; V330-L332 VanDerWaalsContact C-N 3.34Å; V330-L332 PolarHBondContact O-N 2.83Å; L332-V334 HydrophobicContact CB-CG1 4.23Å; L332-V334 HydrophobicContact CB-CG2 3.82Å; L332-V334 HydrophobicContact CD1-CG2 4.3Å
333G95.7Very high97.1Very high0 Ų031.7 Ų31.70%016%0.164CC..THydrogen-bonded Turntrans66.240.5-172.600000111.6T16 S329 V330 A331T16-G333 PolarHBondContact N-O 2.95Å; T16-G333 PolarHBondContact OG1-O 3.38Å; T16-G333 VanDerWaalsContact OG1-O 3.06Å; S329-G333 PolarHBondContact O-N 3.46Å; V330-G333 PolarHBondContact O-N 3.26Å; A331-G333 PolarHBondContact O-N 3.03Å
334V95.2Very high96.9Very high11 Ų1137.7 Ų37.77%0.06720%0.196CC..EExtended strand (participates in β ladder)trans-121.2147.4176.7-59.80000110.6L13 M14 S329 L332 I336L13-V334 HydrophobicContact CB-CB 4.41Å; L13-V334 HydrophobicContact CD1-CG2 4.1Å; M14-V334 WeakPolarHBondContact O-CA 3.36Å; S329-V334 PolarHBondContact O-N 3.37Å; S329-V334 PolarHBondContact OG-O 2.93Å; L332-V334 HydrophobicContact CB-CG1 4.23Å; L332-V334 HydrophobicContact CB-CG2 3.82Å; L332-V334 HydrophobicContact CD1-CG2 4.3Å; V334-I336 HydrophobicContact CG2-CG2 4.45Å
335S94.8Very high96.7Very high67 Ų6739.1 Ų39.147%0.46920%0.202SC..EExtended strand (participates in β ladder)trans-89.3131173.3-169.90000109.6M14M14-S335 PolarHBondContact O-N 3.45Å
336I96.2Very high96.6Very high18 Ų1841.2 Ų41.29%0.09221%0.211CC..  trans-116.3147.3174.957.3172000110.7L13 Y57 M59 Y326 V334 L355L13-I336 HydrophobicContact CD1-CG2 4.13Å; L13-I336 HydrophobicContact CD2-CG2 4.14Å; Y57-I336 HydrophobicContact CD1-CB 3.87Å; Y57-I336 HydrophobicContact CD1-CD1 4.38Å; Y57-I336 HydrophobicContact CD1-CG2 4.15Å; Y57-I336 HydrophobicContact CD2-CD1 4.21Å; Y57-I336 HydrophobicContact CE1-CB 4.03Å; Y57-I336 HydrophobicContact CE1-CD1 4.3Å; Y57-I336 HydrophobicContact CE2-CD1 4.14Å; Y57-I336 HydrophobicContact CG-CB 4.42Å; Y57-I336 HydrophobicContact CG-CD1 4.35Å; Y57-I336 HydrophobicContact CG-CG2 4.36Å; M59-I336 HydrophobicContact CE-CD1 4.42Å; M59-I336 HydrophobicContact CG-CG2 4.26Å; M59-I336 HydrophobicContact SD-CD1 4.45Å; M59-I336 HydrophobicContact SD-CG2 4.02Å; Y326-I336 HydrophobicContact CD2-CD1 4.4Å; V334-I336 HydrophobicContact CG2-CG2 4.45Å; I336-L355 HydrophobicContact CD1-CD2 3.49Å; I336-L355 VanDerWaalsContact CD1-CD2 3.49Å; I336-L355 HydrophobicContact CG1-CD2 3.95Å
337P96.5Very high96.5Very high77 Ų7744.5 Ų44.550%0.523%0.232SC..  trans-59.2148.2175.7-23.834.1000112.5Y57 K339Y57-P337 WeakPolarHBondContact CE1-O 3.21Å; Y57-P337 PolarHBondContact OH-O 3.04Å; P337-K339 VanDerWaalsContact C-N 3.31Å
338N97.4Very high96.3Very high73 Ų7350.8 Ų50.839%0.3926%0.256SS..SBendtrans-71.7-26.8173.3-174.336.9000112.6L340 M354 L355 Q356N338-L340 PolarHBondContact O-N 3.48Å; N338-M354 CarbonylContact O-C 3.56Å; N338-M354 WeakPolarHBondContact O-CA 3.24Å; N338-L355 WeakPolarHBondContact O-CB 3.42Å; N338-L355 PolarHBondContact O-N 2.96Å; N338-L355 PolarHBondContact OD1-N 3.49Å; N338-Q356 WeakPolarHBondContact OD1-CB 3.43Å; N338-Q356 WeakPolarHBondContact OD1-CG 3.22Å; N338-Q356 PolarHBondContact OD1-N 3.4Å
339K97.1Very high96.2Very high147 Ų14750.8 Ų50.864%0.63926%0.256SS*.BIsolated β-bridgetrans-73.8126176.5-172.9179.3-178.7-179.90109P337P337-K339 VanDerWaalsContact C-N 3.31Å
340L97.2Very high96Very high5 Ų556.8 Ų56.83%0.02628%0.284CS..PPolyproline II helixtrans-64.6136.4177.8-63.5179.5000110.6L53 Y57 N338 F346 Y349 H353 L355L53-L340 HydrophobicContact CD1-CD2 4.42Å; L53-L340 HydrophobicContact CD2-CD2 4.02Å; Y57-L340 HydrophobicContact CE2-CD2 4.32Å; Y57-L340 WeakPolarHBondContact OH-CD2 3.36Å; N338-L340 PolarHBondContact O-N 3.48Å; L340-F346 HydrophobicContact CB-CE2 4.41Å; L340-Y349 VanDerWaalsContact CD1-CB 3.44Å; L340-Y349 HydrophobicContact CD1-CD1 3.53Å; L340-Y349 HydrophobicContact CD1-CD2 3.77Å; L340-Y349 HydrophobicContact CD1-CE1 4.18Å; L340-Y349 HydrophobicContact CD1-CE2 4.39Å; L340-Y349 HydrophobicContact CD1-CG 3.28Å; L340-H353 WeakPolarHBondContact CB-O 3.5Å; L340-H353 WeakPolarHBondContact CG-O 3.29Å; L340-H353 PolarHBondContact N-O 2.86Å; L340-L355 HydrophobicContact CD2-CB 3.91Å; L340-L355 HydrophobicContact CD2-CD1 3.91Å
341P96Very high95.9Very high30 Ų3061.7 Ų61.720%0.19532%0.316CS..PPolyproline II helixtrans-70.2152.7169.931.3-35.4000110N56 Y57 N343N56-P341 HydrophobicContact CB-CB 3.95Å; N56-P341 HydrophobicContact CB-CG 3.64Å; Y57-P341 HydrophobicContact CD1-CG 4.16Å; Y57-P341 HydrophobicContact CD2-CG 4.14Å; Y57-P341 HydrophobicContact CE1-CG 4.23Å; Y57-P341 HydrophobicContact CE2-CG 4.19Å; Y57-P341 HydrophobicContact CG-CG 4.11Å; P341-N343 PolarHBondContact O-N 2.71Å; P341-N343 PolarHBondContact O-ND2 3.29Å
342F94.9Very high95.6Very high155 Ų15565.3 Ų65.368%0.6834%0.336SS*.PPolyproline II helixtrans-58.6138.1171.7-174.2-96.5000110N56 F346N56-F342 PolarHBondContact OD1-O 2.74Å; F342-F346 HydrophobicContact CD2-CB 4.11Å; F342-F346 HydrophobicContact CD2-CD1 4.17Å; F342-F346 HydrophobicContact CD2-CD2 4.37Å; F342-F346 AromaticContact CD2-CG 3.97Å; F342-F346 HydrophobicContact CD2-CG 3.97Å; F342-F346 HydrophobicContact CE2-CB 4.21Å; F342-F346 HydrophobicContact CE2-CD1 4.48Å; F342-F346 HydrophobicContact CE2-CG 4.42Å
343N94Very high95.5Very high3 Ų366.4 Ų66.42%0.01634%0.34CS..  trans-160.1168.9-179.965.886.9000109.4N56 P341 Y345 F346N56-N343 HydrophobicContact CB-CB 4.36Å; N56-N343 WeakPolarHBondContact ND2-CB 3.46Å; P341-N343 PolarHBondContact O-N 2.71Å; P341-N343 PolarHBondContact O-ND2 3.29Å; N343-Y345 PolarHBondContact O-N 3.07Å; N343-Y345 WeakPolarHBondContact OD1-CA 3.46Å; N343-Y345 WeakPolarHBondContact OD1-CB 3.27Å; N343-Y345 PolarHBondContact OD1-N 2.96Å; N343-F346 VanDerWaalsContact O-CB 3.25Å; N343-F346 WeakPolarHBondContact O-CB 3.42Å; N343-F346 PolarHBondContact O-N 3.45Å; N343-F346 PolarHBondContact OD1-N 3.27Å
