A0A087X2J9_POEFO Loading...

alpha-1,2-Mannosidase

AlphaFold DB , UniProt , Accession A0A087X2J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1H90.9Very high85.7Confident39 Ų3958.1 Ų58.118%0.18130%0.299CS..  0-72.30-17970.5000110.8L3 L4 T5 Y19 N21 L23 L24H1-L3 VanDerWaalsContact C-N 3.34Å; H1-L3 PolarHBondContact O-N 3.12Å; H1-L3 VanDerWaalsContact O-N 3.15Å; H1-L4 WeakPolarHBondContact O-CA 3.37Å; H1-L4 WeakPolarHBondContact O-CB 3.16Å; H1-L4 PolarHBondContact O-N 3.29Å; H1-T5 PolarHBondContact O-N 3.12Å; H1-T5 PolarHBondContact O-OG1 3.14Å; H1-Y19 WeakPolarHBondContact CA-OH 3.35Å; H1-Y19 VanDerWaalsContact CB-OH 3.31Å; H1-Y19 WeakPolarHBondContact CB-OH 3.36Å; H1-Y19 AromaticContact ND1-CE1 3.74Å; H1-Y19 AromaticContact ND1-CZ 3.85Å; H1-Y19 PolarHBondContact ND1-OH 3.07Å; H1-N21 PolarHBondContact CE1-OD1 3.09Å; H1-N21 PolarHBondContact ND1-OD1 2.95Å; H1-L23 HydrophobicContact CB-CB 4.14Å; H1-L24 HydrophobicContact CB-CB 4.34Å
2I90.4Very high85.4Confident26 Ų2656.3 Ų56.313%0.13331%0.305CS..THydrogen-bonded Turntrans-49.8-45.9-173.1-70.1166000114.5D6 I78 L82 P349 F354I2-D6 PolarHBondContact O-N 3.32Å; I2-I78 HydrophobicContact CD1-CG2 3.6Å; I2-L82 HydrophobicContact CD1-CD1 4.21Å; I2-L82 HydrophobicContact CG1-CD1 4.01Å; I2-P349 HydrophobicContact CG2-CG 3.49Å; I2-P349 VanDerWaalsContact CG2-CG 3.49Å; I2-F354 HydrophobicContact CD1-CZ 4.25Å
3L88.3Confident84.5Confident56 Ų5665.8 Ų65.829%0.29335%0.346SS..THydrogen-bonded Turntrans-73.8-28.9178.8-60.8-178.6000113.3H1 F11 Y339 V347H1-L3 VanDerWaalsContact C-N 3.34Å; H1-L3 PolarHBondContact O-N 3.12Å; H1-L3 VanDerWaalsContact O-N 3.15Å; L3-F11 HydrophobicContact CD1-CE2 4.41Å; L3-F11 HydrophobicContact CD2-CE2 4.01Å; L3-Y339 HydrophobicContact CD2-CE1 4.15Å; L3-V347 HydrophobicContact CD1-CB 4.41Å; L3-V347 HydrophobicContact CD2-CG1 4.15Å
4L88.8Confident83.8Confident39 Ų3966.7 Ų66.720%0.20436%0.356CS..THydrogen-bonded Turntrans-76.2-30179.7-57.6175000111.6H1 V14 Y19 L23H1-L4 WeakPolarHBondContact O-CA 3.37Å; H1-L4 WeakPolarHBondContact O-CB 3.16Å; H1-L4 PolarHBondContact O-N 3.29Å; L4-V14 HydrophobicContact CD2-CG2 4.49Å; L4-V14 WeakPolarHBondContact CD2-O 3.41Å; L4-Y19 HydrophobicContact CB-CD1 4.33Å; L4-Y19 HydrophobicContact CB-CE1 4.25Å; L4-Y19 HydrophobicContact CD1-CD1 4.4Å; L4-Y19 HydrophobicContact CD1-CD2 4.17Å; L4-Y19 HydrophobicContact CD1-CE1 4.19Å; L4-Y19 HydrophobicContact CD1-CE2 3.97Å; L4-Y19 HydrophobicContact CD1-CG 4.4Å; L4-L23 HydrophobicContact CD1-CD1 3.78Å
5T88.2Confident82.6Confident49 Ų4964.7 Ų64.730%0.30136%0.357SS..SBendtrans-101.910.8-179.9590000112.5H1 P7 Y19H1-T5 PolarHBondContact O-N 3.12Å; H1-T5 PolarHBondContact O-OG1 3.14Å; T5-P7 WeakPolarHBondContact O-CD 3.43Å; T5-Y19 HydrophobicContact CG2-CD1 4.16Å; T5-Y19 HydrophobicContact CG2-CE1 3.77Å
6D85.6Confident82.3Confident9 Ų970.7 Ų70.75%0.04838%0.379CS..  trans-71.9114.3177.2-170.4-25.7000109.5I2 K8 H9 Y339I2-D6 PolarHBondContact O-N 3.32Å; D6-K8 PolarHBondContact O-N 3.03Å; D6-K8 VanDerWaalsContact O-N 3.09Å; D6-K8 WeakPolarHBondContact OD1-CB 2.99Å; D6-K8 PolarHBondContact OD1-N 3.43Å; D6-H9 PolarHBondContact O-CE1 2.85Å; D6-H9 PolarHBondContact O-N 3.01Å; D6-H9 PolarHBondContact O-ND1 3.08Å; D6-Y339 PolarHBondContact OD2-OH 2.92Å
7P81.8Confident82.1Confident103 Ų10380.8 Ų80.867%0.66941%0.41SS*.THydrogen-bonded Turntrans-62.2-22.8-177.426.5-35.4000112.8T5 H9T5-P7 WeakPolarHBondContact O-CD 3.43Å; P7-H9 VanDerWaalsContact C-N 3.28Å; P7-H9 PolarHBondContact O-N 3.5Å; P7-H9 PolarHBondContact O-ND1 2.97Å
8K82.7Confident82.4Confident142 Ų14284.6 Ų84.662%0.61743%0.432SS*.THydrogen-bonded Turntrans-77-15.5179.1-61.8179.6-179.7177.70113.1D6 P10D6-K8 PolarHBondContact O-N 3.03Å; D6-K8 VanDerWaalsContact O-N 3.09Å; D6-K8 WeakPolarHBondContact OD1-CB 2.99Å; D6-K8 PolarHBondContact OD1-N 3.43Å; K8-P10 VanDerWaalsContact C-N 3.33Å
9H81.8Confident82.8Confident88 Ų8882.4 Ų82.441%0.40742%0.418SS..  trans40.555.4-175.8-61.586.1000113.1D6 P7 F11 G12D6-H9 PolarHBondContact O-CE1 2.85Å; D6-H9 PolarHBondContact O-N 3.01Å; D6-H9 PolarHBondContact O-ND1 3.08Å; P7-H9 VanDerWaalsContact C-N 3.28Å; P7-H9 PolarHBondContact O-N 3.5Å; P7-H9 PolarHBondContact O-ND1 2.97Å; H9-F11 PolarHBondContact O-N 3.05Å; H9-F11 VanDerWaalsContact O-N 3.12Å; H9-G12 PolarHBondContact O-N 3.2Å
10P81.2Confident83.2Confident23 Ų2383.7 Ų83.715%0.14943%0.426CS..THydrogen-bonded Turntrans-65-24.3-170.115.9-16.4000112.6K8 P331 Y339K8-P10 VanDerWaalsContact C-N 3.33Å; P10-P331 HydrophobicContact CB-CB 4.09Å; P10-P331 VanDerWaalsContact O-CB 3.23Å; P10-P331 WeakPolarHBondContact O-CB 3.16Å; P10-P331 WeakPolarHBondContact O-CG 3.32Å; P10-Y339 WeakPolarHBondContact CG-OH 3.4Å
11F82.8Confident83.7Confident65 Ų6582.3 Ų82.329%0.28542%0.42SS..THydrogen-bonded Turntrans-10014.6175.8-56.9-79000113.2L3 H9 V14 P331 L332L3-F11 HydrophobicContact CD1-CE2 4.41Å; L3-F11 HydrophobicContact CD2-CE2 4.01Å; H9-F11 PolarHBondContact O-N 3.05Å; H9-F11 VanDerWaalsContact O-N 3.12Å; F11-V14 HydrophobicContact CB-CG1 4.4Å; F11-V14 HydrophobicContact CB-CG2 4.33Å; F11-P331 HydrophobicContact CD1-CB 4.27Å; F11-P331 HydrophobicContact CD1-CG 4Å; F11-P331 HydrophobicContact CE1-CB 4.13Å; F11-P331 HydrophobicContact CE1-CG 4.23Å; F11-L332 HydrophobicContact CE1-CD2 4.43Å; F11-L332 HydrophobicContact CE1-CG 4.01Å; F11-L332 HydrophobicContact CE2-CD2 4.36Å; F11-L332 HydrophobicContact CZ-CD1 4.19Å; F11-L332 HydrophobicContact CZ-CD2 3.56Å; F11-L332 HydrophobicContact CZ-CG 3.61Å
12G81.9Confident83.9Confident36 Ų3684.6 Ų84.637%0.37143%0.43SS..  trans79.3-170.4-171.500000113.4H9 V14H9-G12 PolarHBondContact O-N 3.2Å; G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.91Å
13E73.8Confident84.2Confident180 Ų18087.6 Ų87.684%0.84145%0.446SS*.SBendtrans-7478.5174.1-70.7-173.6179.600110.3G15E13-G15 VanDerWaalsContact C-N 3.3Å
14V74.4Confident84.6Confident79 Ų7986 Ų8648%0.47944%0.438SS..  trans-85.7-3.6172-80.50000112.9L4 F11 G12L4-V14 HydrophobicContact CD2-CG2 4.49Å; L4-V14 WeakPolarHBondContact CD2-O 3.41Å; F11-V14 HydrophobicContact CB-CG1 4.4Å; F11-V14 HydrophobicContact CB-CG2 4.33Å; G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.91Å
15G66.9Low84.9Confident36 Ų3689.4 Ų89.437%0.37145%0.452SS..SBendtrans-78.3148-179.300000114E13E13-G15 VanDerWaalsContact C-N 3.3Å
16F77.1Confident85.4Confident161 Ų16192.4 Ų92.471%0.70647%0.466SS*.  trans-78.2137.6163.3-57.8-77.6000108.8D18 Y19F16-D18 PolarHBondContact O-N 3Å; F16-D18 VanDerWaalsContact O-N 3.12Å; F16-Y19 WeakPolarHBondContact O-CB 3.31Å; F16-Y19 PolarHBondContact O-N 2.91Å; F16-Y19 VanDerWaalsContact O-N 3.14Å
17R78.8Confident85.9Confident243 Ų24394.2 Ų94.292%0.91748%0.482SS*.THydrogen-bonded Turntrans-57.3-29.1-178.1-71.5-175.9175.9-179.4-1.5113.5
18D87.6Confident86.7Confident149 Ų14992.6 Ų92.680%0.79747%0.465SS*.THydrogen-bonded Turntrans-108.923.8-176.5-52-44.6000112.5F16 D20F16-D18 PolarHBondContact O-N 3Å; F16-D18 VanDerWaalsContact O-N 3.12Å; D18-D20 PolarHBondContact O-N 3.14Å
19Y91Very high87.4Confident43 Ų4389.1 Ų89.117%0.16945%0.453CS..  trans-69.3115.5178.1178.7-108.8000111.3H1 L4 T5 F16 E22 L23H1-Y19 WeakPolarHBondContact CA-OH 3.35Å; H1-Y19 VanDerWaalsContact CB-OH 3.31Å; H1-Y19 WeakPolarHBondContact CB-OH 3.36Å; H1-Y19 AromaticContact ND1-CE1 3.74Å; H1-Y19 AromaticContact ND1-CZ 3.85Å; H1-Y19 PolarHBondContact ND1-OH 3.07Å; L4-Y19 HydrophobicContact CB-CD1 4.33Å; L4-Y19 HydrophobicContact CB-CE1 4.25Å; L4-Y19 HydrophobicContact CD1-CD1 4.4Å; L4-Y19 HydrophobicContact CD1-CD2 4.17Å; L4-Y19 HydrophobicContact CD1-CE1 4.19Å; L4-Y19 HydrophobicContact CD1-CE2 3.97Å; L4-Y19 HydrophobicContact CD1-CG 4.4Å; T5-Y19 HydrophobicContact CG2-CD1 4.16Å; T5-Y19 HydrophobicContact CG2-CE1 3.77Å; F16-Y19 WeakPolarHBondContact O-CB 3.31Å; F16-Y19 PolarHBondContact O-N 2.91Å; F16-Y19 VanDerWaalsContact O-N 3.14Å; Y19-E22 WeakPolarHBondContact CD2-OE2 3.34Å; Y19-E22 WeakPolarHBondContact CE2-OE2 3.36Å; Y19-L23 HydrophobicContact CE2-CB 4.4Å; Y19-L23 HydrophobicContact CE2-CD1 4.24Å; Y19-L23 HydrophobicContact CE2-CG 4.05Å; Y19-L23 WeakPolarHBondContact OH-CB 3.41Å; Y19-L23 PolarHBondContact OH-N 3.45Å
20D91.1Very high88.2Confident107 Ų10788.9 Ų88.957%0.57246%0.455SS*.  trans-115.654.6-179.7-170.627.2000111.7D18 E22D18-D20 PolarHBondContact O-N 3.14Å; D20-E22 VanDerWaalsContact N-CD 3.34Å; D20-E22 PolarHBondContact N-OE1 3.23Å; D20-E22 VanDerWaalsContact N-OE1 3.12Å; D20-E22 PolarHBondContact N-OE2 3.36Å; D20-E22 PolarHBondContact O-N 3.23Å; D20-E22 VanDerWaalsContact O-N 3.08Å
21N93.8Very high89Confident56 Ų5688 Ų8830%0.29945%0.449SS..SBendtrans60.321.9172.9-57.5-45.1000115.5H1 L23 L24 H25H1-N21 PolarHBondContact CE1-OD1 3.09Å; H1-N21 PolarHBondContact ND1-OD1 2.95Å; N21-L23 VanDerWaalsContact C-N 3.29Å; N21-L23 PolarHBondContact O-N 3.12Å; N21-L24 HydrophobicContact CB-CB 4.35Å; N21-L24 WeakPolarHBondContact O-CA 3.43Å; N21-L24 WeakPolarHBondContact O-CB 3.46Å; N21-L24 PolarHBondContact O-N 3.49Å; N21-H25 PolarHBondContact O-N 3.02Å
22E95Very high89.7Confident86 Ų8687.9 Ų87.940%0.40245%0.454SS..Hα-helixtrans-59.1-40.4-173.5-59.485167.700111.8Y19 D20 L24 H25 L26Y19-E22 WeakPolarHBondContact CD2-OE2 3.34Å; Y19-E22 WeakPolarHBondContact CE2-OE2 3.36Å; D20-E22 VanDerWaalsContact N-CD 3.34Å; D20-E22 PolarHBondContact N-OE1 3.23Å; D20-E22 VanDerWaalsContact N-OE1 3.12Å; D20-E22 PolarHBondContact N-OE2 3.36Å; D20-E22 PolarHBondContact O-N 3.23Å; D20-E22 VanDerWaalsContact O-N 3.08Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 2.9Å; E22-H25 PolarHBondContact O-N 3.46Å; E22-L26 WeakPolarHBondContact O-CG 3.31Å; E22-L26 PolarHBondContact O-N 2.87Å
23L95.3Very high90.4Very high89 Ų8990.8 Ų90.847%0.46645%0.454SS..Hα-helixtrans-63.1-32.4175-59.9172.8000113H1 L4 Y19 N21 A27H1-L23 HydrophobicContact CB-CB 4.14Å; L4-L23 HydrophobicContact CD1-CD1 3.78Å; Y19-L23 HydrophobicContact CE2-CB 4.4Å; Y19-L23 HydrophobicContact CE2-CD1 4.24Å; Y19-L23 HydrophobicContact CE2-CG 4.05Å; Y19-L23 WeakPolarHBondContact OH-CB 3.41Å; Y19-L23 PolarHBondContact OH-N 3.45Å; N21-L23 VanDerWaalsContact C-N 3.29Å; N21-L23 PolarHBondContact O-N 3.12Å; L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 2.88Å
24L96.4Very high91.5Very high23 Ų2384.4 Ų84.412%0.1243%0.425CS..Hα-helixtrans-73.4-41.1174.9-179.362000110.5H1 N21 E22 L26 A27 H28 L79 L82 I83H1-L24 HydrophobicContact CB-CB 4.34Å; N21-L24 HydrophobicContact CB-CB 4.35Å; N21-L24 WeakPolarHBondContact O-CA 3.43Å; N21-L24 WeakPolarHBondContact O-CB 3.46Å; N21-L24 PolarHBondContact O-N 3.49Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 2.9Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 3.15Å; L24-A27 PolarHBondContact O-N 3.4Å; L24-H28 WeakPolarHBondContact O-CB 3.46Å; L24-H28 PolarHBondContact O-N 3.26Å; L24-L79 HydrophobicContact CD1-CD1 3.78Å; L24-L82 HydrophobicContact CD1-CB 4.16Å; L24-L82 HydrophobicContact CD1-CD1 3.96Å; L24-L82 HydrophobicContact CD2-CB 4.44Å; L24-I83 HydrophobicContact CD1-CG2 4.2Å; L24-I83 HydrophobicContact CD2-CG2 4.33Å; L24-I83 HydrophobicContact CG-CG2 4.37Å
25H96.9Very high92.5Very high110 Ų11082.1 Ų82.151%0.50941%0.41SS..Hα-helixtrans-59.8-42.9174.6-63.4152.7000112N21 E22 H28 D29N21-H25 PolarHBondContact O-N 3.02Å; E22-H25 PolarHBondContact O-N 3.46Å; H25-H28 PolarHBondContact O-N 2.87Å; H25-D29 WeakPolarHBondContact O-CB 3.41Å; H25-D29 PolarHBondContact O-N 3.07Å
26L97.3Very high93.8Very high113 Ų11382.2 Ų82.259%0.59240%0.404SS*.Hα-helixtrans-66.6-39.6175.8-69173.5000112.4E22 L24 D29 L30E22-L26 WeakPolarHBondContact O-CG 3.31Å; E22-L26 PolarHBondContact O-N 2.87Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 3.15Å; L26-D29 PolarHBondContact O-N 3.23Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 PolarHBondContact O-N 2.99Å
27A97.6Very high94.7Very high46 Ų4674.8 Ų74.838%0.3837%0.373SS..Hα-helixtrans-63.6-42.2174.900000111.6L23 L24 L30 A31L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 2.88Å; L24-A27 PolarHBondContact O-N 3.4Å; A27-L30 PolarHBondContact O-N 2.84Å; A27-A31 WeakPolarHBondContact O-CB 2.98Å; A27-A31 PolarHBondContact O-N 2.85Å
28H97.8Very high95.4Very high69 Ų6963.5 Ų63.532%0.31933%0.33SS..Hα-helixtrans-63.8-48.1175179.1-100.7000112L24 H25 L30 A31 V32 L79 F88L24-H28 WeakPolarHBondContact O-CB 3.46Å; L24-H28 PolarHBondContact O-N 3.26Å; H25-H28 PolarHBondContact O-N 2.87Å; H28-L30 VanDerWaalsContact C-N 3.31Å; H28-L30 PolarHBondContact O-N 2.78Å; H28-A31 PolarHBondContact O-N 2.93Å; H28-V32 WeakPolarHBondContact O-CG2 3.23Å; H28-V32 PolarHBondContact O-N 3.24Å; H28-L79 HydrophobicContact CB-CD1 4.26Å; H28-F88 AromaticContact CD2-CE2 3.84Å; H28-F88 AromaticContact CD2-CZ 3.81Å; H28-F88 AromaticContact NE2-CE2 3.94Å; H28-F88 AromaticContact NE2-CZ 3.82Å
29D98Very high95.6Very high69 Ų6961.9 Ų61.937%0.36932%0.318SS..Hα-helixtrans-56.9-44.7176.6178.177000111.6H25 L26 V32 R33H25-D29 WeakPolarHBondContact O-CB 3.41Å; H25-D29 PolarHBondContact O-N 3.07Å; L26-D29 PolarHBondContact O-N 3.23Å; D29-V32 PolarHBondContact O-N 3.15Å; D29-R33 VanDerWaalsContact O-CG 3.29Å; D29-R33 WeakPolarHBondContact O-CG 2.98Å; D29-R33 PolarHBondContact O-N 3.24Å; D29-R33 IonicContact OD1-CZ 3.54Å; D29-R33 IonicContact OD1-NE 3.42Å; D29-R33 PolarHBondContact OD1-NE 3.5Å; D29-R33 IonicContact OD1-NH2 2.84Å; D29-R33 PolarHBondContact OD1-NH2 2.93Å; D29-R33 IonicContact OD2-CZ 3.46Å; D29-R33 IonicContact OD2-NE 2.78Å; D29-R33 PolarHBondContact OD2-NE 3.49Å; D29-R33 IonicContact OD2-NH2 3.24Å; D29-R33 PolarHBondContact OD2-NH2 3.18Å
30L98Very high95.4Very high83 Ų8366.6 Ų66.644%0.43535%0.346SS..Hα-helixtrans-63-47.1175.9-179.159.6000111.6L26 A27 H28 V32 R33 L34 L52L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 PolarHBondContact O-N 2.99Å; A27-L30 PolarHBondContact O-N 2.84Å; H28-L30 VanDerWaalsContact C-N 3.31Å; H28-L30 PolarHBondContact O-N 2.78Å; L30-V32 VanDerWaalsContact C-N 3.32Å; L30-V32 PolarHBondContact O-N 3.42Å; L30-R33 WeakPolarHBondContact O-CB 3.34Å; L30-R33 PolarHBondContact O-N 3.05Å; L30-R33 VanDerWaalsContact O-N 3.08Å; L30-L34 HydrophobicContact CG-CD1 4.4Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 2.95Å; L30-L34 VanDerWaalsContact O-N 3.11Å; L30-L52 HydrophobicContact CD1-CD1 4.2Å; L30-L52 HydrophobicContact CD1-CD2 3.87Å
