A0A077Z2A5_TRITR Loading...

F-box-like domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2A5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 423 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
1M45.2Very low69.9Low244 Ų244119.7 Ų119.7100%1.20264%0.639SS**  0980-66.9-176.3-144.700106.5G3M1-G3 PolarHBondContact O-N 3.16Å
2E43.9Very low71.5Confident196 Ų196116.9 Ų116.992%0.91663%0.633SS**  trans-68.1100.4172.3-72.4177.3165.600107.4V4E2-V4 PolarHBondContact O-N 3.35Å
3G52.1Low72.9Confident63 Ų63114.8 Ų114.865%0.64962%0.62SS**  trans-70.1108.9173.800000108M1 T5M1-G3 PolarHBondContact O-N 3.16Å; G3-T5 PolarHBondContact O-N 3.21Å
4V60.8Low74.2Confident113 Ų113113.5 Ų113.569%0.68562%0.618SS**  trans-57.6102.3167.71790000107.1E2 H6E2-V4 PolarHBondContact O-N 3.35Å; V4-H6 PolarHBondContact O-N 3.34Å
5T66.2Low75.5Confident135 Ų135109.5 Ų109.583%0.82860%0.599SS**  trans-72.498.6171.851.30000107G3 D7G3-T5 PolarHBondContact O-N 3.21Å; T5-D7 PolarHBondContact O-N 2.87Å
6H76.2Confident76.5Confident137 Ų137102.9 Ų102.963%0.63456%0.563SS**  trans-65.4114.1173.4-66.9-61000109.3V4 Y8V4-H6 PolarHBondContact O-N 3.34Å; H6-Y8 HydrophobicContact CB-CE2 4.42Å; H6-Y8 WeakPolarHBondContact O-CD2 3.26Å; H6-Y8 PolarHBondContact O-N 2.93Å
7D83.7Confident77.5Confident97 Ų9798.3 Ų98.352%0.51954%0.538SS..  trans-76.4103.2172-170.7-1.8000109.8T5 S9 D10T5-D7 PolarHBondContact O-N 2.87Å; D7-S9 PolarHBondContact O-N 2.75Å; D7-S9 WeakPolarHBondContact OD1-CA 3.31Å; D7-S9 WeakPolarHBondContact OD1-CB 3.29Å; D7-S9 PolarHBondContact OD1-N 2.99Å; D7-S9 PolarHBondContact OD1-OG 2.78Å; D7-D10 PolarHBondContact O-N 2.73Å
8Y85Confident78.3Confident143 Ų14397.3 Ų97.356%0.56153%0.532SS*.G310 helixtrans-68.5-10.1175.9-67.7-83.2000113.1H6 D10 M11H6-Y8 HydrophobicContact CB-CE2 4.42Å; H6-Y8 WeakPolarHBondContact O-CD2 3.26Å; H6-Y8 PolarHBondContact O-N 2.93Å; Y8-D10 PolarHBondContact O-N 3.2Å; Y8-M11 HydrophobicContact CD1-CE 3.7Å; Y8-M11 HydrophobicContact CE1-CE 4.19Å; Y8-M11 WeakPolarHBondContact O-CB 3.49Å; Y8-M11 PolarHBondContact O-N 3.35Å
9S83.4Confident79Confident30 Ų3096.6 Ų96.621%0.2153%0.527CS..G310 helixtrans-65.3-28.8174.9-50.80000112D7 R37D7-S9 PolarHBondContact O-N 2.75Å; D7-S9 WeakPolarHBondContact OD1-CA 3.31Å; D7-S9 WeakPolarHBondContact OD1-CB 3.29Å; D7-S9 PolarHBondContact OD1-N 2.99Å; D7-S9 PolarHBondContact OD1-OG 2.78Å; S9-R37 WeakPolarHBondContact O-CD 3.27Å; S9-R37 PolarHBondContact O-NE 2.77Å; S9-R37 VanDerWaalsContact O-NE 3.1Å
10D84.5Confident79.8Confident110 Ų11092.1 Ų92.159%0.58850%0.502SS*.G310 helixtrans-89.7-2.2-177.8-72.5-31.4000114.3D7 Y8 R37D7-D10 PolarHBondContact O-N 2.73Å; Y8-D10 PolarHBondContact O-N 3.2Å; D10-R37 PolarHBondContact O-NH2 3.3Å
11M87.8Confident80.4Confident49 Ų4991.9 Ų91.924%0.24150%0.496CS..SBendtrans-54.6139.3177.7-173.9176.6-74.100111.3Y8 P15 L16 I19 R37Y8-M11 HydrophobicContact CD1-CE 3.7Å; Y8-M11 HydrophobicContact CE1-CE 4.19Å; Y8-M11 WeakPolarHBondContact O-CB 3.49Å; Y8-M11 PolarHBondContact O-N 3.35Å; M11-P15 HydrophobicContact CG-CB 3.84Å; M11-P15 HydrophobicContact CG-CG 4.44Å; M11-P15 HydrophobicContact SD-CB 3.67Å; M11-L16 HydrophobicContact CB-CD1 4.3Å; M11-L16 HydrophobicContact CB-CD2 4.02Å; M11-L16 HydrophobicContact CB-CG 3.94Å; M11-L16 HydrophobicContact CG-CD2 4.32Å; M11-L16 HydrophobicContact CG-CG 4.13Å; M11-L16 WeakPolarHBondContact O-CD1 3.42Å; M11-L16 HydrophobicContact SD-CD2 3.98Å; M11-L16 HydrophobicContact SD-CG 4.26Å; M11-I19 HydrophobicContact SD-CD1 3.76Å; M11-R37 PolarHBondContact O-NH2 2.98Å
12P89.9Confident82.7Confident86 Ų8689.1 Ų89.156%0.55847%0.473SS*.  trans-56.4151179.1-2533.9000112.6V14 P15 L16P12-V14 VanDerWaalsContact C-N 3.32Å; P12-V14 PolarHBondContact O-N 3.31Å; P12-P15 HydrophobicContact CB-CG 4.2Å; P12-P15 VanDerWaalsContact O-CD 3.24Å; P12-P15 WeakPolarHBondContact O-CD 3.48Å; P12-L16 PolarHBondContact O-N 2.99Å
13L88.9Confident85.1Confident90 Ų9081.9 Ų81.947%0.47144%0.441SS..Hα-helixtrans-57.1-42.2-173.5178.961.6000113.1L16 L17 V41L13-L16 PolarHBondContact O-N 3.38Å; L13-L17 HydrophobicContact CD1-CD1 4.2Å; L13-L17 HydrophobicContact CD1-CG 4.08Å; L13-L17 HydrophobicContact CG-CD1 3.92Å; L13-L17 HydrophobicContact CG-CG 4.26Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.21Å; L13-V41 HydrophobicContact CD1-CB 4.12Å; L13-V41 HydrophobicContact CD1-CG1 3.93Å; L13-V41 HydrophobicContact CD1-CG2 3.42Å; L13-V41 VanDerWaalsContact CD1-CG2 3.42Å
14V91.9Very high87Confident96 Ų9681.6 Ų81.658%0.58242%0.424SS*.Hα-helixtrans-63.7-50-176174.10000112.3P12 L16 L17 N18P12-V14 VanDerWaalsContact C-N 3.32Å; P12-V14 PolarHBondContact O-N 3.31Å; V14-L16 PolarHBondContact O-N 2.93Å; V14-L17 PolarHBondContact O-N 3.03Å; V14-N18 VanDerWaalsContact O-CG 3.31Å; V14-N18 PolarHBondContact O-N 3.34Å; V14-N18 PolarHBondContact O-ND2 3.5Å
15P92.6Very high88.5Confident53 Ų5376.5 Ų76.534%0.34439%0.393SS..Hα-helixtrans-53.3-47.2169.1-28.932.3000114.2M11 P12 L17 N18 I19M11-P15 HydrophobicContact CG-CB 3.84Å; M11-P15 HydrophobicContact CG-CG 4.44Å; M11-P15 HydrophobicContact SD-CB 3.67Å; P12-P15 HydrophobicContact CB-CG 4.2Å; P12-P15 VanDerWaalsContact O-CD 3.24Å; P12-P15 WeakPolarHBondContact O-CD 3.48Å; P15-L17 PolarHBondContact O-N 2.87Å; P15-N18 PolarHBondContact O-N 3.29Å; P15-N18 VanDerWaalsContact O-N 3.16Å; P15-I19 VanDerWaalsContact O-CG1 3.32Å; P15-I19 WeakPolarHBondContact O-CG1 3.47Å; P15-I19 PolarHBondContact O-N 3.26Å
16L92.8Very high89.7Confident4 Ų471.6 Ų71.62%0.02136%0.362CS..Hα-helixtrans-60.8-46.2179.4-72.9175.5000111.8M11 P12 L13 V14 N18 I19 F20 V41M11-L16 HydrophobicContact CB-CD1 4.3Å; M11-L16 HydrophobicContact CB-CD2 4.02Å; M11-L16 HydrophobicContact CB-CG 3.94Å; M11-L16 HydrophobicContact CG-CD2 4.32Å; M11-L16 HydrophobicContact CG-CG 4.13Å; M11-L16 WeakPolarHBondContact O-CD1 3.42Å; M11-L16 HydrophobicContact SD-CD2 3.98Å; M11-L16 HydrophobicContact SD-CG 4.26Å; P12-L16 PolarHBondContact O-N 2.99Å; L13-L16 PolarHBondContact O-N 3.38Å; V14-L16 PolarHBondContact O-N 2.93Å; L16-N18 VanDerWaalsContact C-N 3.28Å; L16-N18 PolarHBondContact O-N 3.06Å; L16-I19 PolarHBondContact O-N 2.88Å; L16-F20 HydrophobicContact CB-CE2 4.3Å; L16-F20 HydrophobicContact CD2-CE1 4.35Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 HydrophobicContact CD2-CZ 3.93Å; L16-F20 VanDerWaalsContact O-CB 3.27Å; L16-F20 WeakPolarHBondContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CG 3.24Å; L16-F20 PolarHBondContact O-N 3.2Å; L16-V41 HydrophobicContact CB-CG1 4.1Å; L16-V41 HydrophobicContact CB-CG2 4.3Å; L16-V41 HydrophobicContact CD1-CG2 4Å
17L92.6Very high90.5Very high25 Ų2566.9 Ų66.913%0.13134%0.344CS..Hα-helixtrans-57.1-42.9174.7-74.5171.9000111.7L13 V14 P15 F20 K21 V41 I47L13-L17 HydrophobicContact CD1-CD1 4.2Å; L13-L17 HydrophobicContact CD1-CG 4.08Å; L13-L17 HydrophobicContact CG-CD1 3.92Å; L13-L17 HydrophobicContact CG-CG 4.26Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.21Å; V14-L17 PolarHBondContact O-N 3.03Å; P15-L17 PolarHBondContact O-N 2.87Å; L17-F20 PolarHBondContact O-N 3.49Å; L17-K21 VanDerWaalsContact O-CG 3.23Å; L17-K21 WeakPolarHBondContact O-CG 3.2Å; L17-K21 PolarHBondContact O-N 3.29Å; L17-K21 VanDerWaalsContact O-N 3.12Å; L17-V41 HydrophobicContact CD2-CG1 3.57Å; L17-V41 HydrophobicContact CG-CG1 3.88Å; L17-I47 HydrophobicContact CD2-CD1 3.79Å; L17-I47 HydrophobicContact CD2-CG1 3.9Å
18N91.3Very high91Very high81 Ų8163 Ų6343%0.43332%0.322SS..Hα-helixtrans-67.5-38.1-179.7-72.9-22.3000112.2V14 P15 L16 Y22V14-N18 VanDerWaalsContact O-CG 3.31Å; V14-N18 PolarHBondContact O-N 3.34Å; V14-N18 PolarHBondContact O-ND2 3.5Å; P15-N18 PolarHBondContact O-N 3.29Å; P15-N18 VanDerWaalsContact O-N 3.16Å; L16-N18 VanDerWaalsContact C-N 3.28Å; L16-N18 PolarHBondContact O-N 3.06Å; N18-Y22 WeakPolarHBondContact O-CD2 3.41Å; N18-Y22 WeakPolarHBondContact O-CE2 3.43Å
19I93Very high91.3Very high84 Ų8456.5 Ų56.543%0.43130%0.298SS..Hα-helixtrans-67.3-49.7174.9-65.5163.4000109.9M11 P15 L16 K21 Y22M11-I19 HydrophobicContact SD-CD1 3.76Å; P15-I19 VanDerWaalsContact O-CG1 3.32Å; P15-I19 WeakPolarHBondContact O-CG1 3.47Å; P15-I19 PolarHBondContact O-N 3.26Å; L16-I19 PolarHBondContact O-N 2.88Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 2.96Å; I19-Y22 PolarHBondContact O-N 2.7Å; I19-Y22 VanDerWaalsContact O-N 3.13Å
20F94.7Very high91.7Very high6 Ų658.9 Ų58.93%0.02631%0.308CS..Hα-helixtrans-67.1-26.1-172.6-70.5-6.1000114.2L16 L17 Y22 L23 T31 W38 V41 M42 I47L16-F20 HydrophobicContact CB-CE2 4.3Å; L16-F20 HydrophobicContact CD2-CE1 4.35Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 HydrophobicContact CD2-CZ 3.93Å; L16-F20 VanDerWaalsContact O-CB 3.27Å; L16-F20 WeakPolarHBondContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CG 3.24Å; L16-F20 PolarHBondContact O-N 3.2Å; L17-F20 PolarHBondContact O-N 3.49Å; F20-Y22 PolarHBondContact O-N 3.43Å; F20-L23 HydrophobicContact CB-CD1 4.44Å; F20-L23 HydrophobicContact CD1-CD1 3.84Å; F20-L23 HydrophobicContact CG-CD1 4.37Å; F20-L23 WeakPolarHBondContact O-CB 3.32Å; F20-L23 PolarHBondContact O-N 2.88Å; F20-L23 VanDerWaalsContact O-N 3.13Å; F20-T31 HydrophobicContact CD1-CG2 4.05Å; F20-T31 HydrophobicContact CD2-CG2 4.3Å; F20-T31 HydrophobicContact CE1-CG2 3.62Å; F20-T31 HydrophobicContact CE2-CG2 3.9Å; F20-T31 HydrophobicContact CG-CG2 4.39Å; F20-T31 HydrophobicContact CZ-CG2 3.55Å; F20-W38 HydrophobicContact CE1-CD2 4.38Å; F20-W38 HydrophobicContact CE1-CE3 4.27Å; F20-W38 HydrophobicContact CE1-CZ3 4.36Å; F20-W38 HydrophobicContact CE2-CB 4.23Å; F20-W38 HydrophobicContact CE2-CD2 4.42Å; F20-W38 HydrophobicContact CE2-CG 4.2Å; F20-W38 HydrophobicContact CZ-CB 4.21Å; F20-W38 AromaticContact CZ-CD2 3.57Å; F20-W38 HydrophobicContact CZ-CD2 3.57Å; F20-W38 AromaticContact CZ-CE2 3.93Å; F20-W38 AromaticContact CZ-CE3 3.8Å; F20-W38 HydrophobicContact CZ-CE3 3.8Å; F20-W38 AromaticContact CZ-CG 3.77Å; F20-W38 HydrophobicContact CZ-CG 3.77Å; F20-W38 HydrophobicContact CZ-CZ2 4.46Å; F20-W38 HydrophobicContact CZ-CZ3 4.31Å; F20-V41 HydrophobicContact CD2-CB 4.13Å; F20-V41 HydrophobicContact CD2-CG1 3.63Å; F20-V41 HydrophobicContact CE2-CB 4.01Å; F20-V41 HydrophobicContact CE2-CG1 3.93Å; F20-M42 HydrophobicContact CB-CE 3.48Å; F20-M42 VanDerWaalsContact CB-CE 3.48Å; F20-M42 HydrophobicContact CB-SD 4.4Å; F20-M42 HydrophobicContact CD1-CE 4.03Å; F20-M42 HydrophobicContact CD2-CE 3.56Å; F20-M42 HydrophobicContact CD2-CG 4.24Å; F20-M42 HydrophobicContact CD2-SD 4.29Å; F20-M42 HydrophobicContact CE2-CE 4.28Å; F20-M42 HydrophobicContact CG-CE 3.42Å; F20-M42 VanDerWaalsContact CG-CE 3.42Å; F20-I47 HydrophobicContact CB-CD1 3.82Å; F20-I47 HydrophobicContact CB-CG1 4.41Å; F20-I47 HydrophobicContact CD2-CD1 4.22Å
21K92.6Very high92.2Very high87 Ų8754.4 Ų54.438%0.37829%0.285SS..THydrogen-bonded Turntrans-57.9-29.7172.8-81168.6-177.5173.30113.4L17 I19 L23 R28 S46 I47L17-K21 VanDerWaalsContact O-CG 3.23Å; L17-K21 WeakPolarHBondContact O-CG 3.2Å; L17-K21 PolarHBondContact O-N 3.29Å; L17-K21 VanDerWaalsContact O-N 3.12Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 2.96Å; K21-L23 VanDerWaalsContact C-N 3.34Å; K21-R28 PolarHBondContact O-NH2 3.31Å; K21-S46 WeakPolarHBondContact CE-O 3.26Å; K21-I47 HydrophobicContact CG-CG1 4.44Å
22Y92.3Very high92.4Very high187 Ų18753.5 Ų53.573%0.73328%0.28SS*.THydrogen-bonded Turntrans-83.2-6.9-179.9-65-73.8000114.2N18 I19 F20N18-Y22 WeakPolarHBondContact O-CD2 3.41Å; N18-Y22 WeakPolarHBondContact O-CE2 3.43Å; I19-Y22 PolarHBondContact O-N 2.7Å; I19-Y22 VanDerWaalsContact O-N 3.13Å; F20-Y22 PolarHBondContact O-N 3.43Å
23L94.1Very high92.6Very high44 Ų4452.9 Ų52.923%0.2328%0.283CS..SBendtrans-76141.1179.1-61.8-178.5000111.2F20 K21 R28 T31 M42F20-L23 HydrophobicContact CB-CD1 4.44Å; F20-L23 HydrophobicContact CD1-CD1 3.84Å; F20-L23 HydrophobicContact CG-CD1 4.37Å; F20-L23 WeakPolarHBondContact O-CB 3.32Å; F20-L23 PolarHBondContact O-N 2.88Å; F20-L23 VanDerWaalsContact O-N 3.13Å; K21-L23 VanDerWaalsContact C-N 3.34Å; L23-R28 HydrophobicContact CB-CG 3.79Å; L23-R28 PolarHBondContact O-NE 3.31Å; L23-R28 PolarHBondContact O-NH2 3.45Å; L23-T31 HydrophobicContact CD1-CG2 4.16Å; L23-T31 VanDerWaalsContact CD1-OG1 3.3Å; L23-T31 WeakPolarHBondContact CD1-OG1 3.49Å; L23-M42 HydrophobicContact CD1-CE 3.7Å
24D92.4Very high92.8Very high57 Ų5752.6 Ų52.631%0.30529%0.285SS..  trans-70.3166.2169.773.610.1000111.4N26 S27 R28 K58D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 3.4Å; D24-N26 PolarHBondContact OD1-N 2.91Å; D24-S27 PolarHBondContact O-N 3.47Å; D24-S27 VanDerWaalsContact O-N 3.09Å; D24-S27 WeakPolarHBondContact OD1-CB 3.36Å; D24-S27 PolarHBondContact OD1-N 3.2Å; D24-S27 PolarHBondContact OD1-OG 3.12Å; D24-R28 WeakPolarHBondContact O-CG 3.07Å; D24-R28 PolarHBondContact O-N 3.47Å; D24-K58 IonicContact OD2-NZ 3.47Å
25L92.5Very high92.9Very high5 Ų549.8 Ų49.83%0.02627%0.269CS..Hα-helixtrans-56-40.7-175.5-68.8179.2000112.7R28 C29 W48 A51 T52 Y53 W59 I69L25-R28 PolarHBondContact O-N 2.95Å; L25-C29 PolarHBondContact O-N 3.49Å; L25-C29 PolarHBondContact O-SG 3.15Å; L25-W48 HydrophobicContact CD2-CE3 4.2Å; L25-W48 HydrophobicContact CD2-CZ3 3.76Å; L25-A51 HydrophobicContact CD2-CB 4.18Å; L25-T52 VanDerWaalsContact CD1-O 3.26Å; L25-T52 WeakPolarHBondContact CD1-O 3.46Å; L25-Y53 HydrophobicContact CD1-CD1 3.66Å; L25-Y53 HydrophobicContact CD1-CD2 4.28Å; L25-Y53 HydrophobicContact CD1-CE1 3.82Å; L25-Y53 HydrophobicContact CD1-CE2 4.43Å; L25-Y53 HydrophobicContact CD1-CG 3.91Å; L25-W59 HydrophobicContact CB-CH2 4.31Å; L25-I69 HydrophobicContact CD1-CG2 4.38Å; L25-I69 HydrophobicContact CD2-CG2 4.24Å
26N91.1Very high92.9Very high32 Ų3258.4 Ų58.417%0.17129%0.294CS..Hα-helixtrans-64.5-45.3177.6-176.775.1000111.6D24 R28 C29 N30 W59D24-N26 VanDerWaalsContact C-N 3.26Å; D24-N26 PolarHBondContact O-N 3.4Å; D24-N26 PolarHBondContact OD1-N 2.91Å; N26-R28 VanDerWaalsContact C-N 3.35Å; N26-C29 PolarHBondContact O-N 3.36Å; N26-N30 PolarHBondContact O-N 3.01Å; N26-W59 HydrophobicContact CB-CH2 4.15Å; N26-W59 HydrophobicContact CB-CZ2 3.66Å; N26-W59 PolarHBondContact OD1-NE1 3.28Å
27S93.4Very high92.9Very high39 Ų3962.9 Ų62.927%0.27331%0.311SS..Hα-helixtrans-65.9-37.9178.1-55.30000111.3D24 C29 N30 T31D24-S27 PolarHBondContact O-N 3.47Å; D24-S27 VanDerWaalsContact O-N 3.09Å; D24-S27 WeakPolarHBondContact OD1-CB 3.36Å; D24-S27 PolarHBondContact OD1-N 3.2Å; D24-S27 PolarHBondContact OD1-OG 3.12Å; S27-C29 PolarHBondContact O-N 2.91Å; S27-N30 PolarHBondContact O-N 2.96Å; S27-T31 WeakPolarHBondContact O-CB 3.44Å; S27-T31 PolarHBondContact O-N 2.71Å; S27-T31 PolarHBondContact O-OG1 3.46Å
28R94.2Very high93.1Very high14 Ų1464 Ų645%0.05331%0.314CS..Hα-helixtrans-59.6-45.9172.8-68.7174-1701730.7111.6K21 L23 D24 L25 N26 N30 T31 M32 M42 I47 W48 E50K21-R28 PolarHBondContact O-NH2 3.31Å; L23-R28 HydrophobicContact CB-CG 3.79Å; L23-R28 PolarHBondContact O-NE 3.31Å; L23-R28 PolarHBondContact O-NH2 3.45Å; D24-R28 WeakPolarHBondContact O-CG 3.07Å; D24-R28 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 2.95Å; N26-R28 VanDerWaalsContact C-N 3.35Å; R28-N30 VanDerWaalsContact C-N 3.34Å; R28-N30 PolarHBondContact O-N 2.98Å; R28-T31 PolarHBondContact O-N 3.4Å; R28-M32 WeakPolarHBondContact O-CG 3.41Å; R28-M32 PolarHBondContact O-N 3.47Å; R28-M42 HydrophobicContact CB-CE 4.15Å; R28-M42 HydrophobicContact CB-SD 4.04Å; R28-M42 HydrophobicContact CG-CE 4.01Å; R28-M42 HydrophobicContact CG-SD 4.14Å; R28-I47 HydrophobicContact CG-CG2 4.48Å; R28-I47 VanDerWaalsContact CZ-O 3.25Å; R28-I47 PolarHBondContact NH1-O 3.46Å; R28-I47 VanDerWaalsContact NH1-O 3.15Å; R28-I47 PolarHBondContact NH2-O 2.91Å; R28-W48 HydrophobicContact CB-CH2 4.02Å; R28-W48 HydrophobicContact CB-CZ2 4.36Å; R28-E50 PolarHBondContact NH1-O 2.9Å; R28-E50 PolarHBondContact NH2-O 3.25Å; R28-E50 VanDerWaalsContact NH2-O 3.13Å
29C91.3Very high93.2Very high7 Ų765.9 Ų65.95%0.04732%0.315CS..Hα-helixtrans-60.5-42.8176.7-64.50000112.3L25 N26 S27 M32 W412L25-C29 PolarHBondContact O-N 3.49Å; L25-C29 PolarHBondContact O-SG 3.15Å; N26-C29 PolarHBondContact O-N 3.36Å; S27-C29 PolarHBondContact O-N 2.91Å; C29-M32 HydrophobicContact CB-CE 4.3Å; C29-M32 WeakPolarHBondContact O-CB 3.47Å; C29-M32 PolarHBondContact O-N 3.3Å; C29-W412 HydrophobicContact CB-CH2 4.36Å; C29-W412 HydrophobicContact CB-CZ2 4.19Å
30N92.5Very high93.3Very high80 Ų8065.4 Ų65.443%0.42832%0.319SS..Hα-helixtrans-66.4-41.9176.2-68.4-13.4000112N26 S27 R28 M32 A33N26-N30 PolarHBondContact O-N 3.01Å; S27-N30 PolarHBondContact O-N 2.96Å; R28-N30 VanDerWaalsContact C-N 3.34Å; R28-N30 PolarHBondContact O-N 2.98Å; N30-M32 VanDerWaalsContact C-N 3.27Å; N30-M32 PolarHBondContact O-N 2.93Å; N30-A33 WeakPolarHBondContact O-CB 3.48Å; N30-A33 PolarHBondContact O-N 3.22Å
31T93.8Very high93.2Very high16 Ų1665.2 Ų65.210%0.09832%0.318CS..Hα-helixtrans-62.4-33.2177.7-63.10000112.2F20 L23 S27 R28 A33 V34 W38 M42F20-T31 HydrophobicContact CD1-CG2 4.05Å; F20-T31 HydrophobicContact CD2-CG2 4.3Å; F20-T31 HydrophobicContact CE1-CG2 3.62Å; F20-T31 HydrophobicContact CE2-CG2 3.9Å; F20-T31 HydrophobicContact CG-CG2 4.39Å; F20-T31 HydrophobicContact CZ-CG2 3.55Å; L23-T31 HydrophobicContact CD1-CG2 4.16Å; L23-T31 VanDerWaalsContact CD1-OG1 3.3Å; L23-T31 WeakPolarHBondContact CD1-OG1 3.49Å; S27-T31 WeakPolarHBondContact O-CB 3.44Å; S27-T31 PolarHBondContact O-N 2.71Å; S27-T31 PolarHBondContact O-OG1 3.46Å; R28-T31 PolarHBondContact O-N 3.4Å; T31-A33 PolarHBondContact O-N 3.33Å; T31-V34 PolarHBondContact O-N 2.79Å; T31-W38 HydrophobicContact CG2-CD2 4.34Å; T31-W38 HydrophobicContact CG2-CE3 3.49Å; T31-W38 VanDerWaalsContact CG2-CE3 3.49Å; T31-W38 HydrophobicContact CG2-CZ3 4.01Å; T31-M42 HydrophobicContact CG2-CE 3.41Å; T31-M42 VanDerWaalsContact CG2-CE 3.41Å; T31-M42 HydrophobicContact CG2-CG 4.25Å
32M92.9Very high93.3Very high30 Ų3061 Ų6115%0.14830%0.3CS..THydrogen-bonded Turntrans-61.2-22.7172.5-74.8-168.2-71.400113.7R28 C29 N30 R39 M42 W48 F73R28-M32 WeakPolarHBondContact O-CG 3.41Å; R28-M32 PolarHBondContact O-N 3.47Å; C29-M32 HydrophobicContact CB-CE 4.3Å; C29-M32 WeakPolarHBondContact O-CB 3.47Å; C29-M32 PolarHBondContact O-N 3.3Å; N30-M32 VanDerWaalsContact C-N 3.27Å; N30-M32 PolarHBondContact O-N 2.93Å; M32-R39 HydrophobicContact CB-CG 4.5Å; M32-R39 WeakPolarHBondContact O-CB 3.28Å; M32-M42 HydrophobicContact CG-CB 3.36Å; M32-M42 HydrophobicContact CG-CG 3.65Å; M32-M42 HydrophobicContact SD-CB 4.11Å; M32-W48 HydrophobicContact CE-CH2 4.35Å; M32-W48 HydrophobicContact CE-CZ2 4.25Å; M32-W48 HydrophobicContact SD-CZ2 4.39Å; M32-F73 HydrophobicContact CE-CE2 4Å; M32-F73 HydrophobicContact CE-CZ 3.88Å; M32-F73 HydrophobicContact SD-CZ 3.84Å
33A93.1Very high93.4Very high73 Ų7356.6 Ų56.660%0.60329%0.287SS*.THydrogen-bonded Turntrans-89.8-7.8-179.500000113.7N30 T31N30-A33 WeakPolarHBondContact O-CB 3.48Å; N30-A33 PolarHBondContact O-N 3.22Å; T31-A33 PolarHBondContact O-N 3.33Å
34V93.7Very high93.4Very high85 Ų8556.1 Ų56.152%0.51529%0.287SS..THydrogen-bonded Turntrans-70.4-56.4-173.31750000112.3T31 W38T31-V34 PolarHBondContact O-N 2.79Å; V34-W38 HydrophobicContact CB-CD2 4.13Å; V34-W38 HydrophobicContact CB-CE3 3.48Å; V34-W38 VanDerWaalsContact CB-CE3 3.48Å; V34-W38 HydrophobicContact CB-CZ3 4.03Å; V34-W38 HydrophobicContact CG1-CD2 3.96Å; V34-W38 HydrophobicContact CG1-CE3 3.54Å; V34-W38 HydrophobicContact CG1-CH2 4.42Å; V34-W38 HydrophobicContact CG1-CZ3 3.83Å; V34-W38 HydrophobicContact CG2-CE3 3.67Å; V34-W38 HydrophobicContact CG2-CZ3 3.83Å
35C93.4Very high93.5Very high37 Ų3756.4 Ų56.425%0.2529%0.287CS..  trans-155.4166.5176.677.60000111.1R37 W38 R39C35-R37 VanDerWaalsContact C-N 3.28Å; C35-R37 PolarHBondContact O-N 3.14Å; C35-W38 PolarHBondContact O-N 2.87Å; C35-W38 PolarHBondContact SG-N 2.94Å; C35-W38 VanDerWaalsContact SG-N 3.41Å; C35-R39 WeakPolarHBondContact O-CB 3.43Å; C35-R39 PolarHBondContact O-N 3.34Å
36R93.8Very high93.5Very high233 Ų23358 Ų5888%0.87930%0.298SS*.Hα-helixtrans-58.8-38-178.4-68.8-176.7-176.6173.30.9112.9R39 S40R36-R39 PolarHBondContact O-N 2.81Å; R36-S40 PolarHBondContact O-N 3.11Å
37R93.3Very high93.7Very high98 Ų9856.5 Ų56.537%0.3729%0.29SS..Hα-helixtrans-68.2-45.4179.1179.2149.6169.5172.8-2.2111.5S9 D10 M11 C35 R39 S40 V41S9-R37 WeakPolarHBondContact O-CD 3.27Å; S9-R37 PolarHBondContact O-NE 2.77Å; S9-R37 VanDerWaalsContact O-NE 3.1Å; D10-R37 PolarHBondContact O-NH2 3.3Å; M11-R37 PolarHBondContact O-NH2 2.98Å; C35-R37 VanDerWaalsContact C-N 3.28Å; C35-R37 PolarHBondContact O-N 3.14Å; R37-R39 VanDerWaalsContact C-N 3.28Å; R37-R39 PolarHBondContact O-N 2.98Å; R37-S40 PolarHBondContact O-N 2.89Å; R37-S40 PolarHBondContact O-OG 2.99Å; R37-V41 VanDerWaalsContact O-CG2 3.25Å; R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 3.26Å
38W95Very high93.8Very high49 Ų4954.7 Ų54.719%0.18628%0.277CS..Hα-helixtrans-63.6-38.6176.7-74.824000111.7F20 T31 V34 C35 V41 M42F20-W38 HydrophobicContact CE1-CD2 4.38Å; F20-W38 HydrophobicContact CE1-CE3 4.27Å; F20-W38 HydrophobicContact CE1-CZ3 4.36Å; F20-W38 HydrophobicContact CE2-CB 4.23Å; F20-W38 HydrophobicContact CE2-CD2 4.42Å; F20-W38 HydrophobicContact CE2-CG 4.2Å; F20-W38 HydrophobicContact CZ-CB 4.21Å; F20-W38 AromaticContact CZ-CD2 3.57Å; F20-W38 HydrophobicContact CZ-CD2 3.57Å; F20-W38 AromaticContact CZ-CE2 3.93Å; F20-W38 AromaticContact CZ-CE3 3.8Å; F20-W38 HydrophobicContact CZ-CE3 3.8Å; F20-W38 AromaticContact CZ-CG 3.77Å; F20-W38 HydrophobicContact CZ-CG 3.77Å; F20-W38 HydrophobicContact CZ-CZ2 4.46Å; F20-W38 HydrophobicContact CZ-CZ3 4.31Å; T31-W38 HydrophobicContact CG2-CD2 4.34Å; T31-W38 HydrophobicContact CG2-CE3 3.49Å; T31-W38 VanDerWaalsContact CG2-CE3 3.49Å; T31-W38 HydrophobicContact CG2-CZ3 4.01Å; V34-W38 HydrophobicContact CB-CD2 4.13Å; V34-W38 HydrophobicContact CB-CE3 3.48Å; V34-W38 VanDerWaalsContact CB-CE3 3.48Å; V34-W38 HydrophobicContact CB-CZ3 4.03Å; V34-W38 HydrophobicContact CG1-CD2 3.96Å; V34-W38 HydrophobicContact CG1-CE3 3.54Å; V34-W38 HydrophobicContact CG1-CH2 4.42Å; V34-W38 HydrophobicContact CG1-CZ3 3.83Å; V34-W38 HydrophobicContact CG2-CE3 3.67Å; V34-W38 HydrophobicContact CG2-CZ3 3.83Å; C35-W38 PolarHBondContact O-N 2.87Å; C35-W38 PolarHBondContact SG-N 2.94Å; C35-W38 VanDerWaalsContact SG-N 3.41Å; W38-V41 PolarHBondContact O-N 3.38Å; W38-M42 WeakPolarHBondContact O-CB 3.47Å; W38-M42 WeakPolarHBondContact O-CG 3.46Å; W38-M42 PolarHBondContact O-N 3.44Å
39R94.7Very high93.9Very high121 Ų12156.4 Ų56.446%0.45729%0.286SS..Hα-helixtrans-59.2-47.6171.2-170.8172.6175.5172.4-6.6112.1M32 C35 R36 R37 V41 M42 M43M32-R39 HydrophobicContact CB-CG 4.5Å; M32-R39 WeakPolarHBondContact O-CB 3.28Å; C35-R39 WeakPolarHBondContact O-CB 3.43Å; C35-R39 PolarHBondContact O-N 3.34Å; R36-R39 PolarHBondContact O-N 2.81Å; R37-R39 VanDerWaalsContact C-N 3.28Å; R37-R39 PolarHBondContact O-N 2.98Å; R39-V41 VanDerWaalsContact C-N 3.34Å; R39-V41 PolarHBondContact O-N 3.05Å; R39-M42 WeakPolarHBondContact O-CB 3.31Å; R39-M42 PolarHBondContact O-N 2.86Å; R39-M42 VanDerWaalsContact O-N 3.16Å; R39-M43 WeakPolarHBondContact O-CG 3.21Å; R39-M43 PolarHBondContact O-N 3.01Å
40S93.7Very high94.2Very high74 Ų7461.4 Ų61.452%0.51731%0.309SS..Hα-helixtrans-64.1-38.6179.270.60000112.3R36 R37 M43R36-S40 PolarHBondContact O-N 3.11Å; R37-S40 PolarHBondContact O-N 2.89Å; R37-S40 PolarHBondContact O-OG 2.99Å; S40-M43 PolarHBondContact O-N 2.84Å
41V94.2Very high94.4Very high1 Ų157.6 Ų57.61%0.00629%0.288CS..Hα-helixtrans-59.7-47.8171.6-178.30000110.3L13 L16 L17 F20 R37 W38 R39 M43 S44 I47L13-V41 HydrophobicContact CD1-CB 4.12Å; L13-V41 HydrophobicContact CD1-CG1 3.93Å; L13-V41 HydrophobicContact CD1-CG2 3.42Å; L13-V41 VanDerWaalsContact CD1-CG2 3.42Å; L16-V41 HydrophobicContact CB-CG1 4.1Å; L16-V41 HydrophobicContact CB-CG2 4.3Å; L16-V41 HydrophobicContact CD1-CG2 4Å; L17-V41 HydrophobicContact CD2-CG1 3.57Å; L17-V41 HydrophobicContact CG-CG1 3.88Å; F20-V41 HydrophobicContact CD2-CB 4.13Å; F20-V41 HydrophobicContact CD2-CG1 3.63Å; F20-V41 HydrophobicContact CE2-CB 4.01Å; F20-V41 HydrophobicContact CE2-CG1 3.93Å; R37-V41 VanDerWaalsContact O-CG2 3.25Å; R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 3.26Å; W38-V41 PolarHBondContact O-N 3.38Å; R39-V41 VanDerWaalsContact C-N 3.34Å; R39-V41 PolarHBondContact O-N 3.05Å; V41-M43 PolarHBondContact O-N 3.5Å; V41-S44 WeakPolarHBondContact O-CB 3.47Å; V41-S44 PolarHBondContact O-N 2.89Å; V41-S44 PolarHBondContact O-OG 3.43Å; V41-I47 HydrophobicContact CG1-CD1 4.04Å; V41-I47 VanDerWaalsContact O-CD1 3.3Å; V41-I47 WeakPolarHBondContact O-CD1 3.48Å
42M94.5Very high94.5Very high0 Ų058.9 Ų58.90%030%0.296CS..Hα-helixtrans-61.1-23178.4-80.7-66.1174.300114.3F20 L23 R28 T31 M32 W38 R39 S44 I47 W48F20-M42 HydrophobicContact CB-CE 3.48Å; F20-M42 VanDerWaalsContact CB-CE 3.48Å; F20-M42 HydrophobicContact CB-SD 4.4Å; F20-M42 HydrophobicContact CD1-CE 4.03Å; F20-M42 HydrophobicContact CD2-CE 3.56Å; F20-M42 HydrophobicContact CD2-CG 4.24Å; F20-M42 HydrophobicContact CD2-SD 4.29Å; F20-M42 HydrophobicContact CE2-CE 4.28Å; F20-M42 HydrophobicContact CG-CE 3.42Å; F20-M42 VanDerWaalsContact CG-CE 3.42Å; L23-M42 HydrophobicContact CD1-CE 3.7Å; R28-M42 HydrophobicContact CB-CE 4.15Å; R28-M42 HydrophobicContact CB-SD 4.04Å; R28-M42 HydrophobicContact CG-CE 4.01Å; R28-M42 HydrophobicContact CG-SD 4.14Å; T31-M42 HydrophobicContact CG2-CE 3.41Å; T31-M42 VanDerWaalsContact CG2-CE 3.41Å; T31-M42 HydrophobicContact CG2-CG 4.25Å; M32-M42 HydrophobicContact CG-CB 3.36Å; M32-M42 HydrophobicContact CG-CG 3.65Å; M32-M42 HydrophobicContact SD-CB 4.11Å; W38-M42 WeakPolarHBondContact O-CB 3.47Å; W38-M42 WeakPolarHBondContact O-CG 3.46Å; W38-M42 PolarHBondContact O-N 3.44Å; R39-M42 WeakPolarHBondContact O-CB 3.31Å; R39-M42 PolarHBondContact O-N 2.86Å; R39-M42 VanDerWaalsContact O-N 3.16Å; M42-S44 PolarHBondContact O-N 3.3Å; M42-I47 HydrophobicContact SD-CD1 3.91Å; M42-I47 HydrophobicContact SD-CG2 3.86Å; M42-W48 PolarHBondContact O-NE1 2.67Å
43M93.6Very high94.7Very high93 Ų9357.4 Ų57.446%0.45829%0.289SS..THydrogen-bonded Turntrans-77.55.5173.3-63-57.1-65.900113.7R39 S40 V41 F73 W76R39-M43 WeakPolarHBondContact O-CG 3.21Å; R39-M43 PolarHBondContact O-N 3.01Å; S40-M43 PolarHBondContact O-N 2.84Å; V41-M43 PolarHBondContact O-N 3.5Å; M43-F73 HydrophobicContact CE-CE1 4.31Å; M43-F73 HydrophobicContact SD-CE1 4.01Å; M43-F73 HydrophobicContact SD-CZ 4.42Å; M43-W76 HydrophobicContact CE-CH2 4.29Å; M43-W76 VanDerWaalsContact O-CH2 3.28Å; M43-W76 WeakPolarHBondContact O-CH2 3.49Å
44S93.8Very high94.7Very high35 Ų3554.8 Ų54.825%0.24527%0.265CS..  trans-80.9128.7177.3-59.10000112.2V41 M42 S46 I47V41-S44 WeakPolarHBondContact O-CB 3.47Å; V41-S44 PolarHBondContact O-N 2.89Å; V41-S44 PolarHBondContact O-OG 3.43Å; M42-S44 PolarHBondContact O-N 3.3Å; S44-S46 PolarHBondContact O-N 2.88Å; S44-I47 PolarHBondContact O-N 3.39Å
45E94.1Very high94.7Very high62 Ų6250.7 Ų50.729%0.2924%0.24SC..Hα-helixtrans-47.7-41.2178.8-170.7-173.116600112.3I47 W48 H49 W76 R78 R109E45-I47 PolarHBondContact O-N 2.89Å; E45-I47 VanDerWaalsContact O-N 3.13Å; E45-W48 PolarHBondContact O-N 3.06Å; E45-H49 PolarHBondContact O-CD2 2.86Å; E45-H49 VanDerWaalsContact O-CD2 3.3Å; E45-H49 PolarHBondContact O-N 3.12Å; E45-H49 IonicContact OE1-NE2 3.55Å; E45-W76 HydrophobicContact CB-CD2 4.31Å; E45-W76 HydrophobicContact CB-CG 4.21Å; E45-W76 HydrophobicContact CG-CB 3.68Å; E45-W76 HydrophobicContact CG-CD2 4.28Å; E45-W76 HydrophobicContact CG-CG 3.65Å; E45-R78 IonicContact OE1-NH2 3.67Å; E45-R109 IonicContact OE1-CZ 3.93Å; E45-R109 IonicContact OE1-NH1 3.01Å; E45-R109 PolarHBondContact OE1-NH1 3.37Å; E45-R109 IonicContact OE2-NH1 3.88Å
46S93.6Very high94.4Very high38 Ų3851 Ų5127%0.26624%0.242SC..Hα-helixtrans-63.9-20.4-174.677.30000115.2K21 S44K21-S46 WeakPolarHBondContact CE-O 3.26Å; S44-S46 PolarHBondContact O-N 2.88Å
47I94.9Very high93.9Very high2 Ų241 Ų411%0.0121%0.211CC..Hα-helixtrans-74-32.9173.9-73.3177000110.7L17 F20 K21 R28 V41 M42 S44 E45L17-I47 HydrophobicContact CD2-CD1 3.79Å; L17-I47 HydrophobicContact CD2-CG1 3.9Å; F20-I47 HydrophobicContact CB-CD1 3.82Å; F20-I47 HydrophobicContact CB-CG1 4.41Å; F20-I47 HydrophobicContact CD2-CD1 4.22Å; K21-I47 HydrophobicContact CG-CG1 4.44Å; R28-I47 HydrophobicContact CG-CG2 4.48Å; R28-I47 VanDerWaalsContact CZ-O 3.25Å; R28-I47 PolarHBondContact NH1-O 3.46Å; R28-I47 VanDerWaalsContact NH1-O 3.15Å; R28-I47 PolarHBondContact NH2-O 2.91Å; V41-I47 HydrophobicContact CG1-CD1 4.04Å; V41-I47 VanDerWaalsContact O-CD1 3.3Å; V41-I47 WeakPolarHBondContact O-CD1 3.48Å; M42-I47 HydrophobicContact SD-CD1 3.91Å; M42-I47 HydrophobicContact SD-CG2 3.86Å; S44-I47 PolarHBondContact O-N 3.39Å; E45-I47 PolarHBondContact O-N 2.89Å; E45-I47 VanDerWaalsContact O-N 3.13Å
48W95.8Very high93.6Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-94.8-7.2-172.2-60.494.2000113.3L25 R28 M32 M42 E45 E50 I69 F73 W76 H77L25-W48 HydrophobicContact CD2-CE3 4.2Å; L25-W48 HydrophobicContact CD2-CZ3 3.76Å; R28-W48 HydrophobicContact CB-CH2 4.02Å; R28-W48 HydrophobicContact CB-CZ2 4.36Å; M32-W48 HydrophobicContact CE-CH2 4.35Å; M32-W48 HydrophobicContact CE-CZ2 4.25Å; M32-W48 HydrophobicContact SD-CZ2 4.39Å; M42-W48 PolarHBondContact O-NE1 2.67Å; E45-W48 PolarHBondContact O-N 3.06Å; W48-E50 PolarHBondContact O-N 2.71Å; W48-I69 HydrophobicContact CZ3-CG2 4.14Å; W48-F73 HydrophobicContact CB-CB 4.44Å; W48-F73 HydrophobicContact CD2-CB 3.66Å; W48-F73 AromaticContact CD2-CD1 3.84Å; W48-F73 HydrophobicContact CD2-CD1 3.84Å; W48-F73 HydrophobicContact CD2-CD2 4.25Å; W48-F73 AromaticContact CD2-CG 3.64Å; W48-F73 HydrophobicContact CD2-CG 3.64Å; W48-F73 AromaticContact CE2-CD1 3.51Å; W48-F73 AromaticContact CE2-CE1 3.81Å; W48-F73 AromaticContact CE2-CG 3.66Å; W48-F73 HydrophobicContact CE3-CB 3.59Å; W48-F73 HydrophobicContact CE3-CD1 4.41Å; W48-F73 HydrophobicContact CE3-CD2 4.03Å; W48-F73 AromaticContact CE3-CG 3.75Å; W48-F73 HydrophobicContact CE3-CG 3.75Å; W48-F73 HydrophobicContact CG-CB 4.03Å; W48-F73 HydrophobicContact CG-CD1 4.19Å; W48-F73 HydrophobicContact CG-CG 4.26Å; W48-F73 HydrophobicContact CH2-CD1 4.41Å; W48-F73 AromaticContact CH2-CD2 3.52Å; W48-F73 HydrophobicContact CH2-CD2 3.52Å; W48-F73 AromaticContact CH2-CE2 3.65Å; W48-F73 HydrophobicContact CH2-CE2 3.65Å; W48-F73 AromaticContact CH2-CG 3.92Å; W48-F73 HydrophobicContact CH2-CG 3.92Å; W48-F73 HydrophobicContact CH2-CZ 4.15Å; W48-F73 AromaticContact CZ2-CD1 3.85Å; W48-F73 HydrophobicContact CZ2-CD1 3.85Å; W48-F73 AromaticContact CZ2-CD2 3.77Å; W48-F73 HydrophobicContact CZ2-CD2 3.77Å; W48-F73 AromaticContact CZ2-CE1 3.79Å; W48-F73 HydrophobicContact CZ2-CE1 3.79Å; W48-F73 AromaticContact CZ2-CE2 3.72Å; W48-F73 HydrophobicContact CZ2-CE2 3.72Å; W48-F73 AromaticContact CZ2-CG 3.83Å; W48-F73 HydrophobicContact CZ2-CG 3.83Å; W48-F73 AromaticContact CZ2-CZ 3.72Å; W48-F73 HydrophobicContact CZ2-CZ 3.72Å; W48-F73 HydrophobicContact CZ3-CB 4.09Å; W48-F73 AromaticContact CZ3-CD2 3.65Å; W48-F73 HydrophobicContact CZ3-CD2 3.65Å; W48-F73 HydrophobicContact CZ3-CE2 4.26Å; W48-F73 AromaticContact CZ3-CG 3.88Å; W48-F73 HydrophobicContact CZ3-CG 3.88Å; W48-F73 AromaticContact NE1-CD1 3.64Å; W48-F73 AromaticContact NE1-CE1 3.88Å; W48-W76 HydrophobicContact CB-CB 4Å; W48-W76 HydrophobicContact CB-CE3 4.02Å; W48-W76 AromaticContact CD1-CE3 3.43Å; W48-W76 VanDerWaalsContact CD1-CE3 3.43Å; W48-W76 AromaticContact CD1-CZ3 3.63Å; W48-W76 AromaticContact CG-CE3 3.84Å; W48-W76 HydrophobicContact CG-CE3 3.84Å; W48-W76 HydrophobicContact CG-CZ3 4.39Å; W48-W76 AromaticContact NE1-CZ3 3.99Å; W48-H77 PolarHBondContact O-CD2 2.79Å
49H96.3Very high93.3Very high51 Ų5142.7 Ų42.724%0.23622%0.221CC..SBendtrans-49.4-32.7177.1-75.5176.5000114.3E45 W76 R78 R79E45-H49 PolarHBondContact O-CD2 2.86Å; E45-H49 VanDerWaalsContact O-CD2 3.3Å; E45-H49 PolarHBondContact O-N 3.12Å; E45-H49 IonicContact OE1-NE2 3.55Å; H49-W76 PolarHBondContact CD2-O 2.86Å; H49-R78 HydrophobicContact CB-CG 4.42Å; H49-R78 PolarHBondContact NE2-NE 2.85Å; H49-R78 PolarHBondContact NE2-NH2 3.38Å; H49-R78 CarbonylContact O-C 3.56Å; H49-R78 WeakPolarHBondContact O-CA 3.44Å; H49-R78 PolarHBondContact O-N 3.22Å; H49-R79 PolarHBondContact O-N 3Å