344D94.6Very high95.6Very high125 Ų12569.7 Ų69.767%0.66836%0.356SS*.THydrogen-bonded Turntrans-60.3-17.3-177-59-4.1000114.7H52H52-D344 IonicContact CE1-OD2 3.18Å; H52-D344 PolarHBondContact CE1-OD2 3.48Å; H52-D344 IonicContact ND1-OD2 3.65Å
345Y96Very high95.8Very high31 Ų3169.2 Ų69.212%0.12235%0.354CS..THydrogen-bonded Turntrans-108.316.1177.9-52.6-68.3000112.8H45 R48 M49 H52 N343 D347 Y348 Y349H45-Y345 AromaticContact CE1-CE1 3.48Å; H45-Y345 VanDerWaalsContact CE1-CE1 3.48Å; H45-Y345 WeakPolarHBondContact CE1-CE1 3.37Å; H45-Y345 AromaticContact CE1-CZ 3.73Å; H45-Y345 AromaticContact NE2-CD1 3.76Å; H45-Y345 AromaticContact NE2-CE1 3.23Å; H45-Y345 WeakPolarHBondContact NE2-CE1 3.13Å; H45-Y345 AromaticContact NE2-CZ 3.79Å; R48-Y345 WeakPolarHBondContact CD-OH 3.37Å; R48-Y345 HydrophobicContact CG-CE2 4.07Å; R48-Y345 WeakPolarHBondContact CG-OH 3.44Å; M49-Y345 HydrophobicContact CB-CD2 4.34Å; M49-Y345 HydrophobicContact CG-CD1 4.22Å; M49-Y345 HydrophobicContact CG-CD2 4Å; M49-Y345 HydrophobicContact CG-CE2 4.36Å; M49-Y345 HydrophobicContact CG-CG 3.93Å; H52-Y345 HydrophobicContact CB-CD2 3.91Å; H52-Y345 HydrophobicContact CB-CE2 4.03Å; H52-Y345 AromaticContact CD2-CE2 3.67Å; H52-Y345 AromaticContact CG-CD2 3.92Å; H52-Y345 AromaticContact CG-CE2 3.58Å; H52-Y345 AromaticContact ND1-CE2 3.85Å; H52-Y345 AromaticContact NE2-CE2 3.97Å; N343-Y345 PolarHBondContact O-N 3.07Å; N343-Y345 WeakPolarHBondContact OD1-CA 3.46Å; N343-Y345 WeakPolarHBondContact OD1-CB 3.27Å; N343-Y345 PolarHBondContact OD1-N 2.96Å; Y345-D347 PolarHBondContact O-N 3.07Å; Y345-D347 VanDerWaalsContact O-N 3.08Å; Y345-Y348 HydrophobicContact CD1-CD2 4.15Å; Y345-Y348 AromaticContact CD1-CE2 3.98Å; Y345-Y348 HydrophobicContact CD1-CE2 3.98Å; Y345-Y348 VanDerWaalsContact O-CB 3.3Å; Y345-Y348 WeakPolarHBondContact O-CB 3.5Å; Y345-Y348 PolarHBondContact O-N 2.93Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.3Å; Y345-Y349 WeakPolarHBondContact O-CE2 3.37Å
346F95.3Very high95.9Very high43 Ų4368.3 Ų68.319%0.18934%0.342CS..G310 helixtrans-52.5-37.6-172-167.1-107.2000113.6L340 F342 N343 Y348 Y349 H353L340-F346 HydrophobicContact CB-CE2 4.41Å; F342-F346 HydrophobicContact CD2-CB 4.11Å; F342-F346 HydrophobicContact CD2-CD1 4.17Å; F342-F346 HydrophobicContact CD2-CD2 4.37Å; F342-F346 AromaticContact CD2-CG 3.97Å; F342-F346 HydrophobicContact CD2-CG 3.97Å; F342-F346 HydrophobicContact CE2-CB 4.21Å; F342-F346 HydrophobicContact CE2-CD1 4.48Å; F342-F346 HydrophobicContact CE2-CG 4.42Å; N343-F346 VanDerWaalsContact O-CB 3.25Å; N343-F346 WeakPolarHBondContact O-CB 3.42Å; N343-F346 PolarHBondContact O-N 3.45Å; N343-F346 PolarHBondContact OD1-N 3.27Å; F346-Y348 VanDerWaalsContact C-N 3.29Å; F346-Y348 PolarHBondContact O-N 3.07Å; F346-Y349 WeakPolarHBondContact O-CD2 3.47Å; F346-Y349 PolarHBondContact O-N 3.3Å; F346-H353 AromaticContact CD1-CE1 3.62Å; F346-H353 AromaticContact CD1-ND1 3.54Å; F346-H353 HydrophobicContact CE1-CB 4.41Å; F346-H353 AromaticContact CE1-CE1 3.41Å; F346-H353 VanDerWaalsContact CE1-CE1 3.41Å; F346-H353 WeakPolarHBondContact CE1-CE1 3.42Å; F346-H353 AromaticContact CE1-CG 3.69Å; F346-H353 AromaticContact CE1-ND1 3.24Å; F346-H353 WeakPolarHBondContact CE1-ND1 3.46Å; F346-H353 AromaticContact CE1-NE2 3.93Å; F346-H353 HydrophobicContact CE2-CB 3.98Å; F346-H353 AromaticContact CE2-ND1 3.8Å; F346-H353 AromaticContact CG-ND1 3.94Å; F346-H353 HydrophobicContact CZ-CB 3.7Å; F346-H353 AromaticContact CZ-CG 3.48Å; F346-H353 VanDerWaalsContact CZ-CG 3.48Å; F346-H353 AromaticContact CZ-ND1 3.38Å; F346-H353 WeakPolarHBondContact CZ-ND1 3.44Å; F346-H353 PolarHBondContact O-CE1 3.43Å; F346-H353 VanDerWaalsContact O-CE1 3.32Å; F346-H353 PolarHBondContact O-ND1 3.21Å; F346-H353 VanDerWaalsContact O-ND1 3.08Å
347D96.2Very high95.8Very high117 Ų11768.5 Ų68.563%0.62634%0.343SS*.G310 helixtrans-69.6-22.5-179.4-58.4-17.1000113.1Y345 Y349 E350Y345-D347 PolarHBondContact O-N 3.07Å; Y345-D347 VanDerWaalsContact O-N 3.08Å; D347-Y349 PolarHBondContact O-N 2.99Å; D347-Y349 VanDerWaalsContact O-N 3.11Å; D347-E350 PolarHBondContact O-N 3.31Å
348Y96.2Very high95.7Very high132 Ų13270.5 Ų70.552%0.51835%0.354SS..G310 helixtrans-65.6-14.6174.4-77.2-103.1000112.9M49 R318 Y345 F346M49-Y348 HydrophobicContact CE-CD1 3.95Å; M49-Y348 HydrophobicContact CE-CG 3.9Å; M49-Y348 HydrophobicContact SD-CD1 4.48Å; R318-Y348 VanDerWaalsContact CD-O 3.24Å; R318-Y348 WeakPolarHBondContact CD-O 3.41Å; Y345-Y348 HydrophobicContact CD1-CD2 4.15Å; Y345-Y348 AromaticContact CD1-CE2 3.98Å; Y345-Y348 HydrophobicContact CD1-CE2 3.98Å; Y345-Y348 VanDerWaalsContact O-CB 3.3Å; Y345-Y348 WeakPolarHBondContact O-CB 3.5Å; Y345-Y348 PolarHBondContact O-N 2.93Å; F346-Y348 VanDerWaalsContact C-N 3.29Å; F346-Y348 PolarHBondContact O-N 3.07Å
349Y96.5Very high95.5Very high0 Ų070.4 Ų70.40%036%0.357CS..G310 helixtrans-1048.7-176.2-52.9-76.4000113.4M49 L53 R318 A321 R322 L340 Y345 F346 D347 H353M49-Y349 HydrophobicContact CE-CE1 4.41Å; L53-Y349 HydrophobicContact CD1-CE1 4.17Å; L53-Y349 WeakPolarHBondContact CD1-OH 3.37Å; L53-Y349 HydrophobicContact CD2-CE2 4.31Å; R318-Y349 HydrophobicContact CB-CD1 3.97Å; R318-Y349 HydrophobicContact CB-CE1 4.01Å; R318-Y349 WeakPolarHBondContact O-CE1 3.17Å; A321-Y349 HydrophobicContact CB-CE1 4.42Å; A321-Y349 WeakPolarHBondContact CB-OH 3.5Å; R322-Y349 HydrophobicContact CG-CD1 4.27Å; R322-Y349 HydrophobicContact CG-CE1 4.14Å; R322-Y349 PolarHBondContact NH2-O 2.96Å; L340-Y349 VanDerWaalsContact CD1-CB 3.44Å; L340-Y349 HydrophobicContact CD1-CD1 3.53Å; L340-Y349 HydrophobicContact CD1-CD2 3.77Å; L340-Y349 HydrophobicContact CD1-CE1 4.18Å; L340-Y349 HydrophobicContact CD1-CE2 4.39Å; L340-Y349 HydrophobicContact CD1-CG 3.28Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.3Å; Y345-Y349 WeakPolarHBondContact O-CE2 3.37Å; F346-Y349 WeakPolarHBondContact O-CD2 3.47Å; F346-Y349 PolarHBondContact O-N 3.3Å; D347-Y349 PolarHBondContact O-N 2.99Å; D347-Y349 VanDerWaalsContact O-N 3.11Å; Y349-H353 PolarHBondContact O-N 3.04Å