31A97Very high95.4Very high4 Ų462.4 Ų62.43%0.03332%0.324CS..Hα-helixtrans-60.9-41-179.500000112.2A27 H28 R33 L34 L35 F76 L79 F88A27-A31 WeakPolarHBondContact O-CB 2.98Å; A27-A31 PolarHBondContact O-N 2.85Å; H28-A31 PolarHBondContact O-N 2.93Å; A31-R33 VanDerWaalsContact C-N 3.28Å; A31-R33 PolarHBondContact O-N 3.38Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 2.95Å; A31-L35 PolarHBondContact O-N 2.99Å; A31-F76 HydrophobicContact CB-CE1 4.29Å; A31-L79 HydrophobicContact CB-CD2 3.25Å; A31-F88 HydrophobicContact CB-CD1 3.71Å; A31-F88 HydrophobicContact CB-CE1 3.5Å; A31-F88 VanDerWaalsContact CB-CE1 3.5Å; A31-F88 HydrophobicContact CB-CZ 4.25Å
32V97.2Very high95.2Very high63 Ų6364.5 Ų64.538%0.38234%0.343SS..Hα-helixtrans-58.5-41.3174.11710000111.1H28 D29 L30 L34 L35 F88H28-V32 WeakPolarHBondContact O-CG2 3.23Å; H28-V32 PolarHBondContact O-N 3.24Å; D29-V32 PolarHBondContact O-N 3.15Å; L30-V32 VanDerWaalsContact C-N 3.32Å; L30-V32 PolarHBondContact O-N 3.42Å; V32-L34 PolarHBondContact O-N 2.77Å; V32-L35 WeakPolarHBondContact O-CB 3.37Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-F88 HydrophobicContact CG2-CE1 4.24Å; V32-F88 HydrophobicContact CG2-CZ 3.82Å
33R97.2Very high95Very high97 Ų9762.2 Ų62.237%0.36634%0.335SS..Hα-helixtrans-69.5-18.8176.9-64.8169.7-169-69.3-12.8113.6D29 L30 A31 P36 L52D29-R33 VanDerWaalsContact O-CG 3.29Å; D29-R33 WeakPolarHBondContact O-CG 2.98Å; D29-R33 PolarHBondContact O-N 3.24Å; D29-R33 IonicContact OD1-CZ 3.54Å; D29-R33 IonicContact OD1-NE 3.42Å; D29-R33 PolarHBondContact OD1-NE 3.5Å; D29-R33 IonicContact OD1-NH2 2.84Å; D29-R33 PolarHBondContact OD1-NH2 2.93Å; D29-R33 IonicContact OD2-CZ 3.46Å; D29-R33 IonicContact OD2-NE 2.78Å; D29-R33 PolarHBondContact OD2-NE 3.49Å; D29-R33 IonicContact OD2-NH2 3.24Å; D29-R33 PolarHBondContact OD2-NH2 3.18Å; L30-R33 WeakPolarHBondContact O-CB 3.34Å; L30-R33 PolarHBondContact O-N 3.05Å; L30-R33 VanDerWaalsContact O-N 3.08Å; A31-R33 VanDerWaalsContact C-N 3.28Å; A31-R33 PolarHBondContact O-N 3.38Å; R33-P36 WeakPolarHBondContact O-CD 3.26Å; R33-L52 HydrophobicContact CB-CB 4.5Å; R33-L52 HydrophobicContact CB-CD2 3.95Å; R33-L52 WeakPolarHBondContact CD-O 3.45Å; R33-L52 WeakPolarHBondContact CG-O 3.36Å; R33-L52 PolarHBondContact NH1-O 3.19Å
34L96.9Very high94.8Very high47 Ų4758.2 Ų58.225%0.24632%0.315CS..Hα-helixtrans-86.4-22.7175.6-64.6177000112.8L30 A31 V32 P36 A37 V50 L52 F76L30-L34 HydrophobicContact CG-CD1 4.4Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 2.95Å; L30-L34 VanDerWaalsContact O-N 3.11Å; A31-L34 WeakPolarHBondContact O-CB 3.28Å; A31-L34 PolarHBondContact O-N 2.95Å; V32-L34 PolarHBondContact O-N 2.77Å; L34-P36 VanDerWaalsContact C-N 3.34Å; L34-A37 WeakPolarHBondContact O-CB 3.46Å; L34-A37 PolarHBondContact O-N 3.42Å; L34-V50 HydrophobicContact CD2-CG1 3.6Å; L34-L52 HydrophobicContact CD2-CD2 4.13Å; L34-F76 HydrophobicContact CB-CZ 4.19Å; L34-F76 HydrophobicContact CD1-CE1 4.28Å; L34-F76 HydrophobicContact CD1-CZ 4.25Å
35L95.6Very high94.7Very high31 Ų3157.1 Ų57.116%0.16231%0.31CS..G310 helixtrans-53.1-38.3-179.5-68179.7000115A31 V32 A37 F38 T87 F88 V91A31-L35 PolarHBondContact O-N 2.99Å; V32-L35 WeakPolarHBondContact O-CB 3.37Å; V32-L35 PolarHBondContact O-N 3.47Å; L35-A37 PolarHBondContact O-N 2.9Å; L35-F38 PolarHBondContact O-N 3.41Å; L35-T87 HydrophobicContact CD1-CG2 4.16Å; L35-T87 HydrophobicContact CD2-CG2 4.38Å; L35-F88 HydrophobicContact CD1-CE1 3.88Å; L35-F88 HydrophobicContact CD1-CZ 4.43Å; L35-F88 HydrophobicContact CD2-CD1 3.84Å; L35-F88 HydrophobicContact CD2-CE1 3.99Å; L35-F88 HydrophobicContact CG-CD1 4.34Å; L35-F88 HydrophobicContact CG-CE1 3.97Å; L35-V91 HydrophobicContact CD2-CG2 3.97Å
36P95.3Very high94.7Very high37 Ų3752.1 Ų52.124%0.2429%0.287CS..G310 helixtrans-56.7-22.6176.4-27.436.2000114R33 L34 F38 E39 V50 V56R33-P36 WeakPolarHBondContact O-CD 3.26Å; L34-P36 VanDerWaalsContact C-N 3.34Å; P36-F38 PolarHBondContact O-N 2.88Å; P36-E39 PolarHBondContact O-N 3.45Å; P36-V50 HydrophobicContact CB-CG2 4.19Å; P36-V56 HydrophobicContact CB-CG2 4.5Å; P36-V56 WeakPolarHBondContact O-CG2 3.49Å
37A95.1Very high94.6Very high6 Ų648.5 Ų48.55%0.0527%0.266CS..G310 helixtrans-64.8-22.9174.500000113.1L34 L35 P46 Y47 V50L34-A37 WeakPolarHBondContact O-CB 3.46Å; L34-A37 PolarHBondContact O-N 3.42Å; L35-A37 PolarHBondContact O-N 2.9Å; A37-P46 HydrophobicContact CB-CB 4.28Å; A37-P46 CarbonylContact O-C 3.59Å; A37-P46 WeakPolarHBondContact O-CA 3.34Å; A37-Y47 WeakPolarHBondContact O-CD2 3.24Å; A37-Y47 PolarHBondContact O-N 3.09Å; A37-V50 HydrophobicContact CB-CB 4.22Å
38F94.3Very high94.3Very high6 Ų648.9 Ų48.93%0.02627%0.265CS..G310 helixtrans-95.9-3.7179.6-64.2-96.1000112.9L35 P36 P46 L72 F76 V91 R94 A95L35-F38 PolarHBondContact O-N 3.41Å; P36-F38 PolarHBondContact O-N 2.88Å; F38-P46 HydrophobicContact CD1-CB 3.76Å; F38-P46 HydrophobicContact CD1-CG 4.16Å; F38-P46 HydrophobicContact CD2-CB 4.24Å; F38-P46 HydrophobicContact CE1-CB 3.72Å; F38-P46 HydrophobicContact CE1-CG 3.71Å; F38-P46 HydrophobicContact CE2-CB 4.19Å; F38-P46 HydrophobicContact CG-CB 4.04Å; F38-P46 HydrophobicContact CZ-CB 3.95Å; F38-P46 HydrophobicContact CZ-CG 4.03Å; F38-L72 HydrophobicContact CE2-CD1 4.2Å; F38-L72 HydrophobicContact CZ-CD1 3.63Å; F38-F76 AromaticContact CE2-CE2 3.81Å; F38-F76 HydrophobicContact CE2-CE2 3.81Å; F38-F76 HydrophobicContact CE2-CZ 4.32Å; F38-F76 HydrophobicContact CZ-CE2 4.05Å; F38-V91 HydrophobicContact CB-CB 4.36Å; F38-V91 HydrophobicContact CB-CG1 4.47Å; F38-V91 HydrophobicContact CD1-CB 3.89Å; F38-V91 HydrophobicContact CD1-CG2 4.29Å; F38-V91 HydrophobicContact CD2-CG2 4.3Å; F38-V91 HydrophobicContact CE1-CB 4.26Å; F38-V91 HydrophobicContact CE1-CG2 4.3Å; F38-V91 HydrophobicContact CE2-CG2 4.32Å; F38-V91 HydrophobicContact CG-CB 4.03Å; F38-V91 HydrophobicContact CG-CG2 4.27Å; F38-V91 HydrophobicContact CZ-CG2 4.3Å; F38-R94 PolarHBondContact O-NH2 3.32Å; F38-A95 HydrophobicContact CE1-CB 4.02Å
39E90.4Very high94.1Very high114 Ų11454.8 Ų54.853%0.53328%0.284SS..SBendtrans-90.2151.2179.8-64.3-179177.700110.6P36 T41P36-E39 PolarHBondContact O-N 3.45Å; E39-T41 PolarHBondContact O-N 3.02Å
40N86.9Confident93.9Very high142 Ų14253.1 Ų53.176%0.75928%0.276SS*.SBendtrans58.228.1176.7-55.5-36.1000115.2Q118N40-Q118 PolarHBondContact O-NE2 3.01Å
41T90.4Very high93.8Very high19 Ų1952.6 Ų52.612%0.11727%0.274CS..  trans-103122.3172.464.40000109.2E39 T43 G44 I45 Y47 I117E39-T41 PolarHBondContact O-N 3.02Å; T41-T43 PolarHBondContact O-N 2.89Å; T41-G44 PolarHBondContact O-N 2.69Å; T41-G44 VanDerWaalsContact OG1-CA 3.29Å; T41-G44 WeakPolarHBondContact OG1-CA 3.35Å; T41-G44 PolarHBondContact OG1-N 3.11Å; T41-I45 WeakPolarHBondContact CB-O 3.47Å; T41-I45 WeakPolarHBondContact CG2-O 3.29Å; T41-Y47 HydrophobicContact CG2-CD2 3.68Å; T41-Y47 HydrophobicContact CG2-CE2 3.59Å; T41-I117 HydrophobicContact CG2-CD1 4.38Å
42S90Very high93.7Very high101 Ų10156.5 Ų56.571%0.70629%0.294SS*.SBendtrans-65.6-25.9179.4-60.80000113.8Q118S42-Q118 WeakPolarHBondContact CB-O 3.48Å; S42-Q118 VanDerWaalsContact N-OE1 3.1Å; S42-Q118 PolarHBondContact OG-OE1 2.99Å
43T91.4Very high93.6Very high37 Ų3762.3 Ų62.323%0.22731%0.314CS..SBendtrans-93.4-18.7-179.161.30000113.9T41 I45 A98 I117T41-T43 PolarHBondContact O-N 2.89Å; T43-I45 VanDerWaalsContact C-N 3.32Å; T43-I45 WeakPolarHBondContact OG1-CB 3.2Å; T43-I45 WeakPolarHBondContact OG1-CG1 3.36Å; T43-I45 PolarHBondContact OG1-N 3.17Å; T43-A98 WeakPolarHBondContact O-CB 3.38Å; T43-I117 WeakPolarHBondContact CB-O 3.43Å; T43-I117 WeakPolarHBondContact CG2-O 3.4Å; T43-I117 PolarHBondContact N-O 3.1Å; T43-I117 PolarHBondContact OG1-O 3.33Å
44G91.5Very high93.4Very high5 Ų562.6 Ų62.65%0.05233%0.326CS..SBendtrans84.2-0.2-169.200000114.8T41T41-G44 PolarHBondContact O-N 2.69Å; T41-G44 VanDerWaalsContact OG1-CA 3.29Å; T41-G44 WeakPolarHBondContact OG1-CA 3.35Å; T41-G44 PolarHBondContact OG1-N 3.11Å
45I94.7Very high93.2Very high0 Ų061 Ų610%032%0.321CS..PPolyproline II helixtrans-80.2129.6174-61.3173.7000109.1T41 T43 T64 A69 A98 L99 L102 I115 I117T41-I45 WeakPolarHBondContact CB-O 3.47Å; T41-I45 WeakPolarHBondContact CG2-O 3.29Å; T43-I45 VanDerWaalsContact C-N 3.32Å; T43-I45 WeakPolarHBondContact OG1-CB 3.2Å; T43-I45 WeakPolarHBondContact OG1-CG1 3.36Å; T43-I45 PolarHBondContact OG1-N 3.17Å; I45-T64 HydrophobicContact CG2-CG2 3.62Å; I45-A69 HydrophobicContact CG2-CB 3.6Å; I45-A98 HydrophobicContact CD1-CB 4.46Å; I45-A98 HydrophobicContact CG1-CB 3.78Å; I45-L99 HydrophobicContact CD1-CD2 3.81Å; I45-L99 HydrophobicContact CD1-CG 4.31Å; I45-L99 HydrophobicContact CG1-CD2 4.31Å; I45-L99 HydrophobicContact CG1-CG 4.36Å; I45-L102 HydrophobicContact CD1-CD1 3.71Å; I45-I115 HydrophobicContact CD1-CD1 3.77Å; I45-I117 HydrophobicContact CB-CB 4.44Å; I45-I117 HydrophobicContact CB-CG2 4.26Å; I45-I117 HydrophobicContact CG2-CG2 3.82Å
46P95.3Very high93Very high5 Ų561.3 Ų61.33%0.03232%0.324CS..PPolyproline II helixtrans-69.9151.4-174.728.6-36000113.4A37 F38 A69A37-P46 HydrophobicContact CB-CB 4.28Å; A37-P46 CarbonylContact O-C 3.59Å; A37-P46 WeakPolarHBondContact O-CA 3.34Å; F38-P46 HydrophobicContact CD1-CB 3.76Å; F38-P46 HydrophobicContact CD1-CG 4.16Å; F38-P46 HydrophobicContact CD2-CB 4.24Å; F38-P46 HydrophobicContact CE1-CB 3.72Å; F38-P46 HydrophobicContact CE1-CG 3.71Å; F38-P46 HydrophobicContact CE2-CB 4.19Å; F38-P46 HydrophobicContact CG-CB 4.04Å; F38-P46 HydrophobicContact CZ-CB 3.95Å; F38-P46 HydrophobicContact CZ-CG 4.03Å; P46-A69 HydrophobicContact CG-CB 4.06Å
47Y95Very high92.6Very high37 Ų3763 Ų6315%0.14534%0.336CS..PPolyproline II helixtrans-57.3142.1164.8-77.2-90.8000110.9A37 T41 R49 V56 N62 I117 Q118A37-Y47 WeakPolarHBondContact O-CD2 3.24Å; A37-Y47 PolarHBondContact O-N 3.09Å; T41-Y47 HydrophobicContact CG2-CD2 3.68Å; T41-Y47 HydrophobicContact CG2-CE2 3.59Å; Y47-R49 PolarHBondContact O-N 3.19Å; Y47-V56 HydrophobicContact CD1-CG1 3.68Å; Y47-V56 HydrophobicContact CD2-CG1 3.95Å; Y47-V56 HydrophobicContact CD2-CG2 4.06Å; Y47-V56 HydrophobicContact CE1-CG1 3.87Å; Y47-V56 HydrophobicContact CE2-CG1 4.17Å; Y47-V56 HydrophobicContact CG-CG1 3.72Å; Y47-V56 HydrophobicContact CG-CG2 4.17Å; Y47-N62 WeakPolarHBondContact CE1-OD1 3.22Å; Y47-I117 HydrophobicContact CD1-CD1 3.32Å; Y47-I117 HydrophobicContact CD2-CD1 3.89Å; Y47-I117 HydrophobicContact CE1-CD1 3.41Å; Y47-I117 VanDerWaalsContact CE1-CD1 3.41Å; Y47-I117 HydrophobicContact CE2-CD1 3.93Å; Y47-I117 HydrophobicContact CG-CD1 3.58Å; Y47-Q118 PolarHBondContact OH-NE2 3.38Å
48P93.2Very high91.9Very high55 Ų5572.4 Ų72.436%0.35738%0.378SS..SBendtrans-70.7-15.9-179.732.9-41000113.2V61 E63P48-V61 VanDerWaalsContact CD-O 3.26Å; P48-V61 WeakPolarHBondContact CD-O 3.35Å; P48-V61 HydrophobicContact CG-CB 4.37Å; P48-V61 WeakPolarHBondContact CG-O 3.35Å; P48-E63 WeakPolarHBondContact CG-O 3.32Å
49R92.9Very high91.2Very high193 Ų19379.9 Ų79.973%0.72842%0.418SS*.  trans-143.8139.2-174.4-62-177.1-176.3178.41.3110.6Y47Y47-R49 PolarHBondContact O-N 3.19Å
50V94.2Very high90.6Very high33 Ų3375.5 Ų75.520%0.240%0.404CS..  trans-139.1141.2175.563.40000109.5L34 P36 A37 V56L34-V50 HydrophobicContact CD2-CG1 3.6Å; P36-V50 HydrophobicContact CB-CG2 4.19Å; A37-V50 HydrophobicContact CB-CB 4.22Å; V50-V56 HydrophobicContact CB-CG2 4.35Å; V50-V56 HydrophobicContact CG2-CG2 4.08Å
51N94.8Very high90.6Very high72 Ų7272.4 Ų72.439%0.38539%0.39SS..BIsolated β-bridgetrans-84.1120.5169.9-175.7-55.3000109K53 T54 G55N51-K53 PolarHBondContact O-N 2.96Å; N51-K53 WeakPolarHBondContact OD1-CA 3.37Å; N51-K53 WeakPolarHBondContact OD1-CB 3.16Å; N51-K53 PolarHBondContact OD1-N 2.91Å; N51-T54 VanDerWaalsContact CB-OG1 3.32Å; N51-T54 WeakPolarHBondContact CB-OG1 3.39Å; N51-T54 PolarHBondContact ND2-OG1 2.93Å; N51-T54 PolarHBondContact O-N 3.01Å; N51-T54 PolarHBondContact OD1-N 3Å; N51-T54 PolarHBondContact OD1-OG1 2.84Å; N51-G55 WeakPolarHBondContact CB-O 3.19Å; N51-G55 PolarHBondContact N-O 3.28Å; N51-G55 WeakPolarHBondContact O-CA 3Å; N51-G55 PolarHBondContact O-N 2.8Å
52L95.3Very high90.6Very high86 Ų8674.4 Ų74.445%0.4540%0.4SS..THydrogen-bonded Turntrans-61.9-14.4-176.8-62-178000114.8L30 R33 L34L30-L52 HydrophobicContact CD1-CD1 4.2Å; L30-L52 HydrophobicContact CD1-CD2 3.87Å; R33-L52 HydrophobicContact CB-CB 4.5Å; R33-L52 HydrophobicContact CB-CD2 3.95Å; R33-L52 WeakPolarHBondContact CD-O 3.45Å; R33-L52 WeakPolarHBondContact CG-O 3.36Å; R33-L52 PolarHBondContact NH1-O 3.19Å; L34-L52 HydrophobicContact CD2-CD2 4.13Å
53K94.7Very high90.7Very high185 Ų18574.1 Ų74.180%0.80439%0.388SS*.THydrogen-bonded Turntrans-104.6-38.7177.2-173.2176.2-179.6179.40112.8N51N51-K53 PolarHBondContact O-N 2.96Å; N51-K53 WeakPolarHBondContact OD1-CA 3.37Å; N51-K53 WeakPolarHBondContact OD1-CB 3.16Å; N51-K53 PolarHBondContact OD1-N 2.91Å
54T93.6Very high90.8Very high103 Ų10372.8 Ų72.863%0.63238%0.38SS*.THydrogen-bonded Turntrans-117.21.2-169.465.30000114.7N51N51-T54 VanDerWaalsContact CB-OG1 3.32Å; N51-T54 WeakPolarHBondContact CB-OG1 3.39Å; N51-T54 PolarHBondContact ND2-OG1 2.93Å; N51-T54 PolarHBondContact O-N 3.01Å; N51-T54 PolarHBondContact OD1-N 3Å; N51-T54 PolarHBondContact OD1-OG1 2.84Å
55G92.9Very high90.8Very high13 Ų1374.3 Ų74.313%0.13439%0.389CS..BIsolated β-bridgetrans77.6-155.3-177.700000113.5N51N51-G55 WeakPolarHBondContact CB-O 3.19Å; N51-G55 PolarHBondContact N-O 3.28Å; N51-G55 WeakPolarHBondContact O-CA 3Å; N51-G55 PolarHBondContact O-N 2.8Å
56V91Very high90.8Very high38 Ų3874.3 Ų74.323%0.2339%0.389CS..SBendtrans-80.5124.9-178-178.60000110.3P36 Y47 V50P36-V56 HydrophobicContact CB-CG2 4.5Å; P36-V56 WeakPolarHBondContact O-CG2 3.49Å; Y47-V56 HydrophobicContact CD1-CG1 3.68Å; Y47-V56 HydrophobicContact CD2-CG1 3.95Å; Y47-V56 HydrophobicContact CD2-CG2 4.06Å; Y47-V56 HydrophobicContact CE1-CG1 3.87Å; Y47-V56 HydrophobicContact CE2-CG1 4.17Å; Y47-V56 HydrophobicContact CG-CG1 3.72Å; Y47-V56 HydrophobicContact CG-CG2 4.17Å; V50-V56 HydrophobicContact CB-CG2 4.35Å; V50-V56 HydrophobicContact CG2-CG2 4.08Å
57P86.9Confident90.7Very high74 Ų7474.4 Ų74.448%0.48139%0.39SS..  trans-64148.3174.1-20.532.8000112.6D59 G60P57-D59 VanDerWaalsContact C-N 3.3Å; P57-D59 PolarHBondContact O-N 3.03Å; P57-G60 PolarHBondContact O-N 2.9Å; P57-G60 VanDerWaalsContact O-N 3.07Å
58Q80.1Confident90.6Very high202 Ų20274.9 Ų74.994%0.94441%0.406SS*.THydrogen-bonded Turntrans-61.2-36.3178.6-71.6-174.5-1900113G60Q58-G60 PolarHBondContact O-N 2.58Å
59D80.6Confident90.6Very high163 Ų16372.3 Ų72.387%0.87239%0.39SS*.THydrogen-bonded Turntrans-89.729.6176.2-56.5-39.9000112.3P57P57-D59 VanDerWaalsContact C-N 3.3Å; P57-D59 PolarHBondContact O-N 3.03Å
60G78.1Confident90.7Very high22 Ų2263.2 Ų63.223%0.22736%0.356CS..  trans-64.5154.2-179.500000113.2P57 Q58 N62P57-G60 PolarHBondContact O-N 2.9Å; P57-G60 VanDerWaalsContact O-N 3.07Å; Q58-G60 PolarHBondContact O-N 2.58Å; G60-N62 PolarHBondContact O-N 3.22Å