50E97Very high92.9Very high111 Ų11145.7 Ų45.752%0.51924%0.238SC..EExtended strand (participates in β ladder)trans-119.1121174.6-174169.7164.800110.6R28 W48 R79R28-E50 PolarHBondContact NH1-O 2.9Å; R28-E50 PolarHBondContact NH2-O 3.25Å; R28-E50 VanDerWaalsContact NH2-O 3.13Å; W48-E50 PolarHBondContact O-N 2.71Å; E50-R79 WeakPolarHBondContact CA-O 3.49Å; E50-R79 HydrophobicContact CG-CB 4.34Å
51A96.9Very high92.8Very high0 Ų048.2 Ų48.20%024%0.241CC..EExtended strand (participates in β ladder)trans-127.4127.1-178.800000110.5L25 Y53 R79 V80 T81L25-A51 HydrophobicContact CD2-CB 4.18Å; A51-Y53 HydrophobicContact CB-CD2 4.45Å; A51-Y53 HydrophobicContact CB-CE2 3.92Å; A51-R79 PolarHBondContact N-O 3Å; A51-V80 WeakPolarHBondContact O-CA 3.23Å; A51-T81 PolarHBondContact O-N 2.86Å
52T97Very high92.6Very high43 Ų4349.6 Ų49.626%0.26425%0.25SS..EExtended strand (participates in β ladder)trans-114.5109.7171.8-63.40000109.4L25 T81 R83L25-T52 VanDerWaalsContact CD1-O 3.26Å; L25-T52 WeakPolarHBondContact CD1-O 3.46Å; T52-T81 CarbonylContact C-O 3.42Å; T52-T81 VanDerWaalsContact CA-O 3.32Å; T52-T81 WeakPolarHBondContact CA-O 3.34Å; T52-T81 HydrophobicContact CG2-CG2 4.38Å; T52-R83 HydrophobicContact CG2-CG 3.9Å
53Y96.5Very high92.4Very high0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-86.5111.8175.7-68.4-91.1000109.7L25 A51 L66 I69 A70 H77 V80 T81 R83 L98 L102L25-Y53 HydrophobicContact CD1-CD1 3.66Å; L25-Y53 HydrophobicContact CD1-CD2 4.28Å; L25-Y53 HydrophobicContact CD1-CE1 3.82Å; L25-Y53 HydrophobicContact CD1-CE2 4.43Å; L25-Y53 HydrophobicContact CD1-CG 3.91Å; A51-Y53 HydrophobicContact CB-CD2 4.45Å; A51-Y53 HydrophobicContact CB-CE2 3.92Å; Y53-L66 HydrophobicContact CD1-CB 4.42Å; Y53-L66 HydrophobicContact CD1-CD2 3.82Å; Y53-L66 HydrophobicContact CD1-CG 4.49Å; Y53-L66 HydrophobicContact CE1-CD2 4.41Å; Y53-I69 HydrophobicContact CE1-CG2 4.24Å; Y53-A70 HydrophobicContact CE1-CB 4.49Å; Y53-A70 WeakPolarHBondContact OH-CA 3.41Å; Y53-A70 WeakPolarHBondContact OH-CB 3.33Å; Y53-H77 AromaticContact CZ-CE1 3.84Å; Y53-H77 PolarHBondContact OH-CE1 3.33Å; Y53-H77 PolarHBondContact OH-ND1 3.12Å; Y53-V80 HydrophobicContact CD2-CG1 3.89Å; Y53-V80 HydrophobicContact CE2-CG1 3.95Å; Y53-T81 PolarHBondContact N-O 2.78Å; Y53-R83 PolarHBondContact O-N 2.85Å; Y53-L98 HydrophobicContact CD1-CD1 3.84Å; Y53-L98 HydrophobicContact CD1-CD2 3.6Å; Y53-L98 HydrophobicContact CD1-CG 4.38Å; Y53-L98 HydrophobicContact CD2-CD2 4.27Å; Y53-L98 HydrophobicContact CE1-CD1 3.67Å; Y53-L98 HydrophobicContact CE1-CD2 4.3Å; Y53-L98 HydrophobicContact CG-CD1 4.39Å; Y53-L98 HydrophobicContact CG-CD2 3.58Å; Y53-L102 HydrophobicContact CE2-CD2 4.39Å
54D93.6Very high92.4Very high17 Ų1750.2 Ų50.29%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-84.8123.3165.6-77.6-41.2000109.1P56 G57 R83 K85D54-P56 CarbonylContact O-C 3.57Å; D54-G57 WeakPolarHBondContact O-CA 3.07Å; D54-G57 PolarHBondContact O-N 2.9Å; D54-R83 WeakPolarHBondContact OD1-CB 3.22Å; D54-R83 IonicContact OD1-CZ 3.28Å; D54-R83 IonicContact OD1-NE 3.07Å; D54-R83 PolarHBondContact OD1-NE 3.45Å; D54-R83 IonicContact OD1-NH2 2.67Å; D54-R83 PolarHBondContact OD1-NH2 2.86Å; D54-R83 IonicContact OD2-CZ 2.86Å; D54-R83 IonicContact OD2-NH2 3.77Å; D54-R83 PolarHBondContact OD2-NH2 3.2Å; D54-K85 WeakPolarHBondContact OD1-CE 3.34Å; D54-K85 IonicContact OD1-NZ 3.73Å; D54-K85 PolarHBondContact OD1-NZ 3.05Å; D54-K85 IonicContact OD2-NZ 3.63Å; D54-K85 PolarHBondContact OD2-NZ 3.49Å
55V93.2Very high92.4Very high0 Ų049.6 Ų49.60%025%0.253CS..EExtended strand (participates in β ladder)trans-112.6122.2177.8-1700000108.9L66 I82 R83 K85 V91 T94 T95 L98V55-L66 HydrophobicContact CG2-CD1 4.09Å; V55-I82 HydrophobicContact CG2-CG2 3.9Å; V55-R83 PolarHBondContact N-O 3.23Å; V55-K85 WeakPolarHBondContact O-CB 3.34Å; V55-K85 PolarHBondContact O-N 2.88Å; V55-V91 HydrophobicContact CG1-CG1 4.03Å; V55-T94 HydrophobicContact CG1-CG2 3.62Å; V55-T95 WeakPolarHBondContact CG1-OG1 3.46Å; V55-L98 HydrophobicContact CG2-CD2 4.26Å
56P87.6Confident92.5Very high43 Ų4346.6 Ų46.628%0.27924%0.239SC..SBendcis-80.6-8.31033.3-31.5000113.9D54 P62 V91D54-P56 CarbonylContact O-C 3.57Å; P56-P62 HydrophobicContact CB-CB 3.83Å; P56-P62 HydrophobicContact CB-CG 3.78Å; P56-P62 WeakPolarHBondContact O-CB 3.39Å; P56-P62 WeakPolarHBondContact O-CG 3.36Å; P56-V91 HydrophobicContact CB-CG2 4.13Å; P56-V91 HydrophobicContact CG-CG2 3.93Å
57G83.6Confident92.5Very high23 Ų2346.4 Ų46.424%0.23723%0.234CC..  trans84.2-163.9-176.700000111.5D54D54-G57 WeakPolarHBondContact O-CA 3.07Å; D54-G57 PolarHBondContact O-N 2.9Å
58K86.5Confident92.4Very high145 Ų14553.2 Ų53.263%0.6326%0.26SS*.SBendtrans-110.10.9-171.7-62.6174.9-175.8163.50113.6D24D24-K58 IonicContact OD2-NZ 3.47Å
59W87.4Confident92.4Very high37 Ų3753.7 Ų53.714%0.1426%0.262CS..SBendtrans-82.8157.3-175.8-58.6-88.7000112L25 N26 E61 P62 A65 L66 I69L25-W59 HydrophobicContact CB-CH2 4.31Å; N26-W59 HydrophobicContact CB-CH2 4.15Å; N26-W59 HydrophobicContact CB-CZ2 3.66Å; N26-W59 PolarHBondContact OD1-NE1 3.28Å; W59-E61 VanDerWaalsContact C-N 3.32Å; W59-P62 VanDerWaalsContact O-CD 3.31Å; W59-P62 WeakPolarHBondContact O-CD 3.46Å; W59-A65 HydrophobicContact CB-CB 3.78Å; W59-A65 HydrophobicContact CD2-CB 3.93Å; W59-A65 HydrophobicContact CE3-CB 4.45Å; W59-A65 HydrophobicContact CG-CB 3.6Å; W59-L66 HydrophobicContact CE3-CD2 3.99Å; W59-L66 HydrophobicContact CE3-CG 4.42Å; W59-L66 HydrophobicContact CH2-CD2 3.65Å; W59-L66 HydrophobicContact CZ3-CD2 3.29Å; W59-L66 HydrophobicContact CZ3-CG 4.12Å; W59-I69 HydrophobicContact CH2-CD1 4.24Å; W59-I69 HydrophobicContact CZ2-CD1 3.84Å
60K87.5Confident92.4Very high184 Ų18451.3 Ų51.380%0.825%0.251SS*.SBendtrans-63.1-39.2175.2-173.3-179.4178.3-176.90111.9P62K60-P62 VanDerWaalsContact C-CD 3.44Å; K60-P62 VanDerWaalsContact O-CD 3.3Å; K60-P62 WeakPolarHBondContact O-CD 3.39Å
61E90.6Very high92.3Very high128 Ų12851.7 Ų51.760%0.59825%0.253SS*.SBendtrans-11978.9173.8-64.4-175135.400110.2W59 T63 L64 A65W59-E61 VanDerWaalsContact C-N 3.32Å; E61-T63 VanDerWaalsContact C-N 3.34Å; E61-T63 PolarHBondContact O-N 2.94Å; E61-L64 HydrophobicContact CB-CB 4.4Å; E61-L64 HydrophobicContact CB-CD1 4.37Å; E61-L64 PolarHBondContact O-N 3.01Å; E61-A65 WeakPolarHBondContact O-CB 3.37Å; E61-A65 PolarHBondContact O-N 2.88Å
62P90.5Very high92.2Very high29 Ų2956.6 Ų56.619%0.18828%0.279CS..Hα-helixtrans-39.6-54.2178.2-42.745.7000115.9P56 W59 K60 L66 T94P56-P62 HydrophobicContact CB-CB 3.83Å; P56-P62 HydrophobicContact CB-CG 3.78Å; P56-P62 WeakPolarHBondContact O-CB 3.39Å; P56-P62 WeakPolarHBondContact O-CG 3.36Å; W59-P62 VanDerWaalsContact O-CD 3.31Å; W59-P62 WeakPolarHBondContact O-CD 3.46Å; K60-P62 VanDerWaalsContact C-CD 3.44Å; K60-P62 VanDerWaalsContact O-CD 3.3Å; K60-P62 WeakPolarHBondContact O-CD 3.39Å; P62-L66 WeakPolarHBondContact O-CB 3.35Å; P62-L66 VanDerWaalsContact O-CG 3.26Å; P62-L66 WeakPolarHBondContact O-CG 3.2Å; P62-L66 PolarHBondContact O-N 3.1Å; P62-T94 HydrophobicContact CB-CG2 4.49Å
63T91Very high92.2Very high30 Ų3055 Ų5518%0.18427%0.269CS..Hα-helixtrans-63.4-56.8-172.3-54.20000111E61 A65 L66 E67 F93 T94 N97E61-T63 VanDerWaalsContact C-N 3.34Å; E61-T63 PolarHBondContact O-N 2.94Å; T63-A65 VanDerWaalsContact C-N 3.32Å; T63-A65 PolarHBondContact O-N 3.36Å; T63-L66 PolarHBondContact O-N 3.07Å; T63-E67 HydrophobicContact CG2-CG 4.37Å; T63-E67 WeakPolarHBondContact CG2-OE1 3.07Å; T63-E67 WeakPolarHBondContact O-CB 3.48Å; T63-E67 VanDerWaalsContact O-CG 3.23Å; T63-E67 WeakPolarHBondContact O-CG 3.4Å; T63-E67 PolarHBondContact O-N 3.01Å; T63-F93 HydrophobicContact CG2-CE1 4.26Å; T63-T94 PolarHBondContact OG1-OG1 2.99Å; T63-N97 HydrophobicContact CG2-CB 4.29Å; T63-N97 WeakPolarHBondContact CG2-ND2 3.02Å
64L93.3Very high92.2Very high76 Ų7655 Ų5540%0.39827%0.269SS..Hα-helixtrans-60.9-40.1-179.5-66.9173000112.3E61 R68E61-L64 HydrophobicContact CB-CB 4.4Å; E61-L64 HydrophobicContact CB-CD1 4.37Å; E61-L64 PolarHBondContact O-N 3.01Å; L64-R68 WeakPolarHBondContact O-CB 3.32Å; L64-R68 VanDerWaalsContact O-CG 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.2Å; L64-R68 PolarHBondContact O-N 3.48Å
65A93.9Very high92.3Very high22 Ų2255 Ų5518%0.18227%0.272CS..Hα-helixtrans-64.3-44.917900000112W59 E61 T63 I69W59-A65 HydrophobicContact CB-CB 3.78Å; W59-A65 HydrophobicContact CD2-CB 3.93Å; W59-A65 HydrophobicContact CE3-CB 4.45Å; W59-A65 HydrophobicContact CG-CB 3.6Å; E61-A65 WeakPolarHBondContact O-CB 3.37Å; E61-A65 PolarHBondContact O-N 2.88Å; T63-A65 VanDerWaalsContact C-N 3.32Å; T63-A65 PolarHBondContact O-N 3.36Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.26Å; A65-I69 WeakPolarHBondContact O-CG1 3.45Å; A65-I69 PolarHBondContact O-N 3.12Å; A65-I69 VanDerWaalsContact O-N 3.13Å
66L95Very high92.4Very high0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-72.1-37.6-179.8-67.9-175.9000112.7Y53 V55 W59 P62 T63 I69 A70 T94Y53-L66 HydrophobicContact CD1-CB 4.42Å; Y53-L66 HydrophobicContact CD1-CD2 3.82Å; Y53-L66 HydrophobicContact CD1-CG 4.49Å; Y53-L66 HydrophobicContact CE1-CD2 4.41Å; V55-L66 HydrophobicContact CG2-CD1 4.09Å; W59-L66 HydrophobicContact CE3-CD2 3.99Å; W59-L66 HydrophobicContact CE3-CG 4.42Å; W59-L66 HydrophobicContact CH2-CD2 3.65Å; W59-L66 HydrophobicContact CZ3-CD2 3.29Å; W59-L66 HydrophobicContact CZ3-CG 4.12Å; P62-L66 WeakPolarHBondContact O-CB 3.35Å; P62-L66 VanDerWaalsContact O-CG 3.26Å; P62-L66 WeakPolarHBondContact O-CG 3.2Å; P62-L66 PolarHBondContact O-N 3.1Å; T63-L66 PolarHBondContact O-N 3.07Å; L66-I69 HydrophobicContact CD2-CD1 4.49Å; L66-I69 PolarHBondContact O-N 2.87Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.2Å; L66-T94 HydrophobicContact CD1-CG2 3.97Å
67E93.8Very high92.9Very high34 Ų3456.3 Ų56.316%0.15927%0.272CS..Hα-helixtrans-59.2-51.3173.3-72.8171.7174.600110.4T63 I69 A70 E71 N97 V101T63-E67 HydrophobicContact CG2-CG 4.37Å; T63-E67 WeakPolarHBondContact CG2-OE1 3.07Å; T63-E67 WeakPolarHBondContact O-CB 3.48Å; T63-E67 VanDerWaalsContact O-CG 3.23Å; T63-E67 WeakPolarHBondContact O-CG 3.4Å; T63-E67 PolarHBondContact O-N 3.01Å; E67-I69 VanDerWaalsContact C-N 3.35Å; E67-I69 PolarHBondContact O-N 3.3Å; E67-A70 CarbonylContact O-C 3.01Å; E67-A70 WeakPolarHBondContact O-CA 3.34Å; E67-A70 WeakPolarHBondContact O-CB 3.44Å; E67-A70 PolarHBondContact O-N 2.85Å; E67-E71 WeakPolarHBondContact O-CG 3.18Å; E67-E71 PolarHBondContact O-N 3.08Å; E67-N97 VanDerWaalsContact OE1-CB 3.25Å; E67-N97 WeakPolarHBondContact OE1-CB 3.06Å; E67-N97 PolarHBondContact OE1-ND2 3.23Å; E67-V101 HydrophobicContact CB-CG2 4.47Å; E67-V101 HydrophobicContact CG-CG2 4.03Å
68R94Very high93.6Very high145 Ų14559.6 Ų59.655%0.54728%0.277SS..Hα-helixtrans-58.8-42.4177.6-74.5175.9179.4-175.1-0.7113.1L64 A70 E71 D72L64-R68 WeakPolarHBondContact O-CB 3.32Å; L64-R68 VanDerWaalsContact O-CG 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.2Å; L64-R68 PolarHBondContact O-N 3.48Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.69Å; R68-E71 PolarHBondContact O-N 3.01Å; R68-D72 WeakPolarHBondContact O-CB 3.27Å; R68-D72 PolarHBondContact O-N 3.02Å
69I94.9Very high94.2Very high10 Ų1058.4 Ų58.45%0.05127%0.268CS..Hα-helixtrans-62-40.9175.7-69.8165.4000110.7L25 W48 Y53 W59 A65 L66 E67 F73L25-I69 HydrophobicContact CD1-CG2 4.38Å; L25-I69 HydrophobicContact CD2-CG2 4.24Å; W48-I69 HydrophobicContact CZ3-CG2 4.14Å; Y53-I69 HydrophobicContact CE1-CG2 4.24Å; W59-I69 HydrophobicContact CH2-CD1 4.24Å; W59-I69 HydrophobicContact CZ2-CD1 3.84Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.26Å; A65-I69 WeakPolarHBondContact O-CG1 3.45Å; A65-I69 PolarHBondContact O-N 3.12Å; A65-I69 VanDerWaalsContact O-N 3.13Å; L66-I69 HydrophobicContact CD2-CD1 4.49Å; L66-I69 PolarHBondContact O-N 2.87Å; E67-I69 VanDerWaalsContact C-N 3.35Å; E67-I69 PolarHBondContact O-N 3.3Å; I69-F73 HydrophobicContact CG2-CD2 4.36Å; I69-F73 PolarHBondContact O-N 3.23Å
70A96.3Very high94.7Very high0 Ų056.7 Ų56.70%026%0.262CS..Hα-helixtrans-67.6-38.4176.900000111.9Y53 L66 E67 R68 G74 L98 V101 L102 L105Y53-A70 HydrophobicContact CE1-CB 4.49Å; Y53-A70 WeakPolarHBondContact OH-CA 3.41Å; Y53-A70 WeakPolarHBondContact OH-CB 3.33Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.2Å; E67-A70 CarbonylContact O-C 3.01Å; E67-A70 WeakPolarHBondContact O-CA 3.34Å; E67-A70 WeakPolarHBondContact O-CB 3.44Å; E67-A70 PolarHBondContact O-N 2.85Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.69Å; A70-G74 WeakPolarHBondContact O-CA 3.4Å; A70-G74 PolarHBondContact O-N 3.12Å; A70-L98 HydrophobicContact CB-CD1 3.95Å; A70-V101 HydrophobicContact CB-CG1 3.75Å; A70-L102 HydrophobicContact CB-CD2 4.03Å; A70-L105 WeakPolarHBondContact O-CD2 3.22Å
71E95.7Very high95.2Very high119 Ų11949 Ų4956%0.55623%0.231SC*.Hα-helixtrans-67.6-48.5176.4-70.5169.8166.900111.9E67 R68 V101E67-E71 WeakPolarHBondContact O-CG 3.18Å; E67-E71 PolarHBondContact O-N 3.08Å; R68-E71 PolarHBondContact O-N 3.01Å; E71-V101 HydrophobicContact CG-CG1 3.97Å
72D94.4Very high95.5Very high104 Ų10443 Ų4356%0.55620%0.202SC*.Hα-helixtrans-70.6-38.9-175.3-74.9-17000112.8R68R68-D72 WeakPolarHBondContact O-CB 3.27Å; R68-D72 PolarHBondContact O-N 3.02Å
73F96.1Very high95.7Very high10 Ų1045.3 Ų45.34%0.04421%0.207CC..Hα-helixtrans-123.2-9.1-169.5-54-68.1000114M32 M43 W48 I69 G75 W76 H77M32-F73 HydrophobicContact CE-CE2 4Å; M32-F73 HydrophobicContact CE-CZ 3.88Å; M32-F73 HydrophobicContact SD-CZ 3.84Å; M43-F73 HydrophobicContact CE-CE1 4.31Å; M43-F73 HydrophobicContact SD-CE1 4.01Å; M43-F73 HydrophobicContact SD-CZ 4.42Å; W48-F73 HydrophobicContact CB-CB 4.44Å; W48-F73 HydrophobicContact CD2-CB 3.66Å; W48-F73 AromaticContact CD2-CD1 3.84Å; W48-F73 HydrophobicContact CD2-CD1 3.84Å; W48-F73 HydrophobicContact CD2-CD2 4.25Å; W48-F73 AromaticContact CD2-CG 3.64Å; W48-F73 HydrophobicContact CD2-CG 3.64Å; W48-F73 AromaticContact CE2-CD1 3.51Å; W48-F73 AromaticContact CE2-CE1 3.81Å; W48-F73 AromaticContact CE2-CG 3.66Å; W48-F73 HydrophobicContact CE3-CB 3.59Å; W48-F73 HydrophobicContact CE3-CD1 4.41Å; W48-F73 HydrophobicContact CE3-CD2 4.03Å; W48-F73 AromaticContact CE3-CG 3.75Å; W48-F73 HydrophobicContact CE3-CG 3.75Å; W48-F73 HydrophobicContact CG-CB 4.03Å; W48-F73 HydrophobicContact CG-CD1 4.19Å; W48-F73 HydrophobicContact CG-CG 4.26Å; W48-F73 HydrophobicContact CH2-CD1 4.41Å; W48-F73 AromaticContact CH2-CD2 3.52Å; W48-F73 HydrophobicContact CH2-CD2 3.52Å; W48-F73 AromaticContact CH2-CE2 3.65Å; W48-F73 HydrophobicContact CH2-CE2 3.65Å; W48-F73 AromaticContact CH2-CG 3.92Å; W48-F73 HydrophobicContact CH2-CG 3.92Å; W48-F73 HydrophobicContact CH2-CZ 4.15Å; W48-F73 AromaticContact CZ2-CD1 3.85Å; W48-F73 HydrophobicContact CZ2-CD1 3.85Å; W48-F73 AromaticContact CZ2-CD2 3.77Å; W48-F73 HydrophobicContact CZ2-CD2 3.77Å; W48-F73 AromaticContact CZ2-CE1 3.79Å; W48-F73 HydrophobicContact CZ2-CE1 3.79Å; W48-F73 AromaticContact CZ2-CE2 3.72Å; W48-F73 HydrophobicContact CZ2-CE2 3.72Å; W48-F73 AromaticContact CZ2-CG 3.83Å; W48-F73 HydrophobicContact CZ2-CG 3.83Å; W48-F73 AromaticContact CZ2-CZ 3.72Å; W48-F73 HydrophobicContact CZ2-CZ 3.72Å; W48-F73 HydrophobicContact CZ3-CB 4.09Å; W48-F73 AromaticContact CZ3-CD2 3.65Å; W48-F73 HydrophobicContact CZ3-CD2 3.65Å; W48-F73 HydrophobicContact CZ3-CE2 4.26Å; W48-F73 AromaticContact CZ3-CG 3.88Å; W48-F73 HydrophobicContact CZ3-CG 3.88Å; W48-F73 AromaticContact NE1-CD1 3.64Å; W48-F73 AromaticContact NE1-CE1 3.88Å; I69-F73 HydrophobicContact CG2-CD2 4.36Å; I69-F73 PolarHBondContact O-N 3.23Å; F73-G75 PolarHBondContact O-N 2.99Å; F73-W76 HydrophobicContact CB-CE3 4.47Å; F73-W76 AromaticContact CD1-CE3 3.86Å; F73-W76 HydrophobicContact CD1-CE3 3.86Å; F73-W76 HydrophobicContact CD1-CH2 4.3Å; F73-W76 AromaticContact CD1-CZ3 3.52Å; F73-W76 HydrophobicContact CD1-CZ3 3.52Å; F73-W76 HydrophobicContact CE1-CZ3 4.02Å; F73-W76 WeakPolarHBondContact O-CB 3.34Å; F73-W76 PolarHBondContact O-N 3.25Å; F73-H77 PolarHBondContact O-CD2 3.01Å; F73-H77 PolarHBondContact O-NE2 2.83Å
74G96.3Very high95.8Very high0 Ų044 Ų440%020%0.199CC..G310 helixtrans-61.1-30.6-17400000114.5A70 W76 H77A70-G74 WeakPolarHBondContact O-CA 3.4Å; A70-G74 PolarHBondContact O-N 3.12Å; G74-W76 PolarHBondContact O-N 3.19Å; G74-W76 VanDerWaalsContact O-N 3.11Å; G74-H77 WeakPolarHBondContact CA-ND1 3.45Å; G74-H77 WeakPolarHBondContact O-CB 3.26Å; G74-H77 PolarHBondContact O-N 3.26Å; G74-H77 VanDerWaalsContact O-N 3.07Å
75G96.2Very high95.6Very high16 Ų1643.6 Ų43.617%0.16519%0.194CC..G310 helixtrans-61.9-17.3175.400000114F73 P107 R109F73-G75 PolarHBondContact O-N 2.99Å; G75-P107 VanDerWaalsContact CA-O 3.24Å; G75-P107 WeakPolarHBondContact CA-O 3.45Å; G75-R109 VanDerWaalsContact O-CD 3.25Å; G75-R109 WeakPolarHBondContact O-CD 3.44Å; G75-R109 VanDerWaalsContact O-CG 3.29Å; G75-R109 WeakPolarHBondContact O-CG 3.41Å
76W96.7Very high95Very high71 Ų7143.3 Ų43.327%0.26919%0.194SC..G310 helixtrans-97.7-12.1178.3-57.2-19.7000113.3M43 E45 W48 H49 F73 G74 R78M43-W76 HydrophobicContact CE-CH2 4.29Å; M43-W76 VanDerWaalsContact O-CH2 3.28Å; M43-W76 WeakPolarHBondContact O-CH2 3.49Å; E45-W76 HydrophobicContact CB-CD2 4.31Å; E45-W76 HydrophobicContact CB-CG 4.21Å; E45-W76 HydrophobicContact CG-CB 3.68Å; E45-W76 HydrophobicContact CG-CD2 4.28Å; E45-W76 HydrophobicContact CG-CG 3.65Å; W48-W76 HydrophobicContact CB-CB 4Å; W48-W76 HydrophobicContact CB-CE3 4.02Å; W48-W76 AromaticContact CD1-CE3 3.43Å; W48-W76 VanDerWaalsContact CD1-CE3 3.43Å; W48-W76 AromaticContact CD1-CZ3 3.63Å; W48-W76 AromaticContact CG-CE3 3.84Å; W48-W76 HydrophobicContact CG-CE3 3.84Å; W48-W76 HydrophobicContact CG-CZ3 4.39Å; W48-W76 AromaticContact NE1-CZ3 3.99Å; H49-W76 PolarHBondContact CD2-O 2.86Å; F73-W76 HydrophobicContact CB-CE3 4.47Å; F73-W76 AromaticContact CD1-CE3 3.86Å; F73-W76 HydrophobicContact CD1-CE3 3.86Å; F73-W76 HydrophobicContact CD1-CH2 4.3Å; F73-W76 AromaticContact CD1-CZ3 3.52Å; F73-W76 HydrophobicContact CD1-CZ3 3.52Å; F73-W76 HydrophobicContact CE1-CZ3 4.02Å; F73-W76 WeakPolarHBondContact O-CB 3.34Å; F73-W76 PolarHBondContact O-N 3.25Å; G74-W76 PolarHBondContact O-N 3.19Å; G74-W76 VanDerWaalsContact O-N 3.11Å; W76-R78 PolarHBondContact O-N 3.31Å
77H97.7Very high94.2Very high0 Ų046.6 Ų46.60%022%0.217CC..  trans-67128.3-178-66.4163.6000111W48 Y53 F73 G74 V80 R109 I110W48-H77 PolarHBondContact O-CD2 2.79Å; Y53-H77 AromaticContact CZ-CE1 3.84Å; Y53-H77 PolarHBondContact OH-CE1 3.33Å; Y53-H77 PolarHBondContact OH-ND1 3.12Å; F73-H77 PolarHBondContact O-CD2 3.01Å; F73-H77 PolarHBondContact O-NE2 2.83Å; G74-H77 WeakPolarHBondContact CA-ND1 3.45Å; G74-H77 WeakPolarHBondContact O-CB 3.26Å; G74-H77 PolarHBondContact O-N 3.26Å; G74-H77 VanDerWaalsContact O-N 3.07Å; H77-V80 HydrophobicContact CB-CG2 3.72Å; H77-R109 CarbonylContact O-C 3.44Å; H77-I110 HydrophobicContact CB-CG1 4.11Å; H77-I110 WeakPolarHBondContact O-CA 3.48Å; H77-I110 PolarHBondContact O-N 3.17Å; H77-I110 VanDerWaalsContact O-N 3.08Å
78R97.9Very high93.7Very high91 Ų9147.6 Ų47.634%0.34322%0.223SC..SBendtrans-107.9-34.6171-59.2-172.1-172.2-163.20.8111.9E45 H49 W76 Q111 C112E45-R78 IonicContact OE1-NH2 3.67Å; H49-R78 HydrophobicContact CB-CG 4.42Å; H49-R78 PolarHBondContact NE2-NE 2.85Å; H49-R78 PolarHBondContact NE2-NH2 3.38Å; H49-R78 CarbonylContact O-C 3.56Å; H49-R78 WeakPolarHBondContact O-CA 3.44Å; H49-R78 PolarHBondContact O-N 3.22Å; W76-R78 PolarHBondContact O-N 3.31Å; R78-Q111 PolarHBondContact O-N 3.02Å; R78-C112 PolarHBondContact O-N 3.1Å
79R98.5Very high93.2Very high120 Ų12044.5 Ų44.545%0.45322%0.222SC..EExtended strand (participates in β ladder)trans-125.5118.8176.4-50.3-172.5-150.9-70.1-2.8109.7H49 E50 A51 C112H49-R79 PolarHBondContact O-N 3Å; E50-R79 WeakPolarHBondContact CA-O 3.49Å; E50-R79 HydrophobicContact CG-CB 4.34Å; A51-R79 PolarHBondContact N-O 3Å; R79-C112 HydrophobicContact CB-CB 4.06Å; R79-C112 HydrophobicContact CG-CB 3.94Å
80V98.4Very high92.9Very high1 Ų152.5 Ų52.51%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-117.4123.6179.8176.50000109.3A51 Y53 H77 I82 L102 I110 C112 L113 T114A51-V80 WeakPolarHBondContact O-CA 3.23Å; Y53-V80 HydrophobicContact CD2-CG1 3.89Å; Y53-V80 HydrophobicContact CE2-CG1 3.95Å; H77-V80 HydrophobicContact CB-CG2 3.72Å; V80-I82 HydrophobicContact CG1-CG1 4.08Å; V80-L102 HydrophobicContact CG1-CD1 3.99Å; V80-I110 HydrophobicContact CB-CG2 4.39Å; V80-I110 HydrophobicContact CG2-CD1 3.83Å; V80-I110 HydrophobicContact CG2-CG1 3.89Å; V80-I110 HydrophobicContact CG2-CG2 4.12Å; V80-C112 PolarHBondContact N-O 2.97Å; V80-L113 HydrophobicContact CB-CD1 4.47Å; V80-L113 HydrophobicContact CG1-CD1 4.36Å; V80-L113 WeakPolarHBondContact O-CA 3.13Å; V80-T114 PolarHBondContact O-N 2.8Å
81T98.2Very high92.6Very high24 Ų2452.8 Ų52.815%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-113.5123.9168.7-58.70000109.3A51 T52 Y53 R83 T114 Q116A51-T81 PolarHBondContact O-N 2.86Å; T52-T81 CarbonylContact C-O 3.42Å; T52-T81 VanDerWaalsContact CA-O 3.32Å; T52-T81 WeakPolarHBondContact CA-O 3.34Å; T52-T81 HydrophobicContact CG2-CG2 4.38Å; Y53-T81 PolarHBondContact N-O 2.78Å; T81-R83 HydrophobicContact CG2-CG 3.86Å; T81-T114 CarbonylContact C-O 3.59Å; T81-T114 WeakPolarHBondContact CA-O 3.26Å; T81-T114 HydrophobicContact CG2-CG2 4.09Å; T81-Q116 HydrophobicContact CG2-CG 4.28Å
82I97Very high92.3Very high0 Ų047.1 Ų47.10%023%0.227CC..EExtended strand (participates in β ladder)trans-104.7110.4173-56.3175.9000107.8V55 V80 I84 T95 L98 L99 L102 T114 Q116V55-I82 HydrophobicContact CG2-CG2 3.9Å; V80-I82 HydrophobicContact CG1-CG1 4.08Å; I82-I84 HydrophobicContact CG2-CG1 4.17Å; I82-T95 HydrophobicContact CG2-CG2 4.23Å; I82-L98 HydrophobicContact CD1-CD2 4.18Å; I82-L98 HydrophobicContact CD1-CG 4.48Å; I82-L98 HydrophobicContact CG1-CD2 4.23Å; I82-L98 HydrophobicContact CG2-CD2 4.33Å; I82-L99 HydrophobicContact CD1-CD2 3.59Å; I82-L99 HydrophobicContact CD1-CG 3.94Å; I82-L102 HydrophobicContact CD1-CD1 3.99Å; I82-T114 PolarHBondContact N-O 3.01Å; I82-Q116 PolarHBondContact O-N 2.84Å
83R94.7Very high92.1Very high78 Ų7847.3 Ų47.329%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-100103.9177.8-61.7-165.6-57.7-166.9-3.8109.5T52 Y53 D54 V55 T81 Q116 V118T52-R83 HydrophobicContact CG2-CG 3.9Å; Y53-R83 PolarHBondContact O-N 2.85Å; D54-R83 WeakPolarHBondContact OD1-CB 3.22Å; D54-R83 IonicContact OD1-CZ 3.28Å; D54-R83 IonicContact OD1-NE 3.07Å; D54-R83 PolarHBondContact OD1-NE 3.45Å; D54-R83 IonicContact OD1-NH2 2.67Å; D54-R83 PolarHBondContact OD1-NH2 2.86Å; D54-R83 IonicContact OD2-CZ 2.86Å; D54-R83 IonicContact OD2-NH2 3.77Å; D54-R83 PolarHBondContact OD2-NH2 3.2Å; V55-R83 PolarHBondContact N-O 3.23Å; T81-R83 HydrophobicContact CG2-CG 3.86Å; R83-Q116 CarbonylContact C-O 3.58Å; R83-Q116 WeakPolarHBondContact CA-O 3.39Å; R83-Q116 HydrophobicContact CG-CB 4.41Å; R83-V118 HydrophobicContact CB-CG2 4Å; R83-V118 HydrophobicContact CG-CG2 4.44Å
84I92.9Very high92Very high2 Ų247 Ų471%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-85.8116.1179.3-46.6171.1000108.1I82 V91 T95 I115 Q116 V118 L123 L130I82-I84 HydrophobicContact CG2-CG1 4.17Å; I84-V91 HydrophobicContact CG2-CG1 3.34Å; I84-T95 HydrophobicContact CD1-CG2 3.69Å; I84-T95 HydrophobicContact CG1-CG2 4Å; I84-I115 HydrophobicContact CD1-CG2 3.83Å; I84-I115 HydrophobicContact CG1-CG2 4.49Å; I84-Q116 PolarHBondContact N-O 3.18Å; I84-V118 PolarHBondContact O-N 2.94Å; I84-L123 HydrophobicContact CB-CD1 4.41Å; I84-L123 HydrophobicContact CD1-CD1 3.85Å; I84-L123 HydrophobicContact CG2-CD1 3.91Å; I84-L123 HydrophobicContact CG2-CD2 4.18Å; I84-L123 HydrophobicContact CG2-CG 4.46Å; I84-L130 HydrophobicContact CD1-CD2 4.39Å
85K88.8Confident91.9Very high68 Ų6847 Ų4730%0.29622%0.222SC..  trans-115.2115.3-177.2-65.7171.6173.21730108.9D54 V55 V118D54-K85 WeakPolarHBondContact OD1-CE 3.34Å; D54-K85 IonicContact OD1-NZ 3.73Å; D54-K85 PolarHBondContact OD1-NZ 3.05Å; D54-K85 IonicContact OD2-NZ 3.63Å; D54-K85 PolarHBondContact OD2-NZ 3.49Å; V55-K85 WeakPolarHBondContact O-CB 3.34Å; V55-K85 PolarHBondContact O-N 2.88Å; K85-V118 HydrophobicContact CG-CB 4.19Å; K85-V118 HydrophobicContact CG-CG2 4.37Å
86G81.6Confident91.7Very high17 Ų1747.3 Ų47.318%0.17522%0.219CC..SBendtrans97.2176.5175.600000114.1Q119G86-Q119 VanDerWaalsContact CA-OE1 3.3Å; G86-Q119 VanDerWaalsContact N-OE1 3.08Å
87S77.8Confident91.6Very high68 Ų6846 Ų4648%0.47622%0.218SC..  trans-114.23.6-168.954.60000114G121 G122S87-G121 WeakPolarHBondContact CA-O 3.19Å; S87-G121 WeakPolarHBondContact CB-O 3.34Å; S87-G122 VanDerWaalsContact CB-CA 3.49Å; S87-G122 WeakPolarHBondContact O-CA 3.5Å
88D83Confident91.6Very high55 Ų5546 Ų4629%0.29422%0.218SC..  trans-69.7135.4-175.7-172.6-47.8000111.2R90 V91 A92D88-R90 PolarHBondContact O-N 3.47Å; D88-R90 VanDerWaalsContact O-N 3.13Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 3.28Å; D88-R90 WeakPolarHBondContact OD1-CG 3.49Å; D88-R90 PolarHBondContact OD1-N 2.7Å; D88-R90 IonicContact OD1-NE 2.89Å; D88-R90 PolarHBondContact OD1-NE 2.91Å; D88-R90 VanDerWaalsContact OD1-NE 3.14Å; D88-R90 IonicContact OD2-CZ 3.56Å; D88-R90 VanDerWaalsContact OD2-CZ 3.28Å; D88-R90 IonicContact OD2-NE 3.47Å; D88-R90 PolarHBondContact OD2-NE 2.82Å; D88-R90 IonicContact OD2-NH2 3.82Å; D88-R90 PolarHBondContact OD2-NH2 2.77Å; D88-V91 HydrophobicContact CB-CG2 4.06Å; D88-V91 VanDerWaalsContact O-CB 3.26Å; D88-V91 WeakPolarHBondContact O-CB 3.29Å; D88-V91 PolarHBondContact O-N 2.8Å; D88-A92 PolarHBondContact O-N 2.68Å
89P84.1Confident91.5Very high80 Ų8041.7 Ų41.752%0.51920%0.201SC..Hα-helixtrans-51.2-33.8174.9-28.635.9000114.5V91 A92 F93P89-V91 VanDerWaalsContact C-N 3.27Å; P89-V91 PolarHBondContact O-N 3.03Å; P89-A92 WeakPolarHBondContact O-CB 3.27Å; P89-A92 PolarHBondContact O-N 3.06Å; P89-F93 PolarHBondContact O-N 3.02Å
90R87.7Confident91.4Very high178 Ų17838.2 Ų38.267%0.67220%0.195SC*.Hα-helixtrans-62-35.8176.1-63.9175.7-69.7179.2-0.1111.8D88 F93 T94D88-R90 PolarHBondContact O-N 3.47Å; D88-R90 VanDerWaalsContact O-N 3.13Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 3.28Å; D88-R90 WeakPolarHBondContact OD1-CG 3.49Å; D88-R90 PolarHBondContact OD1-N 2.7Å; D88-R90 IonicContact OD1-NE 2.89Å; D88-R90 PolarHBondContact OD1-NE 2.91Å; D88-R90 VanDerWaalsContact OD1-NE 3.14Å; D88-R90 IonicContact OD2-CZ 3.56Å; D88-R90 VanDerWaalsContact OD2-CZ 3.28Å; D88-R90 IonicContact OD2-NE 3.47Å; D88-R90 PolarHBondContact OD2-NE 2.82Å; D88-R90 IonicContact OD2-NH2 3.82Å; D88-R90 PolarHBondContact OD2-NH2 2.77Å; R90-F93 PolarHBondContact O-N 3.09Å; R90-T94 WeakPolarHBondContact O-CB 3.42Å; R90-T94 PolarHBondContact O-N 2.77Å; R90-T94 PolarHBondContact O-OG1 2.82Å
91V90.5Very high91.4Very high6 Ų639.6 Ų39.64%0.03620%0.203CC..Hα-helixtrans-65.6-41176.5172.30000110.7V55 P56 I84 D88 P89 T95V55-V91 HydrophobicContact CG1-CG1 4.03Å; P56-V91 HydrophobicContact CB-CG2 4.13Å; P56-V91 HydrophobicContact CG-CG2 3.93Å; I84-V91 HydrophobicContact CG2-CG1 3.34Å; D88-V91 HydrophobicContact CB-CG2 4.06Å; D88-V91 VanDerWaalsContact O-CB 3.26Å; D88-V91 WeakPolarHBondContact O-CB 3.29Å; D88-V91 PolarHBondContact O-N 2.8Å; P89-V91 VanDerWaalsContact C-N 3.27Å; P89-V91 PolarHBondContact O-N 3.03Å; V91-T95 WeakPolarHBondContact O-CB 3.13Å; V91-T95 PolarHBondContact O-N 2.82Å; V91-T95 PolarHBondContact O-OG1 3.08Å
92A88.9Confident91.4Very high1 Ų138.4 Ų38.41%0.00820%0.196CC..Hα-helixtrans-62.2-46.6173.700000110.9D88 P89 T95 M96 L123 H126D88-A92 PolarHBondContact O-N 2.68Å; P89-A92 WeakPolarHBondContact O-CB 3.27Å; P89-A92 PolarHBondContact O-N 3.06Å; A92-T95 WeakPolarHBondContact O-CB 3.24Å; A92-T95 PolarHBondContact O-N 3.08Å; A92-M96 VanDerWaalsContact O-CG 3.32Å; A92-M96 WeakPolarHBondContact O-CG 3.32Å; A92-M96 PolarHBondContact O-N 2.89Å; A92-L123 HydrophobicContact CB-CD2 3.77Å; A92-H126 HydrophobicContact CB-CB 3.89Å
93F91Very high91.3Very high107 Ų10738.5 Ų38.547%0.46920%0.197SC..Hα-helixtrans-59.7-52.5177.9-178.2-98000112.5T63 P89 R90 T95 M96 N97T63-F93 HydrophobicContact CG2-CE1 4.26Å; P89-F93 PolarHBondContact O-N 3.02Å; R90-F93 PolarHBondContact O-N 3.09Å; F93-T95 PolarHBondContact O-N 3.42Å; F93-M96 PolarHBondContact O-N 3.32Å; F93-M96 VanDerWaalsContact O-N 3.14Å; F93-N97 VanDerWaalsContact CE1-ND2 3.25Å; F93-N97 WeakPolarHBondContact CE1-ND2 3.42Å; F93-N97 WeakPolarHBondContact CZ-ND2 3.44Å; F93-N97 PolarHBondContact O-N 3.18Å
94T93.2Very high91.4Very high4 Ų439.7 Ų39.73%0.02521%0.206CC..Hα-helixtrans-57.1-39.6176.4-55.90000111.8V55 P62 T63 L66 R90 L98V55-T94 HydrophobicContact CG1-CG2 3.62Å; P62-T94 HydrophobicContact CB-CG2 4.49Å; T63-T94 PolarHBondContact OG1-OG1 2.99Å; L66-T94 HydrophobicContact CD1-CG2 3.97Å; R90-T94 WeakPolarHBondContact O-CB 3.42Å; R90-T94 PolarHBondContact O-N 2.77Å; R90-T94 PolarHBondContact O-OG1 2.82Å; T94-L98 VanDerWaalsContact O-CB 3.27Å; T94-L98 WeakPolarHBondContact O-CB 3.36Å; T94-L98 PolarHBondContact O-N 2.99Å
95T94.2Very high91.5Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-64.3-46.2177.2-580000111.5V55 I82 I84 V91 A92 F93 L98 L99 L130V55-T95 WeakPolarHBondContact CG1-OG1 3.46Å; I82-T95 HydrophobicContact CG2-CG2 4.23Å; I84-T95 HydrophobicContact CD1-CG2 3.69Å; I84-T95 HydrophobicContact CG1-CG2 4Å; V91-T95 WeakPolarHBondContact O-CB 3.13Å; V91-T95 PolarHBondContact O-N 2.82Å; V91-T95 PolarHBondContact O-OG1 3.08Å; A92-T95 WeakPolarHBondContact O-CB 3.24Å; A92-T95 PolarHBondContact O-N 3.08Å; F93-T95 PolarHBondContact O-N 3.42Å; T95-L98 PolarHBondContact O-N 2.59Å; T95-L99 HydrophobicContact CG2-CD1 4.21Å; T95-L99 WeakPolarHBondContact O-CG 3.38Å; T95-L99 PolarHBondContact O-N 2.95Å; T95-L130 HydrophobicContact CG2-CD1 3.74Å
96M93.9Very high91.8Very high23 Ų2341.8 Ų41.811%0.11322%0.219CC..Hα-helixtrans-62.6-46.9179.4-73.3-176.1-59.200111.1A92 F93 L99 C100 N129 L130 C133A92-M96 VanDerWaalsContact O-CG 3.32Å; A92-M96 WeakPolarHBondContact O-CG 3.32Å; A92-M96 PolarHBondContact O-N 2.89Å; F93-M96 PolarHBondContact O-N 3.32Å; F93-M96 VanDerWaalsContact O-N 3.14Å; M96-L99 PolarHBondContact O-N 2.91Å; M96-C100 PolarHBondContact O-N 3.24Å; M96-C100 PolarHBondContact O-SG 2.63Å; M96-C100 VanDerWaalsContact O-SG 3.41Å; M96-N129 HydrophobicContact SD-CB 3.53Å; M96-N129 VanDerWaalsContact SD-CB 3.53Å; M96-L130 HydrophobicContact CG-CB 4.25Å; M96-L130 HydrophobicContact CG-CD1 3.9Å; M96-L130 HydrophobicContact SD-CB 4.45Å; M96-C133 HydrophobicContact CG-CB 4.47Å
97N94.8Very high92.4Very high43 Ų4343.2 Ų43.223%0.2323%0.226CC..Hα-helixtrans-58.9-49.5175.7-82.619.2000112.2T63 E67 F93 L99 C100 V101T63-N97 HydrophobicContact CG2-CB 4.29Å; T63-N97 WeakPolarHBondContact CG2-ND2 3.02Å; E67-N97 VanDerWaalsContact OE1-CB 3.25Å; E67-N97 WeakPolarHBondContact OE1-CB 3.06Å; E67-N97 PolarHBondContact OE1-ND2 3.23Å; F93-N97 VanDerWaalsContact CE1-ND2 3.25Å; F93-N97 WeakPolarHBondContact CE1-ND2 3.42Å; F93-N97 WeakPolarHBondContact CZ-ND2 3.44Å; F93-N97 PolarHBondContact O-N 3.18Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.03Å; N97-C100 WeakPolarHBondContact O-CB 3.31Å; N97-C100 PolarHBondContact O-N 3.33Å; N97-V101 PolarHBondContact O-N 3.22Å
98L96.7Very high93.3Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-57.2-43.7177.6175.462.9000111.5Y53 V55 A70 I82 T94 T95 C100 V101 L102Y53-L98 HydrophobicContact CD1-CD1 3.84Å; Y53-L98 HydrophobicContact CD1-CD2 3.6Å; Y53-L98 HydrophobicContact CD1-CG 4.38Å; Y53-L98 HydrophobicContact CD2-CD2 4.27Å; Y53-L98 HydrophobicContact CE1-CD1 3.67Å; Y53-L98 HydrophobicContact CE1-CD2 4.3Å; Y53-L98 HydrophobicContact CG-CD1 4.39Å; Y53-L98 HydrophobicContact CG-CD2 3.58Å; V55-L98 HydrophobicContact CG2-CD2 4.26Å; A70-L98 HydrophobicContact CB-CD1 3.95Å; I82-L98 HydrophobicContact CD1-CD2 4.18Å; I82-L98 HydrophobicContact CD1-CG 4.48Å; I82-L98 HydrophobicContact CG1-CD2 4.23Å; I82-L98 HydrophobicContact CG2-CD2 4.33Å; T94-L98 VanDerWaalsContact O-CB 3.27Å; T94-L98 WeakPolarHBondContact O-CB 3.36Å; T94-L98 PolarHBondContact O-N 2.99Å; T95-L98 PolarHBondContact O-N 2.59Å; L98-C100 VanDerWaalsContact C-N 3.33Å; L98-C100 PolarHBondContact O-N 3.25Å; L98-V101 PolarHBondContact O-N 3.08Å; L98-L102 HydrophobicContact CD1-CD1 3.96Å; L98-L102 HydrophobicContact CD1-CG 4Å; L98-L102 HydrophobicContact CG-CD1 3.87Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 3.22Å