350E94.2Very high95.3Very high129 Ų12966.3 Ų66.360%0.60335%0.347SS*.THydrogen-bonded Turntrans-55.2151.7169.7-77.9-171.9173.800112.2D347D347-E350 PolarHBondContact O-N 3.31Å
351P94.2Very high95.1Very high120 Ų12072.6 Ų72.678%0.77939%0.389SS*.THydrogen-bonded Turncis-90.8-9.3-0.335.6-35.6000114.2
352D92.6Very high95Very high76 Ų7674.9 Ų74.941%0.40640%0.399SS..THydrogen-bonded Turntrans-97.3-26.1-166.561.433000114.7R322 M354R322-D352 IonicContact NH2-OD1 3.36Å; R322-D352 PolarHBondContact NH2-OD1 2.83Å; D352-M354 HydrophobicContact CB-CG 4Å; D352-M354 WeakPolarHBondContact O-CE 3.43Å; D352-M354 PolarHBondContact O-N 3.26Å; D352-M354 PolarHBondContact OD1-N 2.97Å
353H95.8Very high95.1Very high35 Ų3572 Ų7216%0.16239%0.394CS..  trans50.140.3-173-49.1-87.3000113.3L340 F346 Y349L340-H353 WeakPolarHBondContact CB-O 3.5Å; L340-H353 WeakPolarHBondContact CG-O 3.29Å; L340-H353 PolarHBondContact N-O 2.86Å; F346-H353 AromaticContact CD1-CE1 3.62Å; F346-H353 AromaticContact CD1-ND1 3.54Å; F346-H353 HydrophobicContact CE1-CB 4.41Å; F346-H353 AromaticContact CE1-CE1 3.41Å; F346-H353 VanDerWaalsContact CE1-CE1 3.41Å; F346-H353 WeakPolarHBondContact CE1-CE1 3.42Å; F346-H353 AromaticContact CE1-CG 3.69Å; F346-H353 AromaticContact CE1-ND1 3.24Å; F346-H353 WeakPolarHBondContact CE1-ND1 3.46Å; F346-H353 AromaticContact CE1-NE2 3.93Å; F346-H353 HydrophobicContact CE2-CB 3.98Å; F346-H353 AromaticContact CE2-ND1 3.8Å; F346-H353 AromaticContact CG-ND1 3.94Å; F346-H353 HydrophobicContact CZ-CB 3.7Å; F346-H353 AromaticContact CZ-CG 3.48Å; F346-H353 VanDerWaalsContact CZ-CG 3.48Å; F346-H353 AromaticContact CZ-ND1 3.38Å; F346-H353 WeakPolarHBondContact CZ-ND1 3.44Å; F346-H353 PolarHBondContact O-CE1 3.43Å; F346-H353 VanDerWaalsContact O-CE1 3.32Å; F346-H353 PolarHBondContact O-ND1 3.21Å; F346-H353 VanDerWaalsContact O-ND1 3.08Å; Y349-H353 PolarHBondContact O-N 3.04Å
354M97.7Very high95.3Very high69 Ų6973.7 Ų73.734%0.3440%0.403SS..BIsolated β-bridgetrans-101.7150.1176.5-62.1-63.9161.200111.8R322 N338 D352R322-M354 PolarHBondContact NE-O 3.19Å; R322-M354 PolarHBondContact NH2-O 2.6Å; N338-M354 CarbonylContact O-C 3.56Å; N338-M354 WeakPolarHBondContact O-CA 3.24Å; D352-M354 HydrophobicContact CB-CG 4Å; D352-M354 WeakPolarHBondContact O-CE 3.43Å; D352-M354 PolarHBondContact O-N 3.26Å; D352-M354 PolarHBondContact OD1-N 2.97Å
355L97.7Very high95.4Very high1 Ų173 Ų731%0.00540%0.395CS..SBendtrans-75.3-47174.7-177.367.8000110.9Y57 R322 Y326 I336 N338 L340Y57-L355 HydrophobicContact CE2-CD1 4.24Å; R322-L355 HydrophobicContact CB-CD1 4.09Å; R322-L355 WeakPolarHBondContact CB-O 3.46Å; R322-L355 WeakPolarHBondContact CD-O 3.45Å; R322-L355 HydrophobicContact CG-CD1 4.35Å; R322-L355 WeakPolarHBondContact O-CD1 3.35Å; Y326-L355 HydrophobicContact CD2-CD2 3.82Å; Y326-L355 HydrophobicContact CG-CD2 4.38Å; I336-L355 HydrophobicContact CD1-CD2 3.49Å; I336-L355 VanDerWaalsContact CD1-CD2 3.49Å; I336-L355 HydrophobicContact CG1-CD2 3.95Å; N338-L355 WeakPolarHBondContact O-CB 3.42Å; N338-L355 PolarHBondContact O-N 2.96Å; N338-L355 PolarHBondContact OD1-N 3.49Å; L340-L355 HydrophobicContact CD2-CB 3.91Å; L340-L355 HydrophobicContact CD2-CD1 3.91Å
356Q97.3Very high95.5Very high49 Ų4971.5 Ų71.523%0.22939%0.39CS..SBendtrans-77.2135.9-179.9-60.7-57.4-33.200110.6N338N338-Q356 WeakPolarHBondContact OD1-CB 3.43Å; N338-Q356 WeakPolarHBondContact OD1-CG 3.22Å; N338-Q356 PolarHBondContact OD1-N 3.4Å
357I95.1Very high95.7Very high21 Ų2172 Ų7211%0.10840%0.399CS..PPolyproline II helixtrans-95.7152.2174.367.7177.7000110.5L278 A279 V290L278-I357 HydrophobicContact CB-CD1 3.88Å; L278-I357 HydrophobicContact CD1-CD1 4.33Å; L278-I357 HydrophobicContact CD2-CD1 4.12Å; L278-I357 HydrophobicContact CG-CD1 4.34Å; A279-I357 HydrophobicContact CB-CD1 4.43Å; V290-I357 HydrophobicContact CG2-CD1 4.31Å; V290-I357 HydrophobicContact CG2-CG1 4.11Å; V290-I357 HydrophobicContact CG2-CG2 4.14Å
358V93.3Very high95.7Very high120 Ų12070.8 Ų70.873%0.72739%0.392SS*.PPolyproline II helixtrans-86.9136.5176.6-1750000109.4
359P93.3Very high95.8Very high70 Ų7072.2 Ų72.246%0.45540%0.403SS..PPolyproline II helixtrans-56.1149.8171.1-19.627.6000112.4T289T289-P359 HydrophobicContact CG2-CB 4.41Å; T289-P359 HydrophobicContact CG2-CG 3.53Å
360S92.5Very high95.9Very high61 Ų6174.3 Ų74.343%0.42741%0.412SS..PPolyproline II helixtrans-77.1158.3170.3-178.70000111.3N287 M362N287-S360 PolarHBondContact ND2-O 2.82Å; N287-S360 WeakPolarHBondContact OD1-CA 3.4Å; N287-S360 VanDerWaalsContact OD1-CB 3.3Å; N287-S360 WeakPolarHBondContact OD1-CB 3.25Å; N287-S360 PolarHBondContact OD1-N 2.78Å; S360-M362 PolarHBondContact O-N 3.18Å; S360-M362 PolarHBondContact OG-N 3.38Å
361C93.1Very high96.1Very high137 Ų13768.2 Ų68.293%0.92638%0.383SS*.  trans-76.614.9170.8-55.50000113.5
362M94.5Very high96.3Very high79 Ų7968.3 Ų68.339%0.38937%0.373SS..PPolyproline II helixtrans-61.7139.5177.8177.4179.5-72.900111.2G243 S360G243-M362 WeakPolarHBondContact CA-SD 3.5Å; S360-M362 PolarHBondContact O-N 3.18Å; S360-M362 PolarHBondContact OG-N 3.38Å
363T96.6Very high96.6Very high93 Ų9372 Ų7257%0.57139%0.385SS*.PPolyproline II helixtrans-67.9130.5173-55.90000110.8H365T363-H365 PolarHBondContact O-CD2 3.41Å; T363-H365 PolarHBondContact O-N 2.91Å