61V86.9Confident90.8Very high78 Ų7862.5 Ų62.547%0.47335%0.353SS..  trans-73.7121.6174178.80000108.9P48 E63P48-V61 VanDerWaalsContact CD-O 3.26Å; P48-V61 WeakPolarHBondContact CD-O 3.35Å; P48-V61 HydrophobicContact CG-CB 4.37Å; P48-V61 WeakPolarHBondContact CG-O 3.35Å; V61-E63 VanDerWaalsContact C-N 3.25Å; V61-E63 HydrophobicContact CG1-CB 3.95Å; V61-E63 PolarHBondContact O-N 3.24Å
62N89.9Confident90.9Very high60 Ų6061.3 Ų61.332%0.32135%0.346SS..  trans-86.77.5179.6-69.5-29.9000113.4Y47 G60 N116 I117Y47-N62 WeakPolarHBondContact CE1-OD1 3.22Å; G60-N62 PolarHBondContact O-N 3.22Å; N62-N116 CarbonylContact O-C 3.57Å; N62-N116 WeakPolarHBondContact O-CA 3.44Å; N62-I117 HydrophobicContact CB-CD1 4.37Å; N62-I117 HydrophobicContact CB-CG1 4.14Å; N62-I117 WeakPolarHBondContact O-CG1 3.46Å; N62-I117 PolarHBondContact O-N 3.1Å
63E91.5Very high90.9Very high95 Ų9557.3 Ų57.344%0.44433%0.325SS..EExtended strand (participates in β ladder)trans-108.8126.6-176.2-71.1179.9171.900110.4P48 V61 V114 I115P48-E63 WeakPolarHBondContact CG-O 3.32Å; V61-E63 VanDerWaalsContact C-N 3.25Å; V61-E63 HydrophobicContact CG1-CB 3.95Å; V61-E63 PolarHBondContact O-N 3.24Å; E63-V114 HydrophobicContact CB-CG1 3.8Å; E63-V114 HydrophobicContact CG-CG1 3.87Å; E63-I115 VanDerWaalsContact CA-O 3.31Å; E63-I115 WeakPolarHBondContact CA-O 3.47Å
64T92.6Very high91.1Very high10 Ų1048.6 Ų48.66%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-132.7177.1176.5-166.70000110.7I45 A69 V114 I115 I117I45-T64 HydrophobicContact CG2-CG2 3.62Å; T64-A69 HydrophobicContact CG2-CB 4.05Å; T64-V114 CarbonylContact O-C 3.52Å; T64-V114 WeakPolarHBondContact O-CA 3.37Å; T64-I115 HydrophobicContact CG2-CG2 3.57Å; T64-I115 PolarHBondContact N-O 2.82Å; T64-I115 WeakPolarHBondContact O-CG2 3.18Å; T64-I115 PolarHBondContact O-N 2.89Å; T64-I117 HydrophobicContact CG2-CG2 3.56Å
65C93.2Very high91.2Very high36 Ų3646.7 Ų46.724%0.24327%0.271CS..  trans-115.2162.2174.263.80000110.9A67 G68 A69 G112C65-A67 PolarHBondContact O-N 2.89Å; C65-G68 PolarHBondContact O-N 2.79Å; C65-G68 PolarHBondContact SG-N 3.16Å; C65-A69 WeakPolarHBondContact O-CB 3.43Å; C65-A69 PolarHBondContact O-N 3.26Å; C65-G112 WeakPolarHBondContact CA-O 3.36Å; C65-G112 VanDerWaalsContact CB-O 3.24Å; C65-G112 WeakPolarHBondContact CB-O 3.29Å
66T93.7Very high91.4Very high0 Ų046.4 Ų46.40%027%0.266CS..Hα-helixtrans-62.5-44.1-175.7-59.80000112G70 L99 L110 A111 G112 W122 G132 F136T66-G70 PolarHBondContact O-N 3.23Å; T66-L99 HydrophobicContact CG2-CD1 4.41Å; T66-L110 HydrophobicContact CG2-CD1 4.36Å; T66-A111 PolarHBondContact OG1-O 3.16Å; T66-G112 PolarHBondContact N-O 3.47Å; T66-W122 VanDerWaalsContact OG1-CH2 3.26Å; T66-W122 WeakPolarHBondContact OG1-CH2 3.4Å; T66-W122 WeakPolarHBondContact OG1-CZ3 3.47Å; T66-G132 WeakPolarHBondContact CB-O 3.43Å; T66-G132 PolarHBondContact N-O 3.5Å; T66-G132 VanDerWaalsContact N-O 3.15Å; T66-F136 HydrophobicContact CG2-CB 3.86Å; T66-F136 HydrophobicContact CG2-CD1 4Å; T66-F136 HydrophobicContact CG2-CD2 3.85Å; T66-F136 HydrophobicContact CG2-CE2 4.41Å; T66-F136 HydrophobicContact CG2-CG 3.62Å
67A93.9Very high91.7Very high8 Ų844.6 Ų44.67%0.06626%0.255CS..Hα-helixtrans-61.3-50174.100000111.6C65 A69 G70 S71 G132 D134 S135C65-A67 PolarHBondContact O-N 2.89Å; A67-A69 VanDerWaalsContact C-N 3.29Å; A67-A69 PolarHBondContact O-N 2.87Å; A67-G70 PolarHBondContact O-N 3.11Å; A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 2.89Å; A67-S71 PolarHBondContact O-OG 3.27Å; A67-G132 VanDerWaalsContact CB-C 3.45Å; A67-G132 WeakPolarHBondContact CB-O 3.39Å; A67-G132 PolarHBondContact N-O 3.45Å; A67-D134 WeakPolarHBondContact CB-OD1 3.39Å; A67-S135 WeakPolarHBondContact CB-OG 3.35Å
68G92.7Very high92.1Very high46 Ų4641.7 Ų41.747%0.47424%0.236SC..Hα-helixtrans-61.8-35-177.600000113.6C65C65-G68 PolarHBondContact O-N 2.79Å; C65-G68 PolarHBondContact SG-N 3.16Å
69A93.7Very high92.9Very high2 Ų232.7 Ų32.72%0.01719%0.194CC..Hα-helixtrans-85.5-29.4178.500000114.4I45 P46 T64 C65 A67 L99I45-A69 HydrophobicContact CG2-CB 3.6Å; P46-A69 HydrophobicContact CG-CB 4.06Å; T64-A69 HydrophobicContact CG2-CB 4.05Å; C65-A69 WeakPolarHBondContact O-CB 3.43Å; C65-A69 PolarHBondContact O-N 3.26Å; A67-A69 VanDerWaalsContact C-N 3.29Å; A67-A69 PolarHBondContact O-N 2.87Å; A69-L99 HydrophobicContact CB-CD1 3.85Å; A69-L99 HydrophobicContact CB-CD2 4.41Å; A69-L99 HydrophobicContact CB-CG 4.5Å
70G94.2Very high93.6Very high2 Ų224.9 Ų24.92%0.02115%0.152CC..Hα-helixtrans-103.6-7.9-172.400000116.1T66 A67 L72T66-G70 PolarHBondContact O-N 3.23Å; A67-G70 PolarHBondContact O-N 3.11Å; G70-L72 VanDerWaalsContact C-N 3.31Å; G70-L72 PolarHBondContact O-N 2.88Å
71S96.5Very high94.4Very high18 Ų1824.1 Ų24.113%0.12614%0.142CC..THydrogen-bonded Turntrans-96.236.1-174.7-44.80000113.5A67 S135 Y139A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 2.89Å; A67-S71 PolarHBondContact O-OG 3.27Å; S71-S135 WeakPolarHBondContact CB-OG 3.24Å; S71-S135 WeakPolarHBondContact OG-CB 3.24Å; S71-S135 PolarHBondContact OG-OG 3.43Å; S71-Y139 VanDerWaalsContact C-CD2 3.5Å; S71-Y139 VanDerWaalsContact CA-CD2 3.47Å; S71-Y139 WeakPolarHBondContact O-CE2 3.47Å
72L96.4Very high94.7Very high47 Ų4722.5 Ų22.525%0.24613%0.131CC..THydrogen-bonded Turntrans-111.9-10.4174.1-66.6172.4000112.4F38 G70 V74 E75 F76F38-L72 HydrophobicContact CE2-CD1 4.2Å; F38-L72 HydrophobicContact CZ-CD1 3.63Å; G70-L72 VanDerWaalsContact C-N 3.31Å; G70-L72 PolarHBondContact O-N 2.88Å; L72-V74 VanDerWaalsContact C-N 3.32Å; L72-V74 PolarHBondContact O-N 2.94Å; L72-E75 PolarHBondContact O-N 3.28Å; L72-F76 HydrophobicContact CB-CD1 4.47Å; L72-F76 HydrophobicContact CB-CG 4.49Å; L72-F76 HydrophobicContact CD2-CE1 4.45Å; L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.44Å; L72-F76 PolarHBondContact O-N 3.13Å
73L96.6Very high94.9Very high2 Ų222.3 Ų22.31%0.0113%0.129CC..Hα-helixtrans-60.6-37.7-171.9179.658.8000113.2G77 A92 R93 V96L73-G77 WeakPolarHBondContact O-CA 3.22Å; L73-G77 PolarHBondContact O-N 3.11Å; L73-A92 HydrophobicContact CB-CB 4.41Å; L73-A92 HydrophobicContact CD1-CB 4.17Å; L73-R93 HydrophobicContact CD1-CB 4.49Å; L73-R93 HydrophobicContact CD1-CG 3.45Å; L73-R93 VanDerWaalsContact CD1-CG 3.45Å; L73-V96 HydrophobicContact CB-CG2 4.31Å; L73-V96 HydrophobicContact CD2-CG2 4.26Å
74V97.1Very high95Very high2 Ų219.1 Ų19.11%0.01212%0.122CC..Hα-helixtrans-69.6-52.1-179.1172.60000110.6L72 G77 I78 Y139 K142 L146 T342L72-V74 VanDerWaalsContact C-N 3.32Å; L72-V74 PolarHBondContact O-N 2.94Å; V74-G77 PolarHBondContact O-N 3.4Å; V74-I78 HydrophobicContact CG1-CD1 3.69Å; V74-I78 WeakPolarHBondContact O-CB 3.31Å; V74-I78 WeakPolarHBondContact O-CD1 2.99Å; V74-I78 WeakPolarHBondContact O-CG1 3.49Å; V74-I78 PolarHBondContact O-N 3.33Å; V74-Y139 HydrophobicContact CB-CD2 3.97Å; V74-Y139 HydrophobicContact CB-CE2 3.64Å; V74-Y139 HydrophobicContact CG2-CD1 4.13Å; V74-Y139 HydrophobicContact CG2-CD2 3.63Å; V74-Y139 HydrophobicContact CG2-CE1 4.22Å; V74-Y139 HydrophobicContact CG2-CE2 3.78Å; V74-Y139 HydrophobicContact CG2-CG 3.82Å; V74-K142 HydrophobicContact CG2-CB 4.39Å; V74-L146 HydrophobicContact CG1-CD1 3.61Å; V74-L146 HydrophobicContact CG2-CD1 4.39Å; V74-T342 HydrophobicContact CG1-CG2 4.02Å
75E97.4Very high95Very high62 Ų6221.5 Ų21.529%0.2913%0.134SC..Hα-helixtrans-66.9-46.3-177.4-66.270.7-15700111.5L72 I78 L79 Y139 T342L72-E75 PolarHBondContact O-N 3.28Å; E75-I78 PolarHBondContact O-N 3Å; E75-L79 WeakPolarHBondContact O-CB 3.34Å; E75-L79 PolarHBondContact O-N 3.08Å; E75-Y139 PolarHBondContact OE1-OH 2.9Å; E75-Y139 VanDerWaalsContact OE2-CE2 3.23Å; E75-Y139 WeakPolarHBondContact OE2-CE2 3.27Å; E75-Y139 PolarHBondContact OE2-OH 3.25Å; E75-T342 WeakPolarHBondContact OE1-CG2 3.27Å
76F97.4Very high95.1Very high8 Ų821.9 Ų21.94%0.03514%0.137CC..Hα-helixtrans-68.5-38.3179.8-82.627.6000111.2A31 L34 F38 L72 L79 S80 F88 V91 A92A31-F76 HydrophobicContact CB-CE1 4.29Å; L34-F76 HydrophobicContact CB-CZ 4.19Å; L34-F76 HydrophobicContact CD1-CE1 4.28Å; L34-F76 HydrophobicContact CD1-CZ 4.25Å; F38-F76 AromaticContact CE2-CE2 3.81Å; F38-F76 HydrophobicContact CE2-CE2 3.81Å; F38-F76 HydrophobicContact CE2-CZ 4.32Å; F38-F76 HydrophobicContact CZ-CE2 4.05Å; L72-F76 HydrophobicContact CB-CD1 4.47Å; L72-F76 HydrophobicContact CB-CG 4.49Å; L72-F76 HydrophobicContact CD2-CE1 4.45Å; L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.44Å; L72-F76 PolarHBondContact O-N 3.13Å; F76-L79 PolarHBondContact O-N 3.38Å; F76-S80 WeakPolarHBondContact O-CB 3.47Å; F76-S80 PolarHBondContact O-N 2.63Å; F76-S80 PolarHBondContact O-OG 3.4Å; F76-F88 HydrophobicContact CB-CB 3.8Å; F76-F88 HydrophobicContact CD2-CB 3.8Å; F76-F88 HydrophobicContact CD2-CD1 4.4Å; F76-F88 WeakPolarHBondContact CD2-O 3.22Å; F76-F88 HydrophobicContact CE2-CD1 4.36Å; F76-F88 HydrophobicContact CG-CB 3.89Å; F76-V91 HydrophobicContact CD2-CG2 3.86Å; F76-V91 HydrophobicContact CE2-CG2 3.93Å; F76-A92 HydrophobicContact CB-CB 3.99Å; F76-A92 HydrophobicContact CD2-CB 4.16Å; F76-A92 HydrophobicContact CG-CB 4.41Å
77G96.1Very high95.2Very high0 Ų024.6 Ų24.60%015%0.154CC..Hα-helixtrans-62.3-47.3173.100000112.1L73 V74 L79 S80 R81L73-G77 WeakPolarHBondContact O-CA 3.22Å; L73-G77 PolarHBondContact O-N 3.11Å; V74-G77 PolarHBondContact O-N 3.4Å; G77-L79 PolarHBondContact O-N 3.29Å; G77-S80 PolarHBondContact O-N 2.68Å; G77-R81 WeakPolarHBondContact O-CG 3.44Å; G77-R81 PolarHBondContact O-N 3.03Å
78I95.8Very high95.3Very high13 Ų1324.3 Ų24.37%0.06715%0.151CC..Hα-helixtrans-59-48.3175.7-72.5163.6000110.5I2 V74 E75 R81 L82 L146 F147 V348 F354I2-I78 HydrophobicContact CD1-CG2 3.6Å; V74-I78 HydrophobicContact CG1-CD1 3.69Å; V74-I78 WeakPolarHBondContact O-CB 3.31Å; V74-I78 WeakPolarHBondContact O-CD1 2.99Å; V74-I78 WeakPolarHBondContact O-CG1 3.49Å; V74-I78 PolarHBondContact O-N 3.33Å; E75-I78 PolarHBondContact O-N 3Å; I78-R81 PolarHBondContact O-N 3.39Å; I78-L82 HydrophobicContact CG2-CD1 3.81Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.26Å; I78-L82 PolarHBondContact O-N 3.18Å; I78-L146 HydrophobicContact CD1-CD1 4.41Å; I78-F147 HydrophobicContact CG1-CE1 4.19Å; I78-F147 HydrophobicContact CG1-CZ 4.12Å; I78-V348 HydrophobicContact CD1-CB 4.31Å; I78-V348 HydrophobicContact CD1-CG1 3.6Å; I78-V348 HydrophobicContact CD1-CG2 3.73Å; I78-V348 HydrophobicContact CG1-CG1 4.33Å; I78-F354 HydrophobicContact CG1-CE1 4.47Å; I78-F354 HydrophobicContact CG2-CE1 4Å; I78-F354 HydrophobicContact CG2-CZ 4.22Å
79L96.6Very high95.4Very high12 Ų1222.3 Ų22.36%0.06313%0.13CC..Hα-helixtrans-58.6-51.3179.917963.9000111.1L24 H28 A31 E75 F76 G77 R81 L82 I83 F88L24-L79 HydrophobicContact CD1-CD1 3.78Å; H28-L79 HydrophobicContact CB-CD1 4.26Å; A31-L79 HydrophobicContact CB-CD2 3.25Å; E75-L79 WeakPolarHBondContact O-CB 3.34Å; E75-L79 PolarHBondContact O-N 3.08Å; F76-L79 PolarHBondContact O-N 3.38Å; G77-L79 PolarHBondContact O-N 3.29Å; L79-R81 VanDerWaalsContact C-N 3.29Å; L79-R81 PolarHBondContact O-N 3.48Å; L79-L82 PolarHBondContact O-N 3.01Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L79-I83 HydrophobicContact CD1-CD1 4.39Å; L79-I83 HydrophobicContact CD1-CG2 4Å; L79-I83 HydrophobicContact CG-CD1 4.09Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 2.89Å; L79-F88 HydrophobicContact CD2-CD1 4.21Å; L79-F88 HydrophobicContact CD2-CD2 4.07Å; L79-F88 HydrophobicContact CD2-CE1 4.38Å; L79-F88 HydrophobicContact CD2-CE2 4.26Å; L79-F88 HydrophobicContact CD2-CG 4.05Å; L79-F88 HydrophobicContact CD2-CZ 4.39Å; L79-F88 HydrophobicContact CG-CD2 4.36Å
80S96.3Very high95.5Very high0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-53.2-45176.7-85.30000112.6F76 G77 G84 D85 F88 E89 W359F76-S80 WeakPolarHBondContact O-CB 3.47Å; F76-S80 PolarHBondContact O-N 2.63Å; F76-S80 PolarHBondContact O-OG 3.4Å; G77-S80 PolarHBondContact O-N 2.68Å; S80-G84 WeakPolarHBondContact O-CA 3.34Å; S80-G84 PolarHBondContact O-N 2.97Å; S80-D85 WeakPolarHBondContact CA-O 3.45Å; S80-D85 WeakPolarHBondContact CB-O 3.12Å; S80-D85 PolarHBondContact O-N 2.83Å; S80-D85 PolarHBondContact OG-O 3.37Å; S80-F88 WeakPolarHBondContact OG-CB 3.35Å; S80-F88 PolarHBondContact OG-N 2.86Å; S80-E89 PolarHBondContact OG-N 3.38Å; S80-W359 WeakPolarHBondContact O-CZ3 3.33Å
81R94.1Very high95.6Very high6 Ų628.9 Ų28.92%0.02315%0.154CC..Hα-helixtrans-69.9-31.5179.5-62.8-70.3171.212911113.2G77 I78 L79 E89 F147 E149 F354 R355 E356 W359G77-R81 WeakPolarHBondContact O-CG 3.44Å; G77-R81 PolarHBondContact O-N 3.03Å; I78-R81 PolarHBondContact O-N 3.39Å; L79-R81 VanDerWaalsContact C-N 3.29Å; L79-R81 PolarHBondContact O-N 3.48Å; R81-E89 IonicContact CZ-OE2 3.51Å; R81-E89 IonicContact NE-OE2 2.88Å; R81-E89 PolarHBondContact NE-OE2 3.47Å; R81-E89 IonicContact NH2-OE1 3.45Å; R81-E89 PolarHBondContact NH2-OE1 3.43Å; R81-E89 VanDerWaalsContact NH2-OE1 3.11Å; R81-E89 IonicContact NH2-OE2 2.67Å; R81-E89 PolarHBondContact NH2-OE2 3.43Å; R81-F147 HydrophobicContact CG-CE1 4.5Å; R81-E149 IonicContact NH2-OE1 3.24Å; R81-F354 HydrophobicContact CB-CD1 3.89Å; R81-F354 HydrophobicContact CG-CD1 4.47Å; R81-F354 PolarHBondContact NH1-O 2.94Å; R81-R355 PolarHBondContact NH1-O 3.18Å; R81-E356 PolarHBondContact NH1-O 3.29Å; R81-W359 VanDerWaalsContact CD-CH2 3.46Å; R81-W359 HydrophobicContact CG-CH2 4.09Å
82L93.9Very high95.6Very high44 Ų4428.1 Ų28.123%0.2315%0.15CC..Hα-helixtrans-73.9-39.2177.5-70.8174.3000112.4I2 L24 I78 L79 F354I2-L82 HydrophobicContact CD1-CD1 4.21Å; I2-L82 HydrophobicContact CG1-CD1 4.01Å; L24-L82 HydrophobicContact CD1-CB 4.16Å; L24-L82 HydrophobicContact CD1-CD1 3.96Å; L24-L82 HydrophobicContact CD2-CB 4.44Å; I78-L82 HydrophobicContact CG2-CD1 3.81Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.26Å; I78-L82 PolarHBondContact O-N 3.18Å; L79-L82 PolarHBondContact O-N 3.01Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L82-F354 HydrophobicContact CD2-CE1 3.96Å; L82-F354 HydrophobicContact CD2-CZ 4.33Å; L82-F354 HydrophobicContact CG-CE1 4.1Å
83I93.9Very high95.6Very high56 Ų5626.8 Ų26.829%0.28714%0.141SC..Hα-helixtrans-94.1-17.3-176.471.4-171000113.5L24 L79 D85 F88L24-I83 HydrophobicContact CD1-CG2 4.2Å; L24-I83 HydrophobicContact CD2-CG2 4.33Å; L24-I83 HydrophobicContact CG-CG2 4.37Å; L79-I83 HydrophobicContact CD1-CD1 4.39Å; L79-I83 HydrophobicContact CD1-CG2 4Å; L79-I83 HydrophobicContact CG-CD1 4.09Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 2.89Å; I83-D85 HydrophobicContact CD1-CB 3.77Å; I83-D85 HydrophobicContact CG1-CB 3.76Å; I83-F88 HydrophobicContact CD1-CD2 3.79Å; I83-F88 HydrophobicContact CD1-CE2 3.47Å; I83-F88 VanDerWaalsContact CD1-CE2 3.47Å