99L96.5Very high94Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-61.9-40.3176-80.3167.9000112.3I82 T95 M96 N97 A103 I115 L130 C133 I134I82-L99 HydrophobicContact CD1-CD2 3.59Å; I82-L99 HydrophobicContact CD1-CG 3.94Å; T95-L99 HydrophobicContact CG2-CD1 4.21Å; T95-L99 WeakPolarHBondContact O-CG 3.38Å; T95-L99 PolarHBondContact O-N 2.95Å; M96-L99 PolarHBondContact O-N 2.91Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.03Å; L99-A103 VanDerWaalsContact O-CB 3.27Å; L99-A103 WeakPolarHBondContact O-CB 2.96Å; L99-A103 PolarHBondContact O-N 3.19Å; L99-I115 HydrophobicContact CD1-CD1 4.48Å; L99-I115 HydrophobicContact CD2-CD1 4.19Å; L99-L130 HydrophobicContact CD1-CD1 3.55Å; L99-C133 HydrophobicContact CB-CB 4.15Å; L99-C133 HydrophobicContact CD1-CB 4.19Å; L99-I134 HydrophobicContact CD1-CG1 3.78Å
100C96.4Very high94.6Very high47 Ų4738.6 Ų38.632%0.31818%0.183SC..Hα-helixtrans-64-48175.2-730000111.5M96 N97 L98 L102 A103 E104M96-C100 PolarHBondContact O-N 3.24Å; M96-C100 PolarHBondContact O-SG 2.63Å; M96-C100 VanDerWaalsContact O-SG 3.41Å; N97-C100 WeakPolarHBondContact O-CB 3.31Å; N97-C100 PolarHBondContact O-N 3.33Å; L98-C100 VanDerWaalsContact C-N 3.33Å; L98-C100 PolarHBondContact O-N 3.25Å; C100-L102 PolarHBondContact O-N 3.19Å; C100-A103 WeakPolarHBondContact O-CB 3.29Å; C100-A103 PolarHBondContact O-N 3.2Å; C100-A103 VanDerWaalsContact O-N 3.1Å; C100-E104 WeakPolarHBondContact O-CG 3.45Å; C100-E104 PolarHBondContact O-N 2.93Å; C100-E104 VanDerWaalsContact O-N 3.15Å
101V97.1Very high95.1Very high30 Ų3033 Ų3318%0.18217%0.165CC..Hα-helixtrans-58.8-49176.3173.40000110.7E67 A70 E71 N97 L98 A103 E104 L105E67-V101 HydrophobicContact CB-CG2 4.47Å; E67-V101 HydrophobicContact CG-CG2 4.03Å; A70-V101 HydrophobicContact CB-CG1 3.75Å; E71-V101 HydrophobicContact CG-CG1 3.97Å; N97-V101 PolarHBondContact O-N 3.22Å; L98-V101 PolarHBondContact O-N 3.08Å; V101-A103 PolarHBondContact O-N 3.02Å; V101-E104 PolarHBondContact O-N 2.81Å; V101-E104 VanDerWaalsContact O-N 3.16Å; V101-L105 WeakPolarHBondContact O-CG 3.24Å; V101-L105 PolarHBondContact O-N 2.9Å
102L97.9Very high95.5Very high0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-61.6-29.9177.5-68.8171.1000113Y53 A70 V80 I82 L98 C100 L105 R108 I110 F137Y53-L102 HydrophobicContact CE2-CD2 4.39Å; A70-L102 HydrophobicContact CB-CD2 4.03Å; V80-L102 HydrophobicContact CG1-CD1 3.99Å; I82-L102 HydrophobicContact CD1-CD1 3.99Å; L98-L102 HydrophobicContact CD1-CD1 3.96Å; L98-L102 HydrophobicContact CD1-CG 4Å; L98-L102 HydrophobicContact CG-CD1 3.87Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 3.22Å; C100-L102 PolarHBondContact O-N 3.19Å; L102-L105 HydrophobicContact CD2-CD1 3.85Å; L102-R108 VanDerWaalsContact O-CD 3.29Å; L102-R108 WeakPolarHBondContact O-CD 3.42Å; L102-I110 HydrophobicContact CB-CD1 4.43Å; L102-I110 HydrophobicContact CD2-CD1 4.18Å; L102-F137 HydrophobicContact CB-CD2 4.25Å; L102-F137 HydrophobicContact CB-CE2 3.97Å
103A96.6Very high96Very high2 Ų233.1 Ų33.12%0.01717%0.166CC..Hα-helixtrans-70.3-36.9177.800000112.1L99 C100 V101 R108 F137L99-A103 VanDerWaalsContact O-CB 3.27Å; L99-A103 WeakPolarHBondContact O-CB 2.96Å; L99-A103 PolarHBondContact O-N 3.19Å; C100-A103 WeakPolarHBondContact O-CB 3.29Å; C100-A103 PolarHBondContact O-N 3.2Å; C100-A103 VanDerWaalsContact O-N 3.1Å; V101-A103 PolarHBondContact O-N 3.02Å; A103-R108 PolarHBondContact O-NH1 2.63Å; A103-F137 HydrophobicContact CB-CB 4.14Å; A103-F137 HydrophobicContact CB-CD2 3.97Å; A103-F137 HydrophobicContact CB-CG 4.47Å
104E95.7Very high96.3Very high103 Ų10329.2 Ų29.248%0.48115%0.151SC..Hα-helixtrans-88.7-5-175.6-61.4-52.8139.200114.4C100 V101 L106 K140C100-E104 WeakPolarHBondContact O-CG 3.45Å; C100-E104 PolarHBondContact O-N 2.93Å; C100-E104 VanDerWaalsContact O-N 3.15Å; V101-E104 PolarHBondContact O-N 2.81Å; V101-E104 VanDerWaalsContact O-N 3.16Å; E104-L106 PolarHBondContact O-N 2.76Å; E104-K140 WeakPolarHBondContact OE1-CE 3.47Å; E104-K140 IonicContact OE1-NZ 2.87Å; E104-K140 PolarHBondContact OE1-NZ 3.35Å; E104-K140 IonicContact OE2-NZ 2.78Å; E104-K140 PolarHBondContact OE2-NZ 3.13Å
105L95.4Very high96.5Very high18 Ų1829 Ų299%0.09415%0.15CC..  trans-54.6134.2175.6-67.5172.8000111.6A70 V101 L102 R108A70-L105 WeakPolarHBondContact O-CD2 3.22Å; V101-L105 WeakPolarHBondContact O-CG 3.24Å; V101-L105 PolarHBondContact O-N 2.9Å; L102-L105 HydrophobicContact CD2-CD1 3.85Å; L105-R108 HydrophobicContact CB-CB 4.33Å; L105-R108 HydrophobicContact CB-CG 4.38Å; L105-R108 WeakPolarHBondContact O-CB 3.43Å
106L94Very high96.4Very high95 Ų9531.4 Ų31.450%0.49716%0.161SC..SBendtrans-140.3123.6166.4-66174.8000108.7E104 Y145 Q148E104-L106 PolarHBondContact O-N 2.76Å; L106-Y145 HydrophobicContact CD1-CD1 4.11Å; L106-Y145 HydrophobicContact CD1-CE1 4.16Å; L106-Y145 HydrophobicContact CD2-CD1 3.88Å; L106-Y145 HydrophobicContact CD2-CE1 4.42Å; L106-Y145 HydrophobicContact CD2-CG 4.43Å; L106-Q148 HydrophobicContact CD2-CB 3.99Å
107P95.1Very high96.2Very high48 Ų4830.5 Ų30.531%0.31216%0.157SC..SBendcis-70.8136.1-2.530.1-35.2000112.5G75 Q148G75-P107 VanDerWaalsContact CA-O 3.24Å; G75-P107 WeakPolarHBondContact CA-O 3.45Å; P107-Q148 CarbonylContact C-O 3.43Å; P107-Q148 VanDerWaalsContact CA-O 3.23Å; P107-Q148 WeakPolarHBondContact CA-O 3.22Å
108R96.7Very high95.8Very high1 Ų131.6 Ų31.60%0.00417%0.165CC..BIsolated β-bridgetrans-97105.6172.5-165.5172.476.2171.69.9110.8L102 A103 L105 I110 F137 K140 Q148 L149 A150L102-R108 VanDerWaalsContact O-CD 3.29Å; L102-R108 WeakPolarHBondContact O-CD 3.42Å; A103-R108 PolarHBondContact O-NH1 2.63Å; L105-R108 HydrophobicContact CB-CB 4.33Å; L105-R108 HydrophobicContact CB-CG 4.38Å; L105-R108 WeakPolarHBondContact O-CB 3.43Å; R108-I110 HydrophobicContact CG-CB 4.28Å; R108-I110 HydrophobicContact CG-CD1 4.08Å; R108-I110 HydrophobicContact CG-CG1 4.12Å; R108-F137 PolarHBondContact NH1-O 3.22Å; R108-F137 PolarHBondContact NH2-O 2.78Å; R108-K140 PolarHBondContact NH2-O 3.17Å; R108-Q148 PolarHBondContact N-O 2.83Å; R108-L149 HydrophobicContact CB-CG 4.29Å; R108-A150 PolarHBondContact O-N 2.93Å
109R97Very high94.8Very high104 Ų10437 Ų3739%0.39219%0.19SC..  trans-94.57.1-179.2-61.7-173.8178.5-145.8-10.2114.4E45 G75 H77 Q111E45-R109 IonicContact OE1-CZ 3.93Å; E45-R109 IonicContact OE1-NH1 3.01Å; E45-R109 PolarHBondContact OE1-NH1 3.37Å; E45-R109 IonicContact OE2-NH1 3.88Å; G75-R109 VanDerWaalsContact O-CD 3.25Å; G75-R109 WeakPolarHBondContact O-CD 3.44Å; G75-R109 VanDerWaalsContact O-CG 3.29Å; G75-R109 WeakPolarHBondContact O-CG 3.41Å; H77-R109 CarbonylContact O-C 3.44Å; R109-Q111 PolarHBondContact O-N 2.99Å
110I98.3Very high93.4Very high0 Ų043.5 Ų43.50%022%0.22CC..  trans-66.5117.3-176-57.4170.7000109.3H77 V80 L102 R108 F137 L152H77-I110 HydrophobicContact CB-CG1 4.11Å; H77-I110 WeakPolarHBondContact O-CA 3.48Å; H77-I110 PolarHBondContact O-N 3.17Å; H77-I110 VanDerWaalsContact O-N 3.08Å; V80-I110 HydrophobicContact CB-CG2 4.39Å; V80-I110 HydrophobicContact CG2-CD1 3.83Å; V80-I110 HydrophobicContact CG2-CG1 3.89Å; V80-I110 HydrophobicContact CG2-CG2 4.12Å; L102-I110 HydrophobicContact CB-CD1 4.43Å; L102-I110 HydrophobicContact CD2-CD1 4.18Å; R108-I110 HydrophobicContact CG-CB 4.28Å; R108-I110 HydrophobicContact CG-CD1 4.08Å; R108-I110 HydrophobicContact CG-CG1 4.12Å; I110-F137 HydrophobicContact CB-CZ 4.38Å; I110-F137 HydrophobicContact CD1-CE2 4Å; I110-F137 HydrophobicContact CD1-CZ 4.01Å; I110-F137 HydrophobicContact CG2-CZ 4.1Å; I110-L152 HydrophobicContact CG2-CD2 4.24Å; I110-L152 WeakPolarHBondContact O-CD2 3.19Å
111Q98.2Very high91.7Very high61 Ų6142.9 Ų42.929%0.28522%0.221SC..  trans-110.4-18.9176.9-69.7176.1-34.800112R78 R109 A150 L153 R154R78-Q111 PolarHBondContact O-N 3.02Å; R109-Q111 PolarHBondContact O-N 2.99Å; Q111-A150 HydrophobicContact CG-CB 4.07Å; Q111-L153 HydrophobicContact CB-CB 4.45Å; Q111-L153 HydrophobicContact CB-CD1 4.07Å; Q111-L153 HydrophobicContact CB-CG 4.05Å; Q111-L153 HydrophobicContact CG-CD1 4.26Å; Q111-L153 HydrophobicContact CG-CG 4.35Å; Q111-L153 WeakPolarHBondContact O-CA 2.97Å; Q111-L153 PolarHBondContact O-N 3.21Å; Q111-R154 PolarHBondContact O-N 3.41Å
112C98.7Very high90.1Very high9 Ų943 Ų436%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-129.7123.6177.9-54.40000110R78 R79 V80 R154R78-C112 PolarHBondContact O-N 3.1Å; R79-C112 HydrophobicContact CB-CB 4.06Å; R79-C112 HydrophobicContact CG-CB 3.94Å; V80-C112 PolarHBondContact N-O 2.97Å; C112-R154 CarbonylContact C-O 3.48Å; C112-R154 VanDerWaalsContact CA-O 3.3Å; C112-R154 WeakPolarHBondContact CA-O 3.39Å; C112-R154 HydrophobicContact CB-CB 4.11Å
113L98.6Very high89Confident0 Ų043.3 Ų43.30%023%0.23CC..EExtended strand (participates in β ladder)trans-117129.7172.4-179.367000109.9V80 I115 F137 F138 R154 V155 D156V80-L113 HydrophobicContact CB-CD1 4.47Å; V80-L113 HydrophobicContact CG1-CD1 4.36Å; V80-L113 WeakPolarHBondContact O-CA 3.13Å; L113-I115 HydrophobicContact CD1-CG1 4.42Å; L113-I115 HydrophobicContact CD2-CD1 4.36Å; L113-I115 HydrophobicContact CG-CG1 4.35Å; L113-F137 HydrophobicContact CB-CE1 4.47Å; L113-F137 HydrophobicContact CD2-CD1 3.77Å; L113-F137 HydrophobicContact CD2-CE1 3.75Å; L113-F137 HydrophobicContact CD2-CG 4.49Å; L113-F137 HydrophobicContact CD2-CZ 4.46Å; L113-F138 HydrophobicContact CD2-CE1 3.79Å; L113-F138 HydrophobicContact CD2-CZ 4.21Å; L113-R154 PolarHBondContact N-O 3.37Å; L113-V155 WeakPolarHBondContact O-CA 3.32Å; L113-D156 PolarHBondContact O-N 3.22Å
114T98.2Very high87.7Confident26 Ų2647.3 Ų47.316%0.1626%0.258CS..EExtended strand (participates in β ladder)trans-131.4128.8173.5-60.60000108.9V80 T81 I82 Q116 D156V80-T114 PolarHBondContact O-N 2.8Å; T81-T114 CarbonylContact C-O 3.59Å; T81-T114 WeakPolarHBondContact CA-O 3.26Å; T81-T114 HydrophobicContact CG2-CG2 4.09Å; I82-T114 PolarHBondContact N-O 3.01Å; T114-Q116 HydrophobicContact CG2-CG 3.7Å; T114-D156 WeakPolarHBondContact CA-O 3.49Å; T114-D156 HydrophobicContact CG2-CB 4.07Å
115I95.7Very high86.9Confident0 Ų053.4 Ų53.40%028%0.276CS..EExtended strand (participates in β ladder)trans-118.9118.2175.6-55.5177.6000108.9I84 L99 L113 I134 D156 L157 M160I84-I115 HydrophobicContact CD1-CG2 3.83Å; I84-I115 HydrophobicContact CG1-CG2 4.49Å; L99-I115 HydrophobicContact CD1-CD1 4.48Å; L99-I115 HydrophobicContact CD2-CD1 4.19Å; L113-I115 HydrophobicContact CD1-CG1 4.42Å; L113-I115 HydrophobicContact CD2-CD1 4.36Å; L113-I115 HydrophobicContact CG-CG1 4.35Å; I115-I134 HydrophobicContact CD1-CD1 3.72Å; I115-I134 HydrophobicContact CD1-CG1 3.76Å; I115-D156 PolarHBondContact N-O 3.05Å; I115-L157 HydrophobicContact CB-CD2 4.21Å; I115-L157 HydrophobicContact CD1-CD2 4.05Å; I115-L157 HydrophobicContact CG1-CD2 4.18Å; I115-M160 HydrophobicContact CB-CG 4.07Å; I115-M160 HydrophobicContact CD1-CE 4.5Å; I115-M160 HydrophobicContact CG2-CE 4.08Å; I115-M160 HydrophobicContact CG2-CG 4.01Å
116Q93.2Very high86.3Confident49 Ų4955.2 Ų55.223%0.22928%0.284CS..EExtended strand (participates in β ladder)trans-119.6116.7-174.1-57.9-178-21.800111.4T81 I82 R83 I84 T114 V118T81-Q116 HydrophobicContact CG2-CG 4.28Å; I82-Q116 PolarHBondContact O-N 2.84Å; R83-Q116 CarbonylContact C-O 3.58Å; R83-Q116 WeakPolarHBondContact CA-O 3.39Å; R83-Q116 HydrophobicContact CG-CB 4.41Å; I84-Q116 PolarHBondContact N-O 3.18Å; T114-Q116 HydrophobicContact CG2-CG 3.7Å; Q116-V118 HydrophobicContact CB-CG2 4.5Å; Q116-V118 PolarHBondContact O-N 3.44Å
117C90.4Very high86Confident5 Ų551.1 Ų51.13%0.03427%0.265CS..EExtended strand (participates in β ladder)trans-84.2106.9163.4-56.50000107.8L123 S159 T161C117-L123 VanDerWaalsContact SG-CD1 3.55Å; C117-S159 WeakPolarHBondContact CB-O 3.24Å; C117-S159 PolarHBondContact N-O 2.65Å; C117-S159 PolarHBondContact SG-O 3.28Å; C117-T161 HydrophobicContact CB-CG2 3.76Å; C117-T161 PolarHBondContact SG-N 3.36Å
118V85.6Confident85.7Confident66 Ų6655.1 Ų55.140%0.428%0.279SS..  trans-81.4-28-175.9-179.50000111.4R83 I84 K85 Q116R83-V118 HydrophobicContact CB-CG2 4Å; R83-V118 HydrophobicContact CG-CG2 4.44Å; I84-V118 PolarHBondContact O-N 2.94Å; K85-V118 HydrophobicContact CG-CB 4.19Å; K85-V118 HydrophobicContact CG-CG2 4.37Å; Q116-V118 HydrophobicContact CB-CG2 4.5Å; Q116-V118 PolarHBondContact O-N 3.44Å
119Q75.6Confident85.5Confident113 Ų11359.1 Ų59.153%0.52830%0.301SS..SBendtrans-121.5143.7178-68.4178.3-20.600109.9G86G86-Q119 VanDerWaalsContact CA-OE1 3.3Å; G86-Q119 VanDerWaalsContact N-OE1 3.08Å
120H67.4Low85.2Confident137 Ų13754.2 Ų54.263%0.63428%0.282SS*.  trans-76.4132.8176.1-63.8-75.8000110.3R188H120-R188 PolarHBondContact CE1-NH1 3.19Å
121G60.2Low85Confident33 Ų3354.3 Ų54.334%0.3428%0.283SS..SBendtrans124.5150.9167.100000114.9S87 L123S87-G121 WeakPolarHBondContact CA-O 3.19Å; S87-G121 WeakPolarHBondContact CB-O 3.34Å; G121-L123 PolarHBondContact O-N 3.21Å
122G63.1Low84.9Confident33 Ų3354.6 Ų54.634%0.3429%0.286SS..SBendtrans92-41.5162.400000118.1S87 C124S87-G122 VanDerWaalsContact CB-CA 3.49Å; S87-G122 WeakPolarHBondContact O-CA 3.5Å; G122-C124 PolarHBondContact O-N 3.5Å; G122-C124 VanDerWaalsContact O-N 3.09Å
123L75.6Confident84.7Confident6 Ų655 Ų553%0.03129%0.289CS..G310 helixtrans-67-16.1-175.4-64.2178.1000114I84 A92 C117 G121 R125 H126 G127 L130 I162I84-L123 HydrophobicContact CB-CD1 4.41Å; I84-L123 HydrophobicContact CD1-CD1 3.85Å; I84-L123 HydrophobicContact CG2-CD1 3.91Å; I84-L123 HydrophobicContact CG2-CD2 4.18Å; I84-L123 HydrophobicContact CG2-CG 4.46Å; A92-L123 HydrophobicContact CB-CD2 3.77Å; C117-L123 VanDerWaalsContact SG-CD1 3.55Å; G121-L123 PolarHBondContact O-N 3.21Å; L123-R125 PolarHBondContact O-N 2.92Å; L123-H126 CarbonylContact O-C 3.6Å; L123-H126 PolarHBondContact O-N 3.37Å; L123-G127 PolarHBondContact O-N 3.38Å; L123-L130 HydrophobicContact CD1-CD2 4.32Å; L123-I162 HydrophobicContact CB-CG2 3.89Å
124C69.8Low84.6Confident87 Ų8755 Ų5559%0.58829%0.289SS*.G310 helixtrans-55.5-38.1-177.1-62.40000112.9G122 H126 G127G122-C124 PolarHBondContact O-N 3.5Å; G122-C124 VanDerWaalsContact O-N 3.09Å; C124-H126 VanDerWaalsContact C-N 3.25Å; C124-H126 PolarHBondContact O-N 2.77Å; C124-G127 PolarHBondContact O-N 3Å
125R78.3Confident84.6Confident231 Ų23158.3 Ų58.387%0.87230%0.299SS*.G310 helixtrans-69-23179.8-67.7-173.7179.1-173.9-0.1113.6L123L123-R125 PolarHBondContact O-N 2.92Å
126H83.2Confident84.6Confident55 Ų5560.8 Ų60.826%0.25531%0.312SS..G310 helixtrans-111.614.2178.5-58.4-66.4000112A92 L123 C124 E128 N129 L130A92-H126 HydrophobicContact CB-CB 3.89Å; L123-H126 CarbonylContact O-C 3.6Å; L123-H126 PolarHBondContact O-N 3.37Å; C124-H126 VanDerWaalsContact C-N 3.25Å; C124-H126 PolarHBondContact O-N 2.77Å; H126-E128 VanDerWaalsContact C-N 3.32Å; H126-E128 PolarHBondContact O-N 2.77Å; H126-N129 PolarHBondContact O-N 2.77Å; H126-L130 WeakPolarHBondContact O-CB 3.42Å; H126-L130 PolarHBondContact O-N 2.96Å
127G87.1Confident84.9Confident9 Ų958.5 Ų58.59%0.09330%0.301CS..Hα-helixtrans-62-37.3-17100000113.3L123 C124 A131L123-G127 PolarHBondContact O-N 3.38Å; C124-G127 PolarHBondContact O-N 3Å; G127-A131 VanDerWaalsContact O-CB 3.28Å; G127-A131 WeakPolarHBondContact O-CB 3.24Å; G127-A131 PolarHBondContact O-N 2.82Å
128E89.2Confident85.2Confident132 Ų13258.2 Ų58.262%0.61730%0.299SS*.Hα-helixtrans-70-47.5178.3-61.8-168.3150.900111.8H126 L130 A131 L132H126-E128 VanDerWaalsContact C-N 3.32Å; H126-E128 PolarHBondContact O-N 2.77Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 3.3Å; E128-A131 WeakPolarHBondContact O-CB 2.9Å; E128-A131 PolarHBondContact O-N 3.32Å; E128-L132 WeakPolarHBondContact O-CG 3.39Å; E128-L132 PolarHBondContact O-N 3Å
129N91.9Very high85.7Confident86 Ų8659.3 Ų59.346%0.4630%0.303SS..Hα-helixtrans-62.1-42.9177.5-66.2-15.3000111.6M96 H126 A131 L132 C133M96-N129 HydrophobicContact SD-CB 3.53Å; M96-N129 VanDerWaalsContact SD-CB 3.53Å; H126-N129 PolarHBondContact O-N 2.77Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 3.25Å; N129-L132 WeakPolarHBondContact O-CB 3.24Å; N129-L132 PolarHBondContact O-N 2.87Å; N129-L132 VanDerWaalsContact O-N 3.13Å; N129-C133 PolarHBondContact O-N 2.84Å; N129-C133 PolarHBondContact O-SG 2.69Å
130L91.8Very high86.6Confident1 Ų155.2 Ų55.21%0.00528%0.283CS..Hα-helixtrans-63.6-39.2176.2-178.956.9000111.5I84 T95 M96 L99 L123 H126 E128 L132 C133 I134 I162I84-L130 HydrophobicContact CD1-CD2 4.39Å; T95-L130 HydrophobicContact CG2-CD1 3.74Å; M96-L130 HydrophobicContact CG-CB 4.25Å; M96-L130 HydrophobicContact CG-CD1 3.9Å; M96-L130 HydrophobicContact SD-CB 4.45Å; L99-L130 HydrophobicContact CD1-CD1 3.55Å; L123-L130 HydrophobicContact CD1-CD2 4.32Å; H126-L130 WeakPolarHBondContact O-CB 3.42Å; H126-L130 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 3.3Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.04Å; L130-C133 PolarHBondContact O-N 2.62Å; L130-I134 HydrophobicContact CG-CD1 4.32Å; L130-I134 VanDerWaalsContact O-CG1 3.3Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.93Å; L130-I162 HydrophobicContact CB-CD1 3.81Å; L130-I162 HydrophobicContact CD2-CD1 3.67Å; L130-I162 HydrophobicContact CD2-CG2 4.24Å; L130-I162 HydrophobicContact CG-CD1 3.56Å
131A93.6Very high87.8Confident1 Ų148.8 Ų48.81%0.00825%0.254CS..Hα-helixtrans-64.4-34.4173.700000112.5G127 E128 N129 I134 R135 I162 Y165 V168G127-A131 VanDerWaalsContact O-CB 3.28Å; G127-A131 WeakPolarHBondContact O-CB 3.24Å; G127-A131 PolarHBondContact O-N 2.82Å; E128-A131 WeakPolarHBondContact O-CB 2.9Å; E128-A131 PolarHBondContact O-N 3.32Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 3.25Å; A131-I134 PolarHBondContact O-N 2.97Å; A131-R135 WeakPolarHBondContact O-CB 3.31Å; A131-R135 PolarHBondContact O-N 2.89Å; A131-I162 HydrophobicContact CB-CD1 4.37Å; A131-Y165 HydrophobicContact CB-CD1 4.44Å; A131-Y165 HydrophobicContact CB-CE1 3.73Å; A131-V168 HydrophobicContact CB-CG2 4.26Å
132L94.9Very high89.4Confident67 Ų6748 Ų4835%0.35124%0.243SC..Hα-helixtrans-67.2-41.4172.8-69.4173.7000112.4E128 N129 L130 I134 R135 N136E128-L132 WeakPolarHBondContact O-CG 3.39Å; E128-L132 PolarHBondContact O-N 3Å; N129-L132 WeakPolarHBondContact O-CB 3.24Å; N129-L132 PolarHBondContact O-N 2.87Å; N129-L132 VanDerWaalsContact O-N 3.13Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.04Å; L132-I134 VanDerWaalsContact C-N 3.32Å; L132-I134 PolarHBondContact O-N 3.42Å; L132-R135 WeakPolarHBondContact O-CB 3.27Å; L132-R135 PolarHBondContact O-N 3.29Å; L132-N136 PolarHBondContact O-N 2.85Å
133C95.9Very high90.9Very high18 Ų1851.8 Ų51.812%0.12226%0.255CS..Hα-helixtrans-62.5-40.3174.1-66.80000111.8M96 L99 N129 L130 N136 F137M96-C133 HydrophobicContact CG-CB 4.47Å; L99-C133 HydrophobicContact CB-CB 4.15Å; L99-C133 HydrophobicContact CD1-CB 4.19Å; N129-C133 PolarHBondContact O-N 2.84Å; N129-C133 PolarHBondContact O-SG 2.69Å; L130-C133 PolarHBondContact O-N 2.62Å; C133-N136 WeakPolarHBondContact O-CB 3.48Å; C133-N136 PolarHBondContact O-N 3.31Å; C133-F137 PolarHBondContact O-N 2.92Å
134I96.6Very high91.7Very high0 Ų055.8 Ų55.80%028%0.283CS..Hα-helixtrans-63.8-43.6174-68.1166.7000110.7L99 I115 L130 A131 L132 N136 F137 F138 M160 I162 V168L99-I134 HydrophobicContact CD1-CG1 3.78Å; I115-I134 HydrophobicContact CD1-CD1 3.72Å; I115-I134 HydrophobicContact CD1-CG1 3.76Å; L130-I134 HydrophobicContact CG-CD1 4.32Å; L130-I134 VanDerWaalsContact O-CG1 3.3Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.93Å; A131-I134 PolarHBondContact O-N 2.97Å; L132-I134 VanDerWaalsContact C-N 3.32Å; L132-I134 PolarHBondContact O-N 3.42Å; I134-N136 VanDerWaalsContact C-N 3.33Å; I134-N136 PolarHBondContact O-N 3.39Å; I134-F137 WeakPolarHBondContact O-CB 3.38Å; I134-F137 PolarHBondContact O-N 2.76Å; I134-F138 HydrophobicContact CG2-CD2 3.82Å; I134-F138 HydrophobicContact CG2-CE2 3.26Å; I134-F138 HydrophobicContact CG2-CZ 3.71Å; I134-F138 WeakPolarHBondContact O-CD2 3.34Å; I134-F138 WeakPolarHBondContact O-CG 3.27Å; I134-F138 PolarHBondContact O-N 2.61Å; I134-F138 VanDerWaalsContact O-N 3.08Å; I134-M160 HydrophobicContact CD1-CE 3.2Å; I134-M160 HydrophobicContact CD1-SD 4.22Å; I134-I162 HydrophobicContact CD1-CD1 4.21Å; I134-V168 HydrophobicContact CG2-CG1 3.95Å
135R97.3Very high92.9Very high96 Ų9655.8 Ų55.836%0.36227%0.272SS..Hα-helixtrans-59.1-45174.1-170.9-175.770.9177.52.7111.2A131 L132 F137 F138 D139 V168 T171A131-R135 WeakPolarHBondContact O-CB 3.31Å; A131-R135 PolarHBondContact O-N 2.89Å; L132-R135 WeakPolarHBondContact O-CB 3.27Å; L132-R135 PolarHBondContact O-N 3.29Å; R135-F137 VanDerWaalsContact C-N 3.29Å; R135-F137 PolarHBondContact O-N 2.98Å; R135-F138 CarbonylContact O-C 3.5Å; R135-F138 PolarHBondContact O-N 3.3Å; R135-F138 VanDerWaalsContact O-N 3.1Å; R135-D139 WeakPolarHBondContact O-CB 3.07Å; R135-D139 PolarHBondContact O-N 2.9Å; R135-V168 HydrophobicContact CB-CG1 4.25Å; R135-V168 HydrophobicContact CB-CG2 4.25Å; R135-T171 HydrophobicContact CG-CG2 4.03Å
136N96.8Very high93.7Very high52 Ų5246.8 Ų46.828%0.27825%0.251SS..Hα-helixtrans-58.1-42.2176.9-173.957.6000111.6L132 C133 I134 F138 D139L132-N136 PolarHBondContact O-N 2.85Å; C133-N136 WeakPolarHBondContact O-CB 3.48Å; C133-N136 PolarHBondContact O-N 3.31Å; I134-N136 VanDerWaalsContact C-N 3.33Å; I134-N136 PolarHBondContact O-N 3.39Å; N136-F138 VanDerWaalsContact C-N 3.33Å; N136-F138 PolarHBondContact O-N 2.93Å; N136-D139 WeakPolarHBondContact O-CB 3.41Å; N136-D139 PolarHBondContact O-N 3.1Å
137F97.6Very high94.1Very high0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-59.1-44.2174.6-176-85.5000112.3L102 A103 R108 I110 L113 C133 I134 R135 D139 L152L102-F137 HydrophobicContact CB-CD2 4.25Å; L102-F137 HydrophobicContact CB-CE2 3.97Å; A103-F137 HydrophobicContact CB-CB 4.14Å; A103-F137 HydrophobicContact CB-CD2 3.97Å; A103-F137 HydrophobicContact CB-CG 4.47Å; R108-F137 PolarHBondContact NH1-O 3.22Å; R108-F137 PolarHBondContact NH2-O 2.78Å; I110-F137 HydrophobicContact CB-CZ 4.38Å; I110-F137 HydrophobicContact CD1-CE2 4Å; I110-F137 HydrophobicContact CD1-CZ 4.01Å; I110-F137 HydrophobicContact CG2-CZ 4.1Å; L113-F137 HydrophobicContact CB-CE1 4.47Å; L113-F137 HydrophobicContact CD2-CD1 3.77Å; L113-F137 HydrophobicContact CD2-CE1 3.75Å; L113-F137 HydrophobicContact CD2-CG 4.49Å; L113-F137 HydrophobicContact CD2-CZ 4.46Å; C133-F137 PolarHBondContact O-N 2.92Å; I134-F137 WeakPolarHBondContact O-CB 3.38Å; I134-F137 PolarHBondContact O-N 2.76Å; R135-F137 VanDerWaalsContact C-N 3.29Å; R135-F137 PolarHBondContact O-N 2.98Å; F137-D139 VanDerWaalsContact C-N 3.32Å; F137-L152 HydrophobicContact CE1-CD1 4.02Å; F137-L152 HydrophobicContact CE1-CD2 4.1Å
138F97.8Very high94.5Very high0 Ų054.9 Ų54.90%029%0.292CS..Hα-helixtrans-74.1-17.9177.4-63-29.4000114.4L113 I134 R135 N136 K140 L152 V155 V168 T171 L172 N175 H176L113-F138 HydrophobicContact CD2-CE1 3.79Å; L113-F138 HydrophobicContact CD2-CZ 4.21Å; I134-F138 HydrophobicContact CG2-CD2 3.82Å; I134-F138 HydrophobicContact CG2-CE2 3.26Å; I134-F138 HydrophobicContact CG2-CZ 3.71Å; I134-F138 WeakPolarHBondContact O-CD2 3.34Å; I134-F138 WeakPolarHBondContact O-CG 3.27Å; I134-F138 PolarHBondContact O-N 2.61Å; I134-F138 VanDerWaalsContact O-N 3.08Å; R135-F138 CarbonylContact O-C 3.5Å; R135-F138 PolarHBondContact O-N 3.3Å; R135-F138 VanDerWaalsContact O-N 3.1Å; N136-F138 VanDerWaalsContact C-N 3.33Å; N136-F138 PolarHBondContact O-N 2.93Å; F138-K140 VanDerWaalsContact C-N 3.26Å; F138-K140 PolarHBondContact O-N 2.9Å; F138-L152 HydrophobicContact CD1-CD1 3.71Å; F138-L152 HydrophobicContact CE1-CD1 3.83Å; F138-V155 HydrophobicContact CE1-CG1 4.33Å; F138-V155 HydrophobicContact CE1-CG2 4.28Å; F138-V155 HydrophobicContact CZ-CG1 3.9Å; F138-V168 HydrophobicContact CD2-CG1 4.15Å; F138-V168 HydrophobicContact CE2-CG1 4.22Å; F138-T171 HydrophobicContact CB-CG2 3.96Å; F138-L172 HydrophobicContact CB-CB 4.28Å; F138-L172 HydrophobicContact CD1-CB 4.49Å; F138-L172 HydrophobicContact CD1-CD1 3.75Å; F138-L172 HydrophobicContact CD2-CB 3.69Å; F138-L172 HydrophobicContact CD2-CD1 4.38Å; F138-L172 HydrophobicContact CD2-CG 4.45Å; F138-L172 HydrophobicContact CE1-CD1 3.86Å; F138-L172 HydrophobicContact CE2-CB 4.08Å; F138-L172 HydrophobicContact CE2-CD1 4.45Å; F138-L172 HydrophobicContact CE2-CD2 4.22Å; F138-L172 HydrophobicContact CE2-CG 4.48Å; F138-L172 HydrophobicContact CG-CB 3.93Å; F138-L172 HydrophobicContact CG-CD1 4.04Å; F138-L172 HydrophobicContact CZ-CD1 4.22Å; F138-L172 HydrophobicContact CZ-CD2 4.27Å; F138-N175 WeakPolarHBondContact O-CB 3.33Å; F138-N175 PolarHBondContact O-ND2 2.86Å; F138-H176 PolarHBondContact O-NE2 3.38Å
139D96.8Very high94.8Very high88 Ų8849 Ų4947%0.47126%0.264SS..Hα-helixtrans-70.5-27.6-176.5-159.753.3000112.2R135 N136 F137 S141 T171 N175R135-D139 WeakPolarHBondContact O-CB 3.07Å; R135-D139 PolarHBondContact O-N 2.9Å; N136-D139 WeakPolarHBondContact O-CB 3.41Å; N136-D139 PolarHBondContact O-N 3.1Å; F137-D139 VanDerWaalsContact C-N 3.32Å; D139-S141 PolarHBondContact O-N 3.36Å; D139-T171 HydrophobicContact CB-CG2 3.96Å; D139-N175 VanDerWaalsContact CA-ND2 3.29Å; D139-N175 WeakPolarHBondContact CA-ND2 3.29Å; D139-N175 PolarHBondContact O-ND2 3.24Å
140K94.2Very high95Very high27 Ų2746 Ų4612%0.11725%0.252CS..  trans-79.8115.7179.2-48.8-76-177.5156.80110.2E104 R108 F138 Y145 L149 H176E104-K140 WeakPolarHBondContact OE1-CE 3.47Å; E104-K140 IonicContact OE1-NZ 2.87Å; E104-K140 PolarHBondContact OE1-NZ 3.35Å; E104-K140 IonicContact OE2-NZ 2.78Å; E104-K140 PolarHBondContact OE2-NZ 3.13Å; R108-K140 PolarHBondContact NH2-O 3.17Å; F138-K140 VanDerWaalsContact C-N 3.26Å; F138-K140 PolarHBondContact O-N 2.9Å; K140-Y145 HydrophobicContact CB-CD2 4.49Å; K140-Y145 HydrophobicContact CB-CE2 4.09Å; K140-Y145 HydrophobicContact CD-CE2 3.75Å; K140-Y145 WeakPolarHBondContact CD-OH 3.14Å; K140-Y145 PolarHBondContact NZ-OH 2.87Å; K140-L149 HydrophobicContact CB-CD1 3.5Å; K140-H176 PolarHBondContact O-CE1 3.3Å; K140-H176 PolarHBondContact O-NE2 3.28Å
141S93Very high95.2Very high3 Ų346.4 Ų46.42%0.02126%0.256CS..  trans-114151.9-174.284.20000113.4D139 N143 S144 Y145D139-S141 PolarHBondContact O-N 3.36Å; S141-N143 PolarHBondContact O-N 3.29Å; S141-N143 PolarHBondContact OG-N 2.94Å; S141-S144 PolarHBondContact O-N 3.31Å; S141-S144 VanDerWaalsContact O-N 3.1Å; S141-S144 PolarHBondContact OG-N 3.33Å; S141-S144 VanDerWaalsContact OG-N 3.1Å; S141-S144 PolarHBondContact OG-OG 3.13Å; S141-Y145 WeakPolarHBondContact O-CD2 2.87Å; S141-Y145 PolarHBondContact O-N 2.9Å; S141-Y145 VanDerWaalsContact O-N 3.15Å
142P93.9Very high95.5Very high17 Ų1746.4 Ų46.411%0.1126%0.256CS..Hα-helixtrans-60.5-26.8169.8-20.230.8000112.8S144 G146 L149 G151 W179P142-S144 PolarHBondContact O-N 3.13Å; P142-G146 VanDerWaalsContact O-CA 3.31Å; P142-G146 WeakPolarHBondContact O-CA 3.22Å; P142-G146 PolarHBondContact O-N 3.23Å; P142-L149 WeakPolarHBondContact CB-O 3.47Å; P142-L149 HydrophobicContact CG-CD2 3.79Å; P142-G151 VanDerWaalsContact CG-CA 3.46Å; P142-W179 HydrophobicContact CB-CH2 3.51Å; P142-W179 HydrophobicContact CB-CZ2 3.61Å; P142-W179 HydrophobicContact CB-CZ3 4.31Å; P142-W179 HydrophobicContact CG-CD2 4.42Å; P142-W179 HydrophobicContact CG-CE3 4.19Å; P142-W179 HydrophobicContact CG-CH2 3.41Å; P142-W179 VanDerWaalsContact CG-CH2 3.41Å; P142-W179 HydrophobicContact CG-CZ2 3.69Å; P142-W179 HydrophobicContact CG-CZ3 3.73Å
143N93Very high95.6Very high112 Ų11245.9 Ų45.960%0.59925%0.253SS*.Hα-helixtrans-65.4-30.4176.4-65.6-20.8000111.8S141 W179S141-N143 PolarHBondContact O-N 3.29Å; S141-N143 PolarHBondContact OG-N 2.94Å; N143-W179 WeakPolarHBondContact OD1-CH2 3.46Å
144S93.9Very high95.8Very high89 Ų8950.5 Ų50.562%0.62227%0.268SS*.Hα-helixtrans-89.8-30.1179.6-51.30000113.4S141 P142S141-S144 PolarHBondContact O-N 3.31Å; S141-S144 VanDerWaalsContact O-N 3.1Å; S141-S144 PolarHBondContact OG-N 3.33Å; S141-S144 VanDerWaalsContact OG-N 3.1Å; S141-S144 PolarHBondContact OG-OG 3.13Å; P142-S144 PolarHBondContact O-N 3.13Å
145Y95Very high95.9Very high87 Ų8750.6 Ų50.634%0.34127%0.269SS..Hα-helixtrans-115.9-0.1-171.7-68-90.8000114.3L106 K140 S141 N147 Q148 L149L106-Y145 HydrophobicContact CD1-CD1 4.11Å; L106-Y145 HydrophobicContact CD1-CE1 4.16Å; L106-Y145 HydrophobicContact CD2-CD1 3.88Å; L106-Y145 HydrophobicContact CD2-CE1 4.42Å; L106-Y145 HydrophobicContact CD2-CG 4.43Å; K140-Y145 HydrophobicContact CB-CD2 4.49Å; K140-Y145 HydrophobicContact CB-CE2 4.09Å; K140-Y145 HydrophobicContact CD-CE2 3.75Å; K140-Y145 WeakPolarHBondContact CD-OH 3.14Å; K140-Y145 PolarHBondContact NZ-OH 2.87Å; S141-Y145 WeakPolarHBondContact O-CD2 2.87Å; S141-Y145 PolarHBondContact O-N 2.9Å; S141-Y145 VanDerWaalsContact O-N 3.15Å; Y145-N147 PolarHBondContact O-N 3.04Å; Y145-Q148 WeakPolarHBondContact O-CB 3.35Å; Y145-Q148 PolarHBondContact O-N 3.2Å; Y145-L149 HydrophobicContact CD2-CD1 3.9Å; Y145-L149 HydrophobicContact CG-CB 4.46Å; Y145-L149 HydrophobicContact CG-CD1 4.21Å
146G94.1Very high95.9Very high43 Ų4348.2 Ų48.244%0.44326%0.263SS..G310 helixtrans58.1-134.6179.700000112.9P142 Q148 L149P142-G146 VanDerWaalsContact O-CA 3.31Å; P142-G146 WeakPolarHBondContact O-CA 3.22Å; P142-G146 PolarHBondContact O-N 3.23Å; G146-Q148 PolarHBondContact O-N 3.5Å; G146-L149 PolarHBondContact O-N 2.87Å
147N91.9Very high95.9Very high150 Ų15045.8 Ų45.880%0.80225%0.25SC*.G310 helixtrans-70.8-8.3-178.969.7-4.2000114.5Y145 L149Y145-N147 PolarHBondContact O-N 3.04Å; N147-L149 PolarHBondContact O-N 3.25Å
148Q95.4Very high95.7Very high84 Ų8446.7 Ų46.739%0.39326%0.256SS..G310 helixtrans-76.2-13.5176.5-60.9-62.7-43.400112.2L106 P107 R108 Y145 G146L106-Q148 HydrophobicContact CD2-CB 3.99Å; P107-Q148 CarbonylContact C-O 3.43Å; P107-Q148 VanDerWaalsContact CA-O 3.23Å; P107-Q148 WeakPolarHBondContact CA-O 3.22Å; R108-Q148 PolarHBondContact N-O 2.83Å; Y145-Q148 WeakPolarHBondContact O-CB 3.35Å; Y145-Q148 PolarHBondContact O-N 3.2Å; G146-Q148 PolarHBondContact O-N 3.5Å
149L96.4Very high95.3Very high7 Ų747.7 Ų47.74%0.03726%0.264CS..BIsolated β-bridgetrans-134.6119.8-177.9-164.2151.3000111.2R108 K140 P142 Y145 G146 N147R108-L149 HydrophobicContact CB-CG 4.29Å; K140-L149 HydrophobicContact CB-CD1 3.5Å; P142-L149 WeakPolarHBondContact CB-O 3.47Å; P142-L149 HydrophobicContact CG-CD2 3.79Å; Y145-L149 HydrophobicContact CD2-CD1 3.9Å; Y145-L149 HydrophobicContact CG-CB 4.46Å; Y145-L149 HydrophobicContact CG-CD1 4.21Å; G146-L149 PolarHBondContact O-N 2.87Å; N147-L149 PolarHBondContact O-N 3.25Å
150A96.1Very high95Very high25 Ų2543.5 Ų43.521%0.20724%0.241CC..PPolyproline II helixtrans-76.6141.7172.900000111.4R108 Q111R108-A150 PolarHBondContact O-N 2.93Å; Q111-A150 HydrophobicContact CG-CB 4.07Å
151G96.1Very high94.7Very high9 Ų942.9 Ų42.99%0.09324%0.24CC..PPolyproline II helixtrans-67141171.200000111.5P142 L153P142-G151 VanDerWaalsContact CG-CA 3.46Å; G151-L153 PolarHBondContact O-N 3.23Å
152L98.3Very high94.4Very high0 Ų042.9 Ų42.90%024%0.239CC..PPolyproline II helixtrans-69.1125.7172.2-66.4175000109.7I110 F137 F138 V155 L172 H176 W179 L180I110-L152 HydrophobicContact CG2-CD2 4.24Å; I110-L152 WeakPolarHBondContact O-CD2 3.19Å; F137-L152 HydrophobicContact CE1-CD1 4.02Å; F137-L152 HydrophobicContact CE1-CD2 4.1Å; F138-L152 HydrophobicContact CD1-CD1 3.71Å; F138-L152 HydrophobicContact CE1-CD1 3.83Å; L152-V155 HydrophobicContact CB-CG2 4.31Å; L152-V155 HydrophobicContact CD1-CG2 3.98Å; L152-L172 HydrophobicContact CD1-CD1 4.04Å; L152-H176 HydrophobicContact CB-CB 4.1Å; L152-H176 PolarHBondContact N-ND1 2.91Å; L152-W179 CarbonylContact O-C 3.55Å; L152-L180 HydrophobicContact CB-CD2 4.03Å; L152-L180 VanDerWaalsContact O-CD2 3.29Å; L152-L180 WeakPolarHBondContact O-CD2 3.48Å; L152-L180 PolarHBondContact O-N 2.82Å