364D97.9Very high96.8Very high40 Ų4070.4 Ų70.421%0.21438%0.378CS..PPolyproline II helixtrans-77.6117.1169.9-168.4-15.7000110.6G243 R248 N366G243-D364 WeakPolarHBondContact O-CA 3.29Å; G243-D364 WeakPolarHBondContact O-CB 3.34Å; R248-D364 WeakPolarHBondContact CD-OD2 3.49Å; R248-D364 IonicContact NE-OD2 2.6Å; D364-N366 VanDerWaalsContact C-N 3.35Å; D364-N366 WeakPolarHBondContact OD1-CB 3.43Å; D364-N366 PolarHBondContact OD1-N 2.96Å; D364-N366 PolarHBondContact OD1-ND2 3.36Å
365H98Very high96.8Very high109 Ų10969 Ų6951%0.50537%0.371SS..  trans-90.53.6179.7-66.8-71.4000113.9R241 G242 T363 S367R241-H365 HydrophobicContact CB-CB 3.74Å; R241-H365 WeakPolarHBondContact CD-O 3.37Å; G242-H365 WeakPolarHBondContact O-CB 3.27Å; G242-H365 PolarHBondContact O-N 2.94Å; T363-H365 PolarHBondContact O-CD2 3.41Å; T363-H365 PolarHBondContact O-N 2.91Å; H365-S367 PolarHBondContact O-N 3.33Å
366N98.3Very high96.8Very high1 Ų172.5 Ų72.51%0.00539%0.393CS..  trans-94.182.8-178.1-59.5-86.1000110.8R241 I244 R248 D364 L371R241-N366 PolarHBondContact N-OD1 2.88Å; R241-N366 PolarHBondContact O-ND2 3.03Å; I244-N366 WeakPolarHBondContact CB-ND2 3.46Å; R248-N366 PolarHBondContact NH1-O 3.21Å; D364-N366 VanDerWaalsContact C-N 3.35Å; D364-N366 WeakPolarHBondContact OD1-CB 3.43Å; D364-N366 PolarHBondContact OD1-N 2.96Å; D364-N366 PolarHBondContact OD1-ND2 3.36Å; N366-L371 HydrophobicContact CB-CD1 4.07Å; N366-L371 HydrophobicContact CB-CD2 3.87Å; N366-L371 HydrophobicContact CB-CG 4Å
367S97.8Very high96.9Very high54 Ų5473 Ų7338%0.37839%0.394SS..  trans-61.6153.5177.466.60000112.5H365 E369 Y370 L371H365-S367 PolarHBondContact O-N 3.33Å; S367-E369 VanDerWaalsContact C-N 3.26Å; S367-E369 PolarHBondContact O-N 3.04Å; S367-Y370 WeakPolarHBondContact O-CB 3.24Å; S367-Y370 PolarHBondContact O-N 2.86Å; S367-Y370 VanDerWaalsContact O-N 3.07Å; S367-Y370 WeakPolarHBondContact OG-CB 3.44Å; S367-Y370 PolarHBondContact OG-N 3.07Å; S367-L371 PolarHBondContact O-N 2.57Å
368D97.9Very high97.1Very high90 Ų9072.2 Ų72.248%0.48139%0.39SS..Hα-helixtrans-57.6-40.7176.7-67.7-38.8000112.4R248 Y370 L371 H372R248-D368 IonicContact CZ-OD1 3.72Å; R248-D368 IonicContact CZ-OD2 3.11Å; R248-D368 IonicContact NH1-OD1 3.65Å; R248-D368 PolarHBondContact NH1-OD1 2.83Å; R248-D368 IonicContact NH2-OD1 3.83Å; R248-D368 PolarHBondContact NH2-OD1 3.44Å; R248-D368 IonicContact NH2-OD2 2.68Å; R248-D368 PolarHBondContact NH2-OD2 2.68Å; D368-Y370 VanDerWaalsContact C-N 3.32Å; D368-Y370 PolarHBondContact O-N 3.08Å; D368-L371 PolarHBondContact O-N 3.03Å; D368-H372 WeakPolarHBondContact O-CB 3.41Å; D368-H372 PolarHBondContact O-N 3.42Å
369E98.3Very high97.3Very high163 Ų16369.7 Ų69.776%0.76237%0.372SS*.Hα-helixtrans-59.6-43.4175.6-173.5-174.8175.300111.7S367 K373S367-E369 VanDerWaalsContact C-N 3.26Å; S367-E369 PolarHBondContact O-N 3.04Å; E369-K373 VanDerWaalsContact O-CB 3.3Å; E369-K373 WeakPolarHBondContact O-CB 3.39Å; E369-K373 PolarHBondContact O-N 2.97Å
370Y98.5Very high97.5Very high44 Ų4470.4 Ų70.417%0.17337%0.37CS..Hα-helixtrans-65.4-51.9178.4172.9-108.9000111.5P239 R241 S367 D368 H372 K373 V374P239-Y370 PolarHBondContact O-OH 2.79Å; R241-Y370 HydrophobicContact CG-CE1 4.06Å; S367-Y370 WeakPolarHBondContact O-CB 3.24Å; S367-Y370 PolarHBondContact O-N 2.86Å; S367-Y370 VanDerWaalsContact O-N 3.07Å; S367-Y370 WeakPolarHBondContact OG-CB 3.44Å; S367-Y370 PolarHBondContact OG-N 3.07Å; D368-Y370 VanDerWaalsContact C-N 3.32Å; D368-Y370 PolarHBondContact O-N 3.08Å; Y370-H372 VanDerWaalsContact C-N 3.32Å; Y370-H372 PolarHBondContact O-N 3.14Å; Y370-K373 WeakPolarHBondContact O-CB 3.41Å; Y370-K373 PolarHBondContact O-N 2.78Å; Y370-V374 HydrophobicContact CD2-CG2 4.44Å; Y370-V374 HydrophobicContact CE1-CG2 4.34Å; Y370-V374 HydrophobicContact CE2-CG2 4Å; Y370-V374 WeakPolarHBondContact O-CG2 3.4Å; Y370-V374 PolarHBondContact O-N 3.2Å
371L98.7Very high97.8Very high1 Ų168.5 Ų68.51%0.00535%0.353CS..Hα-helixtrans-59.5-44.5179.7-67.4-178.9000111.2F238 L240 R248 M251 I252 N366 S367 D368 K373 V374 M375F238-L371 HydrophobicContact CE1-CD2 3.82Å; F238-L371 HydrophobicContact CZ-CD2 4.27Å; L240-L371 HydrophobicContact CD2-CD2 4.28Å; R248-L371 HydrophobicContact CB-CD1 4.39Å; M251-L371 HydrophobicContact CE-CD1 4.18Å; I252-L371 HydrophobicContact CD1-CD2 4.33Å; I252-L371 HydrophobicContact CG2-CB 4Å; I252-L371 HydrophobicContact CG2-CD1 3.97Å; I252-L371 HydrophobicContact CG2-CD2 4.15Å; I252-L371 HydrophobicContact CG2-CG 4.26Å; N366-L371 HydrophobicContact CB-CD1 4.07Å; N366-L371 HydrophobicContact CB-CD2 3.87Å; N366-L371 HydrophobicContact CB-CG 4Å; S367-L371 PolarHBondContact O-N 2.57Å; D368-L371 PolarHBondContact O-N 3.03Å; L371-K373 PolarHBondContact O-N 2.82Å; L371-V374 PolarHBondContact O-N 3.04Å; L371-M375 WeakPolarHBondContact O-CG 3.33Å; L371-M375 PolarHBondContact O-N 2.98Å
372H98.3Very high97.9Very high122 Ų12262.2 Ų62.257%0.56531%0.31SS*.Hα-helixtrans-61.5-43176.9-17568.2000111.9D368 Y370 V374 M375 V376D368-H372 WeakPolarHBondContact O-CB 3.41Å; D368-H372 PolarHBondContact O-N 3.42Å; Y370-H372 VanDerWaalsContact C-N 3.32Å; Y370-H372 PolarHBondContact O-N 3.14Å; H372-V374 VanDerWaalsContact C-N 3.34Å; H372-V374 PolarHBondContact O-N 3.17Å; H372-M375 PolarHBondContact O-N 3.42Å; H372-V376 WeakPolarHBondContact O-CG2 3.25Å; H372-V376 PolarHBondContact O-N 2.95Å
373K98.5Very high98Very high152 Ų15261.9 Ų61.966%0.66132%0.316SS*.Hα-helixtrans-59.8-42.7176.7-175.3-179.1179.9178.80112.1E369 Y370 L371 K377E369-K373 VanDerWaalsContact O-CB 3.3Å; E369-K373 WeakPolarHBondContact O-CB 3.39Å; E369-K373 PolarHBondContact O-N 2.97Å; Y370-K373 WeakPolarHBondContact O-CB 3.41Å; Y370-K373 PolarHBondContact O-N 2.78Å; L371-K373 PolarHBondContact O-N 2.82Å; K373-K377 PolarHBondContact O-N 3.3Å; K373-K377 VanDerWaalsContact O-N 3.13Å