84G92.7Very high95.6Very high28 Ų2830.4 Ų30.429%0.28916%0.155SC..THydrogen-bonded Turntrans8119-176.600000114.9S80S80-G84 WeakPolarHBondContact O-CA 3.34Å; S80-G84 PolarHBondContact O-N 2.97Å
85D93.6Very high95.5Very high59 Ų5930.3 Ų30.332%0.31615%0.154SC..  trans-112.9117.8179.3-179.8-3.1000110.8S80 I83 T87S80-D85 WeakPolarHBondContact CA-O 3.45Å; S80-D85 WeakPolarHBondContact CB-O 3.12Å; S80-D85 PolarHBondContact O-N 2.83Å; S80-D85 PolarHBondContact OG-O 3.37Å; I83-D85 HydrophobicContact CD1-CB 3.77Å; I83-D85 HydrophobicContact CG1-CB 3.76Å; D85-T87 PolarHBondContact O-N 3.22Å; D85-T87 VanDerWaalsContact OD1-CB 3.24Å; D85-T87 WeakPolarHBondContact OD1-CB 3.29Å; D85-T87 PolarHBondContact OD1-N 3.45Å; D85-T87 PolarHBondContact OD1-OG1 3.39Å
86S94.9Very high95.5Very high45 Ų4527.5 Ų27.532%0.31514%0.141SC..THydrogen-bonded Turntrans-68.2-14.6-178.666.80000115.2F88 E89 W90S86-F88 PolarHBondContact O-N 2.88Å; S86-E89 PolarHBondContact O-N 3.08Å; S86-W90 WeakPolarHBondContact O-CB 3.27Å; S86-W90 PolarHBondContact O-N 3.12Å
87T94.9Very high95.5Very high56 Ų5631.9 Ų31.934%0.34416%0.158SC..Hα-helixtrans-55.7-48.4-168-60.40000112.4L35 D85 W90 V91L35-T87 HydrophobicContact CD1-CG2 4.16Å; L35-T87 HydrophobicContact CD2-CG2 4.38Å; D85-T87 PolarHBondContact O-N 3.22Å; D85-T87 VanDerWaalsContact OD1-CB 3.24Å; D85-T87 WeakPolarHBondContact OD1-CB 3.29Å; D85-T87 PolarHBondContact OD1-N 3.45Å; D85-T87 PolarHBondContact OD1-OG1 3.39Å; T87-W90 PolarHBondContact O-N 3.36Å; T87-V91 WeakPolarHBondContact O-CG1 3.3Å; T87-V91 WeakPolarHBondContact O-CG2 3.49Å; T87-V91 PolarHBondContact O-N 3.32Å
88F96.5Very high95.4Very high2 Ų232.6 Ų32.61%0.00916%0.163CC..Hα-helixtrans-67.7-50.6-177.2-51.9-80.4000111.7H28 A31 V32 L35 F76 L79 S80 I83 S86 W90 V91 A92H28-F88 AromaticContact CD2-CE2 3.84Å; H28-F88 AromaticContact CD2-CZ 3.81Å; H28-F88 AromaticContact NE2-CE2 3.94Å; H28-F88 AromaticContact NE2-CZ 3.82Å; A31-F88 HydrophobicContact CB-CD1 3.71Å; A31-F88 HydrophobicContact CB-CE1 3.5Å; A31-F88 VanDerWaalsContact CB-CE1 3.5Å; A31-F88 HydrophobicContact CB-CZ 4.25Å; V32-F88 HydrophobicContact CG2-CE1 4.24Å; V32-F88 HydrophobicContact CG2-CZ 3.82Å; L35-F88 HydrophobicContact CD1-CE1 3.88Å; L35-F88 HydrophobicContact CD1-CZ 4.43Å; L35-F88 HydrophobicContact CD2-CD1 3.84Å; L35-F88 HydrophobicContact CD2-CE1 3.99Å; L35-F88 HydrophobicContact CG-CD1 4.34Å; L35-F88 HydrophobicContact CG-CE1 3.97Å; F76-F88 HydrophobicContact CB-CB 3.8Å; F76-F88 HydrophobicContact CD2-CB 3.8Å; F76-F88 HydrophobicContact CD2-CD1 4.4Å; F76-F88 WeakPolarHBondContact CD2-O 3.22Å; F76-F88 HydrophobicContact CE2-CD1 4.36Å; F76-F88 HydrophobicContact CG-CB 3.89Å; L79-F88 HydrophobicContact CD2-CD1 4.21Å; L79-F88 HydrophobicContact CD2-CD2 4.07Å; L79-F88 HydrophobicContact CD2-CE1 4.38Å; L79-F88 HydrophobicContact CD2-CE2 4.26Å; L79-F88 HydrophobicContact CD2-CG 4.05Å; L79-F88 HydrophobicContact CD2-CZ 4.39Å; L79-F88 HydrophobicContact CG-CD2 4.36Å; S80-F88 WeakPolarHBondContact OG-CB 3.35Å; S80-F88 PolarHBondContact OG-N 2.86Å; I83-F88 HydrophobicContact CD1-CD2 3.79Å; I83-F88 HydrophobicContact CD1-CE2 3.47Å; I83-F88 VanDerWaalsContact CD1-CE2 3.47Å; S86-F88 PolarHBondContact O-N 2.88Å; F88-W90 VanDerWaalsContact C-N 3.26Å; F88-W90 PolarHBondContact O-N 3.25Å; F88-V91 WeakPolarHBondContact O-CG2 3.41Å; F88-V91 PolarHBondContact O-N 3.5Å; F88-A92 PolarHBondContact O-N 2.9Å; F88-A92 VanDerWaalsContact O-N 3.12Å
89E95.9Very high95.4Very high5 Ų532 Ų322%0.02316%0.16CC..Hα-helixtrans-58.3-41.3176.2-168.7174.2158.200111.1S80 R81 S86 A92 R93 W359S80-E89 PolarHBondContact OG-N 3.38Å; R81-E89 IonicContact CZ-OE2 3.51Å; R81-E89 IonicContact NE-OE2 2.88Å; R81-E89 PolarHBondContact NE-OE2 3.47Å; R81-E89 IonicContact NH2-OE1 3.45Å; R81-E89 PolarHBondContact NH2-OE1 3.43Å; R81-E89 VanDerWaalsContact NH2-OE1 3.11Å; R81-E89 IonicContact NH2-OE2 2.67Å; R81-E89 PolarHBondContact NH2-OE2 3.43Å; S86-E89 PolarHBondContact O-N 3.08Å; E89-A92 PolarHBondContact O-N 3.31Å; E89-R93 HydrophobicContact CG-CG 4.37Å; E89-R93 WeakPolarHBondContact O-CB 3.32Å; E89-R93 VanDerWaalsContact O-CG 3.32Å; E89-R93 WeakPolarHBondContact O-CG 3.4Å; E89-R93 PolarHBondContact O-N 2.93Å; E89-R93 IonicContact OE1-CZ 3.13Å; E89-R93 IonicContact OE1-NE 3.36Å; E89-R93 PolarHBondContact OE1-NE 2.94Å; E89-R93 IonicContact OE1-NH2 3.08Å; E89-R93 PolarHBondContact OE1-NH2 3.4Å; E89-W359 HydrophobicContact CB-CZ2 4.46Å; E89-W359 VanDerWaalsContact OE2-CZ2 3.29Å; E89-W359 WeakPolarHBondContact OE2-CZ2 3.28Å
90W95.4Very high95.3Very high130 Ų13032.8 Ų32.849%0.49216%0.163SC..Hα-helixtrans-63.7-48.2-179.9-179.589.6000112.6S86 T87 F88 A92 R93 R94S86-W90 WeakPolarHBondContact O-CB 3.27Å; S86-W90 PolarHBondContact O-N 3.12Å; T87-W90 PolarHBondContact O-N 3.36Å; F88-W90 VanDerWaalsContact C-N 3.26Å; F88-W90 PolarHBondContact O-N 3.25Å; W90-A92 VanDerWaalsContact C-N 3.32Å; W90-A92 PolarHBondContact O-N 3.45Å; W90-R93 PolarHBondContact O-N 3.09Å; W90-R94 WeakPolarHBondContact O-CB 3.48Å; W90-R94 PolarHBondContact O-N 3.38Å
91V96.1Very high95.2Very high11 Ų1138.8 Ų38.87%0.06720%0.195CC..Hα-helixtrans-64.3-38.3179.2-64.10000111.7L35 F38 F76 T87 F88 R94 A95L35-V91 HydrophobicContact CD2-CG2 3.97Å; F38-V91 HydrophobicContact CB-CB 4.36Å; F38-V91 HydrophobicContact CB-CG1 4.47Å; F38-V91 HydrophobicContact CD1-CB 3.89Å; F38-V91 HydrophobicContact CD1-CG2 4.29Å; F38-V91 HydrophobicContact CD2-CG2 4.3Å; F38-V91 HydrophobicContact CE1-CB 4.26Å; F38-V91 HydrophobicContact CE1-CG2 4.3Å; F38-V91 HydrophobicContact CE2-CG2 4.32Å; F38-V91 HydrophobicContact CG-CB 4.03Å; F38-V91 HydrophobicContact CG-CG2 4.27Å; F38-V91 HydrophobicContact CZ-CG2 4.3Å; F76-V91 HydrophobicContact CD2-CG2 3.86Å; F76-V91 HydrophobicContact CE2-CG2 3.93Å; T87-V91 WeakPolarHBondContact O-CG1 3.3Å; T87-V91 WeakPolarHBondContact O-CG2 3.49Å; T87-V91 PolarHBondContact O-N 3.32Å; F88-V91 WeakPolarHBondContact O-CG2 3.41Å; F88-V91 PolarHBondContact O-N 3.5Å; V91-R94 PolarHBondContact O-N 3.32Å; V91-A95 PolarHBondContact O-N 3.33Å
92A96.8Very high95.2Very high3 Ų340.9 Ų40.93%0.02521%0.206CC..Hα-helixtrans-67.9-44.2177.900000111.7L73 F76 F88 E89 W90 R94 A95 V96L73-A92 HydrophobicContact CB-CB 4.41Å; L73-A92 HydrophobicContact CD1-CB 4.17Å; F76-A92 HydrophobicContact CB-CB 3.99Å; F76-A92 HydrophobicContact CD2-CB 4.16Å; F76-A92 HydrophobicContact CG-CB 4.41Å; F88-A92 PolarHBondContact O-N 2.9Å; F88-A92 VanDerWaalsContact O-N 3.12Å; E89-A92 PolarHBondContact O-N 3.31Å; W90-A92 VanDerWaalsContact C-N 3.32Å; W90-A92 PolarHBondContact O-N 3.45Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.02Å; A92-A95 PolarHBondContact O-N 3.43Å; A92-V96 WeakPolarHBondContact O-CG2 3.21Å; A92-V96 PolarHBondContact O-N 3.32Å
93R95.8Very high95.2Very high18 Ų1843 Ų437%0.06821%0.211CC..Hα-helixtrans-62.1-39.2174.3-75.1-172-176.8-66-11.9112.2L73 E89 W90 A95 V96 R97 D152L73-R93 HydrophobicContact CD1-CB 4.49Å; L73-R93 HydrophobicContact CD1-CG 3.45Å; L73-R93 VanDerWaalsContact CD1-CG 3.45Å; E89-R93 HydrophobicContact CG-CG 4.37Å; E89-R93 WeakPolarHBondContact O-CB 3.32Å; E89-R93 VanDerWaalsContact O-CG 3.32Å; E89-R93 WeakPolarHBondContact O-CG 3.4Å; E89-R93 PolarHBondContact O-N 2.93Å; E89-R93 IonicContact OE1-CZ 3.13Å; E89-R93 IonicContact OE1-NE 3.36Å; E89-R93 PolarHBondContact OE1-NE 2.94Å; E89-R93 IonicContact OE1-NH2 3.08Å; E89-R93 PolarHBondContact OE1-NH2 3.4Å; W90-R93 PolarHBondContact O-N 3.09Å; R93-A95 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 3.27Å; R93-V96 PolarHBondContact O-N 3.22Å; R93-R97 WeakPolarHBondContact O-CB 3.5Å; R93-R97 WeakPolarHBondContact O-CG 3.36Å; R93-R97 PolarHBondContact O-N 3.49Å; R93-D152 IonicContact CZ-OD2 2.97Å; R93-D152 IonicContact NH1-OD1 3.56Å; R93-D152 PolarHBondContact NH1-OD1 3.26Å; R93-D152 IonicContact NH1-OD2 3.91Å; R93-D152 PolarHBondContact NH1-OD2 3.19Å; R93-D152 IonicContact NH2-OD2 2.69Å
94R95.9Very high95.2Very high78 Ų7840.5 Ų40.529%0.29420%0.198SC..Hα-helixtrans-60-44.6175.5-171.3-177.571.2173.33111.1F38 W90 V91 A92 R97 A98F38-R94 PolarHBondContact O-NH2 3.32Å; W90-R94 WeakPolarHBondContact O-CB 3.48Å; W90-R94 PolarHBondContact O-N 3.38Å; V91-R94 PolarHBondContact O-N 3.32Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.02Å; R94-R97 PolarHBondContact O-N 3.39Å; R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.28Å
95A96.3Very high95Very high0 Ų046.4 Ų46.40%022%0.223CC..Hα-helixtrans-63.7-44.7176.900000112.3F38 V91 A92 R93 R97 A98 L99F38-A95 HydrophobicContact CE1-CB 4.02Å; V91-A95 PolarHBondContact O-N 3.33Å; A92-A95 PolarHBondContact O-N 3.43Å; R93-A95 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 3.27Å; A95-R97 PolarHBondContact O-N 2.95Å; A95-A98 WeakPolarHBondContact O-CB 3.16Å; A95-A98 PolarHBondContact O-N 3.2Å; A95-L99 WeakPolarHBondContact O-CG 3.32Å; A95-L99 PolarHBondContact O-N 3.24Å
96V96.8Very high94.8Very high4 Ų450 Ų502%0.02424%0.238CC..Hα-helixtrans-61.1-45.5176.61710000111.5L73 A92 R93 A98 L99 W100 F136 L140 M155L73-V96 HydrophobicContact CB-CG2 4.31Å; L73-V96 HydrophobicContact CD2-CG2 4.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.21Å; A92-V96 PolarHBondContact O-N 3.32Å; R93-V96 PolarHBondContact O-N 3.22Å; V96-A98 VanDerWaalsContact C-N 3.35Å; V96-A98 PolarHBondContact O-N 2.9Å; V96-L99 PolarHBondContact O-N 3.11Å; V96-W100 VanDerWaalsContact O-CB 3.29Å; V96-W100 WeakPolarHBondContact O-CB 3.42Å; V96-W100 PolarHBondContact O-N 3.1Å; V96-F136 HydrophobicContact CG1-CE2 4.16Å; V96-F136 HydrophobicContact CG1-CZ 4.45Å; V96-L140 HydrophobicContact CG1-CD2 3.68Å; V96-M155 HydrophobicContact CG1-SD 4.12Å
97R96.3Very high94.7Very high99 Ų9948.3 Ų48.337%0.37423%0.226SC..Hα-helixtrans-63.3-39.5175.6-72.8175.3-176.81544.6112.3R93 R94 A95 W100 N101 E151 M155R93-R97 WeakPolarHBondContact O-CB 3.5Å; R93-R97 WeakPolarHBondContact O-CG 3.36Å; R93-R97 PolarHBondContact O-N 3.49Å; R94-R97 PolarHBondContact O-N 3.39Å; A95-R97 PolarHBondContact O-N 2.95Å; R97-W100 WeakPolarHBondContact O-CB 3.42Å; R97-W100 PolarHBondContact O-N 3.16Å; R97-N101 WeakPolarHBondContact O-CB 3.41Å; R97-N101 PolarHBondContact O-N 2.86Å; R97-N101 PolarHBondContact O-ND2 2.7Å; R97-E151 IonicContact CZ-OE1 3.88Å; R97-E151 IonicContact CZ-OE2 3.1Å; R97-E151 IonicContact NE-OE1 2.83Å; R97-E151 PolarHBondContact NE-OE1 2.7Å; R97-E151 IonicContact NE-OE2 2.61Å; R97-E151 PolarHBondContact NE-OE2 3.04Å; R97-E151 IonicContact NH2-OE1 2.91Å; R97-E151 IonicContact NH2-OE2 2.66Å; R97-E151 PolarHBondContact NH2-OE2 3.39Å; R97-M155 HydrophobicContact CG-CE 3.94Å
98A95.4Very high94.5Very high15 Ų1546.4 Ų46.412%0.12422%0.217CC..Hα-helixtrans-61.8-48.4176.500000111.2T43 I45 R94 A95 V96 W100 N101 L102T43-A98 WeakPolarHBondContact O-CB 3.38Å; I45-A98 HydrophobicContact CD1-CB 4.46Å; I45-A98 HydrophobicContact CG1-CB 3.78Å; R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.28Å; A95-A98 WeakPolarHBondContact O-CB 3.16Å; A95-A98 PolarHBondContact O-N 3.2Å; V96-A98 VanDerWaalsContact C-N 3.35Å; V96-A98 PolarHBondContact O-N 2.9Å; A98-W100 VanDerWaalsContact C-N 3.35Å; A98-W100 PolarHBondContact O-N 3.37Å; A98-N101 PolarHBondContact O-N 3.41Å; A98-L102 WeakPolarHBondContact O-CG 3.46Å; A98-L102 PolarHBondContact O-N 2.81Å
99L95.1Very high94.2Very high0 Ų046.4 Ų46.40%022%0.217CC..Hα-helixtrans-59.2-46.9173.9-70.7168000111.3I45 T66 A69 A95 V96 N101 L102 L110 I115 W122 F136I45-L99 HydrophobicContact CD1-CD2 3.81Å; I45-L99 HydrophobicContact CD1-CG 4.31Å; I45-L99 HydrophobicContact CG1-CD2 4.31Å; I45-L99 HydrophobicContact CG1-CG 4.36Å; T66-L99 HydrophobicContact CG2-CD1 4.41Å; A69-L99 HydrophobicContact CB-CD1 3.85Å; A69-L99 HydrophobicContact CB-CD2 4.41Å; A69-L99 HydrophobicContact CB-CG 4.5Å; A95-L99 WeakPolarHBondContact O-CG 3.32Å; A95-L99 PolarHBondContact O-N 3.24Å; V96-L99 PolarHBondContact O-N 3.11Å; L99-N101 VanDerWaalsContact C-N 3.27Å; L99-N101 PolarHBondContact O-N 2.92Å; L99-L102 PolarHBondContact O-N 2.89Å; L99-L110 WeakPolarHBondContact O-CD2 3.39Å; L99-I115 HydrophobicContact CD2-CD1 4.48Å; L99-W122 HydrophobicContact CD2-CH2 4.34Å; L99-F136 HydrophobicContact CB-CE2 4.08Å; L99-F136 HydrophobicContact CB-CZ 4.45Å; L99-F136 HydrophobicContact CD1-CD2 4.07Å; L99-F136 HydrophobicContact CD1-CE2 3.89Å
100W95.1Very high93.8Very high30 Ų3046.4 Ų46.411%0.11422%0.217CC..Hα-helixtrans-56.1-40.9179.7-175.6-108000112.9V96 R97 A98 L102 R103 L110 M155 A158 A159V96-W100 VanDerWaalsContact O-CB 3.29Å; V96-W100 WeakPolarHBondContact O-CB 3.42Å; V96-W100 PolarHBondContact O-N 3.1Å; R97-W100 WeakPolarHBondContact O-CB 3.42Å; R97-W100 PolarHBondContact O-N 3.16Å; A98-W100 VanDerWaalsContact C-N 3.35Å; A98-W100 PolarHBondContact O-N 3.37Å; W100-L102 PolarHBondContact O-N 2.85Å; W100-R103 VanDerWaalsContact O-CD 3.22Å; W100-R103 WeakPolarHBondContact O-CD 3.17Å; W100-R103 WeakPolarHBondContact O-CG 3.45Å; W100-R103 PolarHBondContact O-N 2.91Å; W100-L110 HydrophobicContact CE3-CD1 4.48Å; W100-M155 HydrophobicContact CB-CE 4.37Å; W100-M155 HydrophobicContact CB-SD 4.12Å; W100-M155 HydrophobicContact CD2-CB 3.97Å; W100-M155 HydrophobicContact CD2-CG 3.68Å; W100-M155 HydrophobicContact CD2-SD 3.97Å; W100-M155 HydrophobicContact CE3-CB 3.92Å; W100-M155 HydrophobicContact CE3-CG 4.14Å; W100-M155 HydrophobicContact CE3-SD 4.43Å; W100-M155 HydrophobicContact CG-CE 4.06Å; W100-M155 HydrophobicContact CG-CG 4.03Å; W100-M155 HydrophobicContact CG-SD 3.82Å; W100-M155 VanDerWaalsContact CH2-CA 3.47Å; W100-M155 HydrophobicContact CH2-CB 3.89Å; W100-M155 HydrophobicContact CH2-CG 4.42Å; W100-M155 WeakPolarHBondContact CH2-O 3.43Å; W100-M155 VanDerWaalsContact CZ2-CA 3.48Å; W100-M155 HydrophobicContact CZ2-CB 3.86Å; W100-M155 HydrophobicContact CZ2-CG 3.91Å; W100-M155 HydrophobicContact CZ3-CB 3.91Å; W100-M155 WeakPolarHBondContact CZ3-O 2.89Å; W100-A158 HydrophobicContact CH2-CB 3.8Å; W100-A158 HydrophobicContact CZ2-CB 3.97Å; W100-A159 HydrophobicContact CH2-CB 4.36Å; W100-A159 HydrophobicContact CZ3-CB 4.08Å
101N94.2Very high93Very high125 Ų12540.2 Ų40.267%0.66819%0.194SC*.Hα-helixtrans-72.1-13179.8-69.7-20.4000113.7R97 A98 L99R97-N101 WeakPolarHBondContact O-CB 3.41Å; R97-N101 PolarHBondContact O-N 2.86Å; R97-N101 PolarHBondContact O-ND2 2.7Å; A98-N101 PolarHBondContact O-N 3.41Å; L99-N101 VanDerWaalsContact C-N 3.27Å; L99-N101 PolarHBondContact O-N 2.92Å