153L98.4Very high93.9Very high56 Ų5643.2 Ų43.229%0.29324%0.242SC..  trans-94.6-35.3174-57.9-179.1000111.3Q111 G151 W179 T181 H182Q111-L153 HydrophobicContact CB-CB 4.45Å; Q111-L153 HydrophobicContact CB-CD1 4.07Å; Q111-L153 HydrophobicContact CB-CG 4.05Å; Q111-L153 HydrophobicContact CG-CD1 4.26Å; Q111-L153 HydrophobicContact CG-CG 4.35Å; Q111-L153 WeakPolarHBondContact O-CA 2.97Å; Q111-L153 PolarHBondContact O-N 3.21Å; G151-L153 PolarHBondContact O-N 3.23Å; L153-W179 HydrophobicContact CD2-CB 4.1Å; L153-W179 VanDerWaalsContact CD2-O 3.22Å; L153-W179 WeakPolarHBondContact CD2-O 3.43Å; L153-T181 PolarHBondContact O-N 2.91Å; L153-T181 PolarHBondContact O-OG1 3.37Å; L153-H182 PolarHBondContact O-N 2.84Å; L153-H182 VanDerWaalsContact O-N 3.09Å
154R98.7Very high93.7Very high115 Ų11538.1 Ų38.143%0.43422%0.215SC..EExtended strand (participates in β ladder)trans-136132.2-176-52.8-167.1167177.9-5.4112.5Q111 C112 L113 H182Q111-R154 PolarHBondContact O-N 3.41Å; C112-R154 CarbonylContact C-O 3.48Å; C112-R154 VanDerWaalsContact CA-O 3.3Å; C112-R154 WeakPolarHBondContact CA-O 3.39Å; C112-R154 HydrophobicContact CB-CB 4.11Å; L113-R154 PolarHBondContact N-O 3.37Å; R154-H182 CarbonylContact C-O 3.54Å; R154-H182 VanDerWaalsContact CA-O 3.24Å; R154-H182 WeakPolarHBondContact CA-O 3.33Å; R154-H182 HydrophobicContact CB-CB 4.17Å; R154-H182 HydrophobicContact CG-CB 3.8Å; R154-H182 PolarHBondContact NE-ND1 3.41Å; R154-H182 PolarHBondContact NH2-CE1 3.47Å; R154-H182 VanDerWaalsContact NH2-CE1 3.31Å; R154-H182 PolarHBondContact NH2-NE2 3.36Å
155V98.5Very high93.6Very high3 Ų335.8 Ų35.82%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-133.3125174.3176.30000109.7L113 F138 L152 L157 L172 L180 H182 V183 N184L113-V155 WeakPolarHBondContact O-CA 3.32Å; F138-V155 HydrophobicContact CE1-CG1 4.33Å; F138-V155 HydrophobicContact CE1-CG2 4.28Å; F138-V155 HydrophobicContact CZ-CG1 3.9Å; L152-V155 HydrophobicContact CB-CG2 4.31Å; L152-V155 HydrophobicContact CD1-CG2 3.98Å; V155-L157 HydrophobicContact CG1-CD1 4.32Å; V155-L157 HydrophobicContact CG1-CD2 4.22Å; V155-L157 HydrophobicContact CG1-CG 3.94Å; V155-L172 HydrophobicContact CB-CD2 4.37Å; V155-L172 HydrophobicContact CG1-CD2 4.14Å; V155-L172 HydrophobicContact CG2-CD1 3.93Å; V155-L172 HydrophobicContact CG2-CD2 4.36Å; V155-L180 HydrophobicContact CG2-CD2 3.94Å; V155-H182 PolarHBondContact N-O 2.67Å; V155-V183 WeakPolarHBondContact O-CA 3.34Å; V155-N184 PolarHBondContact O-N 3.45Å
156D98.1Very high93.7Very high45 Ų4533 Ų3324%0.24118%0.184CC..EExtended strand (participates in β ladder)trans-127.7112.5176.5-173.7-4.9000111.5L113 T114 I115 S158 N184L113-D156 PolarHBondContact O-N 3.22Å; T114-D156 WeakPolarHBondContact CA-O 3.49Å; T114-D156 HydrophobicContact CG2-CB 4.07Å; I115-D156 PolarHBondContact N-O 3.05Å; D156-S158 VanDerWaalsContact OD1-CB 3.24Å; D156-S158 WeakPolarHBondContact OD1-CB 3.41Å; D156-S158 PolarHBondContact OD1-N 2.8Å; D156-S158 PolarHBondContact OD1-OG 3.09Å; D156-N184 HydrophobicContact CB-CB 4.32Å; D156-N184 PolarHBondContact OD1-ND2 3.07Å
157L95.8Very high93.8Very high1 Ų133.8 Ų33.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-116.514.4178.8-54.1-177.2000111.6I115 V155 S159 M160 V164 N184 L185 N187I115-L157 HydrophobicContact CB-CD2 4.21Å; I115-L157 HydrophobicContact CD1-CD2 4.05Å; I115-L157 HydrophobicContact CG1-CD2 4.18Å; V155-L157 HydrophobicContact CG1-CD1 4.32Å; V155-L157 HydrophobicContact CG1-CD2 4.22Å; V155-L157 HydrophobicContact CG1-CG 3.94Å; L157-S159 VanDerWaalsContact C-N 3.28Å; L157-S159 PolarHBondContact O-N 2.92Å; L157-M160 HydrophobicContact CB-CG 4.12Å; L157-M160 HydrophobicContact CB-SD 3.78Å; L157-M160 HydrophobicContact CD1-SD 4.38Å; L157-M160 HydrophobicContact CD2-CG 4.46Å; L157-M160 HydrophobicContact CD2-SD 3.89Å; L157-M160 HydrophobicContact CG-SD 4.21Å; L157-M160 WeakPolarHBondContact O-CA 3.27Å; L157-M160 WeakPolarHBondContact O-CG 3.44Å; L157-M160 PolarHBondContact O-N 3.41Å; L157-V164 HydrophobicContact CD1-CG2 4.31Å; L157-N184 PolarHBondContact N-O 3.14Å; L157-L185 HydrophobicContact CD1-CD2 4.14Å; L157-N187 VanDerWaalsContact O-CB 3.32Å; L157-N187 WeakPolarHBondContact O-CB 3.41Å
158S93.7Very high93.9Very high19 Ų1926.7 Ų26.713%0.13314%0.143CC..EExtended strand (participates in β ladder)trans-65.7-28-173.858.20000114.7D156 M160 N184 Q186 N187 R188D156-S158 VanDerWaalsContact OD1-CB 3.24Å; D156-S158 WeakPolarHBondContact OD1-CB 3.41Å; D156-S158 PolarHBondContact OD1-N 2.8Å; D156-S158 PolarHBondContact OD1-OG 3.09Å; S158-M160 PolarHBondContact O-N 3.27Å; S158-N184 VanDerWaalsContact CB-ND2 3.27Å; S158-N184 WeakPolarHBondContact CB-ND2 3.11Å; S158-N184 PolarHBondContact OG-ND2 3.43Å; S158-Q186 WeakPolarHBondContact CA-O 3.26Å; S158-Q186 VanDerWaalsContact O-O 3.13Å; S158-N187 CarbonylContact O-C 3.54Å; S158-N187 WeakPolarHBondContact O-CA 3.47Å; S158-R188 WeakPolarHBondContact O-CG 3.32Å
159S90.9Very high93.9Very high22 Ų2222.9 Ų22.915%0.15413%0.125CC..EExtended strand (participates in β ladder)trans-85.69.2174.4-67.90000112.3C117 L157 T161C117-S159 WeakPolarHBondContact CB-O 3.24Å; C117-S159 PolarHBondContact N-O 2.65Å; C117-S159 PolarHBondContact SG-O 3.28Å; L157-S159 VanDerWaalsContact C-N 3.28Å; L157-S159 PolarHBondContact O-N 2.92Å; S159-T161 PolarHBondContact O-N 3.47Å
160M90.4Very high94Very high0 Ų024.1 Ų24.10%013%0.131CC..  trans-52105.817665.998.969.700114.7I115 I134 L157 S158 I162 V164 R188I115-M160 HydrophobicContact CB-CG 4.07Å; I115-M160 HydrophobicContact CD1-CE 4.5Å; I115-M160 HydrophobicContact CG2-CE 4.08Å; I115-M160 HydrophobicContact CG2-CG 4.01Å; I134-M160 HydrophobicContact CD1-CE 3.2Å; I134-M160 HydrophobicContact CD1-SD 4.22Å; L157-M160 HydrophobicContact CB-CG 4.12Å; L157-M160 HydrophobicContact CB-SD 3.78Å; L157-M160 HydrophobicContact CD1-SD 4.38Å; L157-M160 HydrophobicContact CD2-CG 4.46Å; L157-M160 HydrophobicContact CD2-SD 3.89Å; L157-M160 HydrophobicContact CG-SD 4.21Å; L157-M160 WeakPolarHBondContact O-CA 3.27Å; L157-M160 WeakPolarHBondContact O-CG 3.44Å; L157-M160 PolarHBondContact O-N 3.41Å; S158-M160 PolarHBondContact O-N 3.27Å; M160-I162 VanDerWaalsContact C-N 3.28Å; M160-I162 HydrophobicContact CE-CD1 3.37Å; M160-I162 HydrophobicContact CE-CG1 3.53Å; M160-I162 PolarHBondContact O-N 2.86Å; M160-I162 HydrophobicContact SD-CG1 4.35Å; M160-V164 HydrophobicContact SD-CG2 4.03Å; M160-R188 PolarHBondContact O-N 2.84Å
161T87.3Confident94.1Very high14 Ų1423.9 Ų23.99%0.08613%0.128CC..  trans-57-15.8158.4145.10000118.6C117 S159 R188 Q189C117-T161 HydrophobicContact CB-CG2 3.76Å; C117-T161 PolarHBondContact SG-N 3.36Å; S159-T161 PolarHBondContact O-N 3.47Å; T161-R188 HydrophobicContact CG2-CB 4.14Å; T161-Q189 PolarHBondContact O-NE2 2.88Å
162I86.5Confident94.1Very high2 Ų223.5 Ų23.51%0.0112%0.123CC..SBendtrans-128.8158-165.275-177.8000111.2L123 L130 A131 I134 M160 V164 Q189L123-I162 HydrophobicContact CB-CG2 3.89Å; L130-I162 HydrophobicContact CB-CD1 3.81Å; L130-I162 HydrophobicContact CD2-CD1 3.67Å; L130-I162 HydrophobicContact CD2-CG2 4.24Å; L130-I162 HydrophobicContact CG-CD1 3.56Å; A131-I162 HydrophobicContact CB-CD1 4.37Å; I134-I162 HydrophobicContact CD1-CD1 4.21Å; M160-I162 VanDerWaalsContact C-N 3.28Å; M160-I162 HydrophobicContact CE-CD1 3.37Å; M160-I162 HydrophobicContact CE-CG1 3.53Å; M160-I162 PolarHBondContact O-N 2.86Å; M160-I162 HydrophobicContact SD-CG1 4.35Å; I162-V164 PolarHBondContact O-N 2.76Å; I162-Q189 VanDerWaalsContact O-CG 3.25Å; I162-Q189 WeakPolarHBondContact O-CG 3.31Å
163S83.7Confident94.1Very high24 Ų2423.5 Ų23.517%0.16812%0.123CC..  trans-79.2112.9-179.2-168.80000110.6R193S163-R193 WeakPolarHBondContact OG-CD 3.47Å; S163-R193 WeakPolarHBondContact OG-CG 3.44Å
164V87.7Confident94Very high6 Ų625 Ų254%0.03613%0.131CC..  trans-86.2134.6166.2-1680000108.5L157 M160 I162 V168 I169L157-V164 HydrophobicContact CD1-CG2 4.31Å; M160-V164 HydrophobicContact SD-CG2 4.03Å; I162-V164 PolarHBondContact O-N 2.76Å; V164-V168 HydrophobicContact CG1-CB 3.85Å; V164-V168 HydrophobicContact CG1-CG1 3.86Å; V164-V168 HydrophobicContact CG1-CG2 4.5Å; V164-I169 HydrophobicContact CG1-CD1 3.49Å; V164-I169 VanDerWaalsContact CG1-CD1 3.49Å; V164-I169 HydrophobicContact CG1-CG1 3.78Å
165Y93.1Very high93.9Very high39 Ų3921 Ų2115%0.15312%0.119CC..BIsolated β-bridgetrans-128.9167.8-172.258.3-80.1000110.9A131 P167 V168 I169A131-Y165 HydrophobicContact CB-CD1 4.44Å; A131-Y165 HydrophobicContact CB-CE1 3.73Å; Y165-P167 HydrophobicContact CD2-CB 4.04Å; Y165-P167 HydrophobicContact CD2-CG 3.7Å; Y165-P167 HydrophobicContact CE2-CB 3.71Å; Y165-P167 HydrophobicContact CE2-CG 3.67Å; Y165-V168 HydrophobicContact CD1-CG2 3.97Å; Y165-V168 HydrophobicContact CE1-CG2 3.61Å; Y165-V168 HydrophobicContact CE2-CG2 4.23Å; Y165-V168 HydrophobicContact CG-CG2 4.41Å; Y165-V168 PolarHBondContact O-N 3.27Å; Y165-I169 PolarHBondContact O-N 3.38Å
166D95.8Very high93.9Very high29 Ų2920.8 Ų20.816%0.15512%0.118CC..Hα-helixtrans-46.1-55.5-168.8-74.1-9.7000114.6V168 I169 M170 L194 T195 A198D166-V168 VanDerWaalsContact C-N 3.28Å; D166-V168 PolarHBondContact O-N 3.3Å; D166-V168 VanDerWaalsContact O-N 3.16Å; D166-I169 PolarHBondContact O-N 3.28Å; D166-I169 VanDerWaalsContact O-N 3.08Å; D166-M170 WeakPolarHBondContact O-CB 3.33Å; D166-M170 WeakPolarHBondContact O-CG 3.43Å; D166-M170 PolarHBondContact O-N 3.31Å; D166-L194 VanDerWaalsContact OD1-CA 3.22Å; D166-L194 WeakPolarHBondContact OD1-CA 3.32Å; D166-T195 PolarHBondContact OD1-N 2.87Å; D166-T195 VanDerWaalsContact OD2-CB 3.27Å; D166-T195 WeakPolarHBondContact OD2-CB 3.15Å; D166-T195 WeakPolarHBondContact OD2-CG2 3.13Å; D166-T195 PolarHBondContact OD2-OG1 2.94Å; D166-A198 HydrophobicContact CB-CB 3.84Å; D166-A198 WeakPolarHBondContact OD1-CB 3.05Å; D166-A198 WeakPolarHBondContact OD2-CB 3.27Å
167P96.1Very high93.8Very high59 Ų5918.8 Ų18.838%0.38311%0.107SC..Hα-helixtrans-46.2-43.2175-33.628.6000115.8Y165 T171Y165-P167 HydrophobicContact CD2-CB 4.04Å; Y165-P167 HydrophobicContact CD2-CG 3.7Å; Y165-P167 HydrophobicContact CE2-CB 3.71Å; Y165-P167 HydrophobicContact CE2-CG 3.67Å; P167-T171 WeakPolarHBondContact O-CB 3.33Å; P167-T171 PolarHBondContact O-N 2.76Å; P167-T171 PolarHBondContact O-OG1 2.87Å
168V95.8Very high93.8Very high1 Ų122.9 Ų22.91%0.00613%0.126CC..Hα-helixtrans-67-43.7-178.9-1750000110.8A131 I134 R135 F138 V164 Y165 D166 L172A131-V168 HydrophobicContact CB-CG2 4.26Å; I134-V168 HydrophobicContact CG2-CG1 3.95Å; R135-V168 HydrophobicContact CB-CG1 4.25Å; R135-V168 HydrophobicContact CB-CG2 4.25Å; F138-V168 HydrophobicContact CD2-CG1 4.15Å; F138-V168 HydrophobicContact CE2-CG1 4.22Å; V164-V168 HydrophobicContact CG1-CB 3.85Å; V164-V168 HydrophobicContact CG1-CG1 3.86Å; V164-V168 HydrophobicContact CG1-CG2 4.5Å; Y165-V168 HydrophobicContact CD1-CG2 3.97Å; Y165-V168 HydrophobicContact CE1-CG2 3.61Å; Y165-V168 HydrophobicContact CE2-CG2 4.23Å; Y165-V168 HydrophobicContact CG-CG2 4.41Å; Y165-V168 PolarHBondContact O-N 3.27Å; D166-V168 VanDerWaalsContact C-N 3.28Å; D166-V168 PolarHBondContact O-N 3.3Å; D166-V168 VanDerWaalsContact O-N 3.16Å; V168-L172 PolarHBondContact O-N 3.29Å; V168-L172 VanDerWaalsContact O-N 3.17Å
169I95.4Very high94Very high4 Ų425.3 Ų25.32%0.02113%0.133CC..Hα-helixtrans-73.5-38-179-63.2-50.9000111.7V164 Y165 D166 L172 F173 L185 L194 M199V164-I169 HydrophobicContact CG1-CD1 3.49Å; V164-I169 VanDerWaalsContact CG1-CD1 3.49Å; V164-I169 HydrophobicContact CG1-CG1 3.78Å; Y165-I169 PolarHBondContact O-N 3.38Å; D166-I169 PolarHBondContact O-N 3.28Å; D166-I169 VanDerWaalsContact O-N 3.08Å; I169-L172 WeakPolarHBondContact O-CB 3.5Å; I169-L172 PolarHBondContact O-N 3.31Å; I169-F173 HydrophobicContact CG2-CD2 3.48Å; I169-F173 VanDerWaalsContact CG2-CD2 3.48Å; I169-F173 HydrophobicContact CG2-CE2 3.13Å; I169-F173 HydrophobicContact CG2-CG 4.44Å; I169-F173 HydrophobicContact CG2-CZ 3.78Å; I169-F173 WeakPolarHBondContact O-CD2 3.3Å; I169-F173 WeakPolarHBondContact O-CG 3.13Å; I169-F173 PolarHBondContact O-N 3.23Å; I169-L185 HydrophobicContact CD1-CD1 3.87Å; I169-L185 HydrophobicContact CD1-CD2 3.7Å; I169-L185 HydrophobicContact CD1-CG 4.41Å; I169-L185 HydrophobicContact CG1-CD1 4.26Å; I169-L185 HydrophobicContact CG2-CD1 4.05Å; I169-L194 HydrophobicContact CB-CD2 4.17Å; I169-L194 HydrophobicContact CG1-CD1 4.27Å; I169-L194 HydrophobicContact CG1-CD2 3.47Å; I169-L194 VanDerWaalsContact CG1-CD2 3.47Å; I169-M199 HydrophobicContact CG2-CE 4.32Å
170M97.3Very high94.3Very high33 Ų3324.2 Ų24.216%0.16313%0.125CC..Hα-helixtrans-64.3-41174.9-70.9-54.5-56.400111.2D166 L172 F173 N174 A198 T201 A202 M205D166-M170 WeakPolarHBondContact O-CB 3.33Å; D166-M170 WeakPolarHBondContact O-CG 3.43Å; D166-M170 PolarHBondContact O-N 3.31Å; M170-L172 PolarHBondContact O-N 3.37Å; M170-F173 PolarHBondContact O-N 2.88Å; M170-N174 VanDerWaalsContact O-CB 3.24Å; M170-N174 WeakPolarHBondContact O-CB 3.43Å; M170-N174 PolarHBondContact O-N 2.76Å; M170-N174 PolarHBondContact O-ND2 2.81Å; M170-A198 HydrophobicContact CG-CB 4.32Å; M170-A198 HydrophobicContact SD-CB 4.14Å; M170-T201 HydrophobicContact CE-CG2 3.77Å; M170-A202 HydrophobicContact SD-CB 4.04Å; M170-M205 HydrophobicContact CE-CE 4.01Å; M170-M205 HydrophobicContact CE-SD 4.39Å
171T97.6Very high94.7Very high21 Ų2125.6 Ų25.613%0.12913%0.134CC..Hα-helixtrans-58.3-47.8172-63.10000111.2R135 F138 D139 P167 F173 N175R135-T171 HydrophobicContact CG-CG2 4.03Å; F138-T171 HydrophobicContact CB-CG2 3.96Å; D139-T171 HydrophobicContact CB-CG2 3.96Å; P167-T171 WeakPolarHBondContact O-CB 3.33Å; P167-T171 PolarHBondContact O-N 2.76Å; P167-T171 PolarHBondContact O-OG1 2.87Å; T171-F173 PolarHBondContact O-N 2.82Å; T171-N175 WeakPolarHBondContact O-CB 3.33Å; T171-N175 PolarHBondContact O-N 2.99Å; T171-N175 VanDerWaalsContact O-N 3.12Å; T171-N175 PolarHBondContact O-ND2 2.89Å
172L97.9Very high95.2Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-54.4-49.9175.7171.761.5000112.1F138 L152 V155 V168 I169 M170 H176 L180F138-L172 HydrophobicContact CB-CB 4.28Å; F138-L172 HydrophobicContact CD1-CB 4.49Å; F138-L172 HydrophobicContact CD1-CD1 3.75Å; F138-L172 HydrophobicContact CD2-CB 3.69Å; F138-L172 HydrophobicContact CD2-CD1 4.38Å; F138-L172 HydrophobicContact CD2-CG 4.45Å; F138-L172 HydrophobicContact CE1-CD1 3.86Å; F138-L172 HydrophobicContact CE2-CB 4.08Å; F138-L172 HydrophobicContact CE2-CD1 4.45Å; F138-L172 HydrophobicContact CE2-CD2 4.22Å; F138-L172 HydrophobicContact CE2-CG 4.48Å; F138-L172 HydrophobicContact CG-CB 3.93Å; F138-L172 HydrophobicContact CG-CD1 4.04Å; F138-L172 HydrophobicContact CZ-CD1 4.22Å; F138-L172 HydrophobicContact CZ-CD2 4.27Å; L152-L172 HydrophobicContact CD1-CD1 4.04Å; V155-L172 HydrophobicContact CB-CD2 4.37Å; V155-L172 HydrophobicContact CG1-CD2 4.14Å; V155-L172 HydrophobicContact CG2-CD1 3.93Å; V155-L172 HydrophobicContact CG2-CD2 4.36Å; V168-L172 PolarHBondContact O-N 3.29Å; V168-L172 VanDerWaalsContact O-N 3.17Å; I169-L172 WeakPolarHBondContact O-CB 3.5Å; I169-L172 PolarHBondContact O-N 3.31Å; M170-L172 PolarHBondContact O-N 3.37Å; L172-H176 HydrophobicContact CD1-CB 4.19Å; L172-H176 WeakPolarHBondContact O-CA 3.32Å; L172-H176 WeakPolarHBondContact O-CB 3.2Å; L172-H176 PolarHBondContact O-N 3.01Å; L172-L180 HydrophobicContact CD1-CD1 3.98Å; L172-L180 HydrophobicContact CD1-CD2 4.47Å; L172-L180 HydrophobicContact CD2-CD1 4.47Å; L172-L180 HydrophobicContact CG-CD1 4Å
173F97.3Very high95.8Very high1 Ų126.9 Ų26.90%0.00414%0.139CC..Hα-helixtrans-77.1-35.1-173.8-62.6-30.7000113.6I169 M170 T171 N175 G177 L180 V183 L185 M199 A202 M205 L206 F212I169-F173 HydrophobicContact CG2-CD2 3.48Å; I169-F173 VanDerWaalsContact CG2-CD2 3.48Å; I169-F173 HydrophobicContact CG2-CE2 3.13Å; I169-F173 HydrophobicContact CG2-CG 4.44Å; I169-F173 HydrophobicContact CG2-CZ 3.78Å; I169-F173 WeakPolarHBondContact O-CD2 3.3Å; I169-F173 WeakPolarHBondContact O-CG 3.13Å; I169-F173 PolarHBondContact O-N 3.23Å; M170-F173 PolarHBondContact O-N 2.88Å; T171-F173 PolarHBondContact O-N 2.82Å; F173-N175 VanDerWaalsContact C-N 3.29Å; F173-N175 PolarHBondContact O-N 2.85Å; F173-G177 WeakPolarHBondContact O-CA 3.39Å; F173-G177 PolarHBondContact O-N 3.01Å; F173-L180 HydrophobicContact CD1-CD1 3.71Å; F173-L180 HydrophobicContact CE1-CD1 3.98Å; F173-V183 HydrophobicContact CE1-CG1 4.08Å; F173-V183 HydrophobicContact CE1-CG2 4.32Å; F173-V183 HydrophobicContact CZ-CG1 4.18Å; F173-L185 HydrophobicContact CZ-CD1 4.07Å; F173-M199 HydrophobicContact CE2-CE 4.18Å; F173-M199 HydrophobicContact CE2-SD 4.39Å; F173-A202 HydrophobicContact CD2-CB 3.2Å; F173-A202 HydrophobicContact CE2-CB 3.56Å; F173-A202 HydrophobicContact CG-CB 4.25Å; F173-M205 HydrophobicContact CB-CB 4.41Å; F173-M205 HydrophobicContact CB-SD 3.9Å; F173-L206 HydrophobicContact CD1-CD2 3.73Å; F173-L206 HydrophobicContact CD1-CG 4.45Å; F173-L206 HydrophobicContact CE1-CD1 4.29Å; F173-L206 HydrophobicContact CE1-CD2 3.86Å; F173-L206 HydrophobicContact CG-CD2 4.42Å; F173-L206 HydrophobicContact CZ-CD1 4.25Å; F173-F212 HydrophobicContact CZ-CE2 4.22Å; F173-F212 HydrophobicContact CZ-CZ 4.48Å
174N97Very high96.5Very high86 Ų8626.3 Ų26.346%0.4613%0.134SC..Hα-helixtrans-60.2-42.1173-73.9-21.2000111.4M170 M205M170-N174 VanDerWaalsContact O-CB 3.24Å; M170-N174 WeakPolarHBondContact O-CB 3.43Å; M170-N174 PolarHBondContact O-N 2.76Å; M170-N174 PolarHBondContact O-ND2 2.81Å; N174-M205 WeakPolarHBondContact OD1-CE 3.49Å; N174-M205 PolarHBondContact OD1-SD 3.27Å
175N97.3Very high96.8Very high31 Ų3126.2 Ų26.217%0.16613%0.133CC..Hα-helixtrans-96-21.3-169.9-68.6-22.9000114.2F138 D139 T171 F173 W179F138-N175 WeakPolarHBondContact O-CB 3.33Å; F138-N175 PolarHBondContact O-ND2 2.86Å; D139-N175 VanDerWaalsContact CA-ND2 3.29Å; D139-N175 WeakPolarHBondContact CA-ND2 3.29Å; D139-N175 PolarHBondContact O-ND2 3.24Å; T171-N175 WeakPolarHBondContact O-CB 3.33Å; T171-N175 PolarHBondContact O-N 2.99Å; T171-N175 VanDerWaalsContact O-N 3.12Å; T171-N175 PolarHBondContact O-ND2 2.89Å; F173-N175 VanDerWaalsContact C-N 3.29Å; F173-N175 PolarHBondContact O-N 2.85Å; N175-W179 VanDerWaalsContact O-CZ3 3.27Å; N175-W179 WeakPolarHBondContact O-CZ3 3.26Å
176H97.6Very high96.9Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-130.8-4.5-177.1-59.8-66.5000114.5F138 K140 L152 L172 Q178 W179 L180F138-H176 PolarHBondContact O-NE2 3.38Å; K140-H176 PolarHBondContact O-CE1 3.3Å; K140-H176 PolarHBondContact O-NE2 3.28Å; L152-H176 HydrophobicContact CB-CB 4.1Å; L152-H176 PolarHBondContact N-ND1 2.91Å; L172-H176 HydrophobicContact CD1-CB 4.19Å; L172-H176 WeakPolarHBondContact O-CA 3.32Å; L172-H176 WeakPolarHBondContact O-CB 3.2Å; L172-H176 PolarHBondContact O-N 3.01Å; H176-Q178 VanDerWaalsContact C-N 3.27Å; H176-Q178 PolarHBondContact O-N 3.07Å; H176-Q178 VanDerWaalsContact O-N 3.11Å; H176-W179 PolarHBondContact O-N 3.23Å; H176-L180 HydrophobicContact CB-CD1 4.23Å; H176-L180 HydrophobicContact CB-CG 4.21Å; H176-L180 WeakPolarHBondContact O-CG 3.4Å; H176-L180 PolarHBondContact O-N 2.87Å
177G96.9Very high96.6Very high2 Ų224.6 Ų24.62%0.02113%0.126CC..THydrogen-bonded Turntrans-49.8-43.2-171.900000114.6F173 W179 L180 M205F173-G177 WeakPolarHBondContact O-CA 3.39Å; F173-G177 PolarHBondContact O-N 3.01Å; G177-W179 PolarHBondContact O-N 2.78Å; G177-L180 PolarHBondContact O-N 2.84Å; G177-M205 CarbonylContact C-O 2.93Å; G177-M205 WeakPolarHBondContact CA-O 3.07Å
178Q95.7Very high96.1Very high87 Ų8725.5 Ų25.541%0.40712%0.122SC..THydrogen-bonded Turntrans-71.1-7.9-17872.4-178.512.200114.9H176 M205 T207 H208H176-Q178 VanDerWaalsContact C-N 3.27Å; H176-Q178 PolarHBondContact O-N 3.07Å; H176-Q178 VanDerWaalsContact O-N 3.11Å; Q178-M205 PolarHBondContact N-O 3.41Å; Q178-T207 WeakPolarHBondContact CA-OG1 3.03Å; Q178-H208 PolarHBondContact O-CD2 3.36Å; Q178-H208 VanDerWaalsContact O-CD2 3.24Å
179W96.7Very high95.5Very high70 Ų7027.5 Ų27.527%0.26513%0.131SC..THydrogen-bonded Turntrans-113-16.9175.9-61.2-80.1000112.6P142 N143 L152 L153 N175 H176 G177 T181P142-W179 HydrophobicContact CB-CH2 3.51Å; P142-W179 HydrophobicContact CB-CZ2 3.61Å; P142-W179 HydrophobicContact CB-CZ3 4.31Å; P142-W179 HydrophobicContact CG-CD2 4.42Å; P142-W179 HydrophobicContact CG-CE3 4.19Å; P142-W179 HydrophobicContact CG-CH2 3.41Å; P142-W179 VanDerWaalsContact CG-CH2 3.41Å; P142-W179 HydrophobicContact CG-CZ2 3.69Å; P142-W179 HydrophobicContact CG-CZ3 3.73Å; N143-W179 WeakPolarHBondContact OD1-CH2 3.46Å; L152-W179 CarbonylContact O-C 3.55Å; L153-W179 HydrophobicContact CD2-CB 4.1Å; L153-W179 VanDerWaalsContact CD2-O 3.22Å; L153-W179 WeakPolarHBondContact CD2-O 3.43Å; N175-W179 VanDerWaalsContact O-CZ3 3.27Å; N175-W179 WeakPolarHBondContact O-CZ3 3.26Å; H176-W179 PolarHBondContact O-N 3.23Å; G177-W179 PolarHBondContact O-N 2.78Å; W179-T181 PolarHBondContact O-N 3.36Å
180L98.2Very high94.5Very high0 Ų032.6 Ų32.60%016%0.162CC..  trans-67.1123.5-175.2-73.7168.6000111.1L152 V155 L172 F173 H176 G177 V183 L206 H208L152-L180 HydrophobicContact CB-CD2 4.03Å; L152-L180 VanDerWaalsContact O-CD2 3.29Å; L152-L180 WeakPolarHBondContact O-CD2 3.48Å; L152-L180 PolarHBondContact O-N 2.82Å; V155-L180 HydrophobicContact CG2-CD2 3.94Å; L172-L180 HydrophobicContact CD1-CD1 3.98Å; L172-L180 HydrophobicContact CD1-CD2 4.47Å; L172-L180 HydrophobicContact CD2-CD1 4.47Å; L172-L180 HydrophobicContact CG-CD1 4Å; F173-L180 HydrophobicContact CD1-CD1 3.71Å; F173-L180 HydrophobicContact CE1-CD1 3.98Å; H176-L180 HydrophobicContact CB-CD1 4.23Å; H176-L180 HydrophobicContact CB-CG 4.21Å; H176-L180 WeakPolarHBondContact O-CG 3.4Å; H176-L180 PolarHBondContact O-N 2.87Å; G177-L180 PolarHBondContact O-N 2.84Å; L180-V183 HydrophobicContact CB-CG2 3.95Å; L180-V183 HydrophobicContact CD1-CG2 3.92Å; L180-V183 HydrophobicContact CD2-CG2 3.93Å; L180-V183 HydrophobicContact CG-CG2 4.15Å; L180-L206 HydrophobicContact CB-CD2 4.03Å; L180-L206 HydrophobicContact CD1-CD2 3.98Å; L180-H208 CarbonylContact O-C 3.59Å
181T98.3Very high93.6Very high28 Ų2837.9 Ų37.917%0.17219%0.186CC..SBendtrans-110.4-29.8175.557.60000111.7L153 W179 E210 D211L153-T181 PolarHBondContact O-N 2.91Å; L153-T181 PolarHBondContact O-OG1 3.37Å; W179-T181 PolarHBondContact O-N 3.36Å; T181-E210 WeakPolarHBondContact O-CA 3.34Å; T181-E210 WeakPolarHBondContact O-CB 3.25Å; T181-E210 PolarHBondContact O-N 3.27Å; T181-D211 PolarHBondContact O-N 3.29Å
182H98.6Very high92.9Very high41 Ų4138.5 Ų38.519%0.1919%0.191CC..EExtended strand (participates in β ladder)trans-134.6120.3-179.8-56.357.5000110.6L153 R154 V155 E210 D211L153-H182 PolarHBondContact O-N 2.84Å; L153-H182 VanDerWaalsContact O-N 3.09Å; R154-H182 CarbonylContact C-O 3.54Å; R154-H182 VanDerWaalsContact CA-O 3.24Å; R154-H182 WeakPolarHBondContact CA-O 3.33Å; R154-H182 HydrophobicContact CB-CB 4.17Å; R154-H182 HydrophobicContact CG-CB 3.8Å; R154-H182 PolarHBondContact NE-ND1 3.41Å; R154-H182 PolarHBondContact NH2-CE1 3.47Å; R154-H182 VanDerWaalsContact NH2-CE1 3.31Å; R154-H182 PolarHBondContact NH2-NE2 3.36Å; V155-H182 PolarHBondContact N-O 2.67Å; H182-E210 IonicContact CE1-OE2 3.41Å; H182-E210 PolarHBondContact CE1-OE2 3.29Å; H182-D211 CarbonylContact C-O 3.56Å; H182-D211 WeakPolarHBondContact CA-O 3.32Å; H182-D211 HydrophobicContact CB-CB 4.39Å
183V98.3Very high92.5Very high2 Ų244.6 Ų44.61%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-134.6121.5-178.9174.60000109.6V155 F173 L180 L185 I209 D211 F212 R213V155-V183 WeakPolarHBondContact O-CA 3.34Å; F173-V183 HydrophobicContact CE1-CG1 4.08Å; F173-V183 HydrophobicContact CE1-CG2 4.32Å; F173-V183 HydrophobicContact CZ-CG1 4.18Å; L180-V183 HydrophobicContact CB-CG2 3.95Å; L180-V183 HydrophobicContact CD1-CG2 3.92Å; L180-V183 HydrophobicContact CD2-CG2 3.93Å; L180-V183 HydrophobicContact CG-CG2 4.15Å; V183-L185 HydrophobicContact CG1-CD1 4.23Å; V183-L185 HydrophobicContact CG1-CD2 3.88Å; V183-L185 HydrophobicContact CG1-CG 3.75Å; V183-I209 HydrophobicContact CB-CD1 4.14Å; V183-I209 HydrophobicContact CG2-CD1 3.89Å; V183-D211 PolarHBondContact N-O 2.99Å; V183-F212 HydrophobicContact CB-CD2 3.93Å; V183-F212 HydrophobicContact CB-CE2 4.23Å; V183-F212 HydrophobicContact CG1-CD2 4.08Å; V183-F212 HydrophobicContact CG1-CE2 3.91Å; V183-R213 PolarHBondContact O-N 3.35Å
184N97.6Very high92.2Very high12 Ų1244.8 Ų44.86%0.06422%0.215CC..EExtended strand (participates in β ladder)trans-122.2104.4177.4-172.70000111.4V155 D156 L157 S158 Q186 R213V155-N184 PolarHBondContact O-N 3.45Å; D156-N184 HydrophobicContact CB-CB 4.32Å; D156-N184 PolarHBondContact OD1-ND2 3.07Å; L157-N184 PolarHBondContact N-O 3.14Å; S158-N184 VanDerWaalsContact CB-ND2 3.27Å; S158-N184 WeakPolarHBondContact CB-ND2 3.11Å; S158-N184 PolarHBondContact OG-ND2 3.43Å; N184-Q186 PolarHBondContact OD1-N 3.48Å; N184-R213 HydrophobicContact CB-CB 4.2Å; N184-R213 HydrophobicContact CB-CG 4.37Å; N184-R213 WeakPolarHBondContact OD1-CB 3.33Å
185L95.5Very high92Very high4 Ų443.4 Ų43.42%0.02121%0.21CC..  trans-105.45.9-178.4-55.7-176.3000113.1L157 I169 F173 V183 N187 L194 R213 F215L157-L185 HydrophobicContact CD1-CD2 4.14Å; I169-L185 HydrophobicContact CD1-CD1 3.87Å; I169-L185 HydrophobicContact CD1-CD2 3.7Å; I169-L185 HydrophobicContact CD1-CG 4.41Å; I169-L185 HydrophobicContact CG1-CD1 4.26Å; I169-L185 HydrophobicContact CG2-CD1 4.05Å; F173-L185 HydrophobicContact CZ-CD1 4.07Å; V183-L185 HydrophobicContact CG1-CD1 4.23Å; V183-L185 HydrophobicContact CG1-CD2 3.88Å; V183-L185 HydrophobicContact CG1-CG 3.75Å; L185-N187 PolarHBondContact O-N 3.42Å; L185-L194 HydrophobicContact CD1-CD1 4.18Å; L185-R213 PolarHBondContact N-O 3.29Å; L185-F215 WeakPolarHBondContact O-CE2 3.46Å; L185-F215 WeakPolarHBondContact O-CZ 3.33Å
186Q93.6Very high91.8Very high29 Ų2942.7 Ų42.714%0.13621%0.208CC..  trans-73.759.6-178.9-64.7177.6-29.500111.6S158 N184 R213 I214 F215 S239 L241S158-Q186 WeakPolarHBondContact CA-O 3.26Å; S158-Q186 VanDerWaalsContact O-O 3.13Å; N184-Q186 PolarHBondContact OD1-N 3.48Å; Q186-R213 HydrophobicContact CG-CB 4.06Å; Q186-I214 WeakPolarHBondContact CG-O 3.25Å; Q186-I214 PolarHBondContact NE2-O 3.18Å; Q186-F215 HydrophobicContact CB-CE1 4.5Å; Q186-S239 VanDerWaalsContact NE2-C 3.25Å; Q186-S239 PolarHBondContact NE2-O 3.49Å; Q186-S239 PolarHBondContact NE2-OG 3.07Å; Q186-S239 PolarHBondContact OE1-OG 3Å; Q186-L241 HydrophobicContact CB-CB 4.44Å; Q186-L241 HydrophobicContact CG-CB 4.07Å
187N89.3Confident91.6Very high6 Ų647 Ų473%0.03223%0.234CC..  trans-62.1166.8179.672.737.1000112.7L157 S158 L185 Q189 F215 R243L157-N187 VanDerWaalsContact O-CB 3.32Å; L157-N187 WeakPolarHBondContact O-CB 3.41Å; S158-N187 CarbonylContact O-C 3.54Å; S158-N187 WeakPolarHBondContact O-CA 3.47Å; L185-N187 PolarHBondContact O-N 3.42Å; N187-Q189 WeakPolarHBondContact OD1-CB 3.28Å; N187-Q189 PolarHBondContact OD1-N 3.09Å; N187-F215 HydrophobicContact CB-CZ 4.37Å; N187-F215 VanDerWaalsContact N-CZ 3.3Å; N187-F215 WeakPolarHBondContact OD1-CZ 3.37Å; N187-R243 PolarHBondContact O-NH2 3.38Å
188R85.9Confident91.5Very high77 Ų7747.6 Ų47.629%0.29124%0.239SC..SBendtrans-88.62.4-175.6-58.2-173.2-178-160.8-1.6114.5H120 S158 M160 T161 E387H120-R188 PolarHBondContact CE1-NH1 3.19Å; S158-R188 WeakPolarHBondContact O-CG 3.32Å; M160-R188 PolarHBondContact O-N 2.84Å; T161-R188 HydrophobicContact CG2-CB 4.14Å; R188-E387 IonicContact CZ-OE1 3.02Å; R188-E387 IonicContact CZ-OE2 3.29Å; R188-E387 IonicContact NH1-OE1 2.7Å; R188-E387 PolarHBondContact NH1-OE1 2.87Å; R188-E387 IonicContact NH1-OE2 2.78Å; R188-E387 PolarHBondContact NH1-OE2 3.47Å; R188-E387 IonicContact NH2-OE1 2.68Å; R188-E387 IonicContact NH2-OE2 3.86Å; R188-E387 PolarHBondContact NH2-OE2 3.34Å
189Q83.1Confident91.5Very high44 Ų4443.5 Ų43.521%0.20622%0.22CC..  trans-64.1149.6176.7-84.7-70.1-53.800111.4T161 I162 N187 R243T161-Q189 PolarHBondContact O-NE2 2.88Å; I162-Q189 VanDerWaalsContact O-CG 3.25Å; I162-Q189 WeakPolarHBondContact O-CG 3.31Å; N187-Q189 WeakPolarHBondContact OD1-CB 3.28Å; N187-Q189 PolarHBondContact OD1-N 3.09Å; Q189-R243 PolarHBondContact O-NH1 3.46Å; Q189-R243 PolarHBondContact O-NH2 2.85Å
190V75.7Confident91.4Very high111 Ų11143.7 Ų43.767%0.67322%0.22SC*.SBendtrans-70.8-45178.6178.90000111.1R243V190-R243 PolarHBondContact O-NH1 2.91Å
191H78.8Confident91.3Very high144 Ų14446.7 Ų46.767%0.66724%0.239SC*.SBendtrans-97.1127.7-177.1-56.7-68.9000111.3
192C81.8Confident91.2Very high34 Ų3445.4 Ų45.423%0.2323%0.231CC..  trans-84.5118171.2179.20000109L194 F215C192-L194 VanDerWaalsContact C-N 3.32Å; C192-L194 PolarHBondContact SG-N 3.3Å; C192-L194 VanDerWaalsContact SG-N 3.41Å; C192-F215 HydrophobicContact CB-CB 4.5Å; C192-F215 HydrophobicContact CB-CD2 4.06Å; C192-F215 HydrophobicContact CB-CE2 4.5Å; C192-F215 HydrophobicContact CB-CG 4.2Å; C192-F215 WeakPolarHBondContact SG-CD2 3.06Å
193R89.2Confident91.1Very high128 Ų12843.4 Ų43.448%0.48322%0.222SC..BIsolated β-bridgetrans-91.78.7173.1-70.1-175.273.3-179.81.4113.2S163S163-R193 WeakPolarHBondContact OG-CD 3.47Å; S163-R193 WeakPolarHBondContact OG-CG 3.44Å
194L91.1Very high91Very high5 Ų549.6 Ų49.63%0.02625%0.248CC..  trans-84.3130.1174.1-55179.7000109.9D166 I169 L185 C192 F215 C218D166-L194 VanDerWaalsContact OD1-CA 3.22Å; D166-L194 WeakPolarHBondContact OD1-CA 3.32Å; I169-L194 HydrophobicContact CB-CD2 4.17Å; I169-L194 HydrophobicContact CG1-CD1 4.27Å; I169-L194 HydrophobicContact CG1-CD2 3.47Å; I169-L194 VanDerWaalsContact CG1-CD2 3.47Å; L185-L194 HydrophobicContact CD1-CD1 4.18Å; C192-L194 VanDerWaalsContact C-N 3.32Å; C192-L194 PolarHBondContact SG-N 3.3Å; C192-L194 VanDerWaalsContact SG-N 3.41Å; L194-F215 HydrophobicContact CD1-CD2 4.34Å; L194-F215 HydrophobicContact CD1-CE2 4.5Å; L194-C218 HydrophobicContact CB-CB 3.81Å; L194-C218 WeakPolarHBondContact O-CB 3.37Å
195T92.6Very high90.9Very high57 Ų5751.5 Ų51.535%0.3526%0.258SS..  trans-95.2153.6177.972.30000111.5D166 V197 A198 M199D166-T195 PolarHBondContact OD1-N 2.87Å; D166-T195 VanDerWaalsContact OD2-CB 3.27Å; D166-T195 WeakPolarHBondContact OD2-CB 3.15Å; D166-T195 WeakPolarHBondContact OD2-CG2 3.13Å; D166-T195 PolarHBondContact OD2-OG1 2.94Å; T195-V197 PolarHBondContact O-N 3.13Å; T195-A198 WeakPolarHBondContact OG1-CB 3.35Å; T195-A198 PolarHBondContact OG1-N 2.98Å; T195-A198 VanDerWaalsContact OG1-N 3.14Å; T195-M199 PolarHBondContact O-N 2.91Å; T195-M199 VanDerWaalsContact O-N 3.15Å
196A93.2Very high91Very high16 Ų1651.3 Ų51.313%0.13226%0.257CS..Hα-helixtrans-64.2-33.5172.800000111.4M199 R200 C218 D220A196-M199 PolarHBondContact O-N 3.43Å; A196-R200 WeakPolarHBondContact O-CG 3.18Å; A196-R200 PolarHBondContact O-N 2.79Å; A196-C218 WeakPolarHBondContact CA-O 3.33Å; A196-D220 HydrophobicContact CB-CB 4.46Å
197V94Very high91.1Very high90 Ų9051.3 Ų51.355%0.54526%0.259SS..Hα-helixtrans-60.3-52.4177.9-177.90000110.9T195 M199 R200 T201T195-V197 PolarHBondContact O-N 3.13Å; V197-M199 VanDerWaalsContact C-N 3.29Å; V197-M199 PolarHBondContact O-N 2.99Å; V197-R200 PolarHBondContact O-N 3.5Å; V197-T201 PolarHBondContact O-N 2.99Å
198A94.8Very high91.5Very high14 Ų1454.9 Ų54.912%0.11628%0.275CS..Hα-helixtrans-61.1-41.5177.600000111.2D166 M170 T195 R200 T201 A202D166-A198 HydrophobicContact CB-CB 3.84Å; D166-A198 WeakPolarHBondContact OD1-CB 3.05Å; D166-A198 WeakPolarHBondContact OD2-CB 3.27Å; M170-A198 HydrophobicContact CG-CB 4.32Å; M170-A198 HydrophobicContact SD-CB 4.14Å; T195-A198 WeakPolarHBondContact OG1-CB 3.35Å; T195-A198 PolarHBondContact OG1-N 2.98Å; T195-A198 VanDerWaalsContact OG1-N 3.14Å; A198-R200 PolarHBondContact O-N 3.22Å; A198-T201 PolarHBondContact O-N 3.12Å; A198-T201 VanDerWaalsContact O-N 3.15Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.41Å; A198-A202 PolarHBondContact O-N 3.31Å