374V98.7Very high97.9Very high3 Ų362 Ų622%0.01831%0.31CS..Hα-helixtrans-63.1-48.2175.4177.90000110.3L223 F238 Y370 L371 H372 V376 K377 L378L223-V374 HydrophobicContact CD1-CG1 4.08Å; L223-V374 HydrophobicContact CD2-CG1 4.47Å; L223-V374 HydrophobicContact CD2-CG2 4.3Å; F238-V374 HydrophobicContact CD1-CB 4.43Å; F238-V374 HydrophobicContact CD1-CG1 3.66Å; F238-V374 HydrophobicContact CD2-CG1 4Å; F238-V374 HydrophobicContact CE1-CB 3.88Å; F238-V374 HydrophobicContact CE1-CG1 3.57Å; F238-V374 HydrophobicContact CE1-CG2 4.42Å; F238-V374 HydrophobicContact CE2-CB 4.5Å; F238-V374 HydrophobicContact CE2-CG1 3.93Å; F238-V374 HydrophobicContact CG-CG1 3.86Å; F238-V374 HydrophobicContact CZ-CB 3.91Å; F238-V374 HydrophobicContact CZ-CG1 3.71Å; Y370-V374 HydrophobicContact CD2-CG2 4.44Å; Y370-V374 HydrophobicContact CE1-CG2 4.34Å; Y370-V374 HydrophobicContact CE2-CG2 4Å; Y370-V374 WeakPolarHBondContact O-CG2 3.4Å; Y370-V374 PolarHBondContact O-N 3.2Å; L371-V374 PolarHBondContact O-N 3.04Å; H372-V374 VanDerWaalsContact C-N 3.34Å; H372-V374 PolarHBondContact O-N 3.17Å; V374-V376 PolarHBondContact O-N 3.31Å; V374-K377 PolarHBondContact O-N 3.12Å; V374-K377 VanDerWaalsContact O-N 3.11Å; V374-L378 HydrophobicContact CG1-CD1 4.17Å; V374-L378 HydrophobicContact CG1-CG 4.36Å; V374-L378 WeakPolarHBondContact O-CG 3.33Å; V374-L378 PolarHBondContact O-N 2.8Å
375M98.6Very high97.7Very high39 Ų3960.5 Ų60.519%0.19230%0.301CS..Hα-helixtrans-59.2-42.1178.7-70.6179.881.800113.2F238 I252 P255 L371 H372 K377 L378 D379F238-M375 HydrophobicContact CE2-CG 3.69Å; F238-M375 HydrophobicContact CZ-CG 3.85Å; I252-M375 HydrophobicContact CB-SD 4.36Å; I252-M375 HydrophobicContact CG2-CG 4.49Å; I252-M375 HydrophobicContact CG2-SD 3.93Å; P255-M375 HydrophobicContact CB-CE 3.72Å; P255-M375 HydrophobicContact CG-CE 4.09Å; L371-M375 WeakPolarHBondContact O-CG 3.33Å; L371-M375 PolarHBondContact O-N 2.98Å; H372-M375 PolarHBondContact O-N 3.42Å; M375-K377 VanDerWaalsContact C-N 3.31Å; M375-K377 PolarHBondContact O-N 3.01Å; M375-L378 PolarHBondContact O-N 3.06Å; M375-D379 WeakPolarHBondContact O-CB 3.43Å; M375-D379 PolarHBondContact O-N 3.04Å
376V98.5Very high97.1Very high75 Ų7558.5 Ų58.546%0.45530%0.298SS..Hα-helixtrans-62.3-41.5176.3168.60000110.6H372 V374 D379 E380H372-V376 WeakPolarHBondContact O-CG2 3.25Å; H372-V376 PolarHBondContact O-N 2.95Å; V374-V376 PolarHBondContact O-N 3.31Å; V376-D379 WeakPolarHBondContact O-CB 3.3Å; V376-D379 PolarHBondContact O-N 2.94Å; V376-E380 PolarHBondContact O-N 3.15Å
377K98.7Very high95.7Very high60 Ų6063.8 Ų63.826%0.26133%0.334SS..Hα-helixtrans-69.3-40.2179.5-169.752.5166.1175.50112.6L223 K373 V374 M375 D379 E380 Y381L223-K377 HydrophobicContact CD1-CB 4.31Å; L223-K377 HydrophobicContact CD1-CG 4.19Å; L223-K377 HydrophobicContact CD2-CB 3.91Å; L223-K377 HydrophobicContact CD2-CG 3.89Å; L223-K377 HydrophobicContact CG-CB 4.36Å; L223-K377 HydrophobicContact CG-CG 3.97Å; K373-K377 PolarHBondContact O-N 3.3Å; K373-K377 VanDerWaalsContact O-N 3.13Å; V374-K377 PolarHBondContact O-N 3.12Å; V374-K377 VanDerWaalsContact O-N 3.11Å; M375-K377 VanDerWaalsContact C-N 3.31Å; M375-K377 PolarHBondContact O-N 3.01Å; K377-D379 VanDerWaalsContact C-N 3.29Å; K377-D379 PolarHBondContact O-N 3.36Å; K377-E380 HydrophobicContact CD-CB 4.45Å; K377-E380 VanDerWaalsContact CD-OE2 3.23Å; K377-E380 WeakPolarHBondContact CD-OE2 3.48Å; K377-E380 IonicContact NZ-OE1 2.84Å; K377-E380 PolarHBondContact NZ-OE1 3.25Å; K377-E380 IonicContact NZ-OE2 3.55Å; K377-E380 PolarHBondContact NZ-OE2 2.98Å; K377-E380 WeakPolarHBondContact O-CB 3.19Å; K377-E380 PolarHBondContact O-N 2.95Å; K377-Y381 HydrophobicContact CD-CE1 3.91Å; K377-Y381 VanDerWaalsContact CE-CE1 3.41Å; K377-Y381 VanDerWaalsContact CE-OH 3.28Å; K377-Y381 WeakPolarHBondContact CE-OH 3.37Å; K377-Y381 HydrophobicContact CG-CE1 4.2Å; K377-Y381 HydrophobicContact CG-CE2 3.92Å; K377-Y381 PolarHBondContact O-N 2.77Å
378L98.4Very high93.9Very high3 Ų363.6 Ų63.62%0.01633%0.333CS..Hα-helixtrans-63.6-36.1173.1-67.2-179.2000111.7L223 L236 F238 T256 V374 M375 Y381 L382L223-L378 HydrophobicContact CD1-CD2 3.75Å; L223-L378 HydrophobicContact CD1-CG 4.11Å; L236-L378 HydrophobicContact CB-CD2 4.3Å; L236-L378 HydrophobicContact CD2-CD2 4.13Å; F238-L378 HydrophobicContact CB-CD1 4.31Å; F238-L378 HydrophobicContact CD2-CD1 3.51Å; F238-L378 HydrophobicContact CE2-CD1 4.12Å; F238-L378 HydrophobicContact CG-CD1 4.2Å; T256-L378 HydrophobicContact CG2-CD1 4.05Å; V374-L378 HydrophobicContact CG1-CD1 4.17Å; V374-L378 HydrophobicContact CG1-CG 4.36Å; V374-L378 WeakPolarHBondContact O-CG 3.33Å; V374-L378 PolarHBondContact O-N 2.8Å; M375-L378 PolarHBondContact O-N 3.06Å; L378-Y381 HydrophobicContact CD2-CD2 4.09Å; L378-Y381 PolarHBondContact O-N 3.42Å; L378-L382 WeakPolarHBondContact O-CB 3.38Å; L378-L382 VanDerWaalsContact O-CG 3.31Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 3.48Å
379D97.5Very high91.4Very high68 Ų6863 Ų6336%0.36433%0.334SS..Hα-helixtrans-64.9-40.1174.1-158.645.4000112.1K259 M375 V376 K377 L382 S383K259-D379 WeakPolarHBondContact CD-OD1 3.06Å; K259-D379 IonicContact NZ-OD1 3.75Å; K259-D379 PolarHBondContact NZ-OD1 3.47Å; K259-D379 IonicContact NZ-OD2 3.81Å; K259-D379 PolarHBondContact NZ-OD2 2.89Å; M375-D379 WeakPolarHBondContact O-CB 3.43Å; M375-D379 PolarHBondContact O-N 3.04Å; V376-D379 WeakPolarHBondContact O-CB 3.3Å; V376-D379 PolarHBondContact O-N 2.94Å; K377-D379 VanDerWaalsContact C-N 3.29Å; K377-D379 PolarHBondContact O-N 3.36Å; D379-L382 PolarHBondContact O-N 2.89Å; D379-S383 PolarHBondContact O-N 3.01Å