102L93.6Very high91.7Very high50 Ų5039.7 Ų39.726%0.26219%0.191SC..THydrogen-bonded Turntrans-95.44.2-179.2-64.6173000113.5I45 A98 L99 W100 I115 W122I45-L102 HydrophobicContact CD1-CD1 3.71Å; A98-L102 WeakPolarHBondContact O-CG 3.46Å; A98-L102 PolarHBondContact O-N 2.81Å; L99-L102 PolarHBondContact O-N 2.89Å; W100-L102 PolarHBondContact O-N 2.85Å; L102-I115 HydrophobicContact CD1-CD1 3.32Å; L102-W122 HydrophobicContact CB-CZ2 3.94Å; L102-W122 PolarHBondContact O-NE1 3.1Å
103R94.2Very high90.8Very high89 Ų8942.3 Ų42.334%0.33621%0.205SC..SBendtrans-60.6157.5174.266.5-172.8-143-163.55112.5W100 L109 L110W100-R103 VanDerWaalsContact O-CD 3.22Å; W100-R103 WeakPolarHBondContact O-CD 3.17Å; W100-R103 WeakPolarHBondContact O-CG 3.45Å; W100-R103 PolarHBondContact O-N 2.91Å; R103-L109 WeakPolarHBondContact CA-O 3.33Å; R103-L110 HydrophobicContact CB-CD2 3.67Å; R103-L110 HydrophobicContact CB-CG 4.07Å
104S92.8Very high90.4Very high3 Ų343.3 Ų43.32%0.02121%0.213CC..  trans-62.8136.1172.5161.30000110.4E106 T107 G108 L109 M189S104-E106 PolarHBondContact O-N 2.66Å; S104-E106 PolarHBondContact OG-N 2.97Å; S104-E106 VanDerWaalsContact OG-N 3.14Å; S104-E106 PolarHBondContact OG-OE2 3.49Å; S104-T107 WeakPolarHBondContact CB-OG1 3.33Å; S104-T107 PolarHBondContact OG-N 3.15Å; S104-T107 VanDerWaalsContact OG-N 3.16Å; S104-T107 PolarHBondContact OG-OG1 3.39Å; S104-G108 WeakPolarHBondContact O-CA 3.32Å; S104-G108 PolarHBondContact O-N 3.5Å; S104-L109 PolarHBondContact N-O 2.68Å; S104-M189 WeakPolarHBondContact CB-O 3.48Å; S104-M189 PolarHBondContact OG-O 3.21Å
105N89.8Confident90.2Very high152 Ų15239.6 Ų39.681%0.81320%0.199SC*.THydrogen-bonded Turntrans-72.5-23.1175.6-72-26.8000111.8
106E90.1Very high90.1Very high135 Ų13541.3 Ų41.363%0.63121%0.208SC*.THydrogen-bonded Turntrans-85.4-51.6-175.7-57.175.2-165.100111.9S104S104-E106 PolarHBondContact O-N 2.66Å; S104-E106 PolarHBondContact OG-N 2.97Å; S104-E106 VanDerWaalsContact OG-N 3.14Å; S104-E106 PolarHBondContact OG-OE2 3.49Å
107T91.3Very high89.9Confident10 Ų1041.1 Ų41.16%0.06121%0.206CC..THydrogen-bonded Turntrans-101.8-16.9-175.167.40000113.3S104 L109 S162 H166 M189 F190S104-T107 WeakPolarHBondContact CB-OG1 3.33Å; S104-T107 PolarHBondContact OG-N 3.15Å; S104-T107 VanDerWaalsContact OG-N 3.16Å; S104-T107 PolarHBondContact OG-OG1 3.39Å; T107-L109 PolarHBondContact O-N 3.03Å; T107-L109 WeakPolarHBondContact OG1-CB 3.45Å; T107-L109 WeakPolarHBondContact OG1-CG 3.2Å; T107-L109 PolarHBondContact OG1-N 2.86Å; T107-S162 WeakPolarHBondContact O-CB 3.45Å; T107-S162 PolarHBondContact O-OG 3.47Å; T107-H166 PolarHBondContact O-CD2 2.94Å; T107-H166 PolarHBondContact O-NE2 2.88Å; T107-M189 WeakPolarHBondContact CG2-O 3.41Å; T107-M189 PolarHBondContact OG1-O 2.73Å; T107-F190 WeakPolarHBondContact CG2-O 3.4Å
108G90.6Very high89.7Confident15 Ų1538.8 Ų38.816%0.15520%0.2CC..  trans71.63-169.500000114.4S104S104-G108 WeakPolarHBondContact O-CA 3.32Å; S104-G108 PolarHBondContact O-N 3.5Å
109L91.6Very high89.5Confident3 Ų342 Ų422%0.01622%0.218CC..PPolyproline II helixtrans-77.2147-178.6-65.3175000112.4R103 S104 T107 H166 L167 V187 M189R103-L109 WeakPolarHBondContact CA-O 3.33Å; S104-L109 PolarHBondContact N-O 2.68Å; T107-L109 PolarHBondContact O-N 3.03Å; T107-L109 WeakPolarHBondContact OG1-CB 3.45Å; T107-L109 WeakPolarHBondContact OG1-CG 3.2Å; T107-L109 PolarHBondContact OG1-N 2.86Å; L109-H166 HydrophobicContact CD1-CB 3.78Å; L109-H166 HydrophobicContact CD2-CB 4.45Å; L109-H166 HydrophobicContact CG-CB 4.38Å; L109-L167 HydrophobicContact CD1-CD1 3.73Å; L109-L167 HydrophobicContact CD2-CD1 3.5Å; L109-L167 VanDerWaalsContact CD2-CD1 3.5Å; L109-L167 HydrophobicContact CG-CD1 4.28Å; L109-V187 HydrophobicContact CD1-CG2 3.67Å; L109-M189 HydrophobicContact CB-CB 4.4Å
110L85.9Confident89.3Confident4 Ų442.4 Ų42.42%0.02122%0.222CC..PPolyproline II helixtrans-94137.4165.8-70.4165.2000109.1T66 L99 W100 R103 W122 S127 F136T66-L110 HydrophobicContact CG2-CD1 4.36Å; L99-L110 WeakPolarHBondContact O-CD2 3.39Å; W100-L110 HydrophobicContact CE3-CD1 4.48Å; R103-L110 HydrophobicContact CB-CD2 3.67Å; R103-L110 HydrophobicContact CB-CG 4.07Å; L110-W122 HydrophobicContact CD2-CZ2 4.01Å; L110-S127 VanDerWaalsContact O-CB 3.27Å; L110-S127 WeakPolarHBondContact O-CB 3.42Å; L110-S127 PolarHBondContact O-OG 3.27Å; L110-F136 HydrophobicContact CD1-CD1 3.85Å; L110-F136 HydrophobicContact CD1-CE1 3.18Å; L110-F136 HydrophobicContact CD1-CZ 3.69Å
111A79.1Confident89.2Confident0 Ų047.4 Ų47.40%025%0.247CC..PPolyproline II helixtrans-74.4157.4162.900000109.9T66 W122 G124 Q126 M189T66-A111 PolarHBondContact OG1-O 3.16Å; A111-W122 HydrophobicContact CB-CB 4.33Å; A111-W122 HydrophobicContact CB-CD2 3.59Å; A111-W122 HydrophobicContact CB-CE3 3.4Å; A111-W122 VanDerWaalsContact CB-CE3 3.4Å; A111-W122 HydrophobicContact CB-CG 3.99Å; A111-W122 HydrophobicContact CB-CZ3 3.93Å; A111-W122 WeakPolarHBondContact O-CH2 3.29Å; A111-W122 WeakPolarHBondContact O-CZ3 3.23Å; A111-G124 WeakPolarHBondContact CB-O 3.2Å; A111-Q126 WeakPolarHBondContact CA-O 3.35Å; A111-M189 HydrophobicContact CB-CB 4.28Å; A111-M189 HydrophobicContact CB-CE 4.22Å; A111-M189 HydrophobicContact CB-CG 4.25Å; A111-M189 HydrophobicContact CB-SD 3.32Å; A111-M189 WeakPolarHBondContact CB-SD 3.42Å
112G68.9Low89Confident0 Ų042.8 Ų42.80%022%0.22CC..  trans-110-45.3-172.700000116.6C65 T66 Q126 M133C65-G112 WeakPolarHBondContact CA-O 3.36Å; C65-G112 VanDerWaalsContact CB-O 3.24Å; C65-G112 WeakPolarHBondContact CB-O 3.29Å; T66-G112 PolarHBondContact N-O 3.47Å; G112-Q126 PolarHBondContact N-O 3.33Å; G112-M133 VanDerWaalsContact CA-SD 3.54Å
113N77.4Confident88.8Confident59 Ų5944.5 Ų44.532%0.31623%0.232SC..SBendtrans-80.5-39.7-152.2-61.1-1.9000112.3
114V88.8Confident88.5Confident39 Ų3941 Ų4124%0.23622%0.223CC..  trans-152.4119.3-172.8-167.80000111.4E63 T64 V123 G124E63-V114 HydrophobicContact CB-CG1 3.8Å; E63-V114 HydrophobicContact CG-CG1 3.87Å; T64-V114 CarbonylContact O-C 3.52Å; T64-V114 WeakPolarHBondContact O-CA 3.37Å; V114-V123 HydrophobicContact CB-CB 3.99Å; V114-V123 HydrophobicContact CG1-CB 3.77Å; V114-V123 HydrophobicContact CG1-CG1 4.26Å; V114-V123 HydrophobicContact CG1-CG2 4.2Å; V114-V123 PolarHBondContact O-N 3.34Å; V114-G124 PolarHBondContact O-N 2.76Å
115I92.3Very high88.4Confident0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-125139.7170.9-172.8165000110.8I45 E63 T64 L99 L102 W122I45-I115 HydrophobicContact CD1-CD1 3.77Å; E63-I115 VanDerWaalsContact CA-O 3.31Å; E63-I115 WeakPolarHBondContact CA-O 3.47Å; T64-I115 HydrophobicContact CG2-CG2 3.57Å; T64-I115 PolarHBondContact N-O 2.82Å; T64-I115 WeakPolarHBondContact O-CG2 3.18Å; T64-I115 PolarHBondContact O-N 2.89Å; L99-I115 HydrophobicContact CD2-CD1 4.48Å; L102-I115 HydrophobicContact CD1-CD1 3.32Å; I115-W122 HydrophobicContact CB-CD2 4.31Å; I115-W122 HydrophobicContact CB-CE3 3.62Å; I115-W122 HydrophobicContact CB-CH2 4.27Å; I115-W122 HydrophobicContact CB-CZ3 3.6Å; I115-W122 HydrophobicContact CD1-CD2 4.02Å; I115-W122 HydrophobicContact CD1-CE3 4.04Å; I115-W122 HydrophobicContact CD1-CH2 3.73Å; I115-W122 HydrophobicContact CD1-CZ2 3.72Å; I115-W122 HydrophobicContact CD1-CZ3 3.9Å; I115-W122 HydrophobicContact CG1-CD2 4.29Å; I115-W122 HydrophobicContact CG1-CE3 4.08Å; I115-W122 HydrophobicContact CG1-CZ3 4.22Å; I115-W122 HydrophobicContact CG2-CZ3 4.16Å
116N93.2Very high88.6Confident35 Ų3539.8 Ų39.819%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-83.7120171.6-174.2-58.4000110.6N62 Q118 T119 G120 Q121N62-N116 CarbonylContact O-C 3.57Å; N62-N116 WeakPolarHBondContact O-CA 3.44Å; N116-Q118 VanDerWaalsContact C-N 3.27Å; N116-Q118 PolarHBondContact O-N 3.41Å; N116-Q118 PolarHBondContact OD1-N 3.2Å; N116-T119 WeakPolarHBondContact CB-OG1 3.41Å; N116-T119 PolarHBondContact OD1-N 3.27Å; N116-T119 PolarHBondContact OD1-OG1 3.35Å; N116-G120 VanDerWaalsContact O-CA 3.27Å; N116-G120 WeakPolarHBondContact O-CA 3.38Å; N116-G120 PolarHBondContact O-N 2.9Å; N116-Q121 PolarHBondContact N-O 2.51Å
117I92.4Very high88.8Confident0 Ų033.3 Ų33.30%018%0.181CC..THydrogen-bonded Turntrans-70.7-18.6-175.469.7-173.5000114T41 T43 I45 Y47 N62 T64T41-I117 HydrophobicContact CG2-CD1 4.38Å; T43-I117 WeakPolarHBondContact CB-O 3.43Å; T43-I117 WeakPolarHBondContact CG2-O 3.4Å; T43-I117 PolarHBondContact N-O 3.1Å; T43-I117 PolarHBondContact OG1-O 3.33Å; I45-I117 HydrophobicContact CB-CB 4.44Å; I45-I117 HydrophobicContact CB-CG2 4.26Å; I45-I117 HydrophobicContact CG2-CG2 3.82Å; Y47-I117 HydrophobicContact CD1-CD1 3.32Å; Y47-I117 HydrophobicContact CD2-CD1 3.89Å; Y47-I117 HydrophobicContact CE1-CD1 3.41Å; Y47-I117 VanDerWaalsContact CE1-CD1 3.41Å; Y47-I117 HydrophobicContact CE2-CD1 3.93Å; Y47-I117 HydrophobicContact CG-CD1 3.58Å; N62-I117 HydrophobicContact CB-CD1 4.37Å; N62-I117 HydrophobicContact CB-CG1 4.14Å; N62-I117 WeakPolarHBondContact O-CG1 3.46Å; N62-I117 PolarHBondContact O-N 3.1Å; T64-I117 HydrophobicContact CG2-CG2 3.56Å
118Q91.9Very high88.9Confident50 Ų5032.9 Ų32.923%0.23418%0.178CC..THydrogen-bonded Turntrans-92.4-40.7-179.6-61.4-60.8-12.600111.3N40 S42 Y47 N116N40-Q118 PolarHBondContact O-NE2 3.01Å; S42-Q118 WeakPolarHBondContact CB-O 3.48Å; S42-Q118 VanDerWaalsContact N-OE1 3.1Å; S42-Q118 PolarHBondContact OG-OE1 2.99Å; Y47-Q118 PolarHBondContact OH-NE2 3.38Å; N116-Q118 VanDerWaalsContact C-N 3.27Å; N116-Q118 PolarHBondContact O-N 3.41Å; N116-Q118 PolarHBondContact OD1-N 3.2Å
119T92.3Very high89Confident83 Ų8332.2 Ų32.251%0.50917%0.171SC..THydrogen-bonded Turntrans-94-19.2-178.666.70000113.5N116 Q121N116-T119 WeakPolarHBondContact CB-OG1 3.41Å; N116-T119 PolarHBondContact OD1-N 3.27Å; N116-T119 PolarHBondContact OD1-OG1 3.35Å; T119-Q121 PolarHBondContact O-N 3.31Å; T119-Q121 WeakPolarHBondContact OG1-CB 3.25Å; T119-Q121 PolarHBondContact OG1-N 3.35Å
120G91.1Very high89Confident8 Ų832.1 Ų32.18%0.08217%0.171CC..  trans69.69.8-171.200000113.6N116N116-G120 VanDerWaalsContact O-CA 3.27Å; N116-G120 WeakPolarHBondContact O-CA 3.38Å; N116-G120 PolarHBondContact O-N 2.9Å
121Q91.1Very high89.1Confident135 Ų13533.8 Ų33.863%0.63119%0.185SC*.  trans-85.5133.4-178.7-66.9-175-17.200111.5N116 T119 V123N116-Q121 PolarHBondContact N-O 2.51Å; T119-Q121 PolarHBondContact O-N 3.31Å; T119-Q121 WeakPolarHBondContact OG1-CB 3.25Å; T119-Q121 PolarHBondContact OG1-N 3.35Å; Q121-V123 PolarHBondContact O-N 2.81Å
122W90.9Very high89.6Confident29 Ų2934.4 Ų34.411%0.1119%0.192CC..BIsolated β-bridgetrans-72.5116.6171.3-62.2105.9000110.6T66 L99 L102 L110 A111 I115 M189T66-W122 VanDerWaalsContact OG1-CH2 3.26Å; T66-W122 WeakPolarHBondContact OG1-CH2 3.4Å; T66-W122 WeakPolarHBondContact OG1-CZ3 3.47Å; L99-W122 HydrophobicContact CD2-CH2 4.34Å; L102-W122 HydrophobicContact CB-CZ2 3.94Å; L102-W122 PolarHBondContact O-NE1 3.1Å; L110-W122 HydrophobicContact CD2-CZ2 4.01Å; A111-W122 HydrophobicContact CB-CB 4.33Å; A111-W122 HydrophobicContact CB-CD2 3.59Å; A111-W122 HydrophobicContact CB-CE3 3.4Å; A111-W122 VanDerWaalsContact CB-CE3 3.4Å; A111-W122 HydrophobicContact CB-CG 3.99Å; A111-W122 HydrophobicContact CB-CZ3 3.93Å; A111-W122 WeakPolarHBondContact O-CH2 3.29Å; A111-W122 WeakPolarHBondContact O-CZ3 3.23Å; I115-W122 HydrophobicContact CB-CD2 4.31Å; I115-W122 HydrophobicContact CB-CE3 3.62Å; I115-W122 HydrophobicContact CB-CH2 4.27Å; I115-W122 HydrophobicContact CB-CZ3 3.6Å; I115-W122 HydrophobicContact CD1-CD2 4.02Å; I115-W122 HydrophobicContact CD1-CE3 4.04Å; I115-W122 HydrophobicContact CD1-CH2 3.73Å; I115-W122 HydrophobicContact CD1-CZ2 3.72Å; I115-W122 HydrophobicContact CD1-CZ3 3.9Å; I115-W122 HydrophobicContact CG1-CD2 4.29Å; I115-W122 HydrophobicContact CG1-CE3 4.08Å; I115-W122 HydrophobicContact CG1-CZ3 4.22Å; I115-W122 HydrophobicContact CG2-CZ3 4.16Å; W122-M189 HydrophobicContact CB-SD 4.14Å; W122-M189 HydrophobicContact CD2-SD 4.44Å; W122-M189 HydrophobicContact CG-CE 4.29Å; W122-M189 HydrophobicContact CG-SD 3.85Å
123V89.2Confident90.7Very high85 Ų8534.5 Ų34.552%0.51519%0.192SC..SBendtrans-82.3-46.2171.7-1800000109V114 Q121V114-V123 HydrophobicContact CB-CB 3.99Å; V114-V123 HydrophobicContact CG1-CB 3.77Å; V114-V123 HydrophobicContact CG1-CG1 4.26Å; V114-V123 HydrophobicContact CG1-CG2 4.2Å; V114-V123 PolarHBondContact O-N 3.34Å; Q121-V123 PolarHBondContact O-N 2.81Å
124G87.4Confident91.5Very high15 Ų1532.8 Ų32.816%0.15518%0.183CC..  trans-89.3126.1171.100000110.6A111 V114A111-G124 WeakPolarHBondContact CB-O 3.2Å; V114-G124 PolarHBondContact O-N 2.76Å
125K91.2Very high91.8Very high106 Ų10631.5 Ų31.546%0.46118%0.176SC..  trans-1024.2-178.3-58-179.6-178.1179.40113.9M189 F190K125-M189 HydrophobicContact CB-CG 4.46Å; K125-M189 PolarHBondContact O-N 3.15Å; K125-F190 HydrophobicContact CD-CD2 4.27Å; K125-F190 HydrophobicContact CD-CE2 3.97Å; K125-F190 HydrophobicContact CG-CE2 4.1Å
126Q93.4Very high92Very high24 Ų2431.5 Ų31.511%0.11218%0.176CC..EExtended strand (participates in β ladder)trans-75.8129.1178.1-172.8177.3-62.200110A111 G112 N186 M195 N196A111-Q126 WeakPolarHBondContact CA-O 3.35Å; G112-Q126 PolarHBondContact N-O 3.33Å; Q126-N186 HydrophobicContact CG-CB 4.03Å; Q126-M195 HydrophobicContact CB-CE 4.21Å; Q126-M195 HydrophobicContact CB-SD 3.94Å; Q126-M195 HydrophobicContact CG-SD 4.28Å; Q126-N196 VanDerWaalsContact CD-ND2 3.29Å; Q126-N196 PolarHBondContact NE2-ND2 2.88Å; Q126-N196 PolarHBondContact OE1-ND2 3.06Å
127S94.3Very high92.1Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-114.9153.5169.4-166.20000109.6L110 N186 V187L110-S127 VanDerWaalsContact O-CB 3.27Å; L110-S127 WeakPolarHBondContact O-CB 3.42Å; L110-S127 PolarHBondContact O-OG 3.27Å; S127-N186 CarbonylContact O-C 3.57Å; S127-N186 VanDerWaalsContact O-CA 3.31Å; S127-N186 WeakPolarHBondContact O-CA 3.3Å; S127-V187 PolarHBondContact N-O 3.27Å; S127-V187 PolarHBondContact O-N 3.32Å
128G93.5Very high92.3Very high0 Ų030.2 Ų30.20%017%0.169CC..SBendtrans164.2177.1-159.200000110.9M133 L167G128-M133 VanDerWaalsContact O-CE 3.25Å; G128-M133 WeakPolarHBondContact O-CE 3.24Å; G128-L167 VanDerWaalsContact CA-CD2 3.48Å
129L93.6Very high92.6Very high1 Ų128 Ų281%0.00516%0.158CC..SBendtrans-103.82.6178.5-60.5177.2000112.7Y137 I163 L167 Y184 Q203 F205 F206L129-Y137 HydrophobicContact CD2-CD2 4.26Å; L129-Y137 HydrophobicContact CD2-CE2 4.2Å; L129-I163 HydrophobicContact CD1-CG2 4.44Å; L129-I163 HydrophobicContact CD2-CD1 3.79Å; L129-I163 HydrophobicContact CD2-CG1 4.11Å; L129-I163 HydrophobicContact CD2-CG2 3.99Å; L129-L167 HydrophobicContact CD2-CD2 4.12Å; L129-L167 HydrophobicContact CG-CD2 4.02Å; L129-Y184 HydrophobicContact CD1-CD1 3.72Å; L129-Y184 HydrophobicContact CD1-CD2 4.28Å; L129-Y184 HydrophobicContact CD1-CG 3.58Å; L129-Q203 HydrophobicContact CB-CG 3.98Å; L129-F205 WeakPolarHBondContact O-CE1 3.37Å; L129-F206 HydrophobicContact CD1-CB 4.21Å; L129-F206 HydrophobicContact CD1-CD1 3.58Å; L129-F206 HydrophobicContact CD1-CD2 3.89Å; L129-F206 HydrophobicContact CD1-CE1 3.78Å; L129-F206 HydrophobicContact CD1-CE2 4.09Å; L129-F206 HydrophobicContact CD1-CG 3.63Å; L129-F206 HydrophobicContact CD1-CZ 4.03Å; L129-F206 HydrophobicContact CD2-CD2 3.95Å; L129-F206 HydrophobicContact CD2-CE2 3.75Å; L129-F206 HydrophobicContact CD2-CZ 4.18Å; L129-F206 HydrophobicContact CG-CD2 4.43Å