199M95.3Very high92.1Very high2 Ų251.2 Ų51.21%0.0126%0.261CS..Hα-helixtrans-65-38.5-179.1-165.451.547.200113.5I169 F173 T195 A196 V197 T201 A202 V203 F212 I214 C218 F219I169-M199 HydrophobicContact CG2-CE 4.32Å; F173-M199 HydrophobicContact CE2-CE 4.18Å; F173-M199 HydrophobicContact CE2-SD 4.39Å; T195-M199 PolarHBondContact O-N 2.91Å; T195-M199 VanDerWaalsContact O-N 3.15Å; A196-M199 PolarHBondContact O-N 3.43Å; V197-M199 VanDerWaalsContact C-N 3.29Å; V197-M199 PolarHBondContact O-N 2.99Å; M199-T201 PolarHBondContact O-N 3.21Å; M199-A202 HydrophobicContact CE-CB 4.39Å; M199-A202 WeakPolarHBondContact O-CB 3.39Å; M199-A202 PolarHBondContact O-N 3.29Å; M199-A202 HydrophobicContact SD-CB 4.02Å; M199-V203 HydrophobicContact CG-CG1 4.13Å; M199-V203 WeakPolarHBondContact O-CG1 3.11Å; M199-V203 WeakPolarHBondContact O-CG2 3.46Å; M199-V203 PolarHBondContact O-N 2.87Å; M199-V203 HydrophobicContact SD-CG1 3.83Å; M199-F212 HydrophobicContact SD-CE1 4.22Å; M199-F212 HydrophobicContact SD-CZ 3.76Å; M199-I214 HydrophobicContact CE-CD1 3.28Å; M199-I214 HydrophobicContact CG-CD1 3.83Å; M199-I214 HydrophobicContact SD-CD1 3.35Å; M199-I214 WeakPolarHBondContact SD-CD1 3.39Å; M199-C218 WeakPolarHBondContact CB-O 3.37Å; M199-C218 VanDerWaalsContact CG-O 3.25Å; M199-C218 WeakPolarHBondContact CG-O 3.46Å; M199-F219 HydrophobicContact CG-CD2 3.85Å
200R95.7Very high92.8Very high73 Ų7351.5 Ų51.528%0.27526%0.263SS..Hα-helixtrans-58.8-33.4174.1-73.9-171.3-53.7-110.211.4112.9A196 V197 A198 D220 D222 A223A196-R200 WeakPolarHBondContact O-CG 3.18Å; A196-R200 PolarHBondContact O-N 2.79Å; V197-R200 PolarHBondContact O-N 3.5Å; A198-R200 PolarHBondContact O-N 3.22Å; R200-D220 WeakPolarHBondContact CD-OD1 3.34Å; R200-D220 WeakPolarHBondContact CG-OD1 3.43Å; R200-D220 IonicContact CZ-OD2 3.72Å; R200-D220 IonicContact NH1-OD2 2.66Å; R200-D220 PolarHBondContact NH1-OD2 3.18Å; R200-D222 VanDerWaalsContact CD-CB 3.47Å; R200-D222 HydrophobicContact CG-CB 4.23Å; R200-A223 HydrophobicContact CG-CB 3.88Å
201T95.6Very high93.9Very high64 Ų6447.1 Ų47.139%0.39324%0.236SC..Hα-helixtrans-78.3-48.4175.6-560000110.7M170 V197 A198 M199 V203 K204 M205M170-T201 HydrophobicContact CE-CG2 3.77Å; V197-T201 PolarHBondContact O-N 2.99Å; A198-T201 PolarHBondContact O-N 3.12Å; A198-T201 VanDerWaalsContact O-N 3.15Å; M199-T201 PolarHBondContact O-N 3.21Å; T201-V203 PolarHBondContact O-N 3.4Å; T201-K204 WeakPolarHBondContact O-CB 3.05Å; T201-K204 PolarHBondContact O-N 3.27Å; T201-M205 HydrophobicContact CG2-CE 3.97Å
202A95.2Very high94.8Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-50.9-50.5179.700000114.3M170 F173 A198 M199 K204 M205M170-A202 HydrophobicContact SD-CB 4.04Å; F173-A202 HydrophobicContact CD2-CB 3.2Å; F173-A202 HydrophobicContact CE2-CB 3.56Å; F173-A202 HydrophobicContact CG-CB 4.25Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.41Å; A198-A202 PolarHBondContact O-N 3.31Å; M199-A202 HydrophobicContact CE-CB 4.39Å; M199-A202 WeakPolarHBondContact O-CB 3.39Å; M199-A202 PolarHBondContact O-N 3.29Å; M199-A202 HydrophobicContact SD-CB 4.02Å; A202-K204 PolarHBondContact O-N 3.41Å; A202-K204 VanDerWaalsContact O-N 3.12Å; A202-M205 WeakPolarHBondContact O-CB 3.46Å; A202-M205 PolarHBondContact O-N 3.11Å
203V96.3Very high95.5Very high0 Ų040.3 Ų40.30%020%0.199CC..G310 helixtrans-64.6-20.6-174.6-63.90000113.3M199 T201 M205 L206 F212 F219 A223 A226 M227 S230M199-V203 HydrophobicContact CG-CG1 4.13Å; M199-V203 WeakPolarHBondContact O-CG1 3.11Å; M199-V203 WeakPolarHBondContact O-CG2 3.46Å; M199-V203 PolarHBondContact O-N 2.87Å; M199-V203 HydrophobicContact SD-CG1 3.83Å; T201-V203 PolarHBondContact O-N 3.4Å; V203-M205 PolarHBondContact O-N 2.86Å; V203-L206 PolarHBondContact O-N 3.17Å; V203-F212 HydrophobicContact CG1-CE1 4.19Å; V203-F219 HydrophobicContact CG1-CE2 3.84Å; V203-A223 WeakPolarHBondContact CG2-O 3.37Å; V203-A226 HydrophobicContact CG2-CB 3.72Å; V203-M227 HydrophobicContact CB-CB 4.02Å; V203-M227 HydrophobicContact CG2-CB 4.31Å; V203-S230 PolarHBondContact O-OG 3.39Å
204K96.9Very high95.8Very high131 Ų13134.2 Ų34.257%0.5718%0.176SC*.G310 helixtrans-67.9-23.8175.1-64.1176.3-177.8-179.60112.3T201 A202 A226 S230T201-K204 WeakPolarHBondContact O-CB 3.05Å; T201-K204 PolarHBondContact O-N 3.27Å; A202-K204 PolarHBondContact O-N 3.41Å; A202-K204 VanDerWaalsContact O-N 3.12Å; K204-A226 HydrophobicContact CG-CB 4.07Å; K204-S230 WeakPolarHBondContact O-CB 3.5Å
205M96.2Very high95.9Very high52 Ų5234 Ų3426%0.25618%0.175SC..G310 helixtrans-86.3-16.8-180-59.3154.2-174.800112.4M170 F173 N174 G177 Q178 T201 A202 V203 T207M170-M205 HydrophobicContact CE-CE 4.01Å; M170-M205 HydrophobicContact CE-SD 4.39Å; F173-M205 HydrophobicContact CB-CB 4.41Å; F173-M205 HydrophobicContact CB-SD 3.9Å; N174-M205 WeakPolarHBondContact OD1-CE 3.49Å; N174-M205 PolarHBondContact OD1-SD 3.27Å; G177-M205 CarbonylContact C-O 2.93Å; G177-M205 WeakPolarHBondContact CA-O 3.07Å; Q178-M205 PolarHBondContact N-O 3.41Å; T201-M205 HydrophobicContact CG2-CE 3.97Å; A202-M205 WeakPolarHBondContact O-CB 3.46Å; A202-M205 PolarHBondContact O-N 3.11Å; V203-M205 PolarHBondContact O-N 2.86Å; M205-T207 PolarHBondContact O-N 2.75Å; M205-T207 VanDerWaalsContact O-N 3.12Å
206L96.8Very high96Very high0 Ų031.7 Ų31.70%016%0.16CC..  trans-84.976.6-176.9-64.7-179.9000111.2F173 L180 V203 I209 F212F173-L206 HydrophobicContact CD1-CD2 3.73Å; F173-L206 HydrophobicContact CD1-CG 4.45Å; F173-L206 HydrophobicContact CE1-CD1 4.29Å; F173-L206 HydrophobicContact CE1-CD2 3.86Å; F173-L206 HydrophobicContact CG-CD2 4.42Å; F173-L206 HydrophobicContact CZ-CD1 4.25Å; L180-L206 HydrophobicContact CB-CD2 4.03Å; L180-L206 HydrophobicContact CD1-CD2 3.98Å; V203-L206 PolarHBondContact O-N 3.17Å; L206-I209 HydrophobicContact CB-CB 4.1Å; L206-I209 HydrophobicContact CB-CG2 4.02Å; L206-F212 HydrophobicContact CD1-CE2 4.27Å; L206-F212 HydrophobicContact CD1-CZ 4.24Å
207T96.3Very high95.9Very high30 Ų3031.1 Ų31.118%0.18416%0.156CC..THydrogen-bonded Turntrans-80-16-172.457.60000114.7Q178 M205 N231 Q232 G233Q178-T207 WeakPolarHBondContact CA-OG1 3.03Å; M205-T207 PolarHBondContact O-N 2.75Å; M205-T207 VanDerWaalsContact O-N 3.12Å; T207-N231 VanDerWaalsContact C-OD1 3.23Å; T207-N231 PolarHBondContact O-OD1 3.09Å; T207-Q232 CarbonylContact O-C 3.59Å; T207-Q232 WeakPolarHBondContact O-CA 3.47Å; T207-Q232 PolarHBondContact O-N 3.24Å; T207-G233 PolarHBondContact O-N 3.01Å
208H96.8Very high95.7Very high81 Ų8126.9 Ų26.938%0.37513%0.13SC..THydrogen-bonded Turntrans-132.627.1-177.7-60.5-71.7000113.4Q178 L180 E210 N231Q178-H208 PolarHBondContact O-CD2 3.36Å; Q178-H208 VanDerWaalsContact O-CD2 3.24Å; L180-H208 CarbonylContact O-C 3.59Å; H208-E210 PolarHBondContact O-N 3.1Å; H208-N231 PolarHBondContact N-OD1 3.36Å
209I97.8Very high95.7Very high0 Ų026.3 Ų26.30%013%0.125CC..  trans-69.8127.2-175.6-167.672.7000111.3V183 L206 F212 N231 L235V183-I209 HydrophobicContact CB-CD1 4.14Å; V183-I209 HydrophobicContact CG2-CD1 3.89Å; L206-I209 HydrophobicContact CB-CB 4.1Å; L206-I209 HydrophobicContact CB-CG2 4.02Å; I209-F212 HydrophobicContact CD1-CB 4.43Å; I209-F212 HydrophobicContact CG1-CB 3.83Å; I209-F212 HydrophobicContact CG1-CG 4.38Å; I209-N231 HydrophobicContact CG2-CB 4.3Å; I209-N231 WeakPolarHBondContact CG2-ND2 3.14Å; I209-N231 PolarHBondContact N-OD1 3.03Å; I209-N231 PolarHBondContact O-ND2 3.16Å; I209-L235 HydrophobicContact CG2-CD1 4.41Å
210E98.2Very high95.7Very high49 Ų4926.4 Ų26.423%0.22913%0.125CC..SBendtrans-107.3-42.2179.2-60.2-172.3165.900112T181 H182 H208 R236 H237T181-E210 WeakPolarHBondContact O-CA 3.34Å; T181-E210 WeakPolarHBondContact O-CB 3.25Å; T181-E210 PolarHBondContact O-N 3.27Å; H182-E210 IonicContact CE1-OE2 3.41Å; H182-E210 PolarHBondContact CE1-OE2 3.29Å; H208-E210 PolarHBondContact O-N 3.1Å; E210-R236 WeakPolarHBondContact O-CA 3.26Å; E210-R236 PolarHBondContact O-N 2.76Å; E210-H237 PolarHBondContact O-N 2.91Å
211D98.6Very high95.7Very high20 Ų2023.5 Ų23.511%0.10712%0.116CC..EExtended strand (participates in β ladder)trans-127.3111.7177-171.2-26.4000109.6T181 H182 V183 R213 H237T181-D211 PolarHBondContact O-N 3.29Å; H182-D211 CarbonylContact C-O 3.56Å; H182-D211 WeakPolarHBondContact CA-O 3.32Å; H182-D211 HydrophobicContact CB-CB 4.39Å; V183-D211 PolarHBondContact N-O 2.99Å; D211-R213 WeakPolarHBondContact OD1-CG 3.32Å; D211-R213 IonicContact OD1-CZ 3.9Å; D211-R213 IonicContact OD1-NE 3Å; D211-R213 PolarHBondContact OD1-NE 2.9Å; D211-R213 IonicContact OD1-NH2 3.11Å; D211-R213 IonicContact OD2-CZ 2.82Å; D211-R213 IonicContact OD2-NE 2.82Å; D211-R213 PolarHBondContact OD2-NE 3.28Å; D211-R213 IonicContact OD2-NH2 2.77Å; D211-R213 PolarHBondContact OD2-NH2 3.41Å; D211-H237 WeakPolarHBondContact CA-O 3.18Å; D211-H237 HydrophobicContact CB-CB 4.27Å; D211-H237 VanDerWaalsContact CG-ND1 3.31Å; D211-H237 IonicContact OD1-CE1 3.78Å; D211-H237 IonicContact OD1-CG 2.69Å; D211-H237 IonicContact OD1-ND1 2.84Å; D211-H237 PolarHBondContact OD1-ND1 2.93Å; D211-H237 IonicContact OD2-ND1 3.14Å; D211-H237 PolarHBondContact OD2-ND1 3.48Å
212F98.1Very high95.7Very high0 Ų023.9 Ų23.90%012%0.115CC..EExtended strand (participates in β ladder)trans-120.1122.3178.3-168.7-144000111.4F173 V183 M199 V203 L206 I209 I214 F219 M227 H237 L238 S239F173-F212 HydrophobicContact CZ-CE2 4.22Å; F173-F212 HydrophobicContact CZ-CZ 4.48Å; V183-F212 HydrophobicContact CB-CD2 3.93Å; V183-F212 HydrophobicContact CB-CE2 4.23Å; V183-F212 HydrophobicContact CG1-CD2 4.08Å; V183-F212 HydrophobicContact CG1-CE2 3.91Å; M199-F212 HydrophobicContact SD-CE1 4.22Å; M199-F212 HydrophobicContact SD-CZ 3.76Å; V203-F212 HydrophobicContact CG1-CE1 4.19Å; L206-F212 HydrophobicContact CD1-CE2 4.27Å; L206-F212 HydrophobicContact CD1-CZ 4.24Å; I209-F212 HydrophobicContact CD1-CB 4.43Å; I209-F212 HydrophobicContact CG1-CB 3.83Å; I209-F212 HydrophobicContact CG1-CG 4.38Å; F212-I214 HydrophobicContact CE1-CB 4.4Å; F212-I214 HydrophobicContact CE1-CD1 4Å; F212-I214 HydrophobicContact CE1-CG2 4.28Å; F212-I214 HydrophobicContact CE2-CD1 4.34Å; F212-I214 HydrophobicContact CZ-CB 4.23Å; F212-I214 HydrophobicContact CZ-CD1 3.54Å; F212-I214 HydrophobicContact CZ-CG1 4.46Å; F212-F219 HydrophobicContact CD1-CE2 4.36Å; F212-F219 HydrophobicContact CE1-CD2 4.18Å; F212-F219 AromaticContact CE1-CE2 3.86Å; F212-F219 HydrophobicContact CE1-CE2 3.86Å; F212-M227 HydrophobicContact CD1-SD 4.14Å; F212-H237 PolarHBondContact N-O 2.9Å; F212-L238 HydrophobicContact CB-CD1 4Å; F212-L238 HydrophobicContact CD1-CD1 3.88Å; F212-L238 HydrophobicContact CG-CD1 4.36Å; F212-L238 CarbonylContact O-C 3.5Å; F212-L238 WeakPolarHBondContact O-CA 3.38Å; F212-S239 PolarHBondContact O-N 2.88Å
213R97.7Very high95.8Very high34 Ų3423.9 Ų23.913%0.12812%0.115CC..EExtended strand (participates in β ladder)trans-125.9120.7-178.1-42.5-170.5-177.6-178.1-1.6110.3V183 N184 L185 Q186 D211 S239 S391V183-R213 PolarHBondContact O-N 3.35Å; N184-R213 HydrophobicContact CB-CB 4.2Å; N184-R213 HydrophobicContact CB-CG 4.37Å; N184-R213 WeakPolarHBondContact OD1-CB 3.33Å; L185-R213 PolarHBondContact N-O 3.29Å; Q186-R213 HydrophobicContact CG-CB 4.06Å; D211-R213 WeakPolarHBondContact OD1-CG 3.32Å; D211-R213 IonicContact OD1-CZ 3.9Å; D211-R213 IonicContact OD1-NE 3Å; D211-R213 PolarHBondContact OD1-NE 2.9Å; D211-R213 IonicContact OD1-NH2 3.11Å; D211-R213 IonicContact OD2-CZ 2.82Å; D211-R213 IonicContact OD2-NE 2.82Å; D211-R213 PolarHBondContact OD2-NE 3.28Å; D211-R213 IonicContact OD2-NH2 2.77Å; D211-R213 PolarHBondContact OD2-NH2 3.41Å; R213-S239 WeakPolarHBondContact CA-O 3.3Å; R213-S391 PolarHBondContact NH1-O 3.1Å
214I95.4Very high95.8Very high0 Ų023.9 Ų23.90%012%0.115CC..EExtended strand (participates in β ladder)trans-145.6170.6-169.6-167.2157.9000111.7Q186 M199 F212 C218 F219 S239 F240 L241Q186-I214 WeakPolarHBondContact CG-O 3.25Å; Q186-I214 PolarHBondContact NE2-O 3.18Å; M199-I214 HydrophobicContact CE-CD1 3.28Å; M199-I214 HydrophobicContact CG-CD1 3.83Å; M199-I214 HydrophobicContact SD-CD1 3.35Å; M199-I214 WeakPolarHBondContact SD-CD1 3.39Å; F212-I214 HydrophobicContact CE1-CB 4.4Å; F212-I214 HydrophobicContact CE1-CD1 4Å; F212-I214 HydrophobicContact CE1-CG2 4.28Å; F212-I214 HydrophobicContact CE2-CD1 4.34Å; F212-I214 HydrophobicContact CZ-CB 4.23Å; F212-I214 HydrophobicContact CZ-CD1 3.54Å; F212-I214 HydrophobicContact CZ-CG1 4.46Å; I214-C218 VanDerWaalsContact CD1-SG 3.56Å; I214-C218 WeakPolarHBondContact CG1-SG 3.47Å; I214-F219 HydrophobicContact CD1-CD2 4.49Å; I214-F219 HydrophobicContact CG2-CB 4.3Å; I214-F219 HydrophobicContact CG2-CD2 4.3Å; I214-F219 HydrophobicContact CG2-CG 4.43Å; I214-S239 PolarHBondContact N-O 3.29Å; I214-F240 HydrophobicContact CG2-CD1 3.84Å; I214-F240 HydrophobicContact CG2-CE1 3.66Å; I214-F240 WeakPolarHBondContact O-CA 3.37Å; I214-L241 PolarHBondContact O-N 2.98Å
215F93.4Very high95.8Very high1 Ų121.9 Ų21.90%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-78.4140.9169.9-53.8-70.5000110.6L185 Q186 N187 C192 L194 A217 C218 L241L185-F215 WeakPolarHBondContact O-CE2 3.46Å; L185-F215 WeakPolarHBondContact O-CZ 3.33Å; Q186-F215 HydrophobicContact CB-CE1 4.5Å; N187-F215 HydrophobicContact CB-CZ 4.37Å; N187-F215 VanDerWaalsContact N-CZ 3.3Å; N187-F215 WeakPolarHBondContact OD1-CZ 3.37Å; C192-F215 HydrophobicContact CB-CB 4.5Å; C192-F215 HydrophobicContact CB-CD2 4.06Å; C192-F215 HydrophobicContact CB-CE2 4.5Å; C192-F215 HydrophobicContact CB-CG 4.2Å; C192-F215 WeakPolarHBondContact SG-CD2 3.06Å; L194-F215 HydrophobicContact CD1-CD2 4.34Å; L194-F215 HydrophobicContact CD1-CE2 4.5Å; F215-A217 PolarHBondContact O-N 3.29Å; F215-C218 PolarHBondContact O-N 2.99Å; F215-C218 PolarHBondContact O-SG 3.13Å; F215-L241 WeakPolarHBondContact CA-O 3.46Å; F215-L241 HydrophobicContact CD1-CB 4.07Å; F215-L241 HydrophobicContact CD1-CD2 3.92Å; F215-L241 HydrophobicContact CD1-CG 4.38Å; F215-L241 HydrophobicContact CE1-CD2 3.71Å
216M93.2Very high95.9Very high8 Ų820.1 Ų20.14%0.03910%0.1CC..SBendtrans-61.2-33.4176.4-176.859.5108.100111.6C218 F219 F240 L241 D246 L272 I286M216-C218 VanDerWaalsContact C-N 3.34Å; M216-C218 PolarHBondContact O-N 3.35Å; M216-F219 PolarHBondContact O-N 3.02Å; M216-F240 HydrophobicContact CB-CB 4.27Å; M216-F240 HydrophobicContact CB-CD1 4.4Å; M216-F240 HydrophobicContact CE-CB 4.49Å; M216-F240 HydrophobicContact CE-CG 4.28Å; M216-F240 HydrophobicContact SD-CD1 3.9Å; M216-F240 HydrophobicContact SD-CE1 4.32Å; M216-F240 HydrophobicContact SD-CG 4.16Å; M216-L241 PolarHBondContact N-O 3.31Å; M216-D246 HydrophobicContact CB-CB 4.27Å; M216-D246 HydrophobicContact CG-CB 4.49Å; M216-L272 HydrophobicContact CE-CD2 4.49Å; M216-I286 HydrophobicContact CE-CB 4.31Å; M216-I286 HydrophobicContact CE-CD1 4.08Å; M216-I286 HydrophobicContact CE-CG1 4.12Å; M216-I286 HydrophobicContact CE-CG2 3.47Å; M216-I286 VanDerWaalsContact CE-CG2 3.47Å; M216-I286 HydrophobicContact CG-CD1 4.02Å
217A90.7Very high95.9Very high5 Ų520.1 Ų20.14%0.04110%0.1CC..THydrogen-bonded Turntrans-44.8-58.4175.800000112.1F215 F219 D246 R249F215-A217 PolarHBondContact O-N 3.29Å; A217-F219 VanDerWaalsContact C-N 3.27Å; A217-F219 PolarHBondContact O-N 3.2Å; A217-D246 WeakPolarHBondContact CA-OD1 3.47Å; A217-D246 WeakPolarHBondContact CB-OD1 3.25Å; A217-D246 VanDerWaalsContact N-CG 3.31Å; A217-D246 PolarHBondContact N-OD1 2.85Å; A217-D246 PolarHBondContact N-OD2 2.85Å; A217-R249 VanDerWaalsContact C-CZ 3.46Å; A217-R249 VanDerWaalsContact CB-CZ 3.45Å; A217-R249 VanDerWaalsContact O-CD 3.28Å; A217-R249 WeakPolarHBondContact O-CD 3.41Å; A217-R249 PolarHBondContact O-NE 2.98Å; A217-R249 PolarHBondContact O-NH1 2.77Å
218C91.3Very high95.9Very high0 Ų019.4 Ų19.40%010%0.095CC..THydrogen-bonded Turntrans-85.810.5-167.3550000114.2L194 A196 M199 I214 F215 M216L194-C218 HydrophobicContact CB-CB 3.81Å; L194-C218 WeakPolarHBondContact O-CB 3.37Å; A196-C218 WeakPolarHBondContact CA-O 3.33Å; M199-C218 WeakPolarHBondContact CB-O 3.37Å; M199-C218 VanDerWaalsContact CG-O 3.25Å; M199-C218 WeakPolarHBondContact CG-O 3.46Å; I214-C218 VanDerWaalsContact CD1-SG 3.56Å; I214-C218 WeakPolarHBondContact CG1-SG 3.47Å; F215-C218 PolarHBondContact O-N 2.99Å; F215-C218 PolarHBondContact O-SG 3.13Å; M216-C218 VanDerWaalsContact C-N 3.34Å; M216-C218 PolarHBondContact O-N 3.35Å
219F94.3Very high95.9Very high2 Ų222 Ų221%0.00911%0.112CC..  trans-127.497-175.1-160.5-90.7000110.8M199 V203 F212 I214 M216 A217 A223 L224 M227 F240 P253M199-F219 HydrophobicContact CG-CD2 3.85Å; V203-F219 HydrophobicContact CG1-CE2 3.84Å; F212-F219 HydrophobicContact CD1-CE2 4.36Å; F212-F219 HydrophobicContact CE1-CD2 4.18Å; F212-F219 AromaticContact CE1-CE2 3.86Å; F212-F219 HydrophobicContact CE1-CE2 3.86Å; I214-F219 HydrophobicContact CD1-CD2 4.49Å; I214-F219 HydrophobicContact CG2-CB 4.3Å; I214-F219 HydrophobicContact CG2-CD2 4.3Å; I214-F219 HydrophobicContact CG2-CG 4.43Å; M216-F219 PolarHBondContact O-N 3.02Å; A217-F219 VanDerWaalsContact C-N 3.27Å; A217-F219 PolarHBondContact O-N 3.2Å; F219-A223 HydrophobicContact CD2-CB 4Å; F219-A223 HydrophobicContact CE2-CB 4.05Å; F219-A223 HydrophobicContact CG-CB 4.25Å; F219-A223 HydrophobicContact CZ-CB 4.36Å; F219-L224 HydrophobicContact CE1-CB 3.66Å; F219-L224 HydrophobicContact CE1-CD1 4.01Å; F219-L224 HydrophobicContact CE1-CG 4.35Å; F219-L224 HydrophobicContact CZ-CB 4.23Å; F219-L224 HydrophobicContact CZ-CD1 4.29Å; F219-M227 HydrophobicContact CE2-SD 4.41Å; F219-M227 HydrophobicContact CZ-CE 3.92Å; F219-M227 HydrophobicContact CZ-SD 4.08Å; F219-F240 HydrophobicContact CB-CE1 3.74Å; F219-F240 AromaticContact CD1-CE1 3.56Å; F219-F240 HydrophobicContact CD1-CE1 3.56Å; F219-F240 AromaticContact CD1-CZ 3.65Å; F219-F240 HydrophobicContact CD1-CZ 3.65Å; F219-F240 HydrophobicContact CE1-CE1 4.27Å; F219-F240 AromaticContact CE1-CZ 3.94Å; F219-F240 HydrophobicContact CE1-CZ 3.94Å; F219-F240 AromaticContact CG-CE1 3.71Å; F219-F240 HydrophobicContact CG-CE1 3.71Å; F219-F240 HydrophobicContact CG-CZ 4.22Å; F219-P253 HydrophobicContact CD1-CG 4.29Å
220D94.7Very high95.9Very high4 Ų423 Ų232%0.02112%0.119CC..  trans-95.3-177-177.965.613.3000112.7A196 R200 D222 A223 L224 N251A196-D220 HydrophobicContact CB-CB 4.46Å; R200-D220 WeakPolarHBondContact CD-OD1 3.34Å; R200-D220 WeakPolarHBondContact CG-OD1 3.43Å; R200-D220 IonicContact CZ-OD2 3.72Å; R200-D220 IonicContact NH1-OD2 2.66Å; R200-D220 PolarHBondContact NH1-OD2 3.18Å; D220-D222 VanDerWaalsContact C-N 3.28Å; D220-D222 PolarHBondContact O-N 2.85Å; D220-D222 PolarHBondContact OD1-N 3Å; D220-A223 PolarHBondContact O-N 2.92Å; D220-A223 WeakPolarHBondContact OD1-CB 3.44Å; D220-A223 PolarHBondContact OD1-N 3.34Å; D220-L224 PolarHBondContact O-N 3.3Å; D220-L224 VanDerWaalsContact O-N 3.09Å; D220-N251 WeakPolarHBondContact CA-O 3.35Å; D220-N251 HydrophobicContact CB-CB 4.17Å; D220-N251 WeakPolarHBondContact CB-O 3.39Å; D220-N251 PolarHBondContact OD2-ND2 3Å
221N95.6Very high95.7Very high13 Ų1320.7 Ų20.77%0.0711%0.108CC..Hα-helixtrans-58.9-39.7-179.7-164.342.6000113.1L224 K225 R252 T254 A257N221-L224 PolarHBondContact O-N 2.69Å; N221-K225 WeakPolarHBondContact ND2-CE 3.17Å; N221-K225 PolarHBondContact ND2-NZ 3Å; N221-K225 WeakPolarHBondContact O-CG 3.3Å; N221-K225 PolarHBondContact O-N 3.38Å; N221-R252 WeakPolarHBondContact CB-O 3.17Å; N221-T254 PolarHBondContact OD1-N 3.38Å; N221-T254 PolarHBondContact OD1-OG1 2.93Å; N221-T254 VanDerWaalsContact OD1-OG1 3.07Å; N221-A257 WeakPolarHBondContact OD1-CB 3.27Å
222D96.3Very high95.4Very high72 Ų7227 Ų2739%0.38514%0.137SC..Hα-helixtrans-75.1-32-177.6-62.7-33.5000111.1R200 D220 K225 A226R200-D222 VanDerWaalsContact CD-CB 3.47Å; R200-D222 HydrophobicContact CG-CB 4.23Å; D220-D222 VanDerWaalsContact C-N 3.28Å; D220-D222 PolarHBondContact O-N 2.85Å; D220-D222 PolarHBondContact OD1-N 3Å; D222-K225 PolarHBondContact O-N 3.28Å; D222-A226 WeakPolarHBondContact O-CB 3.23Å; D222-A226 PolarHBondContact O-N 3.01Å
223A96.8Very high95Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-63.3-43.9170.800000110.7R200 V203 F219 D220 A226 M227R200-A223 HydrophobicContact CG-CB 3.88Å; V203-A223 WeakPolarHBondContact CG2-O 3.37Å; F219-A223 HydrophobicContact CD2-CB 4Å; F219-A223 HydrophobicContact CE2-CB 4.05Å; F219-A223 HydrophobicContact CG-CB 4.25Å; F219-A223 HydrophobicContact CZ-CB 4.36Å; D220-A223 PolarHBondContact O-N 2.92Å; D220-A223 WeakPolarHBondContact OD1-CB 3.44Å; D220-A223 PolarHBondContact OD1-N 3.34Å; A223-A226 PolarHBondContact O-N 2.86Å; A223-M227 WeakPolarHBondContact O-CB 3.24Å; A223-M227 PolarHBondContact O-N 3.36Å
224L97.2Very high94.8Very high0 Ų029.8 Ų29.80%016%0.164CC..Hα-helixtrans-61.2-48.9175.8-177.751.6000111.5F219 D220 N221 A226 M227 I228 P253 A257 W258 L261F219-L224 HydrophobicContact CE1-CB 3.66Å; F219-L224 HydrophobicContact CE1-CD1 4.01Å; F219-L224 HydrophobicContact CE1-CG 4.35Å; F219-L224 HydrophobicContact CZ-CB 4.23Å; F219-L224 HydrophobicContact CZ-CD1 4.29Å; D220-L224 PolarHBondContact O-N 3.3Å; D220-L224 VanDerWaalsContact O-N 3.09Å; N221-L224 PolarHBondContact O-N 2.69Å; L224-A226 VanDerWaalsContact C-N 3.35Å; L224-A226 PolarHBondContact O-N 2.57Å; L224-M227 HydrophobicContact CD1-CE 3.73Å; L224-M227 PolarHBondContact O-N 3.02Å; L224-I228 HydrophobicContact CD1-CD1 4.01Å; L224-I228 HydrophobicContact CD1-CG1 4.21Å; L224-I228 HydrophobicContact CG-CD1 3.9Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.06Å; L224-I228 PolarHBondContact O-N 3.46Å; L224-P253 HydrophobicContact CB-CG 4.44Å; L224-P253 HydrophobicContact CD2-CB 3.73Å; L224-P253 HydrophobicContact CD2-CG 4.24Å; L224-A257 HydrophobicContact CD2-CB 3.73Å; L224-A257 HydrophobicContact CG-CB 4.23Å; L224-W258 HydrophobicContact CD2-CD2 4.16Å; L224-W258 HydrophobicContact CD2-CE3 4.16Å; L224-W258 HydrophobicContact CD2-CZ3 4.37Å; L224-L261 HydrophobicContact CD1-CB 4.47Å; L224-L261 HydrophobicContact CD1-CD1 3.61Å
225K97.2Very high94.9Very high89 Ų8930 Ų3039%0.38717%0.165SC..Hα-helixtrans-60.4-43.6177.2-72.2173-179.6174.70112.1N221 D222 M227 I228 N229 A257N221-K225 WeakPolarHBondContact ND2-CE 3.17Å; N221-K225 PolarHBondContact ND2-NZ 3Å; N221-K225 WeakPolarHBondContact O-CG 3.3Å; N221-K225 PolarHBondContact O-N 3.38Å; D222-K225 PolarHBondContact O-N 3.28Å; K225-M227 PolarHBondContact O-N 3.25Å; K225-I228 PolarHBondContact O-N 3.04Å; K225-N229 VanDerWaalsContact O-CG 3.24Å; K225-N229 PolarHBondContact O-N 3.25Å; K225-N229 PolarHBondContact O-ND2 2.74Å; K225-A257 HydrophobicContact CG-CB 4.49Å
226A96.9Very high95.1Very high15 Ų1537.6 Ų37.612%0.12419%0.194CC..Hα-helixtrans-60.6-45.8177.400000111.1V203 K204 D222 A223 L224 N229 S230V203-A226 HydrophobicContact CG2-CB 3.72Å; K204-A226 HydrophobicContact CG-CB 4.07Å; D222-A226 WeakPolarHBondContact O-CB 3.23Å; D222-A226 PolarHBondContact O-N 3.01Å; A223-A226 PolarHBondContact O-N 2.86Å; L224-A226 VanDerWaalsContact C-N 3.35Å; L224-A226 PolarHBondContact O-N 2.57Å; A226-N229 PolarHBondContact O-N 3.15Å; A226-N229 VanDerWaalsContact O-N 3.13Å; A226-S230 WeakPolarHBondContact O-CB 3.34Å; A226-S230 PolarHBondContact O-N 3.44Å; A226-S230 PolarHBondContact O-OG 2.66Å
227M97.2Very high95.4Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-61.9-42.7176-171.918068.700112.3V203 F212 F219 A223 L224 K225 N229 S230 N231 L235 L238 L261V203-M227 HydrophobicContact CB-CB 4.02Å; V203-M227 HydrophobicContact CG2-CB 4.31Å; F212-M227 HydrophobicContact CD1-SD 4.14Å; F219-M227 HydrophobicContact CE2-SD 4.41Å; F219-M227 HydrophobicContact CZ-CE 3.92Å; F219-M227 HydrophobicContact CZ-SD 4.08Å; A223-M227 WeakPolarHBondContact O-CB 3.24Å; A223-M227 PolarHBondContact O-N 3.36Å; L224-M227 HydrophobicContact CD1-CE 3.73Å; L224-M227 PolarHBondContact O-N 3.02Å; K225-M227 PolarHBondContact O-N 3.25Å; M227-N229 PolarHBondContact O-N 2.82Å; M227-S230 PolarHBondContact O-N 3.3Å; M227-N231 WeakPolarHBondContact O-CB 3.42Å; M227-N231 PolarHBondContact O-N 2.82Å; M227-L235 HydrophobicContact CE-CD2 3.89Å; M227-L238 HydrophobicContact CE-CD1 4.31Å; M227-L238 HydrophobicContact CE-CD2 4.08Å; M227-L261 HydrophobicContact CE-CD1 4.39Å
228I97.4Very high95.7Very high15 Ų1538.4 Ų38.48%0.07720%0.196CC..Hα-helixtrans-59.7-36.3174.6-69.1164.4000110.6L224 K225 A260 L261 K264 W265L224-I228 HydrophobicContact CD1-CD1 4.01Å; L224-I228 HydrophobicContact CD1-CG1 4.21Å; L224-I228 HydrophobicContact CG-CD1 3.9Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.06Å; L224-I228 PolarHBondContact O-N 3.46Å; K225-I228 PolarHBondContact O-N 3.04Å; I228-A260 HydrophobicContact CD1-CB 4.03Å; I228-L261 HydrophobicContact CD1-CB 4Å; I228-L261 HydrophobicContact CG1-CB 4.41Å; I228-K264 HydrophobicContact CG2-CD 3.87Å; I228-K264 WeakPolarHBondContact O-CD 3.02Å; I228-K264 WeakPolarHBondContact O-CE 3.34Å; I228-K264 PolarHBondContact O-NZ 3.47Å; I228-W265 HydrophobicContact CG1-CH2 4.5Å; I228-W265 HydrophobicContact CG1-CZ3 3.98Å
229N96.8Very high96.1Very high135 Ų13538.6 Ų38.672%0.72220%0.198SC*.Hα-helixtrans-81.6-35.7-178.6-67.3-19000113K225 A226 M227K225-N229 VanDerWaalsContact O-CG 3.24Å; K225-N229 PolarHBondContact O-N 3.25Å; K225-N229 PolarHBondContact O-ND2 2.74Å; A226-N229 PolarHBondContact O-N 3.15Å; A226-N229 VanDerWaalsContact O-N 3.13Å; M227-N229 PolarHBondContact O-N 2.82Å
230S96.2Very high96.2Very high22 Ų2238.5 Ų38.515%0.15420%0.197CC..Hα-helixtrans-88.5-36-174.258.30000114.5V203 K204 A226 M227 Q232V203-S230 PolarHBondContact O-OG 3.39Å; K204-S230 WeakPolarHBondContact O-CB 3.5Å; A226-S230 WeakPolarHBondContact O-CB 3.34Å; A226-S230 PolarHBondContact O-N 3.44Å; A226-S230 PolarHBondContact O-OG 2.66Å; M227-S230 PolarHBondContact O-N 3.3Å; S230-Q232 PolarHBondContact O-N 3.26Å
231N94.9Very high96.2Very high0 Ų039.4 Ų39.40%020%0.202CC..  trans-74.3115.6-173.7-175.818.1000110.5T207 H208 I209 M227 G233 K264 W265T207-N231 VanDerWaalsContact C-OD1 3.23Å; T207-N231 PolarHBondContact O-OD1 3.09Å; H208-N231 PolarHBondContact N-OD1 3.36Å; I209-N231 HydrophobicContact CG2-CB 4.3Å; I209-N231 WeakPolarHBondContact CG2-ND2 3.14Å; I209-N231 PolarHBondContact N-OD1 3.03Å; I209-N231 PolarHBondContact O-ND2 3.16Å; M227-N231 WeakPolarHBondContact O-CB 3.42Å; M227-N231 PolarHBondContact O-N 2.82Å; N231-G233 WeakPolarHBondContact OD1-CA 3.37Å; N231-G233 PolarHBondContact OD1-N 3.38Å; N231-K264 PolarHBondContact O-NZ 3.41Å; N231-W265 HydrophobicContact CB-CH2 3.93Å; N231-W265 HydrophobicContact CB-CZ2 3.8Å; N231-W265 WeakPolarHBondContact ND2-CZ2 3.32Å
232Q92.9Very high96.1Very high153 Ų15338.8 Ų38.872%0.71520%0.198SC*.  trans-89.7-12.4175-58.7179.52.600112T207 S230T207-Q232 CarbonylContact O-C 3.59Å; T207-Q232 WeakPolarHBondContact O-CA 3.47Å; T207-Q232 PolarHBondContact O-N 3.24Å; S230-Q232 PolarHBondContact O-N 3.26Å
233G90.1Very high95.8Very high14 Ų1436.6 Ų36.614%0.14419%0.185CC..SBendtrans-72.2179.6176.500000114.2T207 N231 W265T207-G233 PolarHBondContact O-N 3.01Å; N231-G233 WeakPolarHBondContact OD1-CA 3.37Å; N231-G233 PolarHBondContact OD1-N 3.38Å; G233-W265 PolarHBondContact O-NE1 2.97Å
234S93.2Very high95.4Very high78 Ų7843.2 Ų43.255%0.54521%0.211SC..  trans-97.594.9172.2-64.80000109.2R236S234-R236 PolarHBondContact O-N 3.18Å; S234-R236 VanDerWaalsContact O-N 3.11Å
235L97.7Very high94.7Very high5 Ų546.4 Ų46.43%0.02624%0.237CC..  trans-62.4117.1175.2-174.271.4000108.9I209 M227 L238 L261 W265 A268I209-L235 HydrophobicContact CG2-CD1 4.41Å; M227-L235 HydrophobicContact CE-CD2 3.89Å; L235-L238 HydrophobicContact CD2-CB 4.41Å; L235-L261 HydrophobicContact CD2-CD1 3.97Å; L235-W265 HydrophobicContact CB-CB 4.48Å; L235-W265 HydrophobicContact CB-CD2 3.52Å; L235-W265 HydrophobicContact CB-CE3 3.69Å; L235-W265 HydrophobicContact CB-CG 3.9Å; L235-W265 HydrophobicContact CB-CH2 4.28Å; L235-W265 HydrophobicContact CB-CZ2 4.14Å; L235-W265 HydrophobicContact CB-CZ3 4.08Å; L235-W265 HydrophobicContact CD2-CD2 4.4Å; L235-W265 HydrophobicContact CD2-CE3 3.69Å; L235-W265 HydrophobicContact CD2-CH2 4.46Å; L235-W265 HydrophobicContact CD2-CZ3 3.73Å; L235-W265 HydrophobicContact CG-CE3 4.35Å; L235-A268 WeakPolarHBondContact O-CB 3.41Å
236R97.7Very high93.8Very high160 Ų16042.4 Ų42.460%0.60422%0.22SC*.  trans-100.1-33179-65.2-179.3-179.8-1790.7111.7E210 S234 A269E210-R236 WeakPolarHBondContact O-CA 3.26Å; E210-R236 PolarHBondContact O-N 2.76Å; S234-R236 PolarHBondContact O-N 3.18Å; S234-R236 VanDerWaalsContact O-N 3.11Å; R236-A269 PolarHBondContact O-N 3.29Å
237H98.5Very high92.9Very high29 Ų2941.7 Ų41.713%0.13421%0.214CC..EExtended strand (participates in β ladder)trans-147.7132.7-173.6-176.5-120.5000112.7E210 D211 F212 A269 T271E210-H237 PolarHBondContact O-N 2.91Å; D211-H237 WeakPolarHBondContact CA-O 3.18Å; D211-H237 HydrophobicContact CB-CB 4.27Å; D211-H237 VanDerWaalsContact CG-ND1 3.31Å; D211-H237 IonicContact OD1-CE1 3.78Å; D211-H237 IonicContact OD1-CG 2.69Å; D211-H237 IonicContact OD1-ND1 2.84Å; D211-H237 PolarHBondContact OD1-ND1 2.93Å; D211-H237 IonicContact OD2-ND1 3.14Å; D211-H237 PolarHBondContact OD2-ND1 3.48Å; F212-H237 PolarHBondContact N-O 2.9Å; H237-A269 WeakPolarHBondContact CA-O 3.28Å; H237-A269 PolarHBondContact CD2-O 2.93Å; H237-T271 WeakPolarHBondContact NE2-CB 3.47Å; H237-T271 PolarHBondContact NE2-OG1 3.45Å
238L98.2Very high92.1Very high1 Ų147.5 Ų47.51%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-129.4116.5173.2-175.264.3000109.1F212 M227 L235 F240 W258 L261 A269 V270 T271F212-L238 HydrophobicContact CB-CD1 4Å; F212-L238 HydrophobicContact CD1-CD1 3.88Å; F212-L238 HydrophobicContact CG-CD1 4.36Å; F212-L238 CarbonylContact O-C 3.5Å; F212-L238 WeakPolarHBondContact O-CA 3.38Å; M227-L238 HydrophobicContact CE-CD1 4.31Å; M227-L238 HydrophobicContact CE-CD2 4.08Å; L235-L238 HydrophobicContact CD2-CB 4.41Å; L238-F240 HydrophobicContact CD1-CE2 4.24Å; L238-F240 HydrophobicContact CD1-CZ 3.96Å; L238-F240 HydrophobicContact CD2-CE2 3.56Å; L238-F240 HydrophobicContact CD2-CZ 3.6Å; L238-F240 HydrophobicContact CG-CD2 4.44Å; L238-F240 HydrophobicContact CG-CE2 3.46Å; L238-F240 VanDerWaalsContact CG-CE2 3.46Å; L238-F240 HydrophobicContact CG-CZ 3.63Å; L238-W258 HydrophobicContact CD2-CH2 4.22Å; L238-W258 HydrophobicContact CD2-CZ3 4.09Å; L238-L261 HydrophobicContact CD2-CD1 3.92Å; L238-A269 PolarHBondContact N-O 2.93Å; L238-V270 HydrophobicContact CB-CG2 4.35Å; L238-V270 VanDerWaalsContact O-CA 3.27Å; L238-V270 WeakPolarHBondContact O-CA 3.47Å; L238-T271 PolarHBondContact O-N 2.87Å
239S98.2Very high91.3Very high4 Ų451 Ų513%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-113.9134.9-177.6-178.90000111.6Q186 F212 R213 I214 T271Q186-S239 VanDerWaalsContact NE2-C 3.25Å; Q186-S239 PolarHBondContact NE2-O 3.49Å; Q186-S239 PolarHBondContact NE2-OG 3.07Å; Q186-S239 PolarHBondContact OE1-OG 3Å; F212-S239 PolarHBondContact O-N 2.88Å; R213-S239 WeakPolarHBondContact CA-O 3.3Å; I214-S239 PolarHBondContact N-O 3.29Å; S239-T271 WeakPolarHBondContact CA-O 3.3Å
240F96.5Very high90.3Very high0 Ų053.6 Ų53.60%026%0.26CS..EExtended strand (participates in β ladder)trans-117.6131172.2-61.5-79.2000111.6I214 M216 F219 L238 W258 V270 T271 L272 T273I214-F240 HydrophobicContact CG2-CD1 3.84Å; I214-F240 HydrophobicContact CG2-CE1 3.66Å; I214-F240 WeakPolarHBondContact O-CA 3.37Å; M216-F240 HydrophobicContact CB-CB 4.27Å; M216-F240 HydrophobicContact CB-CD1 4.4Å; M216-F240 HydrophobicContact CE-CB 4.49Å; M216-F240 HydrophobicContact CE-CG 4.28Å; M216-F240 HydrophobicContact SD-CD1 3.9Å; M216-F240 HydrophobicContact SD-CE1 4.32Å; M216-F240 HydrophobicContact SD-CG 4.16Å; F219-F240 HydrophobicContact CB-CE1 3.74Å; F219-F240 AromaticContact CD1-CE1 3.56Å; F219-F240 HydrophobicContact CD1-CE1 3.56Å; F219-F240 AromaticContact CD1-CZ 3.65Å; F219-F240 HydrophobicContact CD1-CZ 3.65Å; F219-F240 HydrophobicContact CE1-CE1 4.27Å; F219-F240 AromaticContact CE1-CZ 3.94Å; F219-F240 HydrophobicContact CE1-CZ 3.94Å; F219-F240 AromaticContact CG-CE1 3.71Å; F219-F240 HydrophobicContact CG-CE1 3.71Å; F219-F240 HydrophobicContact CG-CZ 4.22Å; L238-F240 HydrophobicContact CD1-CE2 4.24Å; L238-F240 HydrophobicContact CD1-CZ 3.96Å; L238-F240 HydrophobicContact CD2-CE2 3.56Å; L238-F240 HydrophobicContact CD2-CZ 3.6Å; L238-F240 HydrophobicContact CG-CD2 4.44Å; L238-F240 HydrophobicContact CG-CE2 3.46Å; L238-F240 VanDerWaalsContact CG-CE2 3.46Å; L238-F240 HydrophobicContact CG-CZ 3.63Å; F240-W258 HydrophobicContact CD2-CH2 4.47Å; F240-W258 AromaticContact CE2-CH2 3.64Å; F240-W258 HydrophobicContact CE2-CH2 3.64Å; F240-W258 HydrophobicContact CE2-CZ2 4.4Å; F240-W258 HydrophobicContact CZ-CH2 4.22Å; F240-V270 HydrophobicContact CD2-CG1 4.46Å; F240-T271 PolarHBondContact N-O 2.93Å; F240-L272 HydrophobicContact CB-CD2 3.89Å; F240-L272 HydrophobicContact CD2-CD2 3.99Å; F240-L272 HydrophobicContact CG-CD2 4.36Å; F240-T273 PolarHBondContact O-N 3.39Å