380E98Very high89Confident85 Ų8559.1 Ų59.140%0.39734%0.337SS..Hα-helixtrans-58.8-48.4172.3-171.6-163.8135.400110.7V376 K377 L382 S383 H384V376-E380 PolarHBondContact O-N 3.15Å; K377-E380 HydrophobicContact CD-CB 4.45Å; K377-E380 VanDerWaalsContact CD-OE2 3.23Å; K377-E380 WeakPolarHBondContact CD-OE2 3.48Å; K377-E380 IonicContact NZ-OE1 2.84Å; K377-E380 PolarHBondContact NZ-OE1 3.25Å; K377-E380 IonicContact NZ-OE2 3.55Å; K377-E380 PolarHBondContact NZ-OE2 2.98Å; K377-E380 WeakPolarHBondContact O-CB 3.19Å; K377-E380 PolarHBondContact O-N 2.95Å; E380-L382 PolarHBondContact O-N 2.91Å; E380-S383 WeakPolarHBondContact O-CB 3.33Å; E380-S383 PolarHBondContact O-N 3.14Å; E380-S383 VanDerWaalsContact O-N 3.14Å; E380-S383 PolarHBondContact O-OG 3.35Å; E380-H384 PolarHBondContact O-CD2 3.18Å
381Y98.3Very high87Confident21 Ų2159.8 Ų59.88%0.08235%0.346CS..Hα-helixtrans-60.7-45.8176.5-62.9-24.8000112.8L223 I226 Y233 L236 K377 L378 S383 H384L223-Y381 HydrophobicContact CD1-CE2 4.14Å; L223-Y381 WeakPolarHBondContact O-CE2 3.5Å; L223-Y381 PolarHBondContact O-OH 3.41Å; I226-Y381 HydrophobicContact CG2-CD1 4.49Å; I226-Y381 HydrophobicContact CG2-CD2 3.78Å; I226-Y381 HydrophobicContact CG2-CE1 4.15Å; I226-Y381 HydrophobicContact CG2-CE2 3.39Å; I226-Y381 HydrophobicContact CG2-CG 4.32Å; Y233-Y381 AromaticContact CD1-CD1 3.87Å; Y233-Y381 HydrophobicContact CD1-CD1 3.87Å; Y233-Y381 HydrophobicContact CD1-CG 4.05Å; Y233-Y381 AromaticContact CE1-CD1 3.75Å; Y233-Y381 HydrophobicContact CE1-CD1 3.75Å; Y233-Y381 HydrophobicContact CE1-CE1 4.41Å; Y233-Y381 HydrophobicContact CE1-CG 4.4Å; L236-Y381 HydrophobicContact CD2-CD2 4.35Å; K377-Y381 HydrophobicContact CD-CE1 3.91Å; K377-Y381 VanDerWaalsContact CE-CE1 3.41Å; K377-Y381 VanDerWaalsContact CE-OH 3.28Å; K377-Y381 WeakPolarHBondContact CE-OH 3.37Å; K377-Y381 HydrophobicContact CG-CE1 4.2Å; K377-Y381 HydrophobicContact CG-CE2 3.92Å; K377-Y381 PolarHBondContact O-N 2.77Å; L378-Y381 HydrophobicContact CD2-CD2 4.09Å; L378-Y381 PolarHBondContact O-N 3.42Å; Y381-S383 PolarHBondContact O-N 3.18Å; Y381-H384 WeakPolarHBondContact O-CB 3.2Å; Y381-H384 PolarHBondContact O-N 3.14Å; Y381-H384 VanDerWaalsContact O-N 3.07Å
382L96.9Very high84.4Confident5 Ų564.6 Ų64.63%0.02638%0.377CS..Hα-helixtrans-61.4-28.3176.4-75.7169.3000112.7L236 K259 V260 R263 L378 D379 E380 H384 L385L236-L382 HydrophobicContact CD1-CD2 3.8Å; L236-L382 HydrophobicContact CD1-CG 4.15Å; K259-L382 HydrophobicContact CB-CD1 4Å; V260-L382 HydrophobicContact CG2-CD1 3.99Å; V260-L382 HydrophobicContact CG2-CD2 4.09Å; R263-L382 HydrophobicContact CB-CD2 4.38Å; R263-L382 WeakPolarHBondContact CG-O 3.34Å; R263-L382 PolarHBondContact NE-O 3.16Å; L378-L382 WeakPolarHBondContact O-CB 3.38Å; L378-L382 VanDerWaalsContact O-CG 3.31Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 3.48Å; D379-L382 PolarHBondContact O-N 2.89Å; E380-L382 PolarHBondContact O-N 2.91Å; L382-H384 VanDerWaalsContact C-N 3.25Å; L382-H384 PolarHBondContact O-N 3.02Å; L382-L385 HydrophobicContact CD2-CD1 3.75Å; L382-L385 PolarHBondContact O-N 3.26Å
383S95.7Very high82.1Confident72 Ų7265.7 Ų65.750%0.50339%0.386SS..Hα-helixtrans-67.1-26.917783.10000113R263 D379 E380 Y381 L385R263-S383 PolarHBondContact NH2-O 3.12Å; D379-S383 PolarHBondContact O-N 3.01Å; E380-S383 WeakPolarHBondContact O-CB 3.33Å; E380-S383 PolarHBondContact O-N 3.14Å; E380-S383 VanDerWaalsContact O-N 3.14Å; E380-S383 PolarHBondContact O-OG 3.35Å; Y381-S383 PolarHBondContact O-N 3.18Å; S383-L385 VanDerWaalsContact C-N 3.34Å
384H95.2Very high79.6Confident95 Ų9566.1 Ų66.144%0.4439%0.389SS..THydrogen-bonded Turntrans-76.1-16.8178.6-74-74.9000114.3Y233 E380 Y381 L382Y233-H384 HydrophobicContact CD1-CB 4.27Å; Y233-H384 HydrophobicContact CD2-CB 3.55Å; Y233-H384 HydrophobicContact CE1-CB 4.25Å; Y233-H384 AromaticContact CE1-CD2 3.72Å; Y233-H384 HydrophobicContact CE2-CB 3.54Å; Y233-H384 AromaticContact CE2-CG 3.77Å; Y233-H384 HydrophobicContact CG-CB 3.92Å; Y233-H384 AromaticContact CZ-CD2 3.64Å; Y233-H384 AromaticContact CZ-CG 3.66Å; E380-H384 PolarHBondContact O-CD2 3.18Å; Y381-H384 WeakPolarHBondContact O-CB 3.2Å; Y381-H384 PolarHBondContact O-N 3.14Å; Y381-H384 VanDerWaalsContact O-N 3.07Å; L382-H384 VanDerWaalsContact C-N 3.25Å; L382-H384 PolarHBondContact O-N 3.02Å
385L92.8Very high76.6Confident8 Ų871.5 Ų71.54%0.04242%0.423CS..SBendtrans-60138.5177.2-63.6177.8000110M206 Y234 R263 L382 S383M206-L385 HydrophobicContact CE-CD1 3.58Å; M206-L385 HydrophobicContact CE-CD2 4.06Å; M206-L385 HydrophobicContact CE-CG 4.47Å; Y234-L385 HydrophobicContact CD1-CD2 4.43Å; Y234-L385 HydrophobicContact CD2-CD2 3.98Å; Y234-L385 HydrophobicContact CE1-CD2 4.06Å; Y234-L385 HydrophobicContact CE2-CD2 3.55Å; Y234-L385 HydrophobicContact CG-CD2 4.38Å; R263-L385 HydrophobicContact CB-CD1 4.41Å; R263-L385 HydrophobicContact CG-CB 4.33Å; R263-L385 HydrophobicContact CG-CD1 3.93Å; R263-L385 PolarHBondContact NH1-O 3.24Å; R263-L385 PolarHBondContact NH2-O 2.97Å; L382-L385 HydrophobicContact CD2-CD1 3.75Å; L382-L385 PolarHBondContact O-N 3.26Å; S383-L385 VanDerWaalsContact C-N 3.34Å
386P84.8Confident73.8Confident67 Ų6774.8 Ų74.844%0.43545%0.445SS..  trans-57.5152.2173.825.6-33.3000110.3R263 S388 P389R263-P386 PolarHBondContact NH1-O 2.87Å; P386-S388 PolarHBondContact O-N 3.13Å; P386-P389 HydrophobicContact CB-CG 4.24Å
387C69.8Low70.9Confident112 Ų11280.3 Ų80.376%0.75747%0.468SS*.SBendtrans-63.1106.7165-76.70000106.8P389C387-P389 WeakPolarHBondContact O-CD 3.38Å
388S59.3Low68.2Low51 Ų5184.4 Ų84.436%0.35749%0.493SS..  trans-21.292.1-175.2-169.20000113.4Q265 P386Q265-S388 PolarHBondContact OE1-OG 2.93Å; Q265-S388 VanDerWaalsContact OE1-OG 3.05Å; P386-S388 PolarHBondContact O-N 3.13Å
389P46.9Very low65.4Low78 Ų7889.6 Ų89.651%0.50653%0.529SS..  trans-79.5143.9172.9412000108.4P386 C387 V391P386-P389 HydrophobicContact CB-CG 4.24Å; C387-P389 WeakPolarHBondContact O-CD 3.38Å; P389-V391 PolarHBondContact O-N 3.21Å
390G46.8Very low62.6Low80 Ų8095.3 Ų95.383%0.82555%0.554SS**  trans-58.2109.4172.400000109.7