130G90.1Very high92.8Very high1 Ų124.2 Ų24.21%0.0113%0.134CC..SBendtrans-89.5-157.1-169.100000113.1G132 M133 D134 D200 Q203G130-G132 PolarHBondContact O-N 2.61Å; G130-M133 PolarHBondContact O-N 3.43Å; G130-D134 PolarHBondContact O-N 3.31Å; G130-D200 WeakPolarHBondContact CA-OD2 3.44Å; G130-Q203 VanDerWaalsContact CA-CG 3.4Å
131A89.9Confident93.1Very high40 Ų4024 Ų2433%0.33113%0.132SC..THydrogen-bonded Turntrans-54.4124.2-175.200000111.4D200 L202A131-D200 PolarHBondContact N-OD2 3.43Å; A131-L202 HydrophobicContact CB-CD1 4.26Å; A131-L202 HydrophobicContact CB-CD2 4.38Å
132G89.4Confident93.4Very high13 Ų1317.8 Ų17.813%0.13410%0.103CC..THydrogen-bonded Turntrans101.7-4.6177.300000114.9T66 A67 G130T66-G132 WeakPolarHBondContact CB-O 3.43Å; T66-G132 PolarHBondContact N-O 3.5Å; T66-G132 VanDerWaalsContact N-O 3.15Å; A67-G132 VanDerWaalsContact CB-C 3.45Å; A67-G132 WeakPolarHBondContact CB-O 3.39Å; A67-G132 PolarHBondContact N-O 3.45Å; G130-G132 PolarHBondContact O-N 2.61Å
133M91.8Very high93.6Very high2 Ų216.4 Ų16.41%0.0110%0.097CC..THydrogen-bonded Turntrans-136.4-31.2173.8-44.696.1120.200114.9G112 G128 G130 S135 F136 Y137G112-M133 VanDerWaalsContact CA-SD 3.54Å; G128-M133 VanDerWaalsContact O-CE 3.25Å; G128-M133 WeakPolarHBondContact O-CE 3.24Å; G130-M133 PolarHBondContact O-N 3.43Å; M133-S135 PolarHBondContact O-N 3.32Å; M133-F136 VanDerWaalsContact O-CB 3.28Å; M133-F136 WeakPolarHBondContact O-CB 3.17Å; M133-F136 PolarHBondContact O-N 3.45Å; M133-Y137 HydrophobicContact CB-CD2 4.39Å; M133-Y137 HydrophobicContact CB-CE2 3.7Å; M133-Y137 WeakPolarHBondContact O-CD2 3.45Å
134D92.8Very high94Very high22 Ų2216.2 Ų16.212%0.1189%0.088CC..Hα-helixtrans-24-74.1175.341.422.6000114.7A67 G130 F136 Y137 E138 F205A67-D134 WeakPolarHBondContact CB-OD1 3.39Å; G130-D134 PolarHBondContact O-N 3.31Å; D134-F136 PolarHBondContact O-N 3.07Å; D134-Y137 PolarHBondContact O-N 3.48Å; D134-E138 PolarHBondContact O-N 2.91Å; D134-F205 VanDerWaalsContact CA-CZ 3.48Å; D134-F205 HydrophobicContact CB-CD1 4.03Å; D134-F205 HydrophobicContact CB-CE1 3.43Å; D134-F205 VanDerWaalsContact CB-CE1 3.43Å; D134-F205 HydrophobicContact CB-CZ 3.74Å; D134-F205 WeakPolarHBondContact O-CZ 3.39Å
135S95.3Very high94.3Very high12 Ų1217.3 Ų17.38%0.0849%0.09CC..Hα-helixtrans-72.8-13.8-17061.10000113.5A67 S71 M133 E138 Y139 T343A67-S135 WeakPolarHBondContact CB-OG 3.35Å; S71-S135 WeakPolarHBondContact CB-OG 3.24Å; S71-S135 WeakPolarHBondContact OG-CB 3.24Å; S71-S135 PolarHBondContact OG-OG 3.43Å; M133-S135 PolarHBondContact O-N 3.32Å; S135-E138 WeakPolarHBondContact O-CB 3.39Å; S135-Y139 WeakPolarHBondContact O-CB 3.37Å; S135-Y139 WeakPolarHBondContact O-CD1 3.46Å; S135-Y139 PolarHBondContact O-N 2.61Å; S135-T343 WeakPolarHBondContact CB-OG1 3.39Å
136F96.1Very high94.5Very high1 Ų112.3 Ų12.30%0.0047%0.068CC..Hα-helixtrans-64.3-49.4171.1176.4-94.8000110.9T66 V96 L99 L110 M133 D134 E138 Y139 L140T66-F136 HydrophobicContact CG2-CB 3.86Å; T66-F136 HydrophobicContact CG2-CD1 4Å; T66-F136 HydrophobicContact CG2-CD2 3.85Å; T66-F136 HydrophobicContact CG2-CE2 4.41Å; T66-F136 HydrophobicContact CG2-CG 3.62Å; V96-F136 HydrophobicContact CG1-CE2 4.16Å; V96-F136 HydrophobicContact CG1-CZ 4.45Å; L99-F136 HydrophobicContact CB-CE2 4.08Å; L99-F136 HydrophobicContact CB-CZ 4.45Å; L99-F136 HydrophobicContact CD1-CD2 4.07Å; L99-F136 HydrophobicContact CD1-CE2 3.89Å; L110-F136 HydrophobicContact CD1-CD1 3.85Å; L110-F136 HydrophobicContact CD1-CE1 3.18Å; L110-F136 HydrophobicContact CD1-CZ 3.69Å; M133-F136 VanDerWaalsContact O-CB 3.28Å; M133-F136 WeakPolarHBondContact O-CB 3.17Å; M133-F136 PolarHBondContact O-N 3.45Å; D134-F136 PolarHBondContact O-N 3.07Å; F136-E138 VanDerWaalsContact C-N 3.29Å; F136-E138 PolarHBondContact O-N 3.48Å; F136-Y139 PolarHBondContact O-N 3.44Å; F136-L140 HydrophobicContact CD1-CD1 4.15Å; F136-L140 HydrophobicContact CE1-CD1 3.57Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 HydrophobicContact CZ-CD1 4.02Å; F136-L140 HydrophobicContact CZ-CD2 4.36Å; F136-L140 HydrophobicContact CZ-CG 4.37Å; F136-L140 WeakPolarHBondContact O-CG 3.23Å; F136-L140 PolarHBondContact O-N 3.41Å
137Y95.8Very high94.6Very high4 Ų411.3 Ų11.32%0.0166%0.063CC..Hα-helixtrans-65-39178.3-58.6-59.8000111.3L129 M133 D134 Y139 F156 A159 I163L129-Y137 HydrophobicContact CD2-CD2 4.26Å; L129-Y137 HydrophobicContact CD2-CE2 4.2Å; M133-Y137 HydrophobicContact CB-CD2 4.39Å; M133-Y137 HydrophobicContact CB-CE2 3.7Å; M133-Y137 WeakPolarHBondContact O-CD2 3.45Å; D134-Y137 PolarHBondContact O-N 3.48Å; Y137-Y139 VanDerWaalsContact C-N 3.34Å; Y137-Y139 PolarHBondContact O-N 2.81Å; Y137-F156 WeakPolarHBondContact O-CD2 3.12Å; Y137-A159 HydrophobicContact CD1-CB 3.91Å; Y137-A159 HydrophobicContact CE1-CB 3.94Å; Y137-I163 HydrophobicContact CD1-CD1 3.96Å; Y137-I163 HydrophobicContact CD2-CD1 4.25Å; Y137-I163 HydrophobicContact CE1-CD1 3.93Å; Y137-I163 HydrophobicContact CE2-CD1 4.19Å; Y137-I163 HydrophobicContact CG-CD1 4.12Å
138E96.9Very high94.5Very high4 Ų412.8 Ų12.82%0.0198%0.079CC..Hα-helixtrans-56.2-49.6174.9-162.8-161.413400111.2D134 S135 F136 L140 L141 K142 F205 L209 T343D134-E138 PolarHBondContact O-N 2.91Å; S135-E138 WeakPolarHBondContact O-CB 3.39Å; F136-E138 VanDerWaalsContact C-N 3.29Å; F136-E138 PolarHBondContact O-N 3.48Å; E138-L140 PolarHBondContact O-N 3.25Å; E138-L141 PolarHBondContact O-N 2.9Å; E138-K142 HydrophobicContact CG-CD 3.75Å; E138-K142 HydrophobicContact CG-CG 4.25Å; E138-K142 WeakPolarHBondContact O-CB 3.29Å; E138-K142 VanDerWaalsContact O-CG 3.31Å; E138-K142 WeakPolarHBondContact O-CG 3.31Å; E138-K142 PolarHBondContact O-N 2.77Å; E138-K142 VanDerWaalsContact OE1-CD 3.29Å; E138-K142 WeakPolarHBondContact OE1-CD 3.45Å; E138-K142 WeakPolarHBondContact OE1-CE 3.49Å; E138-K142 IonicContact OE1-NZ 2.92Å; E138-K142 PolarHBondContact OE1-NZ 3.48Å; E138-F205 HydrophobicContact CB-CE2 4.01Å; E138-F205 HydrophobicContact CG-CE2 4.35Å; E138-L209 HydrophobicContact CG-CD1 4.47Å; E138-T343 VanDerWaalsContact OE1-CA 3.24Å; E138-T343 WeakPolarHBondContact OE1-CA 3.34Å; E138-T343 WeakPolarHBondContact OE1-CB 3.37Å; E138-T343 PolarHBondContact OE1-N 3.1Å; E138-T343 VanDerWaalsContact OE2-CB 3.31Å; E138-T343 WeakPolarHBondContact OE2-CB 3.45Å; E138-T343 PolarHBondContact OE2-OG1 3.5Å
139Y97.4Very high94.5Very high4 Ų415 Ų152%0.0169%0.089CC..Hα-helixtrans-72-29.4-173.1-87.430.8000113.1S71 V74 E75 S135 F136 Y137 L141 K142 S143 T343S71-Y139 VanDerWaalsContact C-CD2 3.5Å; S71-Y139 VanDerWaalsContact CA-CD2 3.47Å; S71-Y139 WeakPolarHBondContact O-CE2 3.47Å; V74-Y139 HydrophobicContact CB-CD2 3.97Å; V74-Y139 HydrophobicContact CB-CE2 3.64Å; V74-Y139 HydrophobicContact CG2-CD1 4.13Å; V74-Y139 HydrophobicContact CG2-CD2 3.63Å; V74-Y139 HydrophobicContact CG2-CE1 4.22Å; V74-Y139 HydrophobicContact CG2-CE2 3.78Å; V74-Y139 HydrophobicContact CG2-CG 3.82Å; E75-Y139 PolarHBondContact OE1-OH 2.9Å; E75-Y139 VanDerWaalsContact OE2-CE2 3.23Å; E75-Y139 WeakPolarHBondContact OE2-CE2 3.27Å; E75-Y139 PolarHBondContact OE2-OH 3.25Å; S135-Y139 WeakPolarHBondContact O-CB 3.37Å; S135-Y139 WeakPolarHBondContact O-CD1 3.46Å; S135-Y139 PolarHBondContact O-N 2.61Å; F136-Y139 PolarHBondContact O-N 3.44Å; Y137-Y139 VanDerWaalsContact C-N 3.34Å; Y137-Y139 PolarHBondContact O-N 2.81Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.49Å; Y139-K142 PolarHBondContact O-N 2.97Å; Y139-S143 WeakPolarHBondContact O-CB 3.5Å; Y139-S143 PolarHBondContact O-N 2.9Å; Y139-S143 PolarHBondContact O-OG 3.39Å; Y139-T343 HydrophobicContact CE1-CG2 4.06Å; Y139-T343 PolarHBondContact OH-N 3.21Å
140L97.1Very high94.6Very high2 Ų222 Ų221%0.0112%0.119CC..Hα-helixtrans-60.6-41.1172.5-66.4177000112.2V96 F136 E138 S143 D152 M155 F156V96-L140 HydrophobicContact CG1-CD2 3.68Å; F136-L140 HydrophobicContact CD1-CD1 4.15Å; F136-L140 HydrophobicContact CE1-CD1 3.57Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 HydrophobicContact CZ-CD1 4.02Å; F136-L140 HydrophobicContact CZ-CD2 4.36Å; F136-L140 HydrophobicContact CZ-CG 4.37Å; F136-L140 WeakPolarHBondContact O-CG 3.23Å; F136-L140 PolarHBondContact O-N 3.41Å; E138-L140 PolarHBondContact O-N 3.25Å; L140-S143 PolarHBondContact O-OG 2.94Å; L140-D152 WeakPolarHBondContact O-CB 3.49Å; L140-M155 HydrophobicContact CD1-CB 3.98Å; L140-M155 HydrophobicContact CD2-CB 3.99Å; L140-M155 HydrophobicContact CD2-SD 4.11Å; L140-F156 HydrophobicContact CB-CB 3.75Å; L140-F156 HydrophobicContact CB-CD2 4.34Å
141L97.2Very high94.8Very high5 Ų524.8 Ų24.83%0.02613%0.132CC..Hα-helixtrans-76.8-46.4176.7-176.560.1000111.4E138 Y139 S143 Y144 I145 Y153 F156 L209 L212 N213E138-L141 PolarHBondContact O-N 2.9Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.49Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.39Å; L141-Y144 WeakPolarHBondContact O-CB 3.16Å; L141-Y144 PolarHBondContact O-N 3.18Å; L141-I145 HydrophobicContact CD1-CD1 4.3Å; L141-I145 HydrophobicContact CD1-CG1 4.49Å; L141-I145 HydrophobicContact CG-CD1 3.94Å; L141-I145 WeakPolarHBondContact O-CG1 3.11Å; L141-I145 PolarHBondContact O-N 3.26Å; L141-Y153 HydrophobicContact CD1-CD2 4.26Å; L141-Y153 HydrophobicContact CD1-CE2 4.45Å; L141-F156 HydrophobicContact CB-CD1 4.12Å; L141-F156 HydrophobicContact CB-CD2 3.71Å; L141-F156 HydrophobicContact CB-CE1 4.24Å; L141-F156 HydrophobicContact CB-CE2 3.84Å; L141-F156 HydrophobicContact CB-CG 3.85Å; L141-F156 HydrophobicContact CB-CZ 4.11Å; L141-F156 HydrophobicContact CD1-CD1 3.86Å; L141-F156 HydrophobicContact CD1-CE1 3.96Å; L141-F156 HydrophobicContact CD1-CG 4.37Å; L141-F156 HydrophobicContact CD2-CE1 3.98Å; L141-F156 HydrophobicContact CD2-CE2 4.32Å; L141-F156 HydrophobicContact CD2-CZ 3.83Å; L141-F156 HydrophobicContact CG-CD1 4.39Å; L141-F156 HydrophobicContact CG-CE1 4.27Å; L141-F156 HydrophobicContact CG-CZ 4.37Å; L141-L209 HydrophobicContact CB-CD1 4.08Å; L141-L209 HydrophobicContact CD2-CD1 3.76Å; L141-L212 HydrophobicContact CD2-CB 3.81Å; L141-N213 HydrophobicContact CD2-CB 4.14Å
142K97.2Very high95.1Very high4 Ų423 Ų232%0.01712%0.117CC..Hα-helixtrans-64.5-37-176.8-67.1-168.3174.6179.40111.7V74 E138 Y139 I145 L146 L212 E260 I340 F341V74-K142 HydrophobicContact CG2-CB 4.39Å; E138-K142 HydrophobicContact CG-CD 3.75Å; E138-K142 HydrophobicContact CG-CG 4.25Å; E138-K142 WeakPolarHBondContact O-CB 3.29Å; E138-K142 VanDerWaalsContact O-CG 3.31Å; E138-K142 WeakPolarHBondContact O-CG 3.31Å; E138-K142 PolarHBondContact O-N 2.77Å; E138-K142 VanDerWaalsContact OE1-CD 3.29Å; E138-K142 WeakPolarHBondContact OE1-CD 3.45Å; E138-K142 WeakPolarHBondContact OE1-CE 3.49Å; E138-K142 IonicContact OE1-NZ 2.92Å; E138-K142 PolarHBondContact OE1-NZ 3.48Å; Y139-K142 PolarHBondContact O-N 2.97Å; K142-I145 PolarHBondContact O-N 2.75Å; K142-L146 WeakPolarHBondContact O-CB 3.09Å; K142-L146 WeakPolarHBondContact O-CG 3.32Å; K142-L146 PolarHBondContact O-N 3.45Å; K142-L212 HydrophobicContact CG-CD1 4.49Å; K142-E260 IonicContact NZ-OE1 2.89Å; K142-I340 HydrophobicContact CB-CD1 3.8Å; K142-I340 HydrophobicContact CD-CD1 4.19Å; K142-I340 HydrophobicContact CD-CG1 4.24Å; K142-I340 HydrophobicContact CG-CD1 3.66Å; K142-I340 HydrophobicContact CG-CG1 4.26Å; K142-F341 WeakPolarHBondContact CD-O 3.5Å; K142-F341 VanDerWaalsContact CE-O 3.27Å; K142-F341 WeakPolarHBondContact CE-O 3.45Å; K142-F341 PolarHBondContact NZ-O 2.76Å
143S96.5Very high95.4Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-65.8-39174.974.30000112Y139 L140 L141 L146 F147 D152Y139-S143 WeakPolarHBondContact O-CB 3.5Å; Y139-S143 PolarHBondContact O-N 2.9Å; Y139-S143 PolarHBondContact O-OG 3.39Å; L140-S143 PolarHBondContact O-OG 2.94Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.39Å; S143-L146 PolarHBondContact O-N 3.5Å; S143-F147 WeakPolarHBondContact O-CB 3.39Å; S143-F147 VanDerWaalsContact O-CD2 3.32Å; S143-F147 WeakPolarHBondContact O-CD2 3.37Å; S143-F147 PolarHBondContact O-N 3.32Å; S143-D152 WeakPolarHBondContact CB-OD2 3.4Å; S143-D152 VanDerWaalsContact OG-CB 3.27Å; S143-D152 WeakPolarHBondContact OG-CB 3.48Å; S143-D152 PolarHBondContact OG-OD2 3.31Å
144Y96.4Very high95.7Very high81 Ų8134.4 Ų34.432%0.31816%0.156SC..Hα-helixtrans-62.1-45.1172.9169.1-116.5000112L141 L146 G148 E149 Y153L141-Y144 WeakPolarHBondContact O-CB 3.16Å; L141-Y144 PolarHBondContact O-N 3.18Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 3.42Å; Y144-G148 WeakPolarHBondContact O-CA 3.41Å; Y144-G148 PolarHBondContact O-N 3.03Å; Y144-E149 VanDerWaalsContact CD2-O 3.31Å; Y144-E149 WeakPolarHBondContact CD2-O 3.18Å; Y144-Y153 AromaticContact CD1-CD2 3.7Å; Y144-Y153 HydrophobicContact CD1-CD2 3.7Å; Y144-Y153 AromaticContact CD1-CG 3.93Å; Y144-Y153 HydrophobicContact CD1-CG 3.93Å; Y144-Y153 AromaticContact CE1-CD2 3.83Å; Y144-Y153 HydrophobicContact CE1-CD2 3.83Å; Y144-Y153 HydrophobicContact CE1-CE2 4.43Å; Y144-Y153 AromaticContact CE1-CG 3.9Å; Y144-Y153 HydrophobicContact CE1-CG 3.9Å; Y144-Y153 HydrophobicContact CG-CD2 4.33Å; Y144-Y153 HydrophobicContact CG-CG 4.23Å
145I95.1Very high95.9Very high37 Ų3733.8 Ų33.819%0.1915%0.153CC..Hα-helixtrans-60.9-42179.9-67.5167.5000110.8L141 K142 I340 I350 R355L141-I145 HydrophobicContact CD1-CD1 4.3Å; L141-I145 HydrophobicContact CD1-CG1 4.49Å; L141-I145 HydrophobicContact CG-CD1 3.94Å; L141-I145 WeakPolarHBondContact O-CG1 3.11Å; L141-I145 PolarHBondContact O-N 3.26Å; K142-I145 PolarHBondContact O-N 2.75Å; I145-I340 HydrophobicContact CB-CD1 4Å; I145-I340 HydrophobicContact CD1-CD1 3.95Å; I145-I340 HydrophobicContact CG2-CD1 3.9Å; I145-I350 HydrophobicContact CG2-CD1 3.51Å; I145-I350 HydrophobicContact CG2-CG1 4.18Å; I145-R355 PolarHBondContact O-NH2 3.07Å; I145-R355 VanDerWaalsContact O-NH2 3.16Å
146L94.8Very high96Very high1 Ų133.4 Ų33.41%0.00515%0.15CC..Hα-helixtrans-73.4-58.8-179.4-76.1171.1000113V74 I78 K142 S143 Y144 I340 V348 I350V74-L146 HydrophobicContact CG1-CD1 3.61Å; V74-L146 HydrophobicContact CG2-CD1 4.39Å; I78-L146 HydrophobicContact CD1-CD1 4.41Å; K142-L146 WeakPolarHBondContact O-CB 3.09Å; K142-L146 WeakPolarHBondContact O-CG 3.32Å; K142-L146 PolarHBondContact O-N 3.45Å; S143-L146 PolarHBondContact O-N 3.5Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 3.42Å; L146-I340 HydrophobicContact CD1-CG2 3.91Å; L146-I340 HydrophobicContact CD2-CG2 3.53Å; L146-I340 HydrophobicContact CG-CG2 3.75Å; L146-V348 HydrophobicContact CD1-CG1 4.38Å; L146-V348 HydrophobicContact CD2-CB 4.37Å; L146-V348 HydrophobicContact CD2-CG1 3.65Å; L146-I350 HydrophobicContact CD2-CG1 4.28Å