241L94.4Very high89.8Confident22 Ų2256 Ų5612%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-96.6115.8163.4-177.467000107.8Q186 I214 F215 M216 R243 T273Q186-L241 HydrophobicContact CB-CB 4.44Å; Q186-L241 HydrophobicContact CG-CB 4.07Å; I214-L241 PolarHBondContact O-N 2.98Å; F215-L241 WeakPolarHBondContact CA-O 3.46Å; F215-L241 HydrophobicContact CD1-CB 4.07Å; F215-L241 HydrophobicContact CD1-CD2 3.92Å; F215-L241 HydrophobicContact CD1-CG 4.38Å; F215-L241 HydrophobicContact CE1-CD2 3.71Å; M216-L241 PolarHBondContact N-O 3.31Å; L241-R243 HydrophobicContact CG-CG 4.44Å; L241-T273 HydrophobicContact CD1-CG2 3.56Å
242C94Very high89.6Confident0 Ų058.1 Ų58.10%028%0.279CS..EExtended strand (participates in β ladder)trans-97115.8-178.8-56.50000110D246 T273 F274 S275 Y278 I286C242-D246 WeakPolarHBondContact CA-OD2 2.98Å; C242-T273 PolarHBondContact N-O 3.06Å; C242-F274 HydrophobicContact CB-CD1 3.69Å; C242-F274 HydrophobicContact CB-CE1 4.03Å; C242-F274 HydrophobicContact CB-CG 4.46Å; C242-S275 WeakPolarHBondContact O-CB 3.47Å; C242-S275 PolarHBondContact O-N 3.32Å; C242-S275 PolarHBondContact O-OG 3.27Å; C242-Y278 HydrophobicContact CB-CD2 3.88Å; C242-Y278 HydrophobicContact CB-CE2 3.85Å; C242-I286 HydrophobicContact CB-CD1 4.25Å
243R90.2Very high89.6Confident26 Ų2651.1 Ų51.110%0.09825%0.247CC..  trans-108.2162.7178.9-65.5-177178.1170.9-0.5112.6N187 Q189 V190 L241 A245 D246 S275 Y278N187-R243 PolarHBondContact O-NH2 3.38Å; Q189-R243 PolarHBondContact O-NH1 3.46Å; Q189-R243 PolarHBondContact O-NH2 2.85Å; V190-R243 PolarHBondContact O-NH1 2.91Å; L241-R243 HydrophobicContact CG-CG 4.44Å; R243-A245 PolarHBondContact O-N 3.4Å; R243-D246 PolarHBondContact N-OD2 3.36Å; R243-D246 WeakPolarHBondContact O-CA 3.38Å; R243-D246 WeakPolarHBondContact O-CB 3.22Å; R243-D246 PolarHBondContact O-N 2.92Å; R243-S275 VanDerWaalsContact CA-OG 3.29Å; R243-S275 WeakPolarHBondContact CA-OG 3.47Å; R243-Y278 VanDerWaalsContact O-CD2 3.24Å; R243-Y278 WeakPolarHBondContact O-CD2 3.45Å; R243-Y278 WeakPolarHBondContact O-CE2 3.2Å
244Y87.7Confident89.9Confident140 Ų14053 Ų5355%0.54926%0.256SS..G310 helixtrans-48.1-45.7178.7-179.5-100.4000112.6D246 A247 F248 G277 P279Y244-D246 PolarHBondContact O-N 3.15Å; Y244-D246 VanDerWaalsContact O-N 3.13Å; Y244-A247 VanDerWaalsContact O-CB 3.22Å; Y244-A247 WeakPolarHBondContact O-CB 3.26Å; Y244-A247 PolarHBondContact O-N 3.22Å; Y244-A247 VanDerWaalsContact O-N 3.17Å; Y244-F248 HydrophobicContact CD1-CE2 4.2Å; Y244-F248 HydrophobicContact CD2-CE2 4.47Å; Y244-F248 AromaticContact CE1-CE2 3.7Å; Y244-F248 HydrophobicContact CE1-CE2 3.7Å; Y244-F248 HydrophobicContact CE1-CZ 4.36Å; Y244-F248 HydrophobicContact CE2-CE2 4.02Å; Y244-F248 HydrophobicContact CE2-CZ 4.19Å; Y244-F248 AromaticContact CZ-CE2 3.6Å; Y244-F248 AromaticContact CZ-CZ 3.84Å; Y244-G277 VanDerWaalsContact CD2-O 3.27Å; Y244-G277 WeakPolarHBondContact CD2-O 3.24Å; Y244-P279 HydrophobicContact CD2-CG 3.96Å; Y244-P279 HydrophobicContact CE2-CG 3.86Å
245A82.1Confident90Very high67 Ų6752.3 Ų52.355%0.55424%0.244SC*.G310 helixtrans-61.2-22.2178.300000114.1R243 A247R243-A245 PolarHBondContact O-N 3.4Å; A245-A247 VanDerWaalsContact C-N 3.34Å
246D79Confident89.9Confident4 Ų455.5 Ų55.52%0.02127%0.266CS..G310 helixtrans-80-22.1-177.4-51.2-15.3000111.7M216 A217 C242 R243 Y244 F248 R249 R252 Y278M216-D246 HydrophobicContact CB-CB 4.27Å; M216-D246 HydrophobicContact CG-CB 4.49Å; A217-D246 WeakPolarHBondContact CA-OD1 3.47Å; A217-D246 WeakPolarHBondContact CB-OD1 3.25Å; A217-D246 VanDerWaalsContact N-CG 3.31Å; A217-D246 PolarHBondContact N-OD1 2.85Å; A217-D246 PolarHBondContact N-OD2 2.85Å; C242-D246 WeakPolarHBondContact CA-OD2 2.98Å; R243-D246 PolarHBondContact N-OD2 3.36Å; R243-D246 WeakPolarHBondContact O-CA 3.38Å; R243-D246 WeakPolarHBondContact O-CB 3.22Å; R243-D246 PolarHBondContact O-N 2.92Å; Y244-D246 PolarHBondContact O-N 3.15Å; Y244-D246 VanDerWaalsContact O-N 3.13Å; D246-F248 PolarHBondContact O-N 2.96Å; D246-R249 PolarHBondContact O-N 2.81Å; D246-R252 PolarHBondContact O-NH1 2.82Å; D246-Y278 HydrophobicContact CB-CE2 4.36Å
247A77.4Confident89.9Confident1 Ų148 Ų481%0.00824%0.238CC..THydrogen-bonded Turntrans-60.1-31.1-177.600000112.5Y244 A245 R252 Y278 P279 K282Y244-A247 VanDerWaalsContact O-CB 3.22Å; Y244-A247 WeakPolarHBondContact O-CB 3.26Å; Y244-A247 PolarHBondContact O-N 3.22Å; Y244-A247 VanDerWaalsContact O-N 3.17Å; A245-A247 VanDerWaalsContact C-N 3.34Å; A247-R252 PolarHBondContact O-NH1 2.83Å; A247-Y278 HydrophobicContact CB-CE2 4.01Å; A247-P279 HydrophobicContact CB-CG 3.83Å; A247-K282 HydrophobicContact CB-CB 4.33Å; A247-K282 HydrophobicContact CB-CG 4.13Å
248F80.3Confident89.8Confident122 Ų12246.8 Ų46.854%0.53523%0.233SC..THydrogen-bonded Turntrans-98.70.4-172.5-53.6-78.7000114.3Y244 D246 P279Y244-F248 HydrophobicContact CD1-CE2 4.2Å; Y244-F248 HydrophobicContact CD2-CE2 4.47Å; Y244-F248 AromaticContact CE1-CE2 3.7Å; Y244-F248 HydrophobicContact CE1-CE2 3.7Å; Y244-F248 HydrophobicContact CE1-CZ 4.36Å; Y244-F248 HydrophobicContact CE2-CE2 4.02Å; Y244-F248 HydrophobicContact CE2-CZ 4.19Å; Y244-F248 AromaticContact CZ-CE2 3.6Å; Y244-F248 AromaticContact CZ-CZ 3.84Å; D246-F248 PolarHBondContact O-N 2.96Å; F248-P279 HydrophobicContact CZ-CG 4.44Å
249R80.7Confident89.8Confident87 Ų8752 Ų5233%0.32826%0.257SS..  trans-73.6138.6177.6-66.9-161.9-177.6-150.4-2.3111.4A217 D246 R252A217-R249 VanDerWaalsContact C-CZ 3.46Å; A217-R249 VanDerWaalsContact CB-CZ 3.45Å; A217-R249 VanDerWaalsContact O-CD 3.28Å; A217-R249 WeakPolarHBondContact O-CD 3.41Å; A217-R249 PolarHBondContact O-NE 2.98Å; A217-R249 PolarHBondContact O-NH1 2.77Å; D246-R249 PolarHBondContact O-N 2.81Å; R249-R252 PolarHBondContact O-NH1 3.28Å; R249-R252 VanDerWaalsContact O-NH1 3.1Å; R249-R252 PolarHBondContact O-NH2 2.99Å
250Q77Confident89.8Confident190 Ų19053.7 Ų53.789%0.88827%0.272SS*.SBendtrans-86.7-41.3-179.9-65.8-179-600112.6R252Q250-R252 PolarHBondContact O-N 3.09Å
251N85.1Confident89.8Confident74 Ų7453.7 Ų53.740%0.39627%0.272SS..  trans-89.488.9-176.3-162.715.5000111.4D220D220-N251 WeakPolarHBondContact CA-O 3.35Å; D220-N251 HydrophobicContact CB-CB 4.17Å; D220-N251 WeakPolarHBondContact CB-O 3.39Å; D220-N251 PolarHBondContact OD2-ND2 3Å
252R90.1Very high89.9Confident43 Ų4354.3 Ų54.316%0.16228%0.278CS..  trans-110.8158.5175-75.9-178.9-78.4-113.2-6.5110.5N221 D246 A247 R249 Q250 T254N221-R252 WeakPolarHBondContact CB-O 3.17Å; D246-R252 PolarHBondContact O-NH1 2.82Å; A247-R252 PolarHBondContact O-NH1 2.83Å; R249-R252 PolarHBondContact O-NH1 3.28Å; R249-R252 VanDerWaalsContact O-NH1 3.1Å; R249-R252 PolarHBondContact O-NH2 2.99Å; Q250-R252 PolarHBondContact O-N 3.09Å; R252-T254 PolarHBondContact O-N 2.97Å
253P94.5Very high90.1Very high7 Ų763.1 Ų63.15%0.04532%0.316CS..  trans-47.2124.3168.9-33.340.4000113F219 L224 W258F219-P253 HydrophobicContact CD1-CG 4.29Å; L224-P253 HydrophobicContact CB-CG 4.44Å; L224-P253 HydrophobicContact CD2-CB 3.73Å; L224-P253 HydrophobicContact CD2-CG 4.24Å; P253-W258 HydrophobicContact CB-CZ2 3.75Å; P253-W258 HydrophobicContact CG-CZ2 4.14Å
254T94.8Very high90.4Very high54 Ų5465.9 Ų65.933%0.33133%0.329SS..  trans-84.4163.5-179.558.80000111.7N221 R252 S256 A257 W258N221-T254 PolarHBondContact OD1-N 3.38Å; N221-T254 PolarHBondContact OD1-OG1 2.93Å; N221-T254 VanDerWaalsContact OD1-OG1 3.07Å; R252-T254 PolarHBondContact O-N 2.97Å; T254-S256 PolarHBondContact O-N 3.23Å; T254-S256 PolarHBondContact OG1-OG 3.36Å; T254-A257 PolarHBondContact O-N 2.62Å; T254-W258 VanDerWaalsContact O-CD1 3.23Å; T254-W258 PolarHBondContact O-N 3.46Å; T254-W258 VanDerWaalsContact O-N 3.1Å
255E95.2Very high90.9Very high63 Ų6360.1 Ų60.129%0.29431%0.306SS..Hα-helixtrans-49.8-45.1174.3-169.171.9-174.900111.9A257 W258 Q259 L288 S290E255-A257 VanDerWaalsContact C-N 3.33Å; E255-A257 PolarHBondContact O-N 2.98Å; E255-W258 PolarHBondContact O-N 3.26Å; E255-Q259 VanDerWaalsContact O-CG 3.3Å; E255-Q259 WeakPolarHBondContact O-CG 3.46Å; E255-Q259 PolarHBondContact O-N 2.72Å; E255-L288 VanDerWaalsContact OE2-CB 3.24Å; E255-L288 WeakPolarHBondContact OE2-CB 3.3Å; E255-S290 WeakPolarHBondContact OE1-CB 3.37Å; E255-S290 PolarHBondContact OE1-N 3.46Å; E255-S290 PolarHBondContact OE1-OG 2.96Å; E255-S290 WeakPolarHBondContact OE2-CB 3.37Å; E255-S290 PolarHBondContact OE2-OG 3.27Å
256S96.6Very high91.5Very high71 Ų7161.6 Ų61.650%0.49731%0.31SS..Hα-helixtrans-63.2-34.717854.20000113.7T254 A260T254-S256 PolarHBondContact O-N 3.23Å; T254-S256 PolarHBondContact OG1-OG 3.36Å; S256-A260 WeakPolarHBondContact O-CB 3.48Å; S256-A260 PolarHBondContact O-N 2.87Å
257A96.8Very high92.3Very high2 Ų269.7 Ų69.72%0.01735%0.348CS..Hα-helixtrans-73.9-36.9178.300000111.5N221 L224 K225 T254 E255 A260 L261N221-A257 WeakPolarHBondContact OD1-CB 3.27Å; L224-A257 HydrophobicContact CD2-CB 3.73Å; L224-A257 HydrophobicContact CG-CB 4.23Å; K225-A257 HydrophobicContact CG-CB 4.49Å; T254-A257 PolarHBondContact O-N 2.62Å; E255-A257 VanDerWaalsContact C-N 3.33Å; E255-A257 PolarHBondContact O-N 2.98Å; A257-A260 PolarHBondContact O-N 2.95Å; A257-L261 PolarHBondContact O-N 3.13Å
258W97.4Very high93.2Very high4 Ų469.8 Ų69.82%0.01535%0.348CS..Hα-helixtrans-67-38.6172.2-73120.3000113.4L224 L238 F240 P253 T254 E255 A260 L261 S262 V270 S290 V291L224-W258 HydrophobicContact CD2-CD2 4.16Å; L224-W258 HydrophobicContact CD2-CE3 4.16Å; L224-W258 HydrophobicContact CD2-CZ3 4.37Å; L238-W258 HydrophobicContact CD2-CH2 4.22Å; L238-W258 HydrophobicContact CD2-CZ3 4.09Å; F240-W258 HydrophobicContact CD2-CH2 4.47Å; F240-W258 AromaticContact CE2-CH2 3.64Å; F240-W258 HydrophobicContact CE2-CH2 3.64Å; F240-W258 HydrophobicContact CE2-CZ2 4.4Å; F240-W258 HydrophobicContact CZ-CH2 4.22Å; P253-W258 HydrophobicContact CB-CZ2 3.75Å; P253-W258 HydrophobicContact CG-CZ2 4.14Å; T254-W258 VanDerWaalsContact O-CD1 3.23Å; T254-W258 PolarHBondContact O-N 3.46Å; T254-W258 VanDerWaalsContact O-N 3.1Å; E255-W258 PolarHBondContact O-N 3.26Å; W258-A260 VanDerWaalsContact C-N 3.34Å; W258-L261 HydrophobicContact CE3-CD1 4.4Å; W258-L261 HydrophobicContact CE3-CD2 4.43Å; W258-L261 HydrophobicContact CZ3-CD1 4.18Å; W258-L261 PolarHBondContact O-N 3.3Å; W258-S262 WeakPolarHBondContact O-CB 3.35Å; W258-S262 PolarHBondContact O-N 2.85Å; W258-S262 PolarHBondContact O-OG 2.92Å; W258-V270 HydrophobicContact CH2-CG2 4.3Å; W258-V270 HydrophobicContact CZ3-CG2 3.72Å; W258-S290 WeakPolarHBondContact CB-OG 3.4Å; W258-V291 HydrophobicContact CD2-CG2 3.86Å; W258-V291 HydrophobicContact CE3-CG2 4.5Å; W258-V291 HydrophobicContact CG-CG2 3.96Å; W258-V291 HydrophobicContact CZ2-CG2 4.29Å
259Q97.4Very high94Very high110 Ų11065 Ų6551%0.51433%0.332SS..Hα-helixtrans-62.7-43172.1-72.8174.2-5.400111E255 L261 S262 K263E255-Q259 VanDerWaalsContact O-CG 3.3Å; E255-Q259 WeakPolarHBondContact O-CG 3.46Å; E255-Q259 PolarHBondContact O-N 2.72Å; Q259-L261 PolarHBondContact O-N 2.96Å; Q259-S262 PolarHBondContact O-N 3.17Å; Q259-K263 WeakPolarHBondContact O-CB 3.37Å; Q259-K263 PolarHBondContact O-N 2.85Å
260A97.7Very high94.8Very high41 Ų4160.9 Ų60.934%0.33932%0.316SS..Hα-helixtrans-62.4-40.9174.600000112.2I228 S256 A257 W258 K263 K264I228-A260 HydrophobicContact CD1-CB 4.03Å; S256-A260 WeakPolarHBondContact O-CB 3.48Å; S256-A260 PolarHBondContact O-N 2.87Å; A257-A260 PolarHBondContact O-N 2.95Å; W258-A260 VanDerWaalsContact C-N 3.34Å; A260-K263 PolarHBondContact O-N 2.91Å; A260-K264 WeakPolarHBondContact O-CB 3.41Å; A260-K264 PolarHBondContact O-N 3.04Å
261L97.7Very high95.9Very high0 Ų052.6 Ų52.60%028%0.278CS..Hα-helixtrans-59-50.6173177.2142.3000111.1L224 M227 I228 L235 L238 A257 W258 Q259 K263 K264 W265 A268 P292L224-L261 HydrophobicContact CD1-CB 4.47Å; L224-L261 HydrophobicContact CD1-CD1 3.61Å; M227-L261 HydrophobicContact CE-CD1 4.39Å; I228-L261 HydrophobicContact CD1-CB 4Å; I228-L261 HydrophobicContact CG1-CB 4.41Å; L235-L261 HydrophobicContact CD2-CD1 3.97Å; L238-L261 HydrophobicContact CD2-CD1 3.92Å; A257-L261 PolarHBondContact O-N 3.13Å; W258-L261 HydrophobicContact CE3-CD1 4.4Å; W258-L261 HydrophobicContact CE3-CD2 4.43Å; W258-L261 HydrophobicContact CZ3-CD1 4.18Å; W258-L261 PolarHBondContact O-N 3.3Å; Q259-L261 PolarHBondContact O-N 2.96Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 3.44Å; L261-K264 PolarHBondContact O-N 2.67Å; L261-W265 HydrophobicContact CG-CE3 4.12Å; L261-W265 HydrophobicContact CG-CZ3 4.48Å; L261-W265 PolarHBondContact O-N 3.48Å; L261-A268 HydrophobicContact CD2-CB 4.17Å; L261-P292 HydrophobicContact CD2-CG 3.68Å
262S96.9Very high96.5Very high35 Ų3549.1 Ų49.125%0.24526%0.26CS..Hα-helixtrans-66.3-32.5-177.6-55.50000112W258 Q259 W265 P266W258-S262 WeakPolarHBondContact O-CB 3.35Å; W258-S262 PolarHBondContact O-N 2.85Å; W258-S262 PolarHBondContact O-OG 2.92Å; Q259-S262 PolarHBondContact O-N 3.17Å; S262-W265 CarbonylContact O-C 3.53Å; S262-P266 VanDerWaalsContact O-CA 3.29Å; S262-P266 WeakPolarHBondContact O-CA 3.4Å
263K97.2Very high96.8Very high185 Ų18548.1 Ų48.180%0.80426%0.259SS*.Hα-helixtrans-68.1-41.4173.5-176.4178.3179.3179.70111.7Q259 A260 L261Q259-K263 WeakPolarHBondContact O-CB 3.37Å; Q259-K263 PolarHBondContact O-N 2.85Å; A260-K263 PolarHBondContact O-N 2.91Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 3.44Å
264K97.5Very high96.8Very high83 Ų8347.8 Ų47.836%0.36126%0.256SS..Hα-helixtrans-72.8-41.8-179.7-172.2172.4-175.7179.40112I228 N231 A260 L261I228-K264 HydrophobicContact CG2-CD 3.87Å; I228-K264 WeakPolarHBondContact O-CD 3.02Å; I228-K264 WeakPolarHBondContact O-CE 3.34Å; I228-K264 PolarHBondContact O-NZ 3.47Å; N231-K264 PolarHBondContact O-NZ 3.41Å; A260-K264 WeakPolarHBondContact O-CB 3.41Å; A260-K264 PolarHBondContact O-N 3.04Å; L261-K264 PolarHBondContact O-N 2.67Å
265W97.1Very high96.7Very high19 Ų1945.9 Ų45.97%0.07225%0.246CC..  trans-131.384.8-178.4-56.3-65.9000110.3I228 N231 G233 L235 L261 S262 E267 A268I228-W265 HydrophobicContact CG1-CH2 4.5Å; I228-W265 HydrophobicContact CG1-CZ3 3.98Å; N231-W265 HydrophobicContact CB-CH2 3.93Å; N231-W265 HydrophobicContact CB-CZ2 3.8Å; N231-W265 WeakPolarHBondContact ND2-CZ2 3.32Å; G233-W265 PolarHBondContact O-NE1 2.97Å; L235-W265 HydrophobicContact CB-CB 4.48Å; L235-W265 HydrophobicContact CB-CD2 3.52Å; L235-W265 HydrophobicContact CB-CE3 3.69Å; L235-W265 HydrophobicContact CB-CG 3.9Å; L235-W265 HydrophobicContact CB-CH2 4.28Å; L235-W265 HydrophobicContact CB-CZ2 4.14Å; L235-W265 HydrophobicContact CB-CZ3 4.08Å; L235-W265 HydrophobicContact CD2-CD2 4.4Å; L235-W265 HydrophobicContact CD2-CE3 3.69Å; L235-W265 HydrophobicContact CD2-CH2 4.46Å; L235-W265 HydrophobicContact CD2-CZ3 3.73Å; L235-W265 HydrophobicContact CG-CE3 4.35Å; L261-W265 HydrophobicContact CG-CE3 4.12Å; L261-W265 HydrophobicContact CG-CZ3 4.48Å; L261-W265 PolarHBondContact O-N 3.48Å; S262-W265 CarbonylContact O-C 3.53Å; W265-E267 PolarHBondContact O-N 3.27Å; W265-A268 HydrophobicContact CB-CB 3.77Å; W265-A268 VanDerWaalsContact O-CB 3.26Å; W265-A268 WeakPolarHBondContact O-CB 3.26Å; W265-A268 PolarHBondContact O-N 2.96Å
266P95.6Very high96.5Very high98 Ų9851.8 Ų51.864%0.63627%0.265SS*.THydrogen-bonded Turntrans-59.8-29.9-176.8-26.535.9000114.3S262S262-P266 VanDerWaalsContact O-CA 3.29Å; S262-P266 WeakPolarHBondContact O-CA 3.4Å
267E94.7Very high96.2Very high174 Ų17450.5 Ų50.581%0.81326%0.263SS*.THydrogen-bonded Turntrans-89.51179.7-60.2-55.9138.800113.6W265 A269W265-E267 PolarHBondContact O-N 3.27Å; E267-A269 PolarHBondContact O-N 3.16Å
268A96.8Very high96Very high3 Ų350.4 Ų50.43%0.02526%0.263CS..PPolyproline II helixtrans-65.6129179.900000111.2L235 L261 W265 P292L235-A268 WeakPolarHBondContact O-CB 3.41Å; L261-A268 HydrophobicContact CD2-CB 4.17Å; W265-A268 HydrophobicContact CB-CB 3.77Å; W265-A268 VanDerWaalsContact O-CB 3.26Å; W265-A268 WeakPolarHBondContact O-CB 3.26Å; W265-A268 PolarHBondContact O-N 2.96Å; A268-P292 WeakPolarHBondContact O-CB 3.43Å
269A97.3Very high95.7Very high22 Ų2251 Ų5118%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-99.4131176.500000111.1R236 H237 L238 E267 K294R236-A269 PolarHBondContact O-N 3.29Å; H237-A269 WeakPolarHBondContact CA-O 3.28Å; H237-A269 PolarHBondContact CD2-O 2.93Å; L238-A269 PolarHBondContact N-O 2.93Å; E267-A269 PolarHBondContact O-N 3.16Å; A269-K294 HydrophobicContact CB-CB 3.93Å; A269-K294 HydrophobicContact CB-CG 3.57Å
270V98.3Very high95.3Very high0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-99.7135.5169173.50000110.9L238 F240 W258 L272 V291 P292 L293 K294 T295L238-V270 HydrophobicContact CB-CG2 4.35Å; L238-V270 VanDerWaalsContact O-CA 3.27Å; L238-V270 WeakPolarHBondContact O-CA 3.47Å; F240-V270 HydrophobicContact CD2-CG1 4.46Å; W258-V270 HydrophobicContact CH2-CG2 4.3Å; W258-V270 HydrophobicContact CZ3-CG2 3.72Å; V270-L272 HydrophobicContact CG1-CD2 4.19Å; V270-L272 HydrophobicContact CG1-CG 4.22Å; V270-V291 HydrophobicContact CB-CG1 3.83Å; V270-V291 HydrophobicContact CG1-CG1 3.64Å; V270-V291 HydrophobicContact CG2-CG1 4.13Å; V270-P292 HydrophobicContact CG2-CG 3.83Å; V270-P292 PolarHBondContact N-O 2.99Å; V270-L293 HydrophobicContact CG1-CD1 4.25Å; V270-K294 PolarHBondContact O-N 2.9Å; V270-T295 PolarHBondContact O-N 3Å
271T98.5Very high94.9Very high16 Ų1652 Ų5210%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-113.8128.3169.4-64.50000110.1H237 L238 S239 F240 T295H237-T271 WeakPolarHBondContact NE2-CB 3.47Å; H237-T271 PolarHBondContact NE2-OG1 3.45Å; L238-T271 PolarHBondContact O-N 2.87Å; S239-T271 WeakPolarHBondContact CA-O 3.3Å; F240-T271 PolarHBondContact N-O 2.93Å; T271-T295 VanDerWaalsContact CA-O 3.31Å; T271-T295 WeakPolarHBondContact CA-O 3.48Å; T271-T295 HydrophobicContact CG2-CG2 3.9Å; T271-T295 WeakPolarHBondContact OG1-CB 3.46Å
272L97.6Very high94.6Very high1 Ų154.9 Ų54.91%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-114.1125.7172-63.6177000109.8M216 F240 V270 F274 I286 M287 L293 T295 V296 C297M216-L272 HydrophobicContact CE-CD2 4.49Å; F240-L272 HydrophobicContact CB-CD2 3.89Å; F240-L272 HydrophobicContact CD2-CD2 3.99Å; F240-L272 HydrophobicContact CG-CD2 4.36Å; V270-L272 HydrophobicContact CG1-CD2 4.19Å; V270-L272 HydrophobicContact CG1-CG 4.22Å; L272-F274 HydrophobicContact CB-CE2 3.96Å; L272-F274 HydrophobicContact CB-CZ 4.29Å; L272-F274 HydrophobicContact CD1-CE2 4.46Å; L272-F274 HydrophobicContact CD1-CZ 4.24Å; L272-I286 HydrophobicContact CD1-CG2 3.89Å; L272-I286 HydrophobicContact CD2-CG2 4.07Å; L272-M287 HydrophobicContact CD1-CG 3.97Å; L272-L293 HydrophobicContact CB-CD1 4.01Å; L272-L293 HydrophobicContact CD1-CD1 3.72Å; L272-L293 HydrophobicContact CD1-CD2 4.33Å; L272-L293 HydrophobicContact CG-CD1 3.59Å; L272-T295 PolarHBondContact N-O 3.46Å; L272-V296 CarbonylContact O-C 3.47Å; L272-V296 WeakPolarHBondContact O-CA 3.24Å; L272-C297 PolarHBondContact O-N 3.32Å
273T96.8Very high94.3Very high22 Ų2253.3 Ų53.314%0.13528%0.275CS..EExtended strand (participates in β ladder)trans-117115.6172.4-58.20000109.5F240 L241 C242 C297 E299F240-T273 PolarHBondContact O-N 3.39Å; L241-T273 HydrophobicContact CD1-CG2 3.56Å; C242-T273 PolarHBondContact N-O 3.06Å; T273-C297 CarbonylContact C-O 3.37Å; T273-C297 WeakPolarHBondContact CA-O 3.13Å; T273-C297 HydrophobicContact CG2-CB 4.01Å; T273-E299 HydrophobicContact CG2-CG 4.14Å
274F95.6Very high94Very high0 Ų052.8 Ų52.80%027%0.268CS..EExtended strand (participates in β ladder)trans-93.5108.1176.1-62.6-82.5000109.5C242 L272 Y278 F283 I286 M287 V296 C297 F298 E299C242-F274 HydrophobicContact CB-CD1 3.69Å; C242-F274 HydrophobicContact CB-CE1 4.03Å; C242-F274 HydrophobicContact CB-CG 4.46Å; L272-F274 HydrophobicContact CB-CE2 3.96Å; L272-F274 HydrophobicContact CB-CZ 4.29Å; L272-F274 HydrophobicContact CD1-CE2 4.46Å; L272-F274 HydrophobicContact CD1-CZ 4.24Å; F274-Y278 AromaticContact CD1-CD1 3.68Å; F274-Y278 HydrophobicContact CD1-CD1 3.68Å; F274-Y278 HydrophobicContact CD1-CD2 4.34Å; F274-Y278 AromaticContact CD1-CE1 3.92Å; F274-Y278 HydrophobicContact CD1-CE1 3.92Å; F274-Y278 AromaticContact CD1-CG 3.93Å; F274-Y278 HydrophobicContact CD1-CG 3.93Å; F274-Y278 HydrophobicContact CE1-CD1 4.25Å; F274-Y278 HydrophobicContact CE1-CE1 4.01Å; F274-F283 HydrophobicContact CB-CE1 4.08Å; F274-F283 AromaticContact CD1-CD1 3.69Å; F274-F283 HydrophobicContact CD1-CD1 3.69Å; F274-F283 AromaticContact CD1-CE1 3.66Å; F274-F283 HydrophobicContact CD1-CE1 3.66Å; F274-F283 HydrophobicContact CD2-CE1 4.35Å; F274-F283 AromaticContact CE1-CD1 3.69Å; F274-F283 HydrophobicContact CE1-CD1 3.69Å; F274-F283 HydrophobicContact CE1-CE1 4.16Å; F274-F283 HydrophobicContact CG-CD1 4.12Å; F274-F283 AromaticContact CG-CE1 3.76Å; F274-F283 HydrophobicContact CG-CE1 3.76Å; F274-F283 HydrophobicContact CZ-CD1 4.13Å; F274-I286 HydrophobicContact CE1-CB 4.46Å; F274-I286 HydrophobicContact CE1-CD1 4.28Å; F274-I286 HydrophobicContact CE1-CG2 4.33Å; F274-I286 HydrophobicContact CZ-CG2 4.2Å; F274-M287 HydrophobicContact CE2-CG 4.26Å; F274-M287 HydrophobicContact CE2-SD 3.87Å; F274-M287 HydrophobicContact CZ-CG 3.77Å; F274-M287 HydrophobicContact CZ-SD 3.88Å; F274-V296 HydrophobicContact CD2-CG2 4.26Å; F274-V296 HydrophobicContact CE2-CG2 3.96Å; F274-C297 PolarHBondContact N-O 3.04Å; F274-F298 HydrophobicContact CB-CD1 3.99Å; F274-F298 HydrophobicContact CB-CE1 4.37Å; F274-F298 AromaticContact CD2-CD1 3.71Å; F274-F298 HydrophobicContact CD2-CD1 3.71Å; F274-F298 AromaticContact CD2-CE1 3.34Å; F274-F298 HydrophobicContact CD2-CE1 3.34Å; F274-F298 AromaticContact CD2-CZ 3.9Å; F274-F298 HydrophobicContact CD2-CZ 3.9Å; F274-F298 AromaticContact CE2-CE1 3.81Å; F274-F298 HydrophobicContact CE2-CE1 3.81Å; F274-F298 HydrophobicContact CE2-CZ 4.03Å; F274-F298 HydrophobicContact CG-CD1 4.12Å; F274-F298 HydrophobicContact CG-CE1 4Å; F274-E299 WeakPolarHBondContact O-CB 3.27Å; F274-E299 WeakPolarHBondContact O-CG 3.49Å; F274-E299 PolarHBondContact O-N 2.9Å
275S92.8Very high93.6Very high15 Ų1551.8 Ų51.811%0.10527%0.268CS..  trans-66.9165.9179.164.50000112.5C242 R243 G277 Y278 E299C242-S275 WeakPolarHBondContact O-CB 3.47Å; C242-S275 PolarHBondContact O-N 3.32Å; C242-S275 PolarHBondContact O-OG 3.27Å; R243-S275 VanDerWaalsContact CA-OG 3.29Å; R243-S275 WeakPolarHBondContact CA-OG 3.47Å; S275-G277 PolarHBondContact O-N 3.14Å; S275-Y278 PolarHBondContact O-N 2.92Å; S275-E299 WeakPolarHBondContact CA-OE2 3.15Å
276R90.5Very high93.3Very high186 Ų18651.1 Ų51.170%0.70227%0.266SS*.THydrogen-bonded Turntrans-56.1128.2177.1-69.6-175.2-179.9179.72.9111.3E299R276-E299 HydrophobicContact CG-CB 3.95Å; R276-E299 WeakPolarHBondContact CG-O 3.45Å
277G89.9Confident93.2Very high45 Ų4546.5 Ų46.546%0.46424%0.236SC..THydrogen-bonded Turntrans89.8-0.5177.100000114.9Y244 S275Y244-G277 VanDerWaalsContact CD2-O 3.27Å; Y244-G277 WeakPolarHBondContact CD2-O 3.24Å; S275-G277 PolarHBondContact O-N 3.14Å
278Y91.9Very high93.1Very high0 Ų040 Ų400%021%0.207CC..  trans-60.6125.6174.7-171.5-81.8000110.8C242 R243 D246 A247 F274 S275 P280 K282 F283 I286 Q300C242-Y278 HydrophobicContact CB-CD2 3.88Å; C242-Y278 HydrophobicContact CB-CE2 3.85Å; R243-Y278 VanDerWaalsContact O-CD2 3.24Å; R243-Y278 WeakPolarHBondContact O-CD2 3.45Å; R243-Y278 WeakPolarHBondContact O-CE2 3.2Å; D246-Y278 HydrophobicContact CB-CE2 4.36Å; A247-Y278 HydrophobicContact CB-CE2 4.01Å; F274-Y278 AromaticContact CD1-CD1 3.68Å; F274-Y278 HydrophobicContact CD1-CD1 3.68Å; F274-Y278 HydrophobicContact CD1-CD2 4.34Å; F274-Y278 AromaticContact CD1-CE1 3.92Å; F274-Y278 HydrophobicContact CD1-CE1 3.92Å; F274-Y278 AromaticContact CD1-CG 3.93Å; F274-Y278 HydrophobicContact CD1-CG 3.93Å; F274-Y278 HydrophobicContact CE1-CD1 4.25Å; F274-Y278 HydrophobicContact CE1-CE1 4.01Å; S275-Y278 PolarHBondContact O-N 2.92Å; Y278-P280 VanDerWaalsContact O-CD 3.29Å; Y278-P280 WeakPolarHBondContact O-CD 3.49Å; Y278-K282 HydrophobicContact CE1-CB 3.79Å; Y278-F283 AromaticContact CD1-CD1 3.71Å; Y278-F283 HydrophobicContact CD1-CD1 3.71Å; Y278-F283 AromaticContact CD1-CE1 3.57Å; Y278-F283 HydrophobicContact CD1-CE1 3.57Å; Y278-F283 AromaticContact CE1-CD1 3.84Å; Y278-F283 HydrophobicContact CE1-CD1 3.84Å; Y278-F283 HydrophobicContact CE1-CE1 4.2Å; Y278-I286 HydrophobicContact CE2-CD1 4.04Å; Y278-I286 WeakPolarHBondContact OH-CD1 3.44Å; Y278-Q300 VanDerWaalsContact N-OE1 3.13Å; Y278-Q300 PolarHBondContact O-NE2 3.08Å; Y278-Q300 PolarHBondContact O-OE1 3.4Å
279P91.2Very high93Very high17 Ų1743.1 Ų43.111%0.1123%0.227CC..  trans-61.4120.8-173.8-2334.4000112.5Y244 A247 F248 D281 K282Y244-P279 HydrophobicContact CD2-CG 3.96Å; Y244-P279 HydrophobicContact CE2-CG 3.86Å; A247-P279 HydrophobicContact CB-CG 3.83Å; F248-P279 HydrophobicContact CZ-CG 4.44Å; P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 WeakPolarHBondContact CB-OD1 3.37Å; P279-D281 PolarHBondContact O-N 2.92Å; P279-K282 HydrophobicContact CB-CB 4.44Å; P279-K282 HydrophobicContact CB-CG 3.95Å; P279-K282 HydrophobicContact CG-CG 4.5Å; P279-K282 WeakPolarHBondContact O-CB 3.49Å; P279-K282 PolarHBondContact O-N 3.47Å
280P89.4Confident92.9Very high64 Ų6442.6 Ų42.642%0.41622%0.222SC..G310 helixtrans-60.7-31.2-176.2-27.336000114.4Y278 K282 F283Y278-P280 VanDerWaalsContact O-CD 3.29Å; Y278-P280 WeakPolarHBondContact O-CD 3.49Å; P280-K282 PolarHBondContact O-N 3.43Å; P280-K282 VanDerWaalsContact O-N 3.12Å; P280-F283 HydrophobicContact CB-CD2 4.26Å; P280-F283 HydrophobicContact CB-CE2 3.8Å; P280-F283 HydrophobicContact CB-CZ 4.19Å; P280-F283 VanDerWaalsContact O-CD2 3.24Å; P280-F283 WeakPolarHBondContact O-CD2 3.42Å; P280-F283 VanDerWaalsContact O-CG 3.32Å; P280-F283 WeakPolarHBondContact O-CG 3.32Å; P280-F283 PolarHBondContact O-N 3.13Å
281D89.1Confident92.8Very high106 Ų10642.6 Ų42.657%0.56722%0.222SC*.G310 helixtrans-62.5-17.4175.566.5-60.1000112.8P279P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 WeakPolarHBondContact CB-OD1 3.37Å; P279-D281 PolarHBondContact O-N 2.92Å
282K91.2Very high92.7Very high62 Ų6242.6 Ų42.627%0.2722%0.222SC..G310 helixtrans-95-5.7-179.6-59.1-62.8-171.4-114.50114.1A247 Y278 P279 P280 R284 V285A247-K282 HydrophobicContact CB-CB 4.33Å; A247-K282 HydrophobicContact CB-CG 4.13Å; Y278-K282 HydrophobicContact CE1-CB 3.79Å; P279-K282 HydrophobicContact CB-CB 4.44Å; P279-K282 HydrophobicContact CB-CG 3.95Å; P279-K282 HydrophobicContact CG-CG 4.5Å; P279-K282 WeakPolarHBondContact O-CB 3.49Å; P279-K282 PolarHBondContact O-N 3.47Å; P280-K282 PolarHBondContact O-N 3.43Å; P280-K282 VanDerWaalsContact O-N 3.12Å; K282-R284 VanDerWaalsContact C-N 3.3Å; K282-R284 PolarHBondContact O-N 3.44Å; K282-V285 HydrophobicContact CD-CG2 4.34Å; K282-V285 PolarHBondContact O-N 3.17Å
283F91.9Very high92.7Very high2 Ų242.5 Ų42.51%0.00922%0.222CC..Hα-helixtrans-55.2-45.5177.9-66.2-28.7000112.3F274 Y278 P280 V285 I286 M287 F298 Q300 I302 T306 L309F274-F283 HydrophobicContact CB-CE1 4.08Å; F274-F283 AromaticContact CD1-CD1 3.69Å; F274-F283 HydrophobicContact CD1-CD1 3.69Å; F274-F283 AromaticContact CD1-CE1 3.66Å; F274-F283 HydrophobicContact CD1-CE1 3.66Å; F274-F283 HydrophobicContact CD2-CE1 4.35Å; F274-F283 AromaticContact CE1-CD1 3.69Å; F274-F283 HydrophobicContact CE1-CD1 3.69Å; F274-F283 HydrophobicContact CE1-CE1 4.16Å; F274-F283 HydrophobicContact CG-CD1 4.12Å; F274-F283 AromaticContact CG-CE1 3.76Å; F274-F283 HydrophobicContact CG-CE1 3.76Å; F274-F283 HydrophobicContact CZ-CD1 4.13Å; Y278-F283 AromaticContact CD1-CD1 3.71Å; Y278-F283 HydrophobicContact CD1-CD1 3.71Å; Y278-F283 AromaticContact CD1-CE1 3.57Å; Y278-F283 HydrophobicContact CD1-CE1 3.57Å; Y278-F283 AromaticContact CE1-CD1 3.84Å; Y278-F283 HydrophobicContact CE1-CD1 3.84Å; Y278-F283 HydrophobicContact CE1-CE1 4.2Å; P280-F283 HydrophobicContact CB-CD2 4.26Å; P280-F283 HydrophobicContact CB-CE2 3.8Å; P280-F283 HydrophobicContact CB-CZ 4.19Å; P280-F283 VanDerWaalsContact O-CD2 3.24Å; P280-F283 WeakPolarHBondContact O-CD2 3.42Å; P280-F283 VanDerWaalsContact O-CG 3.32Å; P280-F283 WeakPolarHBondContact O-CG 3.32Å; P280-F283 PolarHBondContact O-N 3.13Å; F283-V285 PolarHBondContact O-N 3.44Å; F283-V285 VanDerWaalsContact O-N 3.08Å; F283-I286 PolarHBondContact O-N 2.58Å; F283-M287 HydrophobicContact CB-SD 4.2Å; F283-M287 VanDerWaalsContact O-CB 3.32Å; F283-M287 WeakPolarHBondContact O-CB 3.45Å; F283-M287 WeakPolarHBondContact O-CG 3.4Å; F283-M287 PolarHBondContact O-N 2.96Å; F283-F298 HydrophobicContact CD1-CE1 4.31Å; F283-F298 HydrophobicContact CD2-CE1 4.25Å; F283-F298 HydrophobicContact CE1-CD1 4.22Å; F283-F298 AromaticContact CE1-CE1 3.89Å; F283-F298 HydrophobicContact CE1-CE1 3.89Å; F283-F298 HydrophobicContact CE2-CD1 4.28Å; F283-F298 AromaticContact CE2-CE1 3.83Å; F283-F298 HydrophobicContact CE2-CE1 3.83Å; F283-F298 HydrophobicContact CG-CE1 4.47Å; F283-F298 AromaticContact CZ-CD1 3.79Å; F283-F298 HydrophobicContact CZ-CD1 3.79Å; F283-F298 AromaticContact CZ-CE1 3.63Å; F283-F298 HydrophobicContact CZ-CE1 3.63Å; F283-Q300 VanDerWaalsContact CE1-NE2 3.32Å; F283-I302 HydrophobicContact CE2-CG2 4.38Å; F283-I302 HydrophobicContact CZ-CG2 4.5Å; F283-T306 HydrophobicContact CD2-CG2 3.63Å; F283-T306 HydrophobicContact CE2-CG2 3.6Å; F283-L309 HydrophobicContact CB-CD2 4.38Å
284R89.9Confident92.7Very high173 Ų17345 Ų4565%0.65323%0.231SC*.Hα-helixtrans-59.8-22.2180-69.2-172.9177-153.8-2.8113.9K282 L309K282-R284 VanDerWaalsContact C-N 3.3Å; K282-R284 PolarHBondContact O-N 3.44Å; R284-L309 HydrophobicContact CG-CD1 3.85Å; R284-L309 HydrophobicContact CG-CD2 3.56Å; R284-L309 HydrophobicContact CG-CG 4.37Å
285V89.1Confident92.8Very high62 Ų6246.2 Ų46.238%0.37624%0.238SC..Hα-helixtrans-82.1-22.6-179.2-161.20000112K282 F283K282-V285 HydrophobicContact CD-CG2 4.34Å; K282-V285 PolarHBondContact O-N 3.17Å; F283-V285 PolarHBondContact O-N 3.44Å; F283-V285 VanDerWaalsContact O-N 3.08Å
286I90.9Very high93.1Very high5 Ų545.5 Ų45.53%0.02623%0.233CC..Hα-helixtrans-98.5-42.3176-69.7-172.8000111M216 C242 L272 F274 Y278 F283 L288M216-I286 HydrophobicContact CE-CB 4.31Å; M216-I286 HydrophobicContact CE-CD1 4.08Å; M216-I286 HydrophobicContact CE-CG1 4.12Å; M216-I286 HydrophobicContact CE-CG2 3.47Å; M216-I286 VanDerWaalsContact CE-CG2 3.47Å; M216-I286 HydrophobicContact CG-CD1 4.02Å; C242-I286 HydrophobicContact CB-CD1 4.25Å; L272-I286 HydrophobicContact CD1-CG2 3.89Å; L272-I286 HydrophobicContact CD2-CG2 4.07Å; F274-I286 HydrophobicContact CE1-CB 4.46Å; F274-I286 HydrophobicContact CE1-CD1 4.28Å; F274-I286 HydrophobicContact CE1-CG2 4.33Å; F274-I286 HydrophobicContact CZ-CG2 4.2Å; Y278-I286 HydrophobicContact CE2-CD1 4.04Å; Y278-I286 WeakPolarHBondContact OH-CD1 3.44Å; F283-I286 PolarHBondContact O-N 2.58Å; I286-L288 VanDerWaalsContact C-N 3.31Å; I286-L288 PolarHBondContact O-N 3.14Å
287M92.9Very high93.4Very high1 Ų137.1 Ų37.11%0.00520%0.203CC..  trans-82.279-177.2-62.2-173.868.100109.1L272 F274 F283 L293 V296 F298 I310 M313 Y314L272-M287 HydrophobicContact CD1-CG 3.97Å; F274-M287 HydrophobicContact CE2-CG 4.26Å; F274-M287 HydrophobicContact CE2-SD 3.87Å; F274-M287 HydrophobicContact CZ-CG 3.77Å; F274-M287 HydrophobicContact CZ-SD 3.88Å; F283-M287 HydrophobicContact CB-SD 4.2Å; F283-M287 VanDerWaalsContact O-CB 3.32Å; F283-M287 WeakPolarHBondContact O-CB 3.45Å; F283-M287 WeakPolarHBondContact O-CG 3.4Å; F283-M287 PolarHBondContact O-N 2.96Å; M287-L293 HydrophobicContact CE-CD2 3.78Å; M287-V296 HydrophobicContact CE-CG2 4.41Å; M287-F298 HydrophobicContact SD-CZ 4.34Å; M287-I310 HydrophobicContact CE-CD1 4.48Å; M287-I310 HydrophobicContact CE-CG1 3.56Å; M287-M313 WeakPolarHBondContact O-CE 3.25Å; M287-Y314 WeakPolarHBondContact CA-OH 3.44Å; M287-Y314 HydrophobicContact CB-CE2 4.07Å; M287-Y314 HydrophobicContact CE-CD2 4Å; M287-Y314 HydrophobicContact CE-CE2 3.52Å; M287-Y314 PolarHBondContact O-OH 2.85Å