391V55.9Low59.7Low59 Ų5999.9 Ų99.936%0.35858%0.575SS.*PPolyproline II helixtrans-73.3134.1176.6-171.90000108.1Q180 P389 I393Q180-V391 HydrophobicContact CG-CB 3.92Å; Q180-V391 HydrophobicContact CG-CG1 4.45Å; Q180-V391 HydrophobicContact CG-CG2 4.23Å; Q180-V391 VanDerWaalsContact NE2-CG1 3.27Å; P389-V391 PolarHBondContact O-N 3.21Å; V391-I393 PolarHBondContact O-N 2.9Å
392P44.3Very low56.8Low101 Ų101104.8 Ų104.866%0.65661%0.61SS**PPolyproline II helixtrans-60.3136.9176.9-21.332.1000111.7H394P392-H394 PolarHBondContact O-N 3.43Å
393I50.1Low53.9Low146 Ų146109 Ų10975%0.74965%0.645SS**PPolyproline II helixtrans-65.3116.9175.7-60.1167.3000108V391 T395V391-I393 PolarHBondContact O-N 2.9Å; I393-T395 HydrophobicContact CG2-CG2 4.16Å; I393-T395 PolarHBondContact O-N 3.35Å
394H46.2Very low51.1Low160 Ų160110.6 Ų110.674%0.74165%0.648SS**  trans-79.797.2160-83.3-73.1000107.5P392 T396P392-H394 PolarHBondContact O-N 3.43Å; H394-T396 PolarHBondContact O-N 2.91Å; H394-T396 VanDerWaalsContact O-N 3.13Å
395T36.6Very low48.5Very low117 Ų117112.1 Ų112.172%0.71867%0.667SS**  trans-63.3111.3164.534.10000107.5I393I393-T395 HydrophobicContact CG2-CG2 4.16Å; I393-T395 PolarHBondContact O-N 3.35Å
396T39.9Very low45.8Very low108 Ų108117.2 Ų117.266%0.66370%0.698SS**  trans-66.8136158.942.80000106.6H394 D398H394-T396 PolarHBondContact O-N 2.91Å; H394-T396 VanDerWaalsContact O-N 3.13Å; T396-D398 PolarHBondContact O-N 2.93Å
397M37.1Very low43.5Very low191 Ų191118 Ų11894%0.94171%0.71SS**  trans-48.3128.1-174.3-73.3177.1172.700110.5S399M397-S399 PolarHBondContact O-N 2.95Å; M397-S399 VanDerWaalsContact O-N 3.1Å
398D41.3Very low41.7Very low145 Ų145121.5 Ų121.578%0.77572%0.715SS**  trans-41113.5-174.7-65.8-45.1000111.9T396 Q400T396-D398 PolarHBondContact O-N 2.93Å; D398-Q400 PolarHBondContact O-N 3Å
399S41Very low40.3Very low112 Ų112128.3 Ų128.378%0.78374%0.739SS**  trans-55.8108.7151.646.30000106.9M397 E401M397-S399 PolarHBondContact O-N 2.95Å; M397-S399 VanDerWaalsContact O-N 3.1Å; S399-E401 PolarHBondContact O-N 3.46Å; S399-E401 VanDerWaalsContact O-N 3.12Å
400Q38.2Very low39.6Very low189 Ų189131.9 Ų131.988%0.88375%0.753SS**  trans-39.1115.6178.5-69.6175.6-36.300111D398D398-Q400 PolarHBondContact O-N 3Å
401E35.8Very low38.8Very low180 Ų180137.6 Ų137.684%0.84176%0.759SS**PPolyproline II helixtrans-58.2139.3164.5-78.8-172.5155.700108.8S399 A403S399-E401 PolarHBondContact O-N 3.46Å; S399-E401 VanDerWaalsContact O-N 3.12Å; E401-A403 PolarHBondContact O-N 3.21Å
402P38.6Very low37.5Very low125 Ų125143 Ų14381%0.81278%0.78SS**PPolyproline II helixtrans-65.6122.9-175.625.3-31.9000110D404P402-D404 PolarHBondContact O-N 2.92Å
403A36.7Very low36.8Very low93 Ų93146 Ų14677%0.76979%0.785SS**PPolyproline II helixtrans-57124.5179.900000111.3E401 P405E401-A403 PolarHBondContact O-N 3.21Å; A403-P405 WeakPolarHBondContact O-CD 3.41Å
404D36.4Very low35.8Very low106 Ų106145.9 Ų145.957%0.56779%0.786SS**PPolyproline II helixtrans-61.6118.1168.8-177-19000109.3P402 T406 A407P402-D404 PolarHBondContact O-N 2.92Å; D404-T406 PolarHBondContact O-N 3.08Å; D404-T406 PolarHBondContact OD1-N 2.76Å; D404-T406 PolarHBondContact OD1-OG1 3.36Å; D404-T406 PolarHBondContact OD2-OG1 3.4Å; D404-A407 PolarHBondContact O-N 2.74Å
405P40.3Very low35.3Very low127 Ų127149.2 Ų149.283%0.82579%0.792SS**THydrogen-bonded Turntrans-69.30.9-175.8-2.312.6000114.6A403A403-P405 WeakPolarHBondContact O-CD 3.41Å
406T35.9Very low35.2Very low114 Ų114152.5 Ų152.570%0.69980%0.799SS**THydrogen-bonded Turntrans-90.7-8.6177.858.20000114.6D404D404-T406 PolarHBondContact O-N 3.08Å; D404-T406 PolarHBondContact OD1-N 2.76Å; D404-T406 PolarHBondContact OD1-OG1 3.36Å; D404-T406 PolarHBondContact OD2-OG1 3.4Å
407A37.6Very low35Very low83 Ų83151.8 Ų151.869%0.68680%0.804SS**SBendtrans-952.2-172.100000116.2D404D404-A407 PolarHBondContact O-N 2.74Å
408Q31.5Very low34.8Very low186 Ų186150.3 Ų150.387%0.86980%0.8SS**  trans-129.264.8179.3-71.6-174.7-15.800112.1
409K29.7Very low34.7Very low195 Ų195151.3 Ų151.385%0.84880%0.8SS**SBendtrans-110.1-4.4163.6-90.3-172.5175.9-1780114.8
410D31.7Very low34.6Very low152 Ų152152.3 Ų152.381%0.81380%0.802SS**SBendtrans-125.976.3179.9-63.4-33000109.4
411E31.2Very low35.1Very low200 Ų200149.4 Ų149.494%0.93579%0.786SS**  trans-177.169.4152.1-100.1168-148.100108
412Q27.8Very low35.1Very low174 Ų174144.2 Ų144.281%0.81377%0.768SS**  trans-80.9145160.8-131173.716.600107.9
413E28.6Very low35.2Very low162 Ų162145.2 Ų145.276%0.75776%0.762SS**  trans78.888.4163.3-55.5178.4172.500116.3
414D30Very low36.3Very low145 Ų145149.2 Ų149.278%0.77576%0.758SS**  156.8106.2125.3-83.3-23.8000112.2
415R34.8Very low37Very low229 Ų229146.7 Ų146.786%0.86475%0.747SS**  159.8112.5123.1-84.3168.8-69.8-172.23.3113.4
416H35Very low37.2Very low187 Ų187147.8 Ų147.887%0.86673%0.734SS**  trans43.5119142.9-64.9-71.5000122.2D418H416-D418 PolarHBondContact O-N 3.45Å
417A35.9Very low37.6Very low93 Ų93147.8 Ų147.877%0.76973%0.73SS**  trans-63.3114.3161.400000111.9
418D33Very low37.9Very low160 Ų160148 Ų14886%0.85673%0.732SS**  trans174.570.6143.3-93.2-15000109.1H416H416-D418 PolarHBondContact O-N 3.45Å
419E39.4Very low38.2Very low166 Ų166147 Ų14778%0.77673%0.727SS**  trans-130.6120.1162.8-71.6-167.1172.200109.3F421E419-F421 WeakPolarHBondContact O-CD2 3.24Å; E419-F421 PolarHBondContact O-N 2.91Å
420T37.7Very low38.6Very low133 Ų133144 Ų14482%0.81672%0.719SS**  trans-84.2109.3-175-40.70000108.4
421F50.4Low38.8Very low128 Ų128145.3 Ų145.356%0.56172%0.72SS**  trans-73.5147.5-177.3-67.4-84.5000113.2E419 V425 R426E419-F421 WeakPolarHBondContact O-CD2 3.24Å; E419-F421 PolarHBondContact O-N 2.91Å; F421-V425 HydrophobicContact CB-CB 4.17Å; F421-V425 HydrophobicContact CB-CG1 4.3Å; F421-V425 HydrophobicContact CB-CG2 4.39Å; F421-R426 PolarHBondContact O-NH2 3.28Å