147F94.8Very high96Very high4 Ų438.1 Ų38.12%0.01817%0.17CC..Hα-helixtrans-93-22.4-169.5-51.1-53.7000113.3I78 R81 S143 E149 F354I78-F147 HydrophobicContact CG1-CE1 4.19Å; I78-F147 HydrophobicContact CG1-CZ 4.12Å; R81-F147 HydrophobicContact CG-CE1 4.5Å; S143-F147 WeakPolarHBondContact O-CB 3.39Å; S143-F147 VanDerWaalsContact O-CD2 3.32Å; S143-F147 WeakPolarHBondContact O-CD2 3.37Å; S143-F147 PolarHBondContact O-N 3.32Å; F147-E149 HydrophobicContact CB-CG 4.25Å; F147-F354 HydrophobicContact CD1-CB 4.15Å; F147-F354 WeakPolarHBondContact CD1-O 3.45Å; F147-F354 HydrophobicContact CE1-CB 4.38Å
148G93.2Very high96Very high31 Ų3139.4 Ų39.432%0.3218%0.182SC..  trans80.411.7179.800000115.1Y144 K150Y144-G148 WeakPolarHBondContact O-CA 3.41Å; Y144-G148 PolarHBondContact O-N 3.03Å; G148-K150 PolarHBondContact O-N 3.22Å
149E93.3Very high96Very high47 Ų4739.5 Ų39.522%0.2218%0.183CC..  trans-73.3117.9-178.2-66.5-64.6172.400111.8R81 Y144 F147 E151 D152 K357R81-E149 IonicContact NH2-OE1 3.24Å; Y144-E149 VanDerWaalsContact CD2-O 3.31Å; Y144-E149 WeakPolarHBondContact CD2-O 3.18Å; F147-E149 HydrophobicContact CB-CG 4.25Å; E149-E151 PolarHBondContact O-N 2.66Å; E149-D152 PolarHBondContact O-N 2.87Å; E149-K357 WeakPolarHBondContact OE1-CE 3.2Å; E149-K357 IonicContact OE1-NZ 2.83Å; E149-K357 PolarHBondContact OE1-NZ 3.31Å
150K94.4Very high95.9Very high146 Ų14640.3 Ų40.364%0.63519%0.186SC*.Hα-helixtrans-65.1-25.7-175.9-66.5-179.7-178.6174.60113.2G148 R154G148-K150 PolarHBondContact O-N 3.22Å; K150-R154 VanDerWaalsContact O-CG 3.3Å; K150-R154 WeakPolarHBondContact O-CG 3.47Å; K150-R154 PolarHBondContact O-N 3Å; K150-R154 VanDerWaalsContact O-N 3.08Å
151E95.6Very high95.9Very high60 Ų6044.5 Ų44.528%0.2821%0.206SC..Hα-helixtrans-60.1-48.5177.1-175.7-180-169.300110.9R97 E149 Y153 R154 M155R97-E151 IonicContact CZ-OE1 3.88Å; R97-E151 IonicContact CZ-OE2 3.1Å; R97-E151 IonicContact NE-OE1 2.83Å; R97-E151 PolarHBondContact NE-OE1 2.7Å; R97-E151 IonicContact NE-OE2 2.61Å; R97-E151 PolarHBondContact NE-OE2 3.04Å; R97-E151 IonicContact NH2-OE1 2.91Å; R97-E151 IonicContact NH2-OE2 2.66Å; R97-E151 PolarHBondContact NH2-OE2 3.39Å; E149-E151 PolarHBondContact O-N 2.66Å; E151-Y153 VanDerWaalsContact C-N 3.32Å; E151-Y153 PolarHBondContact O-N 2.8Å; E151-R154 WeakPolarHBondContact O-CB 3.27Å; E151-R154 PolarHBondContact O-N 2.81Å; E151-R154 VanDerWaalsContact O-N 3.09Å; E151-M155 HydrophobicContact CG-CE 3.49Å; E151-M155 VanDerWaalsContact CG-CE 3.49Å; E151-M155 WeakPolarHBondContact O-CG 3.22Å; E151-M155 PolarHBondContact O-N 2.81Å; E151-M155 WeakPolarHBondContact OE1-CE 3.17Å
152D96.1Very high95.8Very high3 Ų345.1 Ų45.12%0.01621%0.211CC..Hα-helixtrans-59.6-43.5-178.3-60.9-9000111.3R93 L140 S143 E149 M155 F156R93-D152 IonicContact CZ-OD2 2.97Å; R93-D152 IonicContact NH1-OD1 3.56Å; R93-D152 PolarHBondContact NH1-OD1 3.26Å; R93-D152 IonicContact NH1-OD2 3.91Å; R93-D152 PolarHBondContact NH1-OD2 3.19Å; R93-D152 IonicContact NH2-OD2 2.69Å; L140-D152 WeakPolarHBondContact O-CB 3.49Å; S143-D152 WeakPolarHBondContact CB-OD2 3.4Å; S143-D152 VanDerWaalsContact OG-CB 3.27Å; S143-D152 WeakPolarHBondContact OG-CB 3.48Å; S143-D152 PolarHBondContact OG-OD2 3.31Å; E149-D152 PolarHBondContact O-N 2.87Å; D152-M155 PolarHBondContact O-N 3.27Å; D152-F156 WeakPolarHBondContact O-CB 3.31Å; D152-F156 PolarHBondContact O-N 3.22Å
153Y96Very high95.7Very high82 Ų8245.1 Ų45.132%0.32221%0.211SC..Hα-helixtrans-66.5-38.2176.1-175-116.3000113.3L141 Y144 E151 M155 F156 K157L141-Y153 HydrophobicContact CD1-CD2 4.26Å; L141-Y153 HydrophobicContact CD1-CE2 4.45Å; Y144-Y153 AromaticContact CD1-CD2 3.7Å; Y144-Y153 HydrophobicContact CD1-CD2 3.7Å; Y144-Y153 AromaticContact CD1-CG 3.93Å; Y144-Y153 HydrophobicContact CD1-CG 3.93Å; Y144-Y153 AromaticContact CE1-CD2 3.83Å; Y144-Y153 HydrophobicContact CE1-CD2 3.83Å; Y144-Y153 HydrophobicContact CE1-CE2 4.43Å; Y144-Y153 AromaticContact CE1-CG 3.9Å; Y144-Y153 HydrophobicContact CE1-CG 3.9Å; Y144-Y153 HydrophobicContact CG-CD2 4.33Å; Y144-Y153 HydrophobicContact CG-CG 4.23Å; E151-Y153 VanDerWaalsContact C-N 3.32Å; E151-Y153 PolarHBondContact O-N 2.8Å; Y153-M155 VanDerWaalsContact C-N 3.32Å; Y153-F156 HydrophobicContact CD2-CD1 4.43Å; Y153-F156 HydrophobicContact CE2-CD1 4.45Å; Y153-F156 PolarHBondContact O-N 3.46Å; Y153-K157 WeakPolarHBondContact O-CB 3.4Å; Y153-K157 PolarHBondContact O-N 2.84Å
154R97.2Very high95.6Very high172 Ų17246.9 Ų46.965%0.64922%0.219SC*.Hα-helixtrans-63.5-42175.6-74173.2-171.7152.7-2110.8K150 E151 A158K150-R154 VanDerWaalsContact O-CG 3.3Å; K150-R154 WeakPolarHBondContact O-CG 3.47Å; K150-R154 PolarHBondContact O-N 3Å; K150-R154 VanDerWaalsContact O-N 3.08Å; E151-R154 WeakPolarHBondContact O-CB 3.27Å; E151-R154 PolarHBondContact O-N 2.81Å; E151-R154 VanDerWaalsContact O-N 3.09Å; R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 2.89Å; R154-A158 VanDerWaalsContact O-N 3.11Å
155M97Very high95.5Very high10 Ų1048.5 Ų48.55%0.04923%0.233CC..Hα-helixtrans-63.1-49.3175.3-64.5-177.3-174.400110.7V96 R97 W100 L140 E151 D152 Y153 K157 A158 A159V96-M155 HydrophobicContact CG1-SD 4.12Å; R97-M155 HydrophobicContact CG-CE 3.94Å; W100-M155 HydrophobicContact CB-CE 4.37Å; W100-M155 HydrophobicContact CB-SD 4.12Å; W100-M155 HydrophobicContact CD2-CB 3.97Å; W100-M155 HydrophobicContact CD2-CG 3.68Å; W100-M155 HydrophobicContact CD2-SD 3.97Å; W100-M155 HydrophobicContact CE3-CB 3.92Å; W100-M155 HydrophobicContact CE3-CG 4.14Å; W100-M155 HydrophobicContact CE3-SD 4.43Å; W100-M155 HydrophobicContact CG-CE 4.06Å; W100-M155 HydrophobicContact CG-CG 4.03Å; W100-M155 HydrophobicContact CG-SD 3.82Å; W100-M155 VanDerWaalsContact CH2-CA 3.47Å; W100-M155 HydrophobicContact CH2-CB 3.89Å; W100-M155 HydrophobicContact CH2-CG 4.42Å; W100-M155 WeakPolarHBondContact CH2-O 3.43Å; W100-M155 VanDerWaalsContact CZ2-CA 3.48Å; W100-M155 HydrophobicContact CZ2-CB 3.86Å; W100-M155 HydrophobicContact CZ2-CG 3.91Å; W100-M155 HydrophobicContact CZ3-CB 3.91Å; W100-M155 WeakPolarHBondContact CZ3-O 2.89Å; L140-M155 HydrophobicContact CD1-CB 3.98Å; L140-M155 HydrophobicContact CD2-CB 3.99Å; L140-M155 HydrophobicContact CD2-SD 4.11Å; E151-M155 HydrophobicContact CG-CE 3.49Å; E151-M155 VanDerWaalsContact CG-CE 3.49Å; E151-M155 WeakPolarHBondContact O-CG 3.22Å; E151-M155 PolarHBondContact O-N 2.81Å; E151-M155 WeakPolarHBondContact OE1-CE 3.17Å; D152-M155 PolarHBondContact O-N 3.27Å; Y153-M155 VanDerWaalsContact C-N 3.32Å; M155-K157 PolarHBondContact O-N 2.84Å; M155-A158 PolarHBondContact O-N 3.04Å; M155-A159 WeakPolarHBondContact O-CB 3.39Å; M155-A159 PolarHBondContact O-N 3.43Å
156F97.2Very high95.5Very high3 Ų349 Ų491%0.01324%0.235CC..Hα-helixtrans-56.2-49.5177.3175.1-103.2000112.2Y137 L140 L141 D152 Y153 A158 A159 Y160 L209 N213Y137-F156 WeakPolarHBondContact O-CD2 3.12Å; L140-F156 HydrophobicContact CB-CB 3.75Å; L140-F156 HydrophobicContact CB-CD2 4.34Å; L141-F156 HydrophobicContact CB-CD1 4.12Å; L141-F156 HydrophobicContact CB-CD2 3.71Å; L141-F156 HydrophobicContact CB-CE1 4.24Å; L141-F156 HydrophobicContact CB-CE2 3.84Å; L141-F156 HydrophobicContact CB-CG 3.85Å; L141-F156 HydrophobicContact CB-CZ 4.11Å; L141-F156 HydrophobicContact CD1-CD1 3.86Å; L141-F156 HydrophobicContact CD1-CE1 3.96Å; L141-F156 HydrophobicContact CD1-CG 4.37Å; L141-F156 HydrophobicContact CD2-CE1 3.98Å; L141-F156 HydrophobicContact CD2-CE2 4.32Å; L141-F156 HydrophobicContact CD2-CZ 3.83Å; L141-F156 HydrophobicContact CG-CD1 4.39Å; L141-F156 HydrophobicContact CG-CE1 4.27Å; L141-F156 HydrophobicContact CG-CZ 4.37Å; D152-F156 WeakPolarHBondContact O-CB 3.31Å; D152-F156 PolarHBondContact O-N 3.22Å; Y153-F156 HydrophobicContact CD2-CD1 4.43Å; Y153-F156 HydrophobicContact CE2-CD1 4.45Å; Y153-F156 PolarHBondContact O-N 3.46Å; F156-A158 PolarHBondContact O-N 2.68Å; F156-A159 WeakPolarHBondContact O-CB 3.46Å; F156-A159 PolarHBondContact O-N 2.89Å; F156-Y160 AromaticContact CZ-CD2 3.95Å; F156-Y160 HydrophobicContact CZ-CD2 3.95Å; F156-Y160 HydrophobicContact CZ-CG 4.42Å; F156-Y160 WeakPolarHBondContact O-CB 3.43Å; F156-Y160 PolarHBondContact O-N 3.13Å; F156-L209 HydrophobicContact CE2-CD1 4.24Å; F156-L209 HydrophobicContact CE2-CD2 4.09Å; F156-L209 HydrophobicContact CE2-CG 4.22Å; F156-L209 HydrophobicContact CZ-CG 4.48Å; F156-N213 HydrophobicContact CE1-CB 4.1Å; F156-N213 WeakPolarHBondContact CE1-OD1 3.4Å; F156-N213 HydrophobicContact CZ-CB 4.12Å
157K96.8Very high95.5Very high101 Ų10149 Ų4944%0.43924%0.235SC..Hα-helixtrans-61.2-46.1-177.8-169.4-176.1-174.8-103.30111.8Y153 M155 A159 Y160 E161Y153-K157 WeakPolarHBondContact O-CB 3.4Å; Y153-K157 PolarHBondContact O-N 2.84Å; M155-K157 PolarHBondContact O-N 2.84Å; K157-A159 VanDerWaalsContact C-N 3.34Å; K157-Y160 PolarHBondContact O-N 2.89Å; K157-E161 WeakPolarHBondContact CE-OE1 3.45Å; K157-E161 IonicContact NZ-OE1 3.67Å; K157-E161 PolarHBondContact NZ-OE1 3.24Å; K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 2.92Å
158A96.6Very high95.5Very high31 Ų3150.2 Ų50.226%0.25624%0.239SC..Hα-helixtrans-64.1-40177.400000111.7W100 R154 M155 F156 E161 S162W100-A158 HydrophobicContact CH2-CB 3.8Å; W100-A158 HydrophobicContact CZ2-CB 3.97Å; R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 2.89Å; R154-A158 VanDerWaalsContact O-N 3.11Å; M155-A158 PolarHBondContact O-N 3.04Å; F156-A158 PolarHBondContact O-N 2.68Å; A158-E161 PolarHBondContact O-N 3.28Å; A158-S162 PolarHBondContact O-N 2.92Å; A158-S162 VanDerWaalsContact O-N 3.08Å; A158-S162 PolarHBondContact O-OG 3.35Å
159A96.1Very high95.5Very high6 Ų652.8 Ų52.85%0.0524%0.239CC..Hα-helixtrans-63.1-44.4174.100000112W100 Y137 M155 F156 K157 S162 I163W100-A159 HydrophobicContact CH2-CB 4.36Å; W100-A159 HydrophobicContact CZ3-CB 4.08Å; Y137-A159 HydrophobicContact CD1-CB 3.91Å; Y137-A159 HydrophobicContact CE1-CB 3.94Å; M155-A159 WeakPolarHBondContact O-CB 3.39Å; M155-A159 PolarHBondContact O-N 3.43Å; F156-A159 WeakPolarHBondContact O-CB 3.46Å; F156-A159 PolarHBondContact O-N 2.89Å; K157-A159 VanDerWaalsContact C-N 3.34Å; A159-S162 PolarHBondContact O-N 3.07Å; A159-I163 WeakPolarHBondContact O-CD1 3.47Å; A159-I163 VanDerWaalsContact O-CG1 3.26Å; A159-I163 WeakPolarHBondContact O-CG1 3.4Å; A159-I163 PolarHBondContact O-N 3.12Å
160Y96.3Very high95.4Very high20 Ų2052.8 Ų52.88%0.07825%0.251CS..Hα-helixtrans-61.2-45.3178.1-166-96.3000111.1F156 K157 S162 I163 Q164 F206 Q210 D215F156-Y160 AromaticContact CZ-CD2 3.95Å; F156-Y160 HydrophobicContact CZ-CD2 3.95Å; F156-Y160 HydrophobicContact CZ-CG 4.42Å; F156-Y160 WeakPolarHBondContact O-CB 3.43Å; F156-Y160 PolarHBondContact O-N 3.13Å; K157-Y160 PolarHBondContact O-N 2.89Å; Y160-S162 PolarHBondContact O-N 3.21Å; Y160-I163 WeakPolarHBondContact O-CB 3.2Å; Y160-I163 PolarHBondContact O-N 3Å; Y160-I163 VanDerWaalsContact O-N 3.16Å; Y160-Q164 HydrophobicContact CD1-CG 3.83Å; Y160-Q164 HydrophobicContact CE1-CG 3.63Å; Y160-Q164 VanDerWaalsContact O-CG 3.28Å; Y160-Q164 WeakPolarHBondContact O-CG 3.15Å; Y160-Q164 PolarHBondContact O-N 3.38Å; Y160-Q164 PolarHBondContact OH-NE2 2.95Å; Y160-F206 HydrophobicContact CD2-CZ 4.14Å; Y160-F206 HydrophobicContact CE2-CE1 4.35Å; Y160-F206 AromaticContact CE2-CZ 3.75Å; Y160-F206 HydrophobicContact CE2-CZ 3.75Å; Y160-Q210 HydrophobicContact CE2-CG 4.13Å; Y160-Q210 PolarHBondContact OH-NE2 3.5Å; Y160-D215 WeakPolarHBondContact OH-CB 3.18Å; Y160-D215 PolarHBondContact OH-OD2 2.89Å
161E95.8Very high95.2Very high91 Ų9146.3 Ų46.343%0.42522%0.223SC..Hα-helixtrans-58.2-45.3174.9-73.4171.7-17600111.6K157 A158 I163 Q164 N165K157-E161 WeakPolarHBondContact CE-OE1 3.45Å; K157-E161 IonicContact NZ-OE1 3.67Å; K157-E161 PolarHBondContact NZ-OE1 3.24Å; K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 2.92Å; A158-E161 PolarHBondContact O-N 3.28Å; E161-I163 PolarHBondContact O-N 3.42Å; E161-Q164 PolarHBondContact O-N 3.25Å; E161-N165 WeakPolarHBondContact O-CB 3.4Å; E161-N165 PolarHBondContact O-N 3.43Å; E161-N165 PolarHBondContact O-ND2 2.88Å
162S95.8Very high94.7Very high18 Ų1851.9 Ų51.913%0.12625%0.249CC..Hα-helixtrans-62.8-39.4174.6-72.40000112.8T107 A158 A159 Y160 N165 H166T107-S162 WeakPolarHBondContact O-CB 3.45Å; T107-S162 PolarHBondContact O-OG 3.47Å; A158-S162 PolarHBondContact O-N 2.92Å; A158-S162 VanDerWaalsContact O-N 3.08Å; A158-S162 PolarHBondContact O-OG 3.35Å; A159-S162 PolarHBondContact O-N 3.07Å; Y160-S162 PolarHBondContact O-N 3.21Å; S162-N165 PolarHBondContact O-N 3.4Å; S162-H166 WeakPolarHBondContact O-CB 3.48Å; S162-H166 PolarHBondContact O-CD2 3.47Å; S162-H166 PolarHBondContact O-N 3.26Å
163I95.5Very high94.3Very high3 Ų354.4 Ų54.42%0.01527%0.267CS..Hα-helixtrans-61.6-47.3175.2-71.6160.9000110.5L129 Y137 A159 Y160 E161 N165 L167 R168 Y184 F206L129-I163 HydrophobicContact CD1-CG2 4.44Å; L129-I163 HydrophobicContact CD2-CD1 3.79Å; L129-I163 HydrophobicContact CD2-CG1 4.11Å; L129-I163 HydrophobicContact CD2-CG2 3.99Å; Y137-I163 HydrophobicContact CD1-CD1 3.96Å; Y137-I163 HydrophobicContact CD2-CD1 4.25Å; Y137-I163 HydrophobicContact CE1-CD1 3.93Å; Y137-I163 HydrophobicContact CE2-CD1 4.19Å; Y137-I163 HydrophobicContact CG-CD1 4.12Å; A159-I163 WeakPolarHBondContact O-CD1 3.47Å; A159-I163 VanDerWaalsContact O-CG1 3.26Å; A159-I163 WeakPolarHBondContact O-CG1 3.4Å; A159-I163 PolarHBondContact O-N 3.12Å; Y160-I163 WeakPolarHBondContact O-CB 3.2Å; Y160-I163 PolarHBondContact O-N 3Å; Y160-I163 VanDerWaalsContact O-N 3.16Å; E161-I163 PolarHBondContact O-N 3.42Å; I163-N165 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 2.8Å; I163-L167 HydrophobicContact CG1-CD2 4.26Å; I163-L167 HydrophobicContact CG2-CB 4.31Å; I163-L167 HydrophobicContact CG2-CD2 4.32Å; I163-L167 WeakPolarHBondContact O-CA 3.3Å; I163-L167 WeakPolarHBondContact O-CB 3.46Å; I163-L167 PolarHBondContact O-N 3.46Å; I163-R168 PolarHBondContact O-N 2.98Å; I163-R168 VanDerWaalsContact O-N 3.17Å; I163-Y184 HydrophobicContact CG2-CD1 3.84Å; I163-Y184 HydrophobicContact CG2-CE1 3.78Å; I163-F206 HydrophobicContact CD1-CE2 4.4Å; I163-F206 HydrophobicContact CG2-CE1 4.46Å; I163-F206 HydrophobicContact CG2-CZ 3.93Å