288L93.9Very high93.7Very high38 Ų3835 Ų3520%0.19918%0.181CC..  trans-89.8148.6176.8-56.8175000112.1E255 I286 S290 V291 Y314E255-L288 VanDerWaalsContact OE2-CB 3.24Å; E255-L288 WeakPolarHBondContact OE2-CB 3.3Å; I286-L288 VanDerWaalsContact C-N 3.31Å; I286-L288 PolarHBondContact O-N 3.14Å; L288-S290 VanDerWaalsContact C-N 3.26Å; L288-S290 PolarHBondContact O-N 3.41Å; L288-V291 HydrophobicContact CB-CG2 4.04Å; L288-V291 WeakPolarHBondContact O-CB 3.25Å; L288-V291 VanDerWaalsContact O-CG2 3.27Å; L288-V291 WeakPolarHBondContact O-CG2 3.41Å; L288-V291 PolarHBondContact O-N 2.98Å; L288-Y314 VanDerWaalsContact C-OH 3.28Å; L288-Y314 PolarHBondContact N-OH 2.96Å; L288-Y314 VanDerWaalsContact N-OH 3.09Å; L288-Y314 PolarHBondContact O-OH 3.28Å
289P94.3Very high93.8Very high69 Ų6937.1 Ų37.145%0.44819%0.191SC..THydrogen-bonded Turntrans-60.3-34.2-174.4-19.829.5000113.8V291 M313 K317P289-V291 PolarHBondContact O-N 3.27Å; P289-M313 HydrophobicContact CB-CE 4.04Å; P289-M313 HydrophobicContact CG-CE 3.55Å; P289-K317 PolarHBondContact O-NZ 3.43Å
290S95.2Very high93.8Very high11 Ų1137 Ų378%0.07719%0.189CC..THydrogen-bonded Turntrans-64-21.8176.1550000114.6E255 W258 L288 P292E255-S290 WeakPolarHBondContact OE1-CB 3.37Å; E255-S290 PolarHBondContact OE1-N 3.46Å; E255-S290 PolarHBondContact OE1-OG 2.96Å; E255-S290 WeakPolarHBondContact OE2-CB 3.37Å; E255-S290 PolarHBondContact OE2-OG 3.27Å; W258-S290 WeakPolarHBondContact CB-OG 3.4Å; L288-S290 VanDerWaalsContact C-N 3.26Å; L288-S290 PolarHBondContact O-N 3.41Å; S290-P292 WeakPolarHBondContact O-CD 3.17Å
291V96.5Very high93.9Very high0 Ų036.8 Ų36.80%019%0.187CC..SBendtrans-61.7127-178.8-177.50000108.7W258 V270 L288 P289 L293 Y314W258-V291 HydrophobicContact CD2-CG2 3.86Å; W258-V291 HydrophobicContact CE3-CG2 4.5Å; W258-V291 HydrophobicContact CG-CG2 3.96Å; W258-V291 HydrophobicContact CZ2-CG2 4.29Å; V270-V291 HydrophobicContact CB-CG1 3.83Å; V270-V291 HydrophobicContact CG1-CG1 3.64Å; V270-V291 HydrophobicContact CG2-CG1 4.13Å; L288-V291 HydrophobicContact CB-CG2 4.04Å; L288-V291 WeakPolarHBondContact O-CB 3.25Å; L288-V291 VanDerWaalsContact O-CG2 3.27Å; L288-V291 WeakPolarHBondContact O-CG2 3.41Å; L288-V291 PolarHBondContact O-N 2.98Å; P289-V291 PolarHBondContact O-N 3.27Å; V291-L293 HydrophobicContact CG1-CB 4.04Å; V291-L293 PolarHBondContact O-N 3.02Å; V291-Y314 HydrophobicContact CB-CE1 4.26Å
292P96.2Very high94.2Very high15 Ų1532 Ų3210%0.09716%0.162CC..  trans-77.358.5172.931.9-33.5000110.2L261 A268 V270 S290 K294L261-P292 HydrophobicContact CD2-CG 3.68Å; A268-P292 WeakPolarHBondContact O-CB 3.43Å; V270-P292 HydrophobicContact CG2-CG 3.83Å; V270-P292 PolarHBondContact N-O 2.99Å; S290-P292 WeakPolarHBondContact O-CD 3.17Å; P292-K294 PolarHBondContact O-N 3.48Å
293L97.4Very high94.2Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-68.9114.4-174.6-172.865000110V270 L272 M287 V291 T295 V296 Y314 L318V270-L293 HydrophobicContact CG1-CD1 4.25Å; L272-L293 HydrophobicContact CB-CD1 4.01Å; L272-L293 HydrophobicContact CD1-CD1 3.72Å; L272-L293 HydrophobicContact CD1-CD2 4.33Å; L272-L293 HydrophobicContact CG-CD1 3.59Å; M287-L293 HydrophobicContact CE-CD2 3.78Å; V291-L293 HydrophobicContact CG1-CB 4.04Å; V291-L293 PolarHBondContact O-N 3.02Å; L293-T295 VanDerWaalsContact CD1-O 3.27Å; L293-T295 WeakPolarHBondContact CD1-O 3.33Å; L293-V296 HydrophobicContact CD2-CB 4.33Å; L293-Y314 HydrophobicContact CB-CD1 3.63Å; L293-Y314 HydrophobicContact CB-CE1 3.65Å; L293-Y314 HydrophobicContact CB-CG 4.14Å; L293-Y314 HydrophobicContact CD2-CD1 4.13Å; L293-Y314 HydrophobicContact CD2-CD2 3.64Å; L293-Y314 HydrophobicContact CD2-CE1 4.1Å; L293-Y314 HydrophobicContact CD2-CE2 3.59Å; L293-Y314 HydrophobicContact CD2-CG 3.88Å; L293-Y314 HydrophobicContact CG-CD1 4.48Å; L293-L318 HydrophobicContact CG-CD1 4.47Å
294K97.5Very high94.4Very high75 Ų7531.8 Ų31.833%0.32617%0.165SC..EExtended strand (participates in β ladder)trans-103.9-33.3175.1-68.2-56.4-168.2173.70112.1A269 V270 P292 K317 H319 K320A269-K294 HydrophobicContact CB-CB 3.93Å; A269-K294 HydrophobicContact CB-CG 3.57Å; V270-K294 PolarHBondContact O-N 2.9Å; P292-K294 PolarHBondContact O-N 3.48Å; K294-K317 WeakPolarHBondContact CD-O 3.36Å; K294-K317 PolarHBondContact NZ-O 3.03Å; K294-H319 WeakPolarHBondContact O-CA 3.41Å; K294-H319 WeakPolarHBondContact O-CB 3.41Å; K294-H319 PolarHBondContact O-N 3.35Å; K294-K320 PolarHBondContact O-N 2.85Å
295T98.1Very high94.5Very high25 Ų2526.8 Ų26.815%0.15316%0.157CC..EExtended strand (participates in β ladder)trans-130.5132.4-178.5-56.60000110.8V270 T271 L272 L293 K320V270-T295 PolarHBondContact O-N 3Å; T271-T295 VanDerWaalsContact CA-O 3.31Å; T271-T295 WeakPolarHBondContact CA-O 3.48Å; T271-T295 HydrophobicContact CG2-CG2 3.9Å; T271-T295 WeakPolarHBondContact OG1-CB 3.46Å; L272-T295 PolarHBondContact N-O 3.46Å; L293-T295 VanDerWaalsContact CD1-O 3.27Å; L293-T295 WeakPolarHBondContact CD1-O 3.33Å; T295-K320 VanDerWaalsContact CA-O 3.31Å; T295-K320 WeakPolarHBondContact CA-O 3.42Å; T295-K320 HydrophobicContact CG2-CB 3.92Å; T295-K320 HydrophobicContact CG2-CD 3.88Å; T295-K320 HydrophobicContact CG2-CG 3.87Å
296V97.6Very high94.8Very high0 Ų024.1 Ų24.10%014%0.14CC..EExtended strand (participates in β ladder)trans-126.6135.1169.470.50000110.6L272 F274 M287 L293 F298 I310 L318 K320 V321 V322L272-V296 CarbonylContact O-C 3.47Å; L272-V296 WeakPolarHBondContact O-CA 3.24Å; F274-V296 HydrophobicContact CD2-CG2 4.26Å; F274-V296 HydrophobicContact CE2-CG2 3.96Å; M287-V296 HydrophobicContact CE-CG2 4.41Å; L293-V296 HydrophobicContact CD2-CB 4.33Å; V296-F298 HydrophobicContact CB-CE2 4.26Å; V296-F298 HydrophobicContact CG1-CE2 3.94Å; V296-F298 HydrophobicContact CG2-CD2 4.12Å; V296-F298 HydrophobicContact CG2-CE1 4.49Å; V296-F298 HydrophobicContact CG2-CE2 3.34Å; V296-F298 HydrophobicContact CG2-CZ 3.56Å; V296-I310 HydrophobicContact CG1-CD1 4.44Å; V296-I310 HydrophobicContact CG1-CG2 4.48Å; V296-L318 HydrophobicContact CG1-CD1 4.14Å; V296-K320 PolarHBondContact N-O 2.82Å; V296-V321 HydrophobicContact CG1-CG1 4.38Å; V296-V321 HydrophobicContact CG1-CG2 4.05Å; V296-V321 WeakPolarHBondContact O-CA 3.39Å; V296-V322 PolarHBondContact O-N 3.39Å
297C97.1Very high95Very high10 Ų1024 Ų247%0.06814%0.14CC..EExtended strand (participates in β ladder)trans-127.5127.7178.1-178.40000109.8L272 T273 F274 V322L272-C297 PolarHBondContact O-N 3.32Å; T273-C297 CarbonylContact C-O 3.37Å; T273-C297 WeakPolarHBondContact CA-O 3.13Å; T273-C297 HydrophobicContact CG2-CB 4.01Å; F274-C297 PolarHBondContact N-O 3.04Å; C297-V322 CarbonylContact C-O 3.59Å; C297-V322 WeakPolarHBondContact CA-O 3.37Å; C297-V322 HydrophobicContact CB-CB 4.13Å
298F96.4Very high95.1Very high0 Ų026.8 Ų26.80%016%0.157CC..EExtended strand (participates in β ladder)trans-112.6115.2173.8-64.3-85.5000109.3F274 F283 M287 V296 Q300 I302 T306 I310 V322 L323 R324F274-F298 HydrophobicContact CB-CD1 3.99Å; F274-F298 HydrophobicContact CB-CE1 4.37Å; F274-F298 AromaticContact CD2-CD1 3.71Å; F274-F298 HydrophobicContact CD2-CD1 3.71Å; F274-F298 AromaticContact CD2-CE1 3.34Å; F274-F298 HydrophobicContact CD2-CE1 3.34Å; F274-F298 AromaticContact CD2-CZ 3.9Å; F274-F298 HydrophobicContact CD2-CZ 3.9Å; F274-F298 AromaticContact CE2-CE1 3.81Å; F274-F298 HydrophobicContact CE2-CE1 3.81Å; F274-F298 HydrophobicContact CE2-CZ 4.03Å; F274-F298 HydrophobicContact CG-CD1 4.12Å; F274-F298 HydrophobicContact CG-CE1 4Å; F283-F298 HydrophobicContact CD1-CE1 4.31Å; F283-F298 HydrophobicContact CD2-CE1 4.25Å; F283-F298 HydrophobicContact CE1-CD1 4.22Å; F283-F298 AromaticContact CE1-CE1 3.89Å; F283-F298 HydrophobicContact CE1-CE1 3.89Å; F283-F298 HydrophobicContact CE2-CD1 4.28Å; F283-F298 AromaticContact CE2-CE1 3.83Å; F283-F298 HydrophobicContact CE2-CE1 3.83Å; F283-F298 HydrophobicContact CG-CE1 4.47Å; F283-F298 AromaticContact CZ-CD1 3.79Å; F283-F298 HydrophobicContact CZ-CD1 3.79Å; F283-F298 AromaticContact CZ-CE1 3.63Å; F283-F298 HydrophobicContact CZ-CE1 3.63Å; M287-F298 HydrophobicContact SD-CZ 4.34Å; V296-F298 HydrophobicContact CB-CE2 4.26Å; V296-F298 HydrophobicContact CG1-CE2 3.94Å; V296-F298 HydrophobicContact CG2-CD2 4.12Å; V296-F298 HydrophobicContact CG2-CE1 4.49Å; V296-F298 HydrophobicContact CG2-CE2 3.34Å; V296-F298 HydrophobicContact CG2-CZ 3.56Å; F298-Q300 VanDerWaalsContact C-N 3.35Å; F298-I302 HydrophobicContact CB-CG2 3.82Å; F298-I302 HydrophobicContact CD1-CG2 3.56Å; F298-I302 HydrophobicContact CD2-CD1 4.46Å; F298-I302 HydrophobicContact CD2-CG2 4.35Å; F298-I302 HydrophobicContact CE1-CG2 4.21Å; F298-I302 HydrophobicContact CG-CG2 3.64Å; F298-T306 HydrophobicContact CE1-CG2 4.05Å; F298-T306 HydrophobicContact CZ-CG2 3.96Å; F298-I310 HydrophobicContact CE2-CD1 3.42Å; F298-I310 VanDerWaalsContact CE2-CD1 3.42Å; F298-I310 HydrophobicContact CZ-CD1 3.62Å; F298-I310 HydrophobicContact CZ-CG1 4.47Å; F298-V322 PolarHBondContact N-O 2.99Å; F298-L323 HydrophobicContact CB-CD2 4.37Å; F298-L323 HydrophobicContact CD2-CD2 3.84Å; F298-R324 PolarHBondContact O-N 3.12Å
299E93.7Very high95.1Very high45 Ų4525.8 Ų25.821%0.2115%0.152CC..SBendtrans-83.5-17.1175-53.7-157.3131.700112.8T273 F274 S275 R276 R324 S325T273-E299 HydrophobicContact CG2-CG 4.14Å; F274-E299 WeakPolarHBondContact O-CB 3.27Å; F274-E299 WeakPolarHBondContact O-CG 3.49Å; F274-E299 PolarHBondContact O-N 2.9Å; S275-E299 WeakPolarHBondContact CA-OE2 3.15Å; R276-E299 HydrophobicContact CG-CB 3.95Å; R276-E299 WeakPolarHBondContact CG-O 3.45Å; E299-R324 IonicContact OE1-CZ 3.84Å; E299-R324 IonicContact OE1-NH1 3.3Å; E299-R324 PolarHBondContact OE1-NH1 3.23Å; E299-S325 PolarHBondContact O-OG 3.37Å
300Q91.6Very high95.2Very high15 Ų1522.6 Ų22.67%0.0713%0.131CC..SBendtrans-104.8162.9179.363.6-174.8-14.500112.7Y278 F283 F298Y278-Q300 VanDerWaalsContact N-OE1 3.13Å; Y278-Q300 PolarHBondContact O-NE2 3.08Å; Y278-Q300 PolarHBondContact O-OE1 3.4Å; F283-Q300 VanDerWaalsContact CE1-NE2 3.32Å; F298-Q300 VanDerWaalsContact C-N 3.35Å
301P92.2Very high95.2Very high58 Ų5822.4 Ų22.438%0.37713%0.129SC..  trans-54.1139168.3-27.437.1000111.9K326 V328P301-K326 WeakPolarHBondContact CA-O 3.42Å; P301-K326 VanDerWaalsContact CB-O 3.22Å; P301-K326 WeakPolarHBondContact CB-O 3.29Å; P301-V328 HydrophobicContact CB-CG2 3.55Å
302I93.7Very high95.1Very high6 Ų627.5 Ų27.53%0.03116%0.156CC..  trans-121.6162172.762.7166.4000110.3F283 F298 T306 I307 L323 P327 V328F283-I302 HydrophobicContact CE2-CG2 4.38Å; F283-I302 HydrophobicContact CZ-CG2 4.5Å; F298-I302 HydrophobicContact CB-CG2 3.82Å; F298-I302 HydrophobicContact CD1-CG2 3.56Å; F298-I302 HydrophobicContact CD2-CD1 4.46Å; F298-I302 HydrophobicContact CD2-CG2 4.35Å; F298-I302 HydrophobicContact CE1-CG2 4.21Å; F298-I302 HydrophobicContact CG-CG2 3.64Å; I302-T306 HydrophobicContact CB-CG2 4.2Å; I302-T306 HydrophobicContact CD1-CG2 4.47Å; I302-T306 HydrophobicContact CG2-CG2 4.16Å; I302-I307 HydrophobicContact CD1-CD1 4.09Å; I302-I307 HydrophobicContact CD1-CG1 3.67Å; I302-L323 HydrophobicContact CD1-CD1 4.16Å; I302-L323 HydrophobicContact CD1-CD2 3.47Å; I302-L323 VanDerWaalsContact CD1-CD2 3.47Å; I302-L323 HydrophobicContact CD1-CG 4.44Å; I302-L323 HydrophobicContact CG1-CD2 4.34Å; I302-P327 WeakPolarHBondContact O-CA 3.36Å; I302-P327 WeakPolarHBondContact O-CB 3.35Å; I302-V328 PolarHBondContact O-N 2.9Å
303N93.2Very high95Very high48 Ų4828.8 Ų28.826%0.25716%0.161SC..  trans-107.3170175.366.713.1000110.8S305 T306 E329N303-S305 VanDerWaalsContact C-N 3.26Å; N303-S305 VanDerWaalsContact CG-OG 3.24Å; N303-S305 PolarHBondContact ND2-OG 3Å; N303-S305 PolarHBondContact O-N 3.29Å; N303-S305 PolarHBondContact OD1-N 3.46Å; N303-S305 PolarHBondContact OD1-OG 2.93Å; N303-T306 WeakPolarHBondContact O-CB 3.5Å; N303-T306 PolarHBondContact O-N 3.16Å; N303-T306 VanDerWaalsContact O-N 3.14Å; N303-T306 PolarHBondContact OD1-N 2.78Å; N303-T306 PolarHBondContact OD1-OG1 3.41Å; N303-E329 HydrophobicContact CB-CG 4.38Å; N303-E329 WeakPolarHBondContact CB-OE1 3.25Å
304A94.1Very high95Very high12 Ų1228.8 Ų28.810%0.09916%0.161CC..Hα-helixtrans-58.2-38.6178.900000111.7T306 I307 V308 E329 I331 Q334A304-T306 PolarHBondContact O-N 3.5Å; A304-I307 PolarHBondContact O-N 3.02Å; A304-V308 WeakPolarHBondContact O-CG2 3.27Å; A304-V308 PolarHBondContact O-N 3.39Å; A304-E329 WeakPolarHBondContact CA-OE1 3.41Å; A304-E329 HydrophobicContact CB-CG 4.38Å; A304-E329 WeakPolarHBondContact CB-OE1 3.45Å; A304-E329 PolarHBondContact N-OE1 2.89Å; A304-I331 HydrophobicContact CB-CG2 4.44Å; A304-Q334 HydrophobicContact CB-CG 3.87Å
305S94Very high94.8Very high67 Ų6729 Ų2947%0.46916%0.163SC..Hα-helixtrans-61.1-31.2178.578.30000113.5N303 L309N303-S305 VanDerWaalsContact C-N 3.26Å; N303-S305 VanDerWaalsContact CG-OG 3.24Å; N303-S305 PolarHBondContact ND2-OG 3Å; N303-S305 PolarHBondContact O-N 3.29Å; N303-S305 PolarHBondContact OD1-N 3.46Å; N303-S305 PolarHBondContact OD1-OG 2.93Å; S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 PolarHBondContact O-N 3.38Å
306T94.5Very high94.6Very high6 Ų632.1 Ų32.14%0.03718%0.182CC..Hα-helixtrans-69.4-38.7175.6-58.30000110.8F283 F298 I302 N303 A304 L309 I310F283-T306 HydrophobicContact CD2-CG2 3.63Å; F283-T306 HydrophobicContact CE2-CG2 3.6Å; F298-T306 HydrophobicContact CE1-CG2 4.05Å; F298-T306 HydrophobicContact CZ-CG2 3.96Å; I302-T306 HydrophobicContact CB-CG2 4.2Å; I302-T306 HydrophobicContact CD1-CG2 4.47Å; I302-T306 HydrophobicContact CG2-CG2 4.16Å; N303-T306 WeakPolarHBondContact O-CB 3.5Å; N303-T306 PolarHBondContact O-N 3.16Å; N303-T306 VanDerWaalsContact O-N 3.14Å; N303-T306 PolarHBondContact OD1-N 2.78Å; N303-T306 PolarHBondContact OD1-OG1 3.41Å; A304-T306 PolarHBondContact O-N 3.5Å; T306-L309 WeakPolarHBondContact O-CB 3.3Å; T306-L309 PolarHBondContact O-N 3.34Å; T306-I310 HydrophobicContact CG2-CD1 4.14Å; T306-I310 WeakPolarHBondContact O-CD1 3.44Å; T306-I310 VanDerWaalsContact O-CG1 3.26Å; T306-I310 WeakPolarHBondContact O-CG1 3.4Å; T306-I310 PolarHBondContact O-N 3.24Å; T306-I310 VanDerWaalsContact O-N 3.12Å
307I95.2Very high94.5Very high3 Ų335.2 Ų35.22%0.01520%0.195CC..Hα-helixtrans-68.3-45.6177.5-62.3174.9000110.1I302 A304 L309 I310 T311 I331 Q334 L338I302-I307 HydrophobicContact CD1-CD1 4.09Å; I302-I307 HydrophobicContact CD1-CG1 3.67Å; A304-I307 PolarHBondContact O-N 3.02Å; I307-L309 VanDerWaalsContact C-N 3.3Å; I307-L309 PolarHBondContact O-N 2.91Å; I307-I310 PolarHBondContact O-N 3Å; I307-I310 VanDerWaalsContact O-N 3.11Å; I307-T311 PolarHBondContact O-N 3.45Å; I307-T311 PolarHBondContact O-OG1 3.13Å; I307-I331 HydrophobicContact CD1-CB 3.55Å; I307-I331 HydrophobicContact CD1-CD1 3.51Å; I307-I331 HydrophobicContact CD1-CG1 4.1Å; I307-I331 HydrophobicContact CD1-CG2 3.8Å; I307-Q334 HydrophobicContact CB-CB 4.02Å; I307-Q334 HydrophobicContact CG2-CB 3.8Å; I307-Q334 VanDerWaalsContact CG2-O 3.32Å; I307-Q334 WeakPolarHBondContact CG2-O 3.45Å; I307-L338 HydrophobicContact CG2-CB 4.01Å; I307-L338 HydrophobicContact CG2-CD2 4.17Å
308V95.4Very high94.4Very high60 Ų6034.7 Ų34.736%0.36419%0.192SC..Hα-helixtrans-55.4-47.2174.5174.40000110.7A304 I310 T311 D312 Q334A304-V308 WeakPolarHBondContact O-CG2 3.27Å; A304-V308 PolarHBondContact O-N 3.39Å; V308-I310 VanDerWaalsContact C-N 3.32Å; V308-I310 PolarHBondContact O-N 3.08Å; V308-T311 PolarHBondContact O-N 2.9Å; V308-D312 WeakPolarHBondContact CG1-OD2 3.42Å; V308-D312 WeakPolarHBondContact O-CB 3.35Å; V308-D312 VanDerWaalsContact O-CG 3.25Å; V308-D312 PolarHBondContact O-N 3.48Å; V308-Q334 HydrophobicContact CG2-CB 4.4Å; V308-Q334 HydrophobicContact CG2-CG 3.7Å
309L94.2Very high94.5Very high17 Ų1739 Ų399%0.08921%0.212CC..Hα-helixtrans-54.2-46.8175.7177.470.1000112.5F283 R284 S305 T306 I307 M313F283-L309 HydrophobicContact CB-CD2 4.38Å; R284-L309 HydrophobicContact CG-CD1 3.85Å; R284-L309 HydrophobicContact CG-CD2 3.56Å; R284-L309 HydrophobicContact CG-CG 4.37Å; S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 PolarHBondContact O-N 3.38Å; T306-L309 WeakPolarHBondContact O-CB 3.3Å; T306-L309 PolarHBondContact O-N 3.34Å; I307-L309 VanDerWaalsContact C-N 3.3Å; I307-L309 PolarHBondContact O-N 2.91Å; L309-M313 HydrophobicContact CD1-CG 4.2Å; L309-M313 HydrophobicContact CD1-SD 3.41Å; L309-M313 WeakPolarHBondContact CD1-SD 3.28Å; L309-M313 HydrophobicContact CG-SD 4.02Å; L309-M313 WeakPolarHBondContact O-CB 3.39Å; L309-M313 VanDerWaalsContact O-CG 3.26Å; L309-M313 WeakPolarHBondContact O-CG 3.33Å; L309-M313 PolarHBondContact O-N 3.28Å; L309-M313 VanDerWaalsContact O-N 3.12Å
310I95.2Very high94.6Very high2 Ų238.4 Ų38.41%0.0121%0.208CC..Hα-helixtrans-66.2-44.5-180-63.9156.9000110.8M287 V296 F298 T306 I307 V308 M313 Y314 L318 L338M287-I310 HydrophobicContact CE-CD1 4.48Å; M287-I310 HydrophobicContact CE-CG1 3.56Å; V296-I310 HydrophobicContact CG1-CD1 4.44Å; V296-I310 HydrophobicContact CG1-CG2 4.48Å; F298-I310 HydrophobicContact CE2-CD1 3.42Å; F298-I310 VanDerWaalsContact CE2-CD1 3.42Å; F298-I310 HydrophobicContact CZ-CD1 3.62Å; F298-I310 HydrophobicContact CZ-CG1 4.47Å; T306-I310 HydrophobicContact CG2-CD1 4.14Å; T306-I310 WeakPolarHBondContact O-CD1 3.44Å; T306-I310 VanDerWaalsContact O-CG1 3.26Å; T306-I310 WeakPolarHBondContact O-CG1 3.4Å; T306-I310 PolarHBondContact O-N 3.24Å; T306-I310 VanDerWaalsContact O-N 3.12Å; I307-I310 PolarHBondContact O-N 3Å; I307-I310 VanDerWaalsContact O-N 3.11Å; V308-I310 VanDerWaalsContact C-N 3.32Å; V308-I310 PolarHBondContact O-N 3.08Å; I310-M313 PolarHBondContact O-N 3.28Å; I310-Y314 HydrophobicContact CG2-CD2 4.48Å; I310-Y314 WeakPolarHBondContact O-CA 3.41Å; I310-Y314 WeakPolarHBondContact O-CB 3.23Å; I310-Y314 PolarHBondContact O-N 2.97Å; I310-L318 HydrophobicContact CG2-CD2 3.58Å; I310-L338 HydrophobicContact CG2-CD1 4.14Å
311T95.8Very high94.9Very high6 Ų637.8 Ų37.84%0.03721%0.206CC..Hα-helixtrans-58.4-51.6178-55.50000110.3I307 V308 M313 K315 L338 D341I307-T311 PolarHBondContact O-N 3.45Å; I307-T311 PolarHBondContact O-OG1 3.13Å; V308-T311 PolarHBondContact O-N 2.9Å; T311-M313 VanDerWaalsContact C-N 3.33Å; T311-M313 PolarHBondContact O-N 2.86Å; T311-K315 WeakPolarHBondContact O-CB 3.46Å; T311-K315 VanDerWaalsContact O-CG 3.23Å; T311-K315 WeakPolarHBondContact O-CG 3.26Å; T311-K315 PolarHBondContact O-N 3.17Å; T311-K315 VanDerWaalsContact O-N 3.1Å; T311-L338 HydrophobicContact CG2-CD1 4.42Å; T311-L338 WeakPolarHBondContact OG1-CA 3.29Å; T311-L338 WeakPolarHBondContact OG1-CB 3.41Å; T311-L338 WeakPolarHBondContact OG1-CD1 3.18Å; T311-D341 HydrophobicContact CG2-CB 4.08Å
312D94.4Very high95.1Very high107 Ų10735.7 Ų35.757%0.57219%0.191SC*.Hα-helixtrans-61.6-42.2-176.6-69.9-16.6000111.9V308V308-D312 WeakPolarHBondContact CG1-OD2 3.42Å; V308-D312 WeakPolarHBondContact O-CB 3.35Å; V308-D312 VanDerWaalsContact O-CG 3.25Å; V308-D312 PolarHBondContact O-N 3.48Å
313M94.1Very high95.2Very high42 Ų4235.7 Ų35.721%0.20719%0.191CC..Hα-helixtrans-86-31.2-173.2-66.8-173.361.500114.3M287 P289 L309 I310 T311M287-M313 WeakPolarHBondContact O-CE 3.25Å; P289-M313 HydrophobicContact CB-CE 4.04Å; P289-M313 HydrophobicContact CG-CE 3.55Å; L309-M313 HydrophobicContact CD1-CG 4.2Å; L309-M313 HydrophobicContact CD1-SD 3.41Å; L309-M313 WeakPolarHBondContact CD1-SD 3.28Å; L309-M313 HydrophobicContact CG-SD 4.02Å; L309-M313 WeakPolarHBondContact O-CB 3.39Å; L309-M313 VanDerWaalsContact O-CG 3.26Å; L309-M313 WeakPolarHBondContact O-CG 3.33Å; L309-M313 PolarHBondContact O-N 3.28Å; L309-M313 VanDerWaalsContact O-N 3.12Å; I310-M313 PolarHBondContact O-N 3.28Å; T311-M313 VanDerWaalsContact C-N 3.33Å; T311-M313 PolarHBondContact O-N 2.86Å
314Y96.4Very high95.1Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-131.64-165-55.5-70000115.4M287 L288 V291 L293 I310 T316 K317 L318M287-Y314 WeakPolarHBondContact CA-OH 3.44Å; M287-Y314 HydrophobicContact CB-CE2 4.07Å; M287-Y314 HydrophobicContact CE-CD2 4Å; M287-Y314 HydrophobicContact CE-CE2 3.52Å; M287-Y314 PolarHBondContact O-OH 2.85Å; L288-Y314 VanDerWaalsContact C-OH 3.28Å; L288-Y314 PolarHBondContact N-OH 2.96Å; L288-Y314 VanDerWaalsContact N-OH 3.09Å; L288-Y314 PolarHBondContact O-OH 3.28Å; V291-Y314 HydrophobicContact CB-CE1 4.26Å; L293-Y314 HydrophobicContact CB-CD1 3.63Å; L293-Y314 HydrophobicContact CB-CE1 3.65Å; L293-Y314 HydrophobicContact CB-CG 4.14Å; L293-Y314 HydrophobicContact CD2-CD1 4.13Å; L293-Y314 HydrophobicContact CD2-CD2 3.64Å; L293-Y314 HydrophobicContact CD2-CE1 4.1Å; L293-Y314 HydrophobicContact CD2-CE2 3.59Å; L293-Y314 HydrophobicContact CD2-CG 3.88Å; L293-Y314 HydrophobicContact CG-CD1 4.48Å; I310-Y314 HydrophobicContact CG2-CD2 4.48Å; I310-Y314 WeakPolarHBondContact O-CA 3.41Å; I310-Y314 WeakPolarHBondContact O-CB 3.23Å; I310-Y314 PolarHBondContact O-N 2.97Å; Y314-T316 PolarHBondContact O-N 3.15Å; Y314-K317 PolarHBondContact O-N 3.44Å; Y314-L318 VanDerWaalsContact O-CB 3.28Å; Y314-L318 WeakPolarHBondContact O-CB 3.42Å; Y314-L318 PolarHBondContact O-N 3.02Å
315K94.5Very high94.9Very high81 Ų8136.6 Ų36.635%0.35219%0.192SC..THydrogen-bonded Turntrans-48.4-36.1-18058.2-173.4177.6-173.60114.9T311 D341 S342T311-K315 WeakPolarHBondContact O-CB 3.46Å; T311-K315 VanDerWaalsContact O-CG 3.23Å; T311-K315 WeakPolarHBondContact O-CG 3.26Å; T311-K315 PolarHBondContact O-N 3.17Å; T311-K315 VanDerWaalsContact O-N 3.1Å; K315-D341 HydrophobicContact CB-CB 4.42Å; K315-D341 HydrophobicContact CD-CB 4.22Å; K315-S342 WeakPolarHBondContact CA-OG 3.42Å; K315-S342 VanDerWaalsContact O-CA 3.27Å; K315-S342 WeakPolarHBondContact O-CA 3.22Å
316T94Very high94.7Very high90 Ų9041.4 Ų41.455%0.55221%0.205SC*.THydrogen-bonded Turntrans-83.5-9.1179.859.20000114.4Y314 H344Y314-T316 PolarHBondContact O-N 3.15Å; T316-H344 PolarHBondContact O-CD2 2.87Å
317K94.2Very high94.4Very high64 Ų6442.1 Ų42.128%0.27821%0.21SC..THydrogen-bonded Turntrans-114.8-34.9-175.9-60.5178.5-173.9174.60111.8P289 K294 Y314P289-K317 PolarHBondContact O-NZ 3.43Å; K294-K317 WeakPolarHBondContact CD-O 3.36Å; K294-K317 PolarHBondContact NZ-O 3.03Å; Y314-K317 PolarHBondContact O-N 3.44Å
318L96.2Very high94.1Very high0 Ų047.2 Ų47.20%024%0.24CC..  trans-65.3132.4-167-164.366.2000112.5L293 V296 I310 Y314 V321 L338 H344 L345L293-L318 HydrophobicContact CG-CD1 4.47Å; V296-L318 HydrophobicContact CG1-CD1 4.14Å; I310-L318 HydrophobicContact CG2-CD2 3.58Å; Y314-L318 VanDerWaalsContact O-CB 3.28Å; Y314-L318 WeakPolarHBondContact O-CB 3.42Å; Y314-L318 PolarHBondContact O-N 3.02Å; L318-V321 HydrophobicContact CD1-CG2 4.3Å; L318-V321 HydrophobicContact CD2-CG2 3.35Å; L318-V321 HydrophobicContact CG-CG2 3.89Å; L318-L338 HydrophobicContact CD2-CD1 3.95Å; L318-H344 CarbonylContact O-C 3.19Å; L318-L345 HydrophobicContact CD2-CD1 4.34Å; L318-L345 HydrophobicContact CG-CD1 4.23Å; L318-L345 WeakPolarHBondContact O-CA 3.42Å; L318-L345 PolarHBondContact O-N 3.06Å
319H96.9Very high94Very high90 Ų9049 Ų4942%0.41725%0.245SC..  trans-115.1-37.2179.9178.664.7000112.8K294 H344 G346 V347K294-H319 WeakPolarHBondContact O-CA 3.41Å; K294-H319 WeakPolarHBondContact O-CB 3.41Å; K294-H319 PolarHBondContact O-N 3.35Å; H319-H344 PolarHBondContact ND1-O 3.23Å; H319-G346 PolarHBondContact O-N 3.28Å; H319-V347 PolarHBondContact O-N 3.34Å; H319-V347 VanDerWaalsContact O-N 3.07Å
320K97.7Very high93.8Very high33 Ų3352.7 Ų52.714%0.14327%0.265CS..EExtended strand (participates in β ladder)trans-135.7131.3-176178174.3179.7-176.30112.1K294 T295 V296 V322 V347K294-K320 PolarHBondContact O-N 2.85Å; T295-K320 VanDerWaalsContact CA-O 3.31Å; T295-K320 WeakPolarHBondContact CA-O 3.42Å; T295-K320 HydrophobicContact CG2-CB 3.92Å; T295-K320 HydrophobicContact CG2-CD 3.88Å; T295-K320 HydrophobicContact CG2-CG 3.87Å; V296-K320 PolarHBondContact N-O 2.82Å; K320-V322 HydrophobicContact CD-CG2 4.37Å; K320-V322 HydrophobicContact CG-CG2 4.06Å; K320-V347 WeakPolarHBondContact CA-O 3.43Å; K320-V347 HydrophobicContact CB-CB 4.05Å; K320-V347 HydrophobicContact CD-CB 4.35Å; K320-V347 HydrophobicContact CD-CG1 4.15Å; K320-V347 HydrophobicContact CG-CB 3.86Å; K320-V347 HydrophobicContact CG-CG1 3.88Å
321V96.8Very high93.8Very high2 Ų252.6 Ų52.61%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-124132173.6177.20000109.2V296 L318 L323 L338 L345 V347 L348 Y349V296-V321 HydrophobicContact CG1-CG1 4.38Å; V296-V321 HydrophobicContact CG1-CG2 4.05Å; V296-V321 WeakPolarHBondContact O-CA 3.39Å; L318-V321 HydrophobicContact CD1-CG2 4.3Å; L318-V321 HydrophobicContact CD2-CG2 3.35Å; L318-V321 HydrophobicContact CG-CG2 3.89Å; V321-L323 HydrophobicContact CG1-CD2 4.06Å; V321-L323 HydrophobicContact CG1-CG 4.26Å; V321-L338 HydrophobicContact CG1-CD2 4.4Å; V321-L338 HydrophobicContact CG2-CD2 4.12Å; V321-L345 HydrophobicContact CB-CD1 4.35Å; V321-L345 HydrophobicContact CG2-CD1 3.7Å; V321-V347 PolarHBondContact N-O 2.96Å; V321-L348 HydrophobicContact CB-CD1 3.98Å; V321-L348 HydrophobicContact CG1-CD1 4.08Å; V321-L348 WeakPolarHBondContact O-CA 3.46Å; V321-Y349 PolarHBondContact O-N 3.3Å
322V96.4Very high93.6Very high13 Ų1353 Ų538%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-129.5119.8178.2-173.60000110V296 C297 F298 K320 R324 Y349V296-V322 PolarHBondContact O-N 3.39Å; C297-V322 CarbonylContact C-O 3.59Å; C297-V322 WeakPolarHBondContact CA-O 3.37Å; C297-V322 HydrophobicContact CB-CB 4.13Å; F298-V322 PolarHBondContact N-O 2.99Å; K320-V322 HydrophobicContact CD-CG2 4.37Å; K320-V322 HydrophobicContact CG-CG2 4.06Å; V322-R324 HydrophobicContact CG1-CG 3.86Å; V322-Y349 CarbonylContact C-O 3.52Å; V322-Y349 WeakPolarHBondContact CA-O 3.49Å; V322-Y349 HydrophobicContact CG2-CD2 4.26Å
323L95.3Very high93.6Very high6 Ų653.1 Ų53.13%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-113.8101176.6-52.2-174.7000108.8F298 I302 V321 I331 Y349 I350 M351F298-L323 HydrophobicContact CB-CD2 4.37Å; F298-L323 HydrophobicContact CD2-CD2 3.84Å; I302-L323 HydrophobicContact CD1-CD1 4.16Å; I302-L323 HydrophobicContact CD1-CD2 3.47Å; I302-L323 VanDerWaalsContact CD1-CD2 3.47Å; I302-L323 HydrophobicContact CD1-CG 4.44Å; I302-L323 HydrophobicContact CG1-CD2 4.34Å; V321-L323 HydrophobicContact CG1-CD2 4.06Å; V321-L323 HydrophobicContact CG1-CG 4.26Å; L323-I331 HydrophobicContact CD1-CD1 3.97Å; L323-Y349 PolarHBondContact N-O 2.82Å; L323-I350 HydrophobicContact CD1-CG1 4.35Å; L323-M351 PolarHBondContact O-N 2.98Å
324R91.9Very high93.7Very high56 Ų5653.6 Ų53.621%0.21127%0.269CS..  trans-90.5-2.3-174.3-61.2-175.3160.6-173.2-14.7115F298 E299 V322 M351 S390F298-R324 PolarHBondContact O-N 3.12Å; E299-R324 IonicContact OE1-CZ 3.84Å; E299-R324 IonicContact OE1-NH1 3.3Å; E299-R324 PolarHBondContact OE1-NH1 3.23Å; V322-R324 HydrophobicContact CG1-CG 3.86Å; R324-M351 HydrophobicContact CB-SD 3.86Å; R324-M351 HydrophobicContact CG-SD 4.32Å; R324-S390 PolarHBondContact NH2-OG 3.38Å
325S89.5Confident93.6Very high23 Ų2353.6 Ų53.616%0.16127%0.269CS..SBendtrans-127.6157.4-178.7-77.90000110.6E299E299-S325 PolarHBondContact O-OG 3.37Å
326K89.5Confident93.6Very high168 Ų16850 Ų5073%0.7325%0.253SS*.  trans-61.5132.5168.9-171.3178.7179.3177.40108.7P301P301-K326 WeakPolarHBondContact CA-O 3.42Å; P301-K326 VanDerWaalsContact CB-O 3.22Å; P301-K326 WeakPolarHBondContact CB-O 3.29Å
327P88.9Confident93.6Very high22 Ų2249.7 Ų49.714%0.14325%0.249CC..  trans-65.4158177.929.4-36.7000110.5I302 E329 I331 H352I302-P327 WeakPolarHBondContact O-CA 3.36Å; I302-P327 WeakPolarHBondContact O-CB 3.35Å; P327-E329 VanDerWaalsContact C-N 3.26Å; P327-E329 WeakPolarHBondContact CB-O 3.38Å; P327-E329 WeakPolarHBondContact CG-O 3.33Å; P327-E329 PolarHBondContact O-N 3.34Å; P327-I331 HydrophobicContact CB-CD1 3.94Å; P327-I331 HydrophobicContact CB-CG1 4.02Å; P327-I331 HydrophobicContact CB-CG2 3.81Å; P327-I331 HydrophobicContact CG-CD1 4.07Å; P327-I331 HydrophobicContact CG-CG1 3.94Å; P327-H352 WeakPolarHBondContact CD-ND1 3.48Å
328V88.8Confident93.7Very high109 Ų10946.7 Ų46.766%0.66124%0.236SC*.SBendtrans-71.1-27.4179.5-176.40000111.3P301 I302P301-V328 HydrophobicContact CB-CG2 3.55Å; I302-V328 PolarHBondContact O-N 2.9Å
329E92.4Very high93.7Very high98 Ų9846.7 Ų46.746%0.45824%0.236SC..SBendtrans-143.4178.8-176.865-170.1173.600110.8N303 A304 P327 I331N303-E329 HydrophobicContact CB-CG 4.38Å; N303-E329 WeakPolarHBondContact CB-OE1 3.25Å; A304-E329 WeakPolarHBondContact CA-OE1 3.41Å; A304-E329 HydrophobicContact CB-CG 4.38Å; A304-E329 WeakPolarHBondContact CB-OE1 3.45Å; A304-E329 PolarHBondContact N-OE1 2.89Å; P327-E329 VanDerWaalsContact C-N 3.26Å; P327-E329 WeakPolarHBondContact CB-O 3.38Å; P327-E329 WeakPolarHBondContact CG-O 3.33Å; P327-E329 PolarHBondContact O-N 3.34Å; E329-I331 HydrophobicContact CG-CG2 4.41Å; E329-I331 PolarHBondContact O-N 3.45Å
330N91.4Very high93.5Very high94 Ų9445.5 Ų45.550%0.50323%0.232SC..  trans-67.6119.7172.1-171.2-25.5000109.8N332 E355N330-N332 VanDerWaalsContact OD1-CB 3.27Å; N330-N332 WeakPolarHBondContact OD1-CB 3.45Å; N330-N332 PolarHBondContact OD1-N 3.13Å; N330-N332 PolarHBondContact OD1-ND2 2.94Å; N330-E355 PolarHBondContact ND2-OE1 2.93Å
331I94Very high93.4Very high1 Ų147.7 Ų47.71%0.00525%0.245CC..  trans-113.45.4-178.561.5161.5000113.5A304 I307 L323 P327 E329 N333 Q334 L335A304-I331 HydrophobicContact CB-CG2 4.44Å; I307-I331 HydrophobicContact CD1-CB 3.55Å; I307-I331 HydrophobicContact CD1-CD1 3.51Å; I307-I331 HydrophobicContact CD1-CG1 4.1Å; I307-I331 HydrophobicContact CD1-CG2 3.8Å; L323-I331 HydrophobicContact CD1-CD1 3.97Å; P327-I331 HydrophobicContact CB-CD1 3.94Å; P327-I331 HydrophobicContact CB-CG1 4.02Å; P327-I331 HydrophobicContact CB-CG2 3.81Å; P327-I331 HydrophobicContact CG-CD1 4.07Å; P327-I331 HydrophobicContact CG-CG1 3.94Å; E329-I331 HydrophobicContact CG-CG2 4.41Å; E329-I331 PolarHBondContact O-N 3.45Å; I331-N333 PolarHBondContact O-N 3.07Å; I331-Q334 PolarHBondContact O-N 3.4Å; I331-L335 VanDerWaalsContact O-CB 3.28Å; I331-L335 WeakPolarHBondContact O-CB 3.47Å; I331-L335 PolarHBondContact O-N 3.11Å
332N92.8Very high93.3Very high14 Ų1447.6 Ų47.68%0.07525%0.245CC..Hα-helixtrans-53.6-49.8-169.1-82-68.7000112.2N330 L335 A336 E355 T358N330-N332 VanDerWaalsContact OD1-CB 3.27Å; N330-N332 WeakPolarHBondContact OD1-CB 3.45Å; N330-N332 PolarHBondContact OD1-N 3.13Å; N330-N332 PolarHBondContact OD1-ND2 2.94Å; N332-L335 PolarHBondContact O-N 3.19Å; N332-A336 WeakPolarHBondContact O-CB 3.46Å; N332-A336 PolarHBondContact O-N 2.98Å; N332-E355 WeakPolarHBondContact ND2-CG 2.85Å; N332-E355 PolarHBondContact ND2-OE1 3.24Å; N332-E355 PolarHBondContact OD1-N 3.1Å; N332-T358 HydrophobicContact CB-CG2 4.02Å; N332-T358 WeakPolarHBondContact CB-OG1 3.41Å; N332-T358 WeakPolarHBondContact O-CG2 3.39Å; N332-T358 WeakPolarHBondContact OD1-CB 3.46Å
333N93.7Very high93Very high109 Ų10951.1 Ų51.158%0.58327%0.267SS*.Hα-helixtrans-63.6-46.1179.8-70.2-21.6000112.5I331 L335 A336 N337I331-N333 PolarHBondContact O-N 3.07Å; N333-L335 VanDerWaalsContact C-N 3.31Å; N333-L335 PolarHBondContact O-N 2.97Å; N333-A336 PolarHBondContact O-N 3.44Å; N333-N337 PolarHBondContact O-N 3.34Å; N333-N337 PolarHBondContact O-ND2 3.19Å; N333-N337 PolarHBondContact O-OD1 3.11Å
334Q95.7Very high93Very high53 Ų5355.8 Ų55.825%0.24829%0.288CS..Hα-helixtrans-68.2-35.6-177.8-69.174.221.400111.4A304 I307 V308 I331 N337 L338A304-Q334 HydrophobicContact CB-CG 3.87Å; I307-Q334 HydrophobicContact CB-CB 4.02Å; I307-Q334 HydrophobicContact CG2-CB 3.8Å; I307-Q334 VanDerWaalsContact CG2-O 3.32Å; I307-Q334 WeakPolarHBondContact CG2-O 3.45Å; V308-Q334 HydrophobicContact CG2-CB 4.4Å; V308-Q334 HydrophobicContact CG2-CG 3.7Å; I331-Q334 PolarHBondContact O-N 3.4Å; Q334-N337 PolarHBondContact O-N 2.94Å; Q334-L338 WeakPolarHBondContact O-CB 3.38Å; Q334-L338 PolarHBondContact O-N 3.12Å