422P36Very low39.1Very low70 Ų70141.5 Ų141.546%0.45571%0.713SS.*  trans-63.2154.3175.6-18.330.4000113.5Y424 V425P422-Y424 HydrophobicContact CB-CD1 3.84Å; P422-Y424 HydrophobicContact CB-CE1 3.67Å; P422-Y424 HydrophobicContact CG-CE1 4.04Å; P422-Y424 PolarHBondContact O-N 3.3Å; P422-Y424 VanDerWaalsContact O-N 3.07Å; P422-V425 WeakPolarHBondContact O-CB 3.38Å; P422-V425 PolarHBondContact O-N 3.37Å
423E40.4Very low39.4Very low146 Ų146140.8 Ų140.868%0.68272%0.72SS**Hα-helixtrans-56.1-28.4-168.3-161.6171.4-166.200115.2V425 R426E423-V425 VanDerWaalsContact C-N 3.29Å; E423-V425 PolarHBondContact O-N 3.11Å; E423-R426 PolarHBondContact O-N 3.2Å
424Y58.1Low39.5Very low177 Ų177135.6 Ų135.669%0.69471%0.71SS**Hα-helixtrans-70-23.4177.774.2-91.6000113.4P422P422-Y424 HydrophobicContact CB-CD1 3.84Å; P422-Y424 HydrophobicContact CB-CE1 3.67Å; P422-Y424 HydrophobicContact CG-CE1 4.04Å; P422-Y424 PolarHBondContact O-N 3.3Å; P422-Y424 VanDerWaalsContact O-N 3.07Å
425V52.3Low39.7Very low53 Ų53136.5 Ų136.532%0.32171%0.71SS.*Hα-helixtrans-74.9-34.4175.7-177.10000110.6F421 P422 E423 N427 A428F421-V425 HydrophobicContact CB-CB 4.17Å; F421-V425 HydrophobicContact CB-CG1 4.3Å; F421-V425 HydrophobicContact CB-CG2 4.39Å; P422-V425 WeakPolarHBondContact O-CB 3.38Å; P422-V425 PolarHBondContact O-N 3.37Å; E423-V425 VanDerWaalsContact C-N 3.29Å; E423-V425 PolarHBondContact O-N 3.11Å; V425-N427 VanDerWaalsContact C-N 3.31Å; V425-N427 PolarHBondContact O-N 3.32Å; V425-A428 PolarHBondContact O-N 3.08Å
426R44Very low39.5Very low150 Ų150135 Ų13557%0.56671%0.71SS**Hα-helixtrans-70-26.8179.1-63.1-176.3-145.81588.5113.4F421 E423 A428F421-R426 PolarHBondContact O-NH2 3.28Å; E423-R426 PolarHBondContact O-N 3.2Å; R426-A428 PolarHBondContact O-N 3.03Å
427N45.2Very low39.5Very low115 Ų115135.5 Ų135.562%0.61571%0.705SS**THydrogen-bonded Turntrans-79.3-6.1179.4-71.5-20.9000113.3V425V425-N427 VanDerWaalsContact C-N 3.31Å; V425-N427 PolarHBondContact O-N 3.32Å
428A43.9Very low39.3Very low87 Ų87140.7 Ų140.772%0.71971%0.714SS**THydrogen-bonded Turntrans-85.9-7.5175.600000113.6V425 R426V425-A428 PolarHBondContact O-N 3.08Å; R426-A428 PolarHBondContact O-N 3.03Å
429E36.8Very low39Very low165 Ų165138.8 Ų138.877%0.77171%0.708SS**  trans-111.220.9-176-67.6-172.916600114E431E429-E431 VanDerWaalsContact C-N 3.33Å; E429-E431 PolarHBondContact O-N 2.95Å
430I38.5Very low38.4Very low133 Ų133138.9 Ų138.968%0.68271%0.708SS**  trans-81.487.8169.2-55.8177.2000108.1P432I430-P432 WeakPolarHBondContact O-CD 3.48Å
431E35.8Very low37.9Very low179 Ų179140.2 Ų140.284%0.83671%0.711SS**  trans-61.4123.3166.1-81.2-171.6160.300109.9E429E429-E431 VanDerWaalsContact C-N 3.33Å; E429-E431 PolarHBondContact O-N 2.95Å
432P38.2Very low37Very low120 Ų120142.3 Ų142.378%0.77973%0.728SS**  trans-70.9131.7177.426.1-30.5000111.1I430 G434I430-P432 WeakPolarHBondContact O-CD 3.48Å; P432-G434 PolarHBondContact O-N 3.29Å
433V34.4Very low36.5Very low158 Ų158145.2 Ų145.296%0.95874%0.74SS**SBendtrans-65.6101.3179.2-175.70000109.9
434G30.6Very low35.9Very low53 Ų53147.7 Ų147.755%0.54675%0.748SS.*  trans131.938.314800000120.6P432P432-G434 PolarHBondContact O-N 3.29Å
435E33.8Very low34.4Very low165 Ų165142.5 Ų142.577%0.77175%0.748SS**  trans-117.5103.6160.6-70.9-166.7172.900111.5Y437E435-Y437 HydrophobicContact CB-CE2 4.37Å; E435-Y437 PolarHBondContact O-N 3.36Å
436F30.4Very low33.2Very low198 Ų198149.1 Ų149.187%0.86878%0.776SS**  trans-67.4118.5176.1-73.8-103.4000110.1
437Y35.2Very low32.2Very low197 Ų197146.8 Ų146.877%0.77378%0.783SS**  trans-120.3119156.8-68.5-75.7000108.6E435 T439E435-Y437 HydrophobicContact CB-CE2 4.37Å; E435-Y437 PolarHBondContact O-N 3.36Å; Y437-T439 PolarHBondContact O-N 2.73Å
438E32.2Very low31.4Very low201 Ų201149.6 Ų149.694%0.93979%0.789SS**  trans-60126.4-175.8-68.6178.5158.700111.2
439T26.7Very low30.7Very low121 Ų121153.3 Ų153.374%0.74279%0.791SS**  trans-78.8146.6178.525.40000112.6Y437Y437-T439 PolarHBondContact O-N 2.73Å
440E26.7Very low30.2Very low167 Ų167149.4 Ų149.478%0.7879%0.788SS**  trans75100.4143-69.3179.1175.100119.3D442E440-D442 PolarHBondContact O-N 2.92Å
441N26.4Very low29.9Very low162 Ų162152.5 Ų152.587%0.86680%0.799SS**  21.383.8110-79.4-18.7000116.4
442D31.9Very low29.4Very low171 Ų171149.1 Ų149.191%0.91480%0.795SS**  trans-92100.4152-93.6-27.4000111.1E440E440-D442 PolarHBondContact O-N 2.92Å
443N25.7Very low28.9Very low132 Ų132151.5 Ų151.571%0.70680%0.796SS**  trans-39.4150.8160.7-120.5-27.5000116.2
444K27.5Very low28.6Very low197 Ų197150.4 Ų150.486%0.85778%0.783SS**  trans74.9125.8158.2-54.4168-173.8178.60114.5
445G25.2Very low29.2Very low68 Ų68158 Ų15870%0.70182%0.819SS**  cis133.6155.441.500000106.8
446E28.3Very low29Very low193 Ų193157.7 Ų157.790%0.90282%0.821SS**  trans83.9104.6178.3-53.2-175.1161.900115.4
447S23.5Very low28.9Very low101 Ų101155.5 Ų155.571%0.70682%0.818SS**  52.792.765.21610000114.6
448K27.5Very low28.6Very low173 Ų173153.2 Ų153.275%0.75282%0.821SS**  162.1143.3117.8-95.2169.6-174.4-177.10114.3
449H28.2Very low28.3Very low165 Ų165150.4 Ų150.476%0.76481%0.814SS**  trans60.4110.7151.5-67.8-61.1000118.2
450A27.5Very low28.4Very low84 Ų84152.3 Ų152.369%0.69482%0.818SS**  67103.279.800000112.2
451E31.5Very low28.6Very low198 Ų198151.3 Ų151.393%0.92582%0.821SS**  trans-171.9107.5134.1-104.2166.9-161.300109.6
452S25.8Very low28.7Very low108 Ų108150.5 Ų150.576%0.75582%0.818SS**  trans-69.1132.7144.850.20000108.3
453E28.4Very low28.5Very low169 Ų169148.9 Ų148.979%0.7981%0.81SS**  trans173.7127.2134.3-94.9-174172.600112.5
454I28.1Very low28.7Very low136 Ų136150.3 Ų150.370%0.69782%0.819SS**  61.5113.5129.4-52.7164.9000118.6
455V42.7Very low28.8Very low212 Ų212146.1 Ų146.1100%1.28582%0.816SS**  -153083.5171.10000109.1

Retrieved 455 of 455 residues in 305.1 ms (Link to these results)

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