335L94.4Very high93.2Very high0 Ų053.2 Ų53.20%028%0.278CS..Hα-helixtrans-69.5-42.7175.6-178.666.7000111.8I331 N332 N333 N337 L338 V339 L348 I350 L354 I362I331-L335 VanDerWaalsContact O-CB 3.28Å; I331-L335 WeakPolarHBondContact O-CB 3.47Å; I331-L335 PolarHBondContact O-N 3.11Å; N332-L335 PolarHBondContact O-N 3.19Å; N333-L335 VanDerWaalsContact C-N 3.31Å; N333-L335 PolarHBondContact O-N 2.97Å; L335-N337 VanDerWaalsContact C-N 3.31Å; L335-N337 PolarHBondContact O-N 3.08Å; L335-L338 HydrophobicContact CD1-CD2 4.3Å; L335-L338 WeakPolarHBondContact O-CB 3.43Å; L335-L338 PolarHBondContact O-N 3.19Å; L335-V339 VanDerWaalsContact O-CG2 3.31Å; L335-V339 WeakPolarHBondContact O-CG2 3.39Å; L335-V339 PolarHBondContact O-N 3.38Å; L335-L348 HydrophobicContact CD1-CD1 4.04Å; L335-L348 HydrophobicContact CD1-CD2 4.37Å; L335-I350 HydrophobicContact CD1-CD1 4.32Å; L335-I350 HydrophobicContact CD2-CD1 3.37Å; L335-I350 HydrophobicContact CG-CD1 4.38Å; L335-L354 HydrophobicContact CD2-CD1 3.71Å; L335-L354 HydrophobicContact CD2-CD2 3.49Å; L335-L354 VanDerWaalsContact CD2-CD2 3.49Å; L335-L354 HydrophobicContact CD2-CG 4.24Å; L335-I362 HydrophobicContact CG-CD1 4.44Å
336A94.5Very high93.4Very high4 Ų453.1 Ų53.13%0.03328%0.281CS..Hα-helixtrans-56.3-48.617200000110.4N332 N333 L338 V339 L340 T358 L361N332-A336 WeakPolarHBondContact O-CB 3.46Å; N332-A336 PolarHBondContact O-N 2.98Å; N333-A336 PolarHBondContact O-N 3.44Å; A336-L338 PolarHBondContact O-N 3.24Å; A336-V339 PolarHBondContact O-N 3.22Å; A336-V339 VanDerWaalsContact O-N 3.15Å; A336-L340 WeakPolarHBondContact O-CB 3.38Å; A336-L340 WeakPolarHBondContact O-CG 3.37Å; A336-L340 PolarHBondContact O-N 3.37Å; A336-T358 HydrophobicContact CB-CG2 4.29Å; A336-L361 HydrophobicContact CB-CD2 4.02Å
337N95.6Very high93.7Very high84 Ų8446 Ų4645%0.44925%0.251SS..Hα-helixtrans-59.2-45.7177-67.8-12000111.9N333 Q334 L335 V339 L340 D341N333-N337 PolarHBondContact O-N 3.34Å; N333-N337 PolarHBondContact O-ND2 3.19Å; N333-N337 PolarHBondContact O-OD1 3.11Å; Q334-N337 PolarHBondContact O-N 2.94Å; L335-N337 VanDerWaalsContact C-N 3.31Å; L335-N337 PolarHBondContact O-N 3.08Å; N337-V339 VanDerWaalsContact C-N 3.28Å; N337-V339 PolarHBondContact O-N 3.05Å; N337-L340 PolarHBondContact O-N 3.44Å; N337-D341 WeakPolarHBondContact O-CB 3.28Å; N337-D341 VanDerWaalsContact O-CG 3.24Å; N337-D341 PolarHBondContact O-N 3.24Å
338L95.6Very high94Very high2 Ų244.9 Ų44.91%0.0124%0.244CC..Hα-helixtrans-54-46.9175.2176.366.9000111.6I307 I310 T311 L318 V321 Q334 L335 A336 S342I307-L338 HydrophobicContact CG2-CB 4.01Å; I307-L338 HydrophobicContact CG2-CD2 4.17Å; I310-L338 HydrophobicContact CG2-CD1 4.14Å; T311-L338 HydrophobicContact CG2-CD1 4.42Å; T311-L338 WeakPolarHBondContact OG1-CA 3.29Å; T311-L338 WeakPolarHBondContact OG1-CB 3.41Å; T311-L338 WeakPolarHBondContact OG1-CD1 3.18Å; L318-L338 HydrophobicContact CD2-CD1 3.95Å; V321-L338 HydrophobicContact CG1-CD2 4.4Å; V321-L338 HydrophobicContact CG2-CD2 4.12Å; Q334-L338 WeakPolarHBondContact O-CB 3.38Å; Q334-L338 PolarHBondContact O-N 3.12Å; L335-L338 HydrophobicContact CD1-CD2 4.3Å; L335-L338 WeakPolarHBondContact O-CB 3.43Å; L335-L338 PolarHBondContact O-N 3.19Å; A336-L338 PolarHBondContact O-N 3.24Å; L338-S342 WeakPolarHBondContact O-CB 3.44Å; L338-S342 PolarHBondContact O-N 3.25Å; L338-S342 PolarHBondContact O-OG 3.21Å
339V95.2Very high94.2Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-69.6-39.2-176.7170.80000112.4L335 A336 N337 L345 L348 I362 R366 I369L335-V339 VanDerWaalsContact O-CG2 3.31Å; L335-V339 WeakPolarHBondContact O-CG2 3.39Å; L335-V339 PolarHBondContact O-N 3.38Å; A336-V339 PolarHBondContact O-N 3.22Å; A336-V339 VanDerWaalsContact O-N 3.15Å; N337-V339 VanDerWaalsContact C-N 3.28Å; N337-V339 PolarHBondContact O-N 3.05Å; V339-L345 HydrophobicContact CB-CD2 4.34Å; V339-L345 HydrophobicContact CG2-CD2 3.84Å; V339-L348 HydrophobicContact CG2-CD2 3.58Å; V339-I362 HydrophobicContact CB-CG1 4.27Å; V339-I362 HydrophobicContact CG1-CB 4.49Å; V339-I362 HydrophobicContact CG1-CG1 4.13Å; V339-I362 HydrophobicContact CG1-CG2 3.96Å; V339-I362 HydrophobicContact CG2-CD1 4.19Å; V339-I362 HydrophobicContact CG2-CG1 4.37Å; V339-R366 HydrophobicContact CG1-CB 4.18Å; V339-R366 HydrophobicContact CG1-CG 3.73Å; V339-I369 HydrophobicContact CG1-CD1 4.13Å
340L94.4Very high94.1Very high64 Ų6438.9 Ų38.934%0.33521%0.206SC..Hα-helixtrans-74.3-39.3-179.6-65.3174.7000111.7A336 N337 L361 R365A336-L340 WeakPolarHBondContact O-CB 3.38Å; A336-L340 WeakPolarHBondContact O-CG 3.37Å; A336-L340 PolarHBondContact O-N 3.37Å; N337-L340 PolarHBondContact O-N 3.44Å; L340-L361 HydrophobicContact CD1-CD2 4.33Å; L340-R365 HydrophobicContact CD2-CB 3.42Å; L340-R365 VanDerWaalsContact CD2-CB 3.42Å; L340-R365 HydrophobicContact CD2-CG 3.86Å
341D95.2Very high93.9Very high80 Ų8038.6 Ų38.643%0.42820%0.203SC..Hα-helixtrans-80-25.9-178.4-68.6-9.7000112.8T311 K315 N337 T343T311-D341 HydrophobicContact CG2-CB 4.08Å; K315-D341 HydrophobicContact CB-CB 4.42Å; K315-D341 HydrophobicContact CD-CB 4.22Å; N337-D341 WeakPolarHBondContact O-CB 3.28Å; N337-D341 VanDerWaalsContact O-CG 3.24Å; N337-D341 PolarHBondContact O-N 3.24Å; D341-T343 PolarHBondContact O-N 3.35Å
342S94.7Very high93.3Very high0 Ų039.9 Ų39.90%021%0.209CC..  trans-88.187.8-176.8-56.50000112K315 L338 H344 L345 R366K315-S342 WeakPolarHBondContact CA-OG 3.42Å; K315-S342 VanDerWaalsContact O-CA 3.27Å; K315-S342 WeakPolarHBondContact O-CA 3.22Å; L338-S342 WeakPolarHBondContact O-CB 3.44Å; L338-S342 PolarHBondContact O-N 3.25Å; L338-S342 PolarHBondContact O-OG 3.21Å; S342-H344 PolarHBondContact O-N 2.76Å; S342-H344 VanDerWaalsContact O-N 3.12Å; S342-L345 WeakPolarHBondContact O-CB 3.47Å; S342-L345 PolarHBondContact O-N 3.01Å; S342-R366 PolarHBondContact O-NH2 3.39Å
343T90.6Very high92.8Very high87 Ų8742.5 Ų42.553%0.53422%0.223SC..THydrogen-bonded Turntrans-56.1-34.1-176.355.80000113.5D341 R366D341-T343 PolarHBondContact O-N 3.35Å; T343-R366 PolarHBondContact O-NH1 2.83Å; T343-R366 PolarHBondContact O-NH2 3.33Å
344H93.6Very high92.4Very high104 Ų10438.1 Ų38.148%0.48120%0.2SC..THydrogen-bonded Turntrans-90.9-3.5-177.8-62.5-73.8000114.9T316 L318 H319 S342 G346T316-H344 PolarHBondContact O-CD2 2.87Å; L318-H344 CarbonylContact O-C 3.19Å; H319-H344 PolarHBondContact ND1-O 3.23Å; S342-H344 PolarHBondContact O-N 2.76Å; S342-H344 VanDerWaalsContact O-N 3.12Å; H344-G346 PolarHBondContact O-N 3.07Å; H344-G346 VanDerWaalsContact O-N 3.08Å
345L96Very high92.2Very high1 Ų139.8 Ų39.81%0.00521%0.207CC..  trans-67.4111-179.3-171.673.6000109.7L318 V321 V339 S342 R366 I369L318-L345 HydrophobicContact CD2-CD1 4.34Å; L318-L345 HydrophobicContact CG-CD1 4.23Å; L318-L345 WeakPolarHBondContact O-CA 3.42Å; L318-L345 PolarHBondContact O-N 3.06Å; V321-L345 HydrophobicContact CB-CD1 4.35Å; V321-L345 HydrophobicContact CG2-CD1 3.7Å; V339-L345 HydrophobicContact CB-CD2 4.34Å; V339-L345 HydrophobicContact CG2-CD2 3.84Å; S342-L345 WeakPolarHBondContact O-CB 3.47Å; S342-L345 PolarHBondContact O-N 3.01Å; L345-R366 PolarHBondContact O-NH2 2.9Å; L345-I369 HydrophobicContact CD2-CD1 3.71Å; L345-I369 HydrophobicContact CG-CD1 3.89Å
346G95.1Very high91.9Very high21 Ų2143.8 Ų43.822%0.21623%0.228CC..  trans-108.9-16.2-179.200000113.6H319 H344 K370H319-G346 PolarHBondContact O-N 3.28Å; H344-G346 PolarHBondContact O-N 3.07Å; H344-G346 VanDerWaalsContact O-N 3.08Å; G346-K370 PolarHBondContact O-N 2.93Å
347V96Very high91.8Very high18 Ų1848.3 Ų48.311%0.10926%0.255CS..EExtended strand (participates in β ladder)trans-138.6127.5-177.4-175.90000110.8H319 K320 V321 Y349 K370H319-V347 PolarHBondContact O-N 3.34Å; H319-V347 VanDerWaalsContact O-N 3.07Å; K320-V347 WeakPolarHBondContact CA-O 3.43Å; K320-V347 HydrophobicContact CB-CB 4.05Å; K320-V347 HydrophobicContact CD-CB 4.35Å; K320-V347 HydrophobicContact CD-CG1 4.15Å; K320-V347 HydrophobicContact CG-CB 3.86Å; K320-V347 HydrophobicContact CG-CG1 3.88Å; V321-V347 PolarHBondContact N-O 2.96Å; V347-Y349 HydrophobicContact CG1-CD2 3.57Å; V347-Y349 HydrophobicContact CG1-CE2 3.31Å; V347-Y349 HydrophobicContact CG1-CG 4.37Å; V347-K370 WeakPolarHBondContact CA-O 3.29Å; V347-K370 HydrophobicContact CG2-CB 4.36Å
348L94.6Very high91.7Very high0 Ų044.6 Ų44.60%024%0.236CC..EExtended strand (participates in β ladder)trans-132.5111.4174.5177.262.9000110V321 L335 V339 I350 I369 K370 H371 I373V321-L348 HydrophobicContact CB-CD1 3.98Å; V321-L348 HydrophobicContact CG1-CD1 4.08Å; V321-L348 WeakPolarHBondContact O-CA 3.46Å; L335-L348 HydrophobicContact CD1-CD1 4.04Å; L335-L348 HydrophobicContact CD1-CD2 4.37Å; V339-L348 HydrophobicContact CG2-CD2 3.58Å; L348-I350 HydrophobicContact CD1-CD1 3.83Å; L348-I350 HydrophobicContact CD1-CG1 3.86Å; L348-I350 HydrophobicContact CD2-CD1 3.69Å; L348-I350 HydrophobicContact CG-CD1 3.63Å; L348-I350 HydrophobicContact CG-CG1 3.9Å; L348-I369 HydrophobicContact CB-CD1 3.82Å; L348-I369 HydrophobicContact CB-CG1 4.43Å; L348-K370 PolarHBondContact N-O 3.16Å; L348-H371 WeakPolarHBondContact O-CA 3.37Å; L348-H371 WeakPolarHBondContact O-CB 3.27Å; L348-I373 HydrophobicContact CD2-CD1 4.22Å
349Y93.8Very high91.5Very high78 Ų7844.6 Ų44.631%0.30624%0.236SC..EExtended strand (participates in β ladder)trans-113.6128.6175.5-70.7-54.7000111.3V321 V322 L323 V347 N372V321-Y349 PolarHBondContact O-N 3.3Å; V322-Y349 CarbonylContact C-O 3.52Å; V322-Y349 WeakPolarHBondContact CA-O 3.49Å; V322-Y349 HydrophobicContact CG2-CD2 4.26Å; L323-Y349 PolarHBondContact N-O 2.82Å; V347-Y349 HydrophobicContact CG1-CD2 3.57Å; V347-Y349 HydrophobicContact CG1-CE2 3.31Å; V347-Y349 HydrophobicContact CG1-CG 4.37Å; Y349-N372 WeakPolarHBondContact CA-OD1 3.33Å; Y349-N372 HydrophobicContact CD1-CB 4Å; Y349-N372 HydrophobicContact CE1-CB 4.4Å
350I90.2Very high91.3Very high3 Ų346.7 Ų46.72%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-138.6120.4-172.1-58.3169.5000109.1L323 L335 L348 H352 L354 N372 I373L323-I350 HydrophobicContact CD1-CG1 4.35Å; L335-I350 HydrophobicContact CD1-CD1 4.32Å; L335-I350 HydrophobicContact CD2-CD1 3.37Å; L335-I350 HydrophobicContact CG-CD1 4.38Å; L348-I350 HydrophobicContact CD1-CD1 3.83Å; L348-I350 HydrophobicContact CD1-CG1 3.86Å; L348-I350 HydrophobicContact CD2-CD1 3.69Å; L348-I350 HydrophobicContact CG-CD1 3.63Å; L348-I350 HydrophobicContact CG-CG1 3.9Å; I350-H352 WeakPolarHBondContact CG2-CE1 3.49Å; I350-H352 WeakPolarHBondContact CG2-ND1 3.24Å; I350-H352 WeakPolarHBondContact CG2-NE2 3.33Å; I350-H352 WeakPolarHBondContact CG2-O 3.34Å; I350-H352 PolarHBondContact O-N 3.01Å; I350-L354 HydrophobicContact CD1-CD1 3.96Å; I350-L354 HydrophobicContact CD1-CD2 4.38Å; I350-L354 HydrophobicContact CD1-CG 4.42Å; I350-N372 PolarHBondContact N-OD1 3.47Å; I350-N372 PolarHBondContact O-ND2 2.78Å; I350-N372 PolarHBondContact O-OD1 3Å; I350-I373 HydrophobicContact CD1-CG1 4.39Å
351M85.6Confident91.3Very high87 Ų8746.5 Ų46.543%0.42925%0.248SC..SBendtrans-86.725.3178.7-72.9-168.856.900113.9L323 R324L323-M351 PolarHBondContact O-N 2.98Å; R324-M351 HydrophobicContact CB-SD 3.86Å; R324-M351 HydrophobicContact CG-SD 4.32Å
352H82.5Confident91.1Very high28 Ų2842.7 Ų42.713%0.1323%0.227CC..SBendtrans-142.2156.1177.264.8-93.9000110.6P327 I350P327-H352 WeakPolarHBondContact CD-ND1 3.48Å; I350-H352 WeakPolarHBondContact CG2-CE1 3.49Å; I350-H352 WeakPolarHBondContact CG2-ND1 3.24Å; I350-H352 WeakPolarHBondContact CG2-NE2 3.33Å; I350-H352 WeakPolarHBondContact CG2-O 3.34Å; I350-H352 PolarHBondContact O-N 3.01Å
353N81.9Confident90.9Very high69 Ų6944.8 Ų44.837%0.36924%0.24SC..PPolyproline II helixtrans-74.4133.4177.7-63.2-13.3000109.9F382N353-F382 WeakPolarHBondContact OD1-CE2 3.38Å
354L85.7Confident91Very high18 Ų1847.1 Ų47.19%0.09425%0.245CC..PPolyproline II helixtrans-89157.9168.8-61.1-178.6000109.5L335 I350 T358 A359 I362 I373L335-L354 HydrophobicContact CD2-CD1 3.71Å; L335-L354 HydrophobicContact CD2-CD2 3.49Å; L335-L354 VanDerWaalsContact CD2-CD2 3.49Å; L335-L354 HydrophobicContact CD2-CG 4.24Å; I350-L354 HydrophobicContact CD1-CD1 3.96Å; I350-L354 HydrophobicContact CD1-CD2 4.38Å; I350-L354 HydrophobicContact CD1-CG 4.42Å; L354-T358 HydrophobicContact CD1-CG2 4.37Å; L354-A359 HydrophobicContact CB-CB 4.41Å; L354-I362 HydrophobicContact CD1-CD1 4.02Å; L354-I373 HydrophobicContact CD1-CD1 3.7Å; L354-I373 HydrophobicContact CD1-CG1 3.88Å; L354-I373 HydrophobicContact CD1-CG2 4.21Å
355E90.1Very high91Very high87 Ų8750.6 Ų50.641%0.40725%0.254SS..PPolyproline II helixtrans-59.2141167.2-74.5169.8-156.800109.5N330 N332 T357 T358 A359N330-E355 PolarHBondContact ND2-OE1 2.93Å; N332-E355 WeakPolarHBondContact ND2-CG 2.85Å; N332-E355 PolarHBondContact ND2-OE1 3.24Å; N332-E355 PolarHBondContact OD1-N 3.1Å; E355-T357 PolarHBondContact O-N 3.43Å; E355-T358 WeakPolarHBondContact O-CA 3.48Å; E355-T358 WeakPolarHBondContact O-CB 3Å; E355-T358 PolarHBondContact O-N 3.02Å; E355-A359 PolarHBondContact O-N 3.1Å
356I88.6Confident90.8Very high85 Ų8553.7 Ų53.744%0.43627%0.265SS..Hα-helixtrans-54.8-42-177.8-63.9168.7000110.7T358 A359 T360 I375 N377I356-T358 VanDerWaalsContact C-N 3.29Å; I356-T358 PolarHBondContact O-N 3.45Å; I356-A359 PolarHBondContact O-N 3.15Å; I356-T360 VanDerWaalsContact O-CB 3.29Å; I356-T360 WeakPolarHBondContact O-CB 3.39Å; I356-T360 PolarHBondContact O-N 3.39Å; I356-T360 PolarHBondContact O-OG1 3.2Å; I356-I375 HydrophobicContact CG2-CG2 4.37Å; I356-N377 VanDerWaalsContact CD1-OD1 3.31Å; I356-N377 WeakPolarHBondContact CD1-OD1 3.39Å
357T92.4Very high90.5Very high99 Ų9957.6 Ų57.661%0.60729%0.287SS*.Hα-helixtrans-56.4-42175.9500000112.4E355 L361E355-T357 PolarHBondContact O-N 3.43Å; T357-L361 VanDerWaalsContact O-CB 3.28Å; T357-L361 WeakPolarHBondContact O-CB 3.33Å; T357-L361 PolarHBondContact O-N 2.85Å
358T93Very high90.2Very high6 Ų666.2 Ų66.24%0.03732%0.323CS..Hα-helixtrans-75.3-43-179.8-61.80000111.8N332 A336 L354 E355 I356 L361 I362N332-T358 HydrophobicContact CB-CG2 4.02Å; N332-T358 WeakPolarHBondContact CB-OG1 3.41Å; N332-T358 WeakPolarHBondContact O-CG2 3.39Å; N332-T358 WeakPolarHBondContact OD1-CB 3.46Å; A336-T358 HydrophobicContact CB-CG2 4.29Å; L354-T358 HydrophobicContact CD1-CG2 4.37Å; E355-T358 WeakPolarHBondContact O-CA 3.48Å; E355-T358 WeakPolarHBondContact O-CB 3Å; E355-T358 PolarHBondContact O-N 3.02Å; I356-T358 VanDerWaalsContact C-N 3.29Å; I356-T358 PolarHBondContact O-N 3.45Å; T358-L361 PolarHBondContact O-N 3.43Å; T358-I362 HydrophobicContact CG2-CD1 4.06Å; T358-I362 WeakPolarHBondContact O-CG1 3.29Å; T358-I362 PolarHBondContact O-N 3.44Å
359A91.5Very high90.1Very high1 Ų166.7 Ų66.71%0.00833%0.325CS..Hα-helixtrans-58.2-50.417500000111L354 E355 I356 L361 I362 T363 I373 I375L354-A359 HydrophobicContact CB-CB 4.41Å; E355-A359 PolarHBondContact O-N 3.1Å; I356-A359 PolarHBondContact O-N 3.15Å; A359-L361 PolarHBondContact O-N 2.85Å; A359-I362 PolarHBondContact O-N 3.24Å; A359-T363 PolarHBondContact O-N 3.49Å; A359-T363 PolarHBondContact O-OG1 3.12Å; A359-I373 HydrophobicContact CB-CG2 3.49Å; A359-I373 VanDerWaalsContact CB-CG2 3.49Å; A359-I375 HydrophobicContact CB-CG1 4.3Å
360T91.8Very high90Very high45 Ų4568.2 Ų68.228%0.27633%0.334SS..Hα-helixtrans-59.3-47.9177.2-61.40000111.1I356 I362 T363 E364I356-T360 VanDerWaalsContact O-CB 3.29Å; I356-T360 WeakPolarHBondContact O-CB 3.39Å; I356-T360 PolarHBondContact O-N 3.39Å; I356-T360 PolarHBondContact O-OG1 3.2Å; T360-I362 VanDerWaalsContact C-N 3.33Å; T360-I362 PolarHBondContact O-N 3.15Å; T360-T363 PolarHBondContact O-N 3.39Å; T360-E364 HydrophobicContact CG2-CG 4.13Å; T360-E364 VanDerWaalsContact CG2-OE1 3.26Å; T360-E364 WeakPolarHBondContact CG2-OE1 3.27Å; T360-E364 WeakPolarHBondContact O-CB 3.33Å; T360-E364 VanDerWaalsContact O-CG 3.32Å; T360-E364 WeakPolarHBondContact O-CG 3.45Å; T360-E364 PolarHBondContact O-N 3.37Å
361L93.5Very high89.8Confident60 Ų6070.9 Ų70.931%0.31435%0.346SS..Hα-helixtrans-55.9-46177.5177.765.3000112.2A336 L340 T357 T358 A359 R365A336-L361 HydrophobicContact CB-CD2 4.02Å; L340-L361 HydrophobicContact CD1-CD2 4.33Å; T357-L361 VanDerWaalsContact O-CB 3.28Å; T357-L361 WeakPolarHBondContact O-CB 3.33Å; T357-L361 PolarHBondContact O-N 2.85Å; T358-L361 PolarHBondContact O-N 3.43Å; A359-L361 PolarHBondContact O-N 2.85Å; L361-R365 HydrophobicContact CD1-CG 3.85Å; L361-R365 VanDerWaalsContact O-CB 3.26Å; L361-R365 WeakPolarHBondContact O-CB 3.15Å; L361-R365 VanDerWaalsContact O-CG 3.24Å; L361-R365 WeakPolarHBondContact O-CG 3.24Å; L361-R365 PolarHBondContact O-N 3.32Å
362I92.2Very high89.8Confident0 Ų068.5 Ų68.50%034%0.335CS..Hα-helixtrans-63.8-49.7178.7-74.3168.6000110.8L335 V339 L354 T358 A359 T360 E364 R366 I369 I373L335-I362 HydrophobicContact CG-CD1 4.44Å; V339-I362 HydrophobicContact CB-CG1 4.27Å; V339-I362 HydrophobicContact CG1-CB 4.49Å; V339-I362 HydrophobicContact CG1-CG1 4.13Å; V339-I362 HydrophobicContact CG1-CG2 3.96Å; V339-I362 HydrophobicContact CG2-CD1 4.19Å; V339-I362 HydrophobicContact CG2-CG1 4.37Å; L354-I362 HydrophobicContact CD1-CD1 4.02Å; T358-I362 HydrophobicContact CG2-CD1 4.06Å; T358-I362 WeakPolarHBondContact O-CG1 3.29Å; T358-I362 PolarHBondContact O-N 3.44Å; A359-I362 PolarHBondContact O-N 3.24Å; T360-I362 VanDerWaalsContact C-N 3.33Å; T360-I362 PolarHBondContact O-N 3.15Å; I362-E364 PolarHBondContact O-N 3.22Å; I362-R366 WeakPolarHBondContact O-CB 3.47Å; I362-R366 PolarHBondContact O-N 3.38Å; I362-I369 HydrophobicContact CG2-CG2 4.39Å; I362-I373 HydrophobicContact CB-CD1 4.49Å; I362-I373 HydrophobicContact CD1-CD1 4.29Å; I362-I373 HydrophobicContact CG2-CD1 3.92Å
363T90.3Very high89.7Confident43 Ų4368.2 Ų68.226%0.26433%0.334SS..Hα-helixtrans-64.7-40.9-176.8-640000111.9A359 T360 P367 H371A359-T363 PolarHBondContact O-N 3.49Å; A359-T363 PolarHBondContact O-OG1 3.12Å; T360-T363 PolarHBondContact O-N 3.39Å; T363-P367 WeakPolarHBondContact O-CA 3.29Å; T363-H371 PolarHBondContact OG1-CE1 2.88Å; T363-H371 PolarHBondContact OG1-NE2 3.42Å
364E92.6Very high89Confident137 Ų13766.7 Ų66.764%0.6433%0.329SS*.Hα-helixtrans-69.5-44.1178.7-72.5179.2173.500112.5T360 I362T360-E364 HydrophobicContact CG2-CG 4.13Å; T360-E364 VanDerWaalsContact CG2-OE1 3.26Å; T360-E364 WeakPolarHBondContact CG2-OE1 3.27Å; T360-E364 WeakPolarHBondContact O-CB 3.33Å; T360-E364 VanDerWaalsContact O-CG 3.32Å; T360-E364 WeakPolarHBondContact O-CG 3.45Å; T360-E364 PolarHBondContact O-N 3.37Å; I362-E364 PolarHBondContact O-N 3.22Å
365R93.4Very high87.8Confident176 Ų17670.3 Ų70.366%0.66435%0.347SS*.Hα-helixtrans-81-24.1-175.8-65.5-69.1-173.4149.50.6113.2L340 L361L340-R365 HydrophobicContact CD2-CB 3.42Å; L340-R365 VanDerWaalsContact CD2-CB 3.42Å; L340-R365 HydrophobicContact CD2-CG 3.86Å; L361-R365 HydrophobicContact CD1-CG 3.85Å; L361-R365 VanDerWaalsContact O-CB 3.26Å; L361-R365 WeakPolarHBondContact O-CB 3.15Å; L361-R365 VanDerWaalsContact O-CG 3.24Å; L361-R365 WeakPolarHBondContact O-CG 3.24Å; L361-R365 PolarHBondContact O-N 3.32Å
366R91.9Very high85.9Confident66 Ų6671.7 Ų71.725%0.24935%0.354CS..  trans-133.360.1-177.3-63.8-72.2-69.2-177.2-1.9111.4V339 S342 T343 L345 I362 K368 I369V339-R366 HydrophobicContact CG1-CB 4.18Å; V339-R366 HydrophobicContact CG1-CG 3.73Å; S342-R366 PolarHBondContact O-NH2 3.39Å; T343-R366 PolarHBondContact O-NH1 2.83Å; T343-R366 PolarHBondContact O-NH2 3.33Å; L345-R366 PolarHBondContact O-NH2 2.9Å; I362-R366 WeakPolarHBondContact O-CB 3.47Å; I362-R366 PolarHBondContact O-N 3.38Å; R366-K368 PolarHBondContact O-N 3.28Å; R366-I369 HydrophobicContact CB-CB 4.24Å; R366-I369 HydrophobicContact CB-CG2 4.03Å; R366-I369 WeakPolarHBondContact O-CB 3.25Å; R366-I369 WeakPolarHBondContact O-CG2 3.11Å; R366-I369 PolarHBondContact O-N 3.16Å
367P89.1Confident83.8Confident103 Ų10374 Ų7467%0.66937%0.367SS*.THydrogen-bonded Turntrans-64.2-16.7-172.326.7-36.7000114.7T363T363-P367 WeakPolarHBondContact O-CA 3.29Å
368K90.5Very high81.5Confident199 Ų19976.1 Ų76.187%0.86538%0.375SS*.THydrogen-bonded Turntrans-88.9-7.9178-63.8-177.2-1801780113.4R366 K370R366-K368 PolarHBondContact O-N 3.28Å; K368-K370 PolarHBondContact O-N 3.23Å
369I91.1Very high79.1Confident10 Ų1084.8 Ų84.85%0.05142%0.415CS..SBendtrans-71.4131-180-160.3175.3000109.2V339 L345 L348 I362 R366 H371V339-I369 HydrophobicContact CG1-CD1 4.13Å; L345-I369 HydrophobicContact CD2-CD1 3.71Å; L345-I369 HydrophobicContact CG-CD1 3.89Å; L348-I369 HydrophobicContact CB-CD1 3.82Å; L348-I369 HydrophobicContact CB-CG1 4.43Å; I362-I369 HydrophobicContact CG2-CG2 4.39Å; R366-I369 HydrophobicContact CB-CB 4.24Å; R366-I369 HydrophobicContact CB-CG2 4.03Å; R366-I369 WeakPolarHBondContact O-CB 3.25Å; R366-I369 WeakPolarHBondContact O-CG2 3.11Å; R366-I369 PolarHBondContact O-N 3.16Å; I369-H371 PolarHBondContact O-CD2 2.87Å; I369-H371 VanDerWaalsContact O-CD2 3.31Å; I369-H371 PolarHBondContact O-N 3.47Å
370K91.4Very high76.8Confident111 Ų11189 Ų8948%0.48344%0.44SS..EExtended strand (participates in β ladder)trans-78.4120172.2-66.6-178.6179.8178.60108.4G346 V347 L348 K368G346-K370 PolarHBondContact O-N 2.93Å; V347-K370 WeakPolarHBondContact CA-O 3.29Å; V347-K370 HydrophobicContact CG2-CB 4.36Å; L348-K370 PolarHBondContact N-O 3.16Å; K368-K370 PolarHBondContact O-N 3.23Å
371H87.3Confident74.4Confident59 Ų5998.4 Ų98.427%0.27347%0.47SS..EExtended strand (participates in β ladder)trans-141.2158.7179.663.881.1000112.9L348 T363 I369 I373L348-H371 WeakPolarHBondContact O-CA 3.37Å; L348-H371 WeakPolarHBondContact O-CB 3.27Å; T363-H371 PolarHBondContact OG1-CE1 2.88Å; T363-H371 PolarHBondContact OG1-NE2 3.42Å; I369-H371 PolarHBondContact O-CD2 2.87Å; I369-H371 VanDerWaalsContact O-CD2 3.31Å; I369-H371 PolarHBondContact O-N 3.47Å; H371-I373 HydrophobicContact CB-CD1 4.08Å; H371-I373 HydrophobicContact CB-CG1 4.12Å; H371-I373 WeakPolarHBondContact ND1-CB 3.43Å; H371-I373 PolarHBondContact ND1-N 2.87Å
372N85.8Confident72.1Confident36 Ų36100 Ų10019%0.19348%0.475CS..  trans-105.414.5171.372.4-45.2000112.7Y349 I350 S374Y349-N372 WeakPolarHBondContact CA-OD1 3.33Å; Y349-N372 HydrophobicContact CD1-CB 4Å; Y349-N372 HydrophobicContact CE1-CB 4.4Å; I350-N372 PolarHBondContact N-OD1 3.47Å; I350-N372 PolarHBondContact O-ND2 2.78Å; I350-N372 PolarHBondContact O-OD1 3Å; N372-S374 PolarHBondContact O-N 3.28Å; N372-S374 VanDerWaalsContact O-N 3.12Å
373I80.6Confident69.6Low23 Ų23107.1 Ų107.112%0.11851%0.513CS..  trans-60.8115.1174.8-55.7162.3000108L348 I350 L354 A359 I362 H371L348-I373 HydrophobicContact CD2-CD1 4.22Å; I350-I373 HydrophobicContact CD1-CG1 4.39Å; L354-I373 HydrophobicContact CD1-CD1 3.7Å; L354-I373 HydrophobicContact CD1-CG1 3.88Å; L354-I373 HydrophobicContact CD1-CG2 4.21Å; A359-I373 HydrophobicContact CB-CG2 3.49Å; A359-I373 VanDerWaalsContact CB-CG2 3.49Å; I362-I373 HydrophobicContact CB-CD1 4.49Å; I362-I373 HydrophobicContact CD1-CD1 4.29Å; I362-I373 HydrophobicContact CG2-CD1 3.92Å; H371-I373 HydrophobicContact CB-CD1 4.08Å; H371-I373 HydrophobicContact CB-CG1 4.12Å; H371-I373 WeakPolarHBondContact ND1-CB 3.43Å; H371-I373 PolarHBondContact ND1-N 2.87Å
374S66.6Low67.4Low36 Ų36109.6 Ų109.625%0.25253%0.53SS..  trans-91.8128169.7-176.20000108.4N372 Q376N372-S374 PolarHBondContact O-N 3.28Å; N372-S374 VanDerWaalsContact O-N 3.12Å; S374-Q376 VanDerWaalsContact C-N 3.28Å; S374-Q376 PolarHBondContact O-N 2.78Å; S374-Q376 WeakPolarHBondContact OG-CB 3.35Å; S374-Q376 VanDerWaalsContact OG-CD 3.25Å; S374-Q376 WeakPolarHBondContact OG-CG 3.23Å; S374-Q376 PolarHBondContact OG-OE1 2.87Å
375I59.7Low65.1Low95 Ų95106.6 Ų106.649%0.48752%0.52SS..  trans-86.878.1169.4-53.6171.7000105.7I356 A359I356-I375 HydrophobicContact CG2-CG2 4.37Å; A359-I375 HydrophobicContact CB-CG1 4.3Å
376Q50.8Low62.6Low116 Ų116102.3 Ų102.354%0.54252%0.515SS..  trans-138.4130.9178.9-74.3-179-9.700110.2S374 D378S374-Q376 VanDerWaalsContact C-N 3.28Å; S374-Q376 PolarHBondContact O-N 2.78Å; S374-Q376 WeakPolarHBondContact OG-CB 3.35Å; S374-Q376 VanDerWaalsContact OG-CD 3.25Å; S374-Q376 WeakPolarHBondContact OG-CG 3.23Å; S374-Q376 PolarHBondContact OG-OE1 2.87Å; Q376-D378 PolarHBondContact O-N 3.48Å; Q376-D378 VanDerWaalsContact O-N 3.16Å
377N45.4Very low60.4Low133 Ų133103.6 Ų103.671%0.71152%0.524SS*.  trans-57.6112.4175.3-73.4-19.1000110I356 E379I356-N377 VanDerWaalsContact CD1-OD1 3.31Å; I356-N377 WeakPolarHBondContact CD1-OD1 3.39Å; N377-E379 VanDerWaalsContact C-N 3.29Å; N377-E379 PolarHBondContact O-N 3.04Å
378D43.6Very low58.2Low144 Ų144103.9 Ų103.977%0.7752%0.517SS*.SBendtrans26.83.4162-78.5-24.5000125Q376Q376-D378 PolarHBondContact O-N 3.48Å; Q376-D378 VanDerWaalsContact O-N 3.16Å
379E41.9Very low55.9Low188 Ų188100.3 Ų100.388%0.87950%0.503SS*.  trans-117.33.7-170.9-68.8-165.1157.400117.5N377N377-E379 VanDerWaalsContact C-N 3.29Å; N377-E379 PolarHBondContact O-N 3.04Å
380V43.8Very low53.3Low88 Ų88101.9 Ų101.953%0.53352%0.515SS..  trans-114.1113.9-177-170.60000112.6
381R41.4Very low51Low243 Ų24399.5 Ų99.592%0.91751%0.512SS*.PPolyproline II helixtrans-69125.6168-91.8-179.2173.6171.9-0.7109.8
382F45.9Very low48.6Very low95 Ų95104.6 Ų104.642%0.41753%0.529SS..PPolyproline II helixtrans-72131.4167.9-73.3-85.6000111N353N353-F382 WeakPolarHBondContact OD1-CE2 3.38Å
383D39.1Very low46.2Very low148 Ų148107 Ų10779%0.79155%0.547SS*.PPolyproline II helixtrans-64.9136.9160.1-75.3-39.4000109.4V385D383-V385 PolarHBondContact O-N 3.41Å
384P42.8Very low43.8Very low96 Ų96113.8 Ų113.862%0.62358%0.576SS**PPolyproline II helixtrans-58.6128178.323.6-32.7000110.4
385V44.9Very low42.2Very low73 Ų73117.3 Ų117.344%0.44260%0.596SS.*PPolyproline II helixtrans-52.7129.1173.1178.90000108.9D383 E387 E389D383-V385 PolarHBondContact O-N 3.41Å; V385-E387 PolarHBondContact O-N 3.1Å; V385-E389 HydrophobicContact CG1-CB 4.19Å
386P41.8Very low40.7Very low86 Ų86117.9 Ų117.956%0.55861%0.606SS**PPolyproline II helixtrans-53.6129.1176.9-23.531.5000110.6Q388 E389P386-Q388 PolarHBondContact O-N 3.38Å; P386-E389 PolarHBondContact O-N 3.01Å
387E44.4Very low39.7Very low93 Ų93117.4 Ų117.444%0.43562%0.615SS.*Hα-helixtrans-51.2-16.8178.8-74.3174.8129.800114R188 V385 S390 S391R188-E387 IonicContact CZ-OE1 3.02Å; R188-E387 IonicContact CZ-OE2 3.29Å; R188-E387 IonicContact NH1-OE1 2.7Å; R188-E387 PolarHBondContact NH1-OE1 2.87Å; R188-E387 IonicContact NH1-OE2 2.78Å; R188-E387 PolarHBondContact NH1-OE2 3.47Å; R188-E387 IonicContact NH2-OE1 2.68Å; R188-E387 IonicContact NH2-OE2 3.86Å; R188-E387 PolarHBondContact NH2-OE2 3.34Å; V385-E387 PolarHBondContact O-N 3.1Å; E387-S390 PolarHBondContact O-OG 3.15Å; E387-S391 PolarHBondContact O-OG 3.29Å; E387-S391 VanDerWaalsContact O-OG 3.08Å
388Q44.2Very low38.9Very low109 Ų109120.9 Ų120.951%0.50962%0.624SS.*Hα-helixtrans-71.2-21.9178.1-64.6-170.7-0.400114.4P386 R392P386-Q388 PolarHBondContact O-N 3.38Å; Q388-R392 WeakPolarHBondContact O-CD 3.5Å; Q388-R392 VanDerWaalsContact O-CG 3.24Å; Q388-R392 WeakPolarHBondContact O-CG 3.31Å; Q388-R392 PolarHBondContact O-NE 3.26Å
389E41Very low38.2Very low124 Ų124123.4 Ų123.458%0.57963%0.628SS**Hα-helixtrans-87.3-26.5179.6-72.5-165.8156.900113.5V385 P386 S391V385-E389 HydrophobicContact CG1-CB 4.19Å; P386-E389 PolarHBondContact O-N 3.01Å; E389-S391 VanDerWaalsContact C-N 3.27Å; E389-S391 PolarHBondContact O-N 2.84Å
390S37.8Very low37.5Very low43 Ų43121.1 Ų121.130%0.30162%0.62SS.*Hα-helixtrans-70-25.9178.852.40000113.7R324 E387R324-S390 PolarHBondContact NH2-OG 3.38Å; E387-S390 PolarHBondContact O-OG 3.15Å
391S41.7Very low36.8Very low61 Ų61122.4 Ų122.443%0.42763%0.63SS.*SBendtrans-99.5-14.6-168.7-410000113.3R213 E387 E389R213-S391 PolarHBondContact NH1-O 3.1Å; E387-S391 PolarHBondContact O-OG 3.29Å; E387-S391 VanDerWaalsContact O-OG 3.08Å; E389-S391 VanDerWaalsContact C-N 3.27Å; E389-S391 PolarHBondContact O-N 2.84Å
392R38.2Very low36.1Very low166 Ų166118.1 Ų118.163%0.62663%0.625SS**  trans-77.8128.6-176.9-79.5174.9-166.2-153.75.9110.7Q388Q388-R392 WeakPolarHBondContact O-CD 3.5Å; Q388-R392 VanDerWaalsContact O-CG 3.24Å; Q388-R392 WeakPolarHBondContact O-CG 3.31Å; Q388-R392 PolarHBondContact O-NE 3.26Å
393P34.6Very low35.3Very low86 Ų86121.3 Ų121.356%0.55865%0.646SS**  trans-60.1151.7159.221.1-20.8000109.2V395P393-V395 PolarHBondContact O-N 3.21Å; P393-V395 VanDerWaalsContact O-N 3.08Å
394F31Very low34.8Very low166 Ų166121.5 Ų121.573%0.72865%0.645SS**  trans-56.7115.2175.5-178.6-101.5000109.9
395V33.2Very low34Very low111 Ų111128 Ų12867%0.67366%0.658SS**  trans-127.6122.7169.8-177.80000106.8P393 S397P393-V395 PolarHBondContact O-N 3.21Å; P393-V395 VanDerWaalsContact O-N 3.08Å; V395-S397 PolarHBondContact O-N 3.23Å
396P26.5Very low33.1Very low107 Ų107133.3 Ų133.370%0.69568%0.675SS**PPolyproline II helixtrans-64120.5179.722.7-29.1000110.4
397S29.8Very low32.5Very low105 Ų105134 Ų13473%0.73468%0.679SS**PPolyproline II helixtrans-83.7127.8-174.459.90000112.6V395V395-S397 PolarHBondContact O-N 3.23Å
398K30.3Very low32.1Very low207 Ų207139.4 Ų139.490%0.970%0.697SS**PPolyproline II helixtrans-92.5123.9146.9-85.1-175.5174.5-178.30107.9
399K28.9Very low31.4Very low197 Ų197138.6 Ų138.686%0.85770%0.701SS**PPolyproline II helixtrans-70.4139.7175.7-71.7179.5173.3-177.80110.4
400I26.9Very low31.2Very low140 Ų140138.9 Ų138.972%0.71871%0.707SS**  trans-135.7128.3150.8-57.1-179.5000107.3
401P28.5Very low31Very low114 Ų114143.7 Ų143.774%0.7473%0.728SS**  trans-90.4168-178.79.110.9000114.1
402D27.8Very low30.9Very low153 Ų153147.9 Ų147.982%0.81874%0.735SS**  trans-56.6145.8-170.8-56.5-65.5000117.4
403L28.7Very low30.8Very low162 Ų162147.3 Ų147.385%0.84875%0.745SS**  trans-155.8102.6152-104137.2000112.7
404I28.7Very low30.8Very low152 Ų152154.3 Ų154.378%0.77976%0.76SS**  48.1141.6121.3-53.9173.3000120.7
405R24.5Very low31.1Very low234 Ų234155.5 Ų155.588%0.88376%0.759SS**  trans-69.1154.3-167.7-60.4172.7175.5-178.9-2.6116
406F26.6Very low31.3Very low183 Ų183158.1 Ų158.180%0.80377%0.77SS**  trans-128.9144.3162.9-97.1-83.6000112.4
407P30.1Very low31.9Very low100 Ų100158.5 Ų158.565%0.64977%0.77SS**  trans-116.5113.2173.135.3-19.7000112.5
408Y34.2Very low32.2Very low207 Ų207162.1 Ų162.181%0.81278%0.776SS**  trans-155.5114.9158.5-74.1-67.9000110.7
409P31.4Very low32.6Very low92 Ų92162.6 Ų162.660%0.59778%0.778SS**  trans-89.7-4.1-176.1-9.528.1000117.4
410D35.8Very low32.8Very low131 Ų131158.7 Ų158.770%0.70178%0.775SS**  trans-108.819.1-155.8-62.2-32.3000117.7
411L33.4Very low33.1Very low143 Ų143157.1 Ų157.175%0.74978%0.777SS**SBendtrans-94.86.4-174.4-78.6167.3000116.7
412W39.7Very low33.4Very low149 Ų149157 Ų15756%0.56478%0.779SS**SBendtrans-1043.6-173-64.299.2000116.1C29 R414C29-W412 HydrophobicContact CB-CH2 4.36Å; C29-W412 HydrophobicContact CB-CZ2 4.19Å; W412-R414 PolarHBondContact O-N 3.46Å
413N36.4Very low33.7Very low155 Ų155161.9 Ų161.983%0.82980%0.803SS**  trans-97.832.3-175.2-76.5-8.3000115.5
414R35.1Very low34Very low232 Ų232161.9 Ų161.988%0.87580%0.801SS**  trans-132.938.3-177.2-91.4-166.8178-170.20.3116.1W412W412-R414 PolarHBondContact O-N 3.46Å
415R36.2Very low34.3Very low192 Ų192162.4 Ų162.473%0.72580%0.802SS**SBendtrans-120.52.9172.5-89.7-162.8-169.1177.610.9117.7
416D38.8Very low34.8Very low166 Ų166158.4 Ų158.489%0.88880%0.798SS**SBendtrans-103.415.4-179-63.5-29.3000114.7
417T37.2Very low35.3Very low115 Ų115156.9 Ų156.971%0.70680%0.798SS**SBendtrans-138.180.6176.853.50000110
418E36.4Very low35.6Very low181 Ų181160.5 Ų160.585%0.84681%0.807SS**SBendtrans-174.50.2157.9-106.5164.4-150.800114.7
419F39.2Very low35.7Very low216 Ų216157.4 Ų157.495%0.94781%0.807SS**SBendtrans-108.370.5169.2-84-86.1000111.4
420S33Very low36Very low115 Ų115162.1 Ų162.180%0.80482%0.822SS**SBendtrans-168.257.5161.836.40000110.8
421S32.6Very low36Very low107 Ų107164.5 Ų164.575%0.74883%0.831SS**SBendtrans-168.676.7163.359.40000111.5
422S36.4Very low36.3Very low113 Ų113166.3 Ų166.379%0.7984%0.838SS**  trans159.4113.4145.6580000109.7
423L34.1Very low35.9Very low254 Ų254167.8 Ų167.8100%1.3386%0.863SS**  trans77.40173-64.6161.6000117.2

Retrieved 423 of 423 residues in 614.9 ms (Link to these results)

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