164Q94.4Very high93.7Very high38 Ų3850.8 Ų50.818%0.17825%0.253CS..Hα-helixtrans-63.3-39.3179.4-65.7-58.3-29.200111.9Y160 E161 R168 Y184Y160-Q164 HydrophobicContact CD1-CG 3.83Å; Y160-Q164 HydrophobicContact CE1-CG 3.63Å; Y160-Q164 VanDerWaalsContact O-CG 3.28Å; Y160-Q164 WeakPolarHBondContact O-CG 3.15Å; Y160-Q164 PolarHBondContact O-N 3.38Å; Y160-Q164 PolarHBondContact OH-NE2 2.95Å; E161-Q164 PolarHBondContact O-N 3.25Å; Q164-R168 WeakPolarHBondContact O-CB 3.31Å; Q164-Y184 PolarHBondContact NE2-OH 2.88Å; Q164-Y184 PolarHBondContact OE1-OH 3.24Å
165N94.5Very high93.1Very high114 Ų11444 Ų4461%0.6123%0.23SC*.Hα-helixtrans-75.4-38.8-178.7-68.3-23.3000113.1E161 S162 I163E161-N165 WeakPolarHBondContact O-CB 3.4Å; E161-N165 PolarHBondContact O-N 3.43Å; E161-N165 PolarHBondContact O-ND2 2.88Å; S162-N165 PolarHBondContact O-N 3.4Å; I163-N165 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 2.8Å
166H95.1Very high92.6Very high49 Ų4949.2 Ų49.223%0.22725%0.254CS..Hα-helixtrans-110.4-30.6-167.8-62.9-68.9000114.7T107 L109 S162 R169 V187T107-H166 PolarHBondContact O-CD2 2.94Å; T107-H166 PolarHBondContact O-NE2 2.88Å; L109-H166 HydrophobicContact CD1-CB 3.78Å; L109-H166 HydrophobicContact CD2-CB 4.45Å; L109-H166 HydrophobicContact CG-CB 4.38Å; S162-H166 WeakPolarHBondContact O-CB 3.48Å; S162-H166 PolarHBondContact O-CD2 3.47Å; S162-H166 PolarHBondContact O-N 3.26Å; H166-R169 PolarHBondContact O-NH1 2.72Å; H166-R169 PolarHBondContact O-NH2 2.97Å; H166-V187 WeakPolarHBondContact O-CG1 3.35Å
167L95Very high92Very high0 Ų051.4 Ų51.40%028%0.277CS..THydrogen-bonded Turntrans-97.7-32.9-177.3-79.560.8000112L109 G128 L129 I163 Y184 V185 V187L109-L167 HydrophobicContact CD1-CD1 3.73Å; L109-L167 HydrophobicContact CD2-CD1 3.5Å; L109-L167 VanDerWaalsContact CD2-CD1 3.5Å; L109-L167 HydrophobicContact CG-CD1 4.28Å; G128-L167 VanDerWaalsContact CA-CD2 3.48Å; L129-L167 HydrophobicContact CD2-CD2 4.12Å; L129-L167 HydrophobicContact CG-CD2 4.02Å; I163-L167 HydrophobicContact CG1-CD2 4.26Å; I163-L167 HydrophobicContact CG2-CB 4.31Å; I163-L167 HydrophobicContact CG2-CD2 4.32Å; I163-L167 WeakPolarHBondContact O-CA 3.3Å; I163-L167 WeakPolarHBondContact O-CB 3.46Å; I163-L167 PolarHBondContact O-N 3.46Å; L167-Y184 HydrophobicContact CB-CD1 4.19Å; L167-Y184 WeakPolarHBondContact O-CA 3.45Å; L167-V185 PolarHBondContact O-N 3.49Å; L167-V187 HydrophobicContact CD1-CG2 3.57Å; L167-V187 HydrophobicContact CG-CG2 4.16Å
168R94.8Very high91.3Very high30 Ų3055.7 Ų55.711%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-70.2132178.8-167.1171.8-179.5-64.51.5110.8I163 Q164 R171 E172 Y184 D218I163-R168 PolarHBondContact O-N 2.98Å; I163-R168 VanDerWaalsContact O-N 3.17Å; Q164-R168 WeakPolarHBondContact O-CB 3.31Å; R168-R171 PolarHBondContact NH1-O 3.32Å; R168-R171 PolarHBondContact NH2-O 3.18Å; R168-E172 PolarHBondContact NH2-O 2.95Å; R168-Y184 HydrophobicContact CB-CD1 4.12Å; R168-Y184 HydrophobicContact CB-CE1 3.73Å; R168-Y184 HydrophobicContact CG-CE1 4.07Å; R168-D218 IonicContact CZ-OD1 3.64Å; R168-D218 IonicContact CZ-OD2 3.87Å; R168-D218 IonicContact NE-OD1 3.85Å; R168-D218 PolarHBondContact NE-OD1 3.47Å; R168-D218 IonicContact NE-OD2 3.85Å; R168-D218 PolarHBondContact NE-OD2 3.3Å; R168-D218 IonicContact NH2-OD1 3.05Å; R168-D218 PolarHBondContact NH2-OD1 3.19Å; R168-D218 IonicContact NH2-OD2 3.84Å
169R93Very high90.7Very high85 Ų8556.4 Ų56.432%0.32131%0.31SS..EExtended strand (participates in β ladder)trans-133.3163.3176.1-59.7-63.9177.4-1226.5109.4H166 P182 L183 V185 G192H166-R169 PolarHBondContact O-NH1 2.72Å; H166-R169 PolarHBondContact O-NH2 2.97Å; R169-P182 CarbonylContact O-C 3.6Å; R169-P182 VanDerWaalsContact O-CA 3.27Å; R169-P182 WeakPolarHBondContact O-CA 3.43Å; R169-L183 PolarHBondContact N-O 2.91Å; R169-L183 PolarHBondContact O-N 3.35Å; R169-V185 HydrophobicContact CG-CG1 4.16Å; R169-V185 HydrophobicContact CG-CG2 3.65Å; R169-G192 PolarHBondContact NH2-O 2.83Å; R169-G192 VanDerWaalsContact NH2-O 3.16Å
170G90.1Very high90.3Very high46 Ų4661.9 Ų61.947%0.47434%0.338SS..SBendtrans91.8-165.1-175.700000112.2D180G170-D180 WeakPolarHBondContact CA-O 3.15Å
171R90Very high89.8Confident11 Ų1161.2 Ų61.24%0.04234%0.336CS..  trans-62.9154.9-17663.7179.5-179-101.9-2.4113.2R168 S173 C174 D180 P181 P182R168-R171 PolarHBondContact NH1-O 3.32Å; R168-R171 PolarHBondContact NH2-O 3.18Å; R171-S173 WeakPolarHBondContact CD-O 3.42Å; R171-S173 VanDerWaalsContact CG-O 3.28Å; R171-S173 WeakPolarHBondContact CG-O 3.4Å; R171-S173 PolarHBondContact NE-O 2.78Å; R171-C174 PolarHBondContact NE-O 3.4Å; R171-C174 PolarHBondContact NH2-O 3.29Å; R171-D180 WeakPolarHBondContact CG-O 3.31Å; R171-D180 PolarHBondContact N-O 3.41Å; R171-P181 VanDerWaalsContact NH1-CA 3.27Å; R171-P182 HydrophobicContact CG-CG 3.92Å
172E86.3Confident89.6Confident176 Ų17657.1 Ų57.182%0.82232%0.318SS*.SBendtrans-69.4-46.3179.3-68.8-173.6170.600112.5R168R168-E172 PolarHBondContact NH2-O 2.95Å
173S86.7Confident89.4Confident57 Ų5756.5 Ų56.540%0.39931%0.313SS..  trans-100.5141.4-176.6-71.70000112.1R171 E176R171-S173 WeakPolarHBondContact CD-O 3.42Å; R171-S173 VanDerWaalsContact CG-O 3.28Å; R171-S173 WeakPolarHBondContact CG-O 3.4Å; R171-S173 PolarHBondContact NE-O 2.78Å; S173-E176 WeakPolarHBondContact CB-O 3.29Å; S173-E176 VanDerWaalsContact O-O 3.1Å
174C84.6Confident89.4Confident5 Ų556.5 Ų56.53%0.03431%0.313CS..SBendtrans-65.1-44.6-179.4175.70000113R171 D217 C221 L406R171-C174 PolarHBondContact NE-O 3.4Å; R171-C174 PolarHBondContact NH2-O 3.29Å; C174-D217 HydrophobicContact CB-CB 4.45Å; C174-D217 WeakPolarHBondContact CB-O 3.4Å; C174-D217 PolarHBondContact SG-O 3.15Å; C174-C221 VanDerWaalsContact C-SG 3.56Å; C174-C221 WeakPolarHBondContact CA-SG 3.29Å; C174-C221 HydrophobicContact CB-CB 3.87Å; C174-C221 WeakPolarHBondContact CB-SG 3.42Å; C174-C221 PolarHBondContact O-SG 3.39Å; C174-C221 VanDerWaalsContact O-SG 3.33Å; C174-C221 VanDerWaalsContact SG-CA 3.56Å; C174-C221 WeakPolarHBondContact SG-CB 2.89Å; C174-C221 CovalentContact SG-SG 2.02Å; C174-C221 PolarHBondContact SG-SG 3.26Å; C174-L406 WeakPolarHBondContact SG-CD2 3.31Å
175N84.7Confident89.4Confident30 Ų3054.8 Ų54.816%0.1631%0.305CS..SBendtrans-112.511.8-170.9-98.2-43.3000114.5P405 L406 K407 Y410N175-P405 PolarHBondContact ND2-O 3.05Å; N175-L406 VanDerWaalsContact OD1-CA 3.25Å; N175-L406 WeakPolarHBondContact OD1-CA 3.13Å; N175-L406 WeakPolarHBondContact OD1-CD2 3.17Å; N175-K407 PolarHBondContact O-NZ 3.4Å; N175-K407 PolarHBondContact OD1-N 2.83Å; N175-Y410 WeakPolarHBondContact O-CE2 3.47Å
176E85.1Confident89.4Confident120 Ų12049.4 Ų49.456%0.56128%0.276SS*.SBendtrans-149.5160.6-175.4-61.2-169.4169.300110.8S173 K407 Y410S173-E176 WeakPolarHBondContact CB-O 3.29Å; S173-E176 VanDerWaalsContact O-O 3.1Å; E176-K407 IonicContact OE1-NZ 3.3Å; E176-Y410 VanDerWaalsContact CA-OH 3.27Å; E176-Y410 WeakPolarHBondContact CA-OH 3.5Å
177G84.9Confident89.4Confident48 Ų4847.1 Ų47.150%0.49527%0.265SS..SBendtrans88.8179.5-179.800000114.5Y410G177-Y410 PolarHBondContact N-OH 2.96Å; G177-Y410 PolarHBondContact O-OH 2.95Å
178E81.8Confident89.4Confident191 Ų19148.8 Ų48.889%0.89327%0.274SS*.SBendtrans-115.8152.7180-63.2-173.8173.300110.4
179G85.1Confident89.3Confident47 Ų4747.3 Ų47.349%0.48527%0.269SS..SBendtrans112.7-177.2-179.200000114.1
180D86.1Confident89.3Confident121 Ų12147.3 Ų47.365%0.64727%0.271SS*.SBendtrans-67.5149.7-174.5-68.4-37.9000112.5G170 R171G170-D180 WeakPolarHBondContact CA-O 3.15Å; R171-D180 WeakPolarHBondContact CG-O 3.31Å; R171-D180 PolarHBondContact N-O 3.41Å
181P87Confident89.5Confident6 Ų648 Ų484%0.03927%0.269CS..PPolyproline II helixtrans-51.5143.5172.9-25.534.2000113.7R171 L183 Q413 I414 M417R171-P181 VanDerWaalsContact NH1-CA 3.27Å; P181-L183 PolarHBondContact O-N 2.95Å; P181-Q413 HydrophobicContact CG-CB 4.28Å; P181-I414 HydrophobicContact CB-CG1 3.89Å; P181-I414 HydrophobicContact CG-CG1 3.85Å; P181-M417 HydrophobicContact CB-SD 3.92Å; P181-M417 HydrophobicContact CG-SD 3.79Å
182P90.5Very high89.6Confident5 Ų547.8 Ų47.83%0.03227%0.27CS..PPolyproline II helixtrans-58.8130.1174.9-22.633.8000111.1R169 R171 C221R169-P182 CarbonylContact O-C 3.6Å; R169-P182 VanDerWaalsContact O-CA 3.27Å; R169-P182 WeakPolarHBondContact O-CA 3.43Å; R171-P182 HydrophobicContact CG-CG 3.92Å; P182-C221 HydrophobicContact CG-CB 4.33Å
183L92Very high90Very high5 Ų545.9 Ų45.93%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-138.9146.5176.7-178.365.9000109.7R169 P181 V185 I199 F225 W242 M417R169-L183 PolarHBondContact N-O 2.91Å; R169-L183 PolarHBondContact O-N 3.35Å; P181-L183 PolarHBondContact O-N 2.95Å; L183-V185 HydrophobicContact CD2-CG1 4.02Å; L183-V185 HydrophobicContact CG-CG1 4.18Å; L183-I199 HydrophobicContact CD1-CD1 4.28Å; L183-I199 HydrophobicContact CD1-CG2 4.38Å; L183-F225 HydrophobicContact CD1-CD1 4.07Å; L183-F225 HydrophobicContact CD1-CE1 3.78Å; L183-F225 HydrophobicContact CD1-CE2 4.49Å; L183-F225 HydrophobicContact CD1-CZ 4Å; L183-W242 HydrophobicContact CD2-CB 3.93Å; L183-W242 HydrophobicContact CD2-CD2 3.87Å; L183-W242 HydrophobicContact CD2-CG 3.56Å; L183-M417 HydrophobicContact CB-CE 4.45Å; L183-M417 HydrophobicContact CD2-CE 3.95Å
184Y95Very high90.4Very high3 Ų347 Ų471%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-99.9120.3171.3-65.2-93.8000109.2L129 I163 Q164 L167 R168 F206 Q210 L222L129-Y184 HydrophobicContact CD1-CD1 3.72Å; L129-Y184 HydrophobicContact CD1-CD2 4.28Å; L129-Y184 HydrophobicContact CD1-CG 3.58Å; I163-Y184 HydrophobicContact CG2-CD1 3.84Å; I163-Y184 HydrophobicContact CG2-CE1 3.78Å; Q164-Y184 PolarHBondContact NE2-OH 2.88Å; Q164-Y184 PolarHBondContact OE1-OH 3.24Å; L167-Y184 HydrophobicContact CB-CD1 4.19Å; L167-Y184 WeakPolarHBondContact O-CA 3.45Å; R168-Y184 HydrophobicContact CB-CD1 4.12Å; R168-Y184 HydrophobicContact CB-CE1 3.73Å; R168-Y184 HydrophobicContact CG-CE1 4.07Å; Y184-F206 HydrophobicContact CD1-CE1 4.45Å; Y184-F206 HydrophobicContact CE1-CE1 4.01Å; Y184-F206 HydrophobicContact CE2-CD1 4.4Å; Y184-F206 HydrophobicContact CE2-CE1 4.26Å; Y184-F206 AromaticContact CZ-CE1 3.9Å; Y184-Q210 PolarHBondContact OH-NE2 3.46Å; Y184-L222 HydrophobicContact CD2-CD1 3.91Å; Y184-L222 HydrophobicContact CD2-CD2 3.66Å; Y184-L222 HydrophobicContact CD2-CG 4.31Å; Y184-L222 HydrophobicContact CE2-CD1 4.46Å; Y184-L222 HydrophobicContact CE2-CD2 3.82Å; Y184-L222 HydrophobicContact CE2-CG 4.5Å
185V95Very high90.8Very high2 Ų251 Ų511%0.01228%0.281CS..  trans-109.5159.4-175.2-56.90000111.5L167 R169 L183 V187 I194 W242L167-V185 PolarHBondContact O-N 3.49Å; R169-V185 HydrophobicContact CG-CG1 4.16Å; R169-V185 HydrophobicContact CG-CG2 3.65Å; L183-V185 HydrophobicContact CD2-CG1 4.02Å; L183-V185 HydrophobicContact CG-CG1 4.18Å; V185-V187 HydrophobicContact CG2-CG1 3.9Å; V185-I194 HydrophobicContact CG2-CD1 4.17Å; V185-I194 HydrophobicContact CG2-CG1 3.93Å; V185-W242 HydrophobicContact CG1-CZ2 4.1Å
186N95.1Very high91.2Very high1 Ų150.5 Ų50.51%0.00528%0.278CS..  trans-80.3129.1173.1-65-47.5000110.5Q126 S127 M195 N196 W198Q126-N186 HydrophobicContact CG-CB 4.03Å; S127-N186 CarbonylContact O-C 3.57Å; S127-N186 VanDerWaalsContact O-CA 3.31Å; S127-N186 WeakPolarHBondContact O-CA 3.3Å; N186-M195 PolarHBondContact O-N 2.85Å; N186-N196 VanDerWaalsContact CB-ND2 3.29Å; N186-N196 WeakPolarHBondContact CB-ND2 3.44Å; N186-N196 WeakPolarHBondContact CB-OD1 3.37Å; N186-N196 PolarHBondContact ND2-ND2 2.95Å; N186-N196 PolarHBondContact ND2-OD1 2.66Å; N186-W198 WeakPolarHBondContact ND2-CZ3 3.39Å; N186-W198 PolarHBondContact ND2-O 3.17Å
187V95.2Very high91.6Very high0 Ų046.6 Ų46.60%026%0.263CS..EExtended strand (participates in β ladder)trans-127.9165.2-176.4-580000112.1L109 S127 H166 L167 V185 E193L109-V187 HydrophobicContact CD1-CG2 3.67Å; S127-V187 PolarHBondContact N-O 3.27Å; S127-V187 PolarHBondContact O-N 3.32Å; H166-V187 WeakPolarHBondContact O-CG1 3.35Å; L167-V187 HydrophobicContact CD1-CG2 3.57Å; L167-V187 HydrophobicContact CG-CG2 4.16Å; V185-V187 HydrophobicContact CG2-CG1 3.9Å; V187-E193 CarbonylContact C-O 3.4Å; V187-E193 WeakPolarHBondContact CA-O 3.37Å; V187-E193 WeakPolarHBondContact CB-O 3.39Å
188N94.8Very high92Very high35 Ų3546.2 Ų46.219%0.18725%0.246CC..EExtended strand (participates in β ladder)trans-74.1130.3169.4-172.7-65.3000109.3F190 S191 G192 E193 M195N188-F190 PolarHBondContact O-N 2.61Å; N188-F190 PolarHBondContact OD1-N 2.63Å; N188-S191 WeakPolarHBondContact CB-OG 3.31Å; N188-S191 PolarHBondContact OD1-N 3Å; N188-G192 WeakPolarHBondContact O-CA 3.47Å; N188-G192 PolarHBondContact O-N 3.12Å; N188-E193 PolarHBondContact N-O 3.46Å; N188-M195 WeakPolarHBondContact CA-SD 3.28Å; N188-M195 HydrophobicContact CB-CG 3.89Å; N188-M195 HydrophobicContact CB-SD 3.82Å
189M92.9Very high92.6Very high0 Ų037.2 Ų37.20%020%0.204CC..THydrogen-bonded Turntrans-59.9-29-177.372.4174.2-65.800113.4S104 T107 L109 A111 W122 K125S104-M189 WeakPolarHBondContact CB-O 3.48Å; S104-M189 PolarHBondContact OG-O 3.21Å; T107-M189 WeakPolarHBondContact CG2-O 3.41Å; T107-M189 PolarHBondContact OG1-O 2.73Å; L109-M189 HydrophobicContact CB-CB 4.4Å; A111-M189 HydrophobicContact CB-CB 4.28Å; A111-M189 HydrophobicContact CB-CE 4.22Å; A111-M189 HydrophobicContact CB-CG 4.25Å; A111-M189 HydrophobicContact CB-SD 3.32Å; A111-M189 WeakPolarHBondContact CB-SD 3.42Å; W122-M189 HydrophobicContact CB-SD 4.14Å; W122-M189 HydrophobicContact CD2-SD 4.44Å; W122-M189 HydrophobicContact CG-CE 4.29Å; W122-M189 HydrophobicContact CG-SD 3.85Å; K125-M189 HydrophobicContact CB-CG 4.46Å; K125-M189 PolarHBondContact O-N 3.15Å
190F93.3Very high93Very high85 Ų8535.2 Ų35.237%0.37318%0.183SC..THydrogen-bonded Turntrans-93.5-41.2-175.9-58.6-72000112.7T107 K125 N188T107-F190 WeakPolarHBondContact CG2-O 3.4Å; K125-F190 HydrophobicContact CD-CD2 4.27Å; K125-F190 HydrophobicContact CD-CE2 3.97Å; K125-F190 HydrophobicContact CG-CE2 4.1Å; N188-F190 PolarHBondContact O-N 2.61Å; N188-F190 PolarHBondContact OD1-N 2.63Å
191S93.2Very high93.4Very high60 Ų6029.6 Ų29.642%0.4215%0.153SC..THydrogen-bonded Turntrans-95.1-20.7-177.165.80000114.1N188 E193N188-S191 WeakPolarHBondContact CB-OG 3.31Å; N188-S191 PolarHBondContact OD1-N 3Å; S191-E193 PolarHBondContact O-N 3.32Å; S191-E193 WeakPolarHBondContact OG-CB 3.19Å; S191-E193 WeakPolarHBondContact OG-CG 3.39Å; S191-E193 PolarHBondContact OG-N 2.97Å; S191-E193 PolarHBondContact OG-OE2 3.27Å
192G92.6Very high93.7Very high6 Ų630.3 Ų30.36%0.06216%0.156CC..  trans70.37.8-171.900000114.1R169 N188R169-G192 PolarHBondContact NH2-O 2.83Å; R169-G192 VanDerWaalsContact NH2-O 3.16Å; N188-G192 WeakPolarHBondContact O-CA 3.47Å; N188-G192 PolarHBondContact O-N 3.12Å
193E94.4Very high94Very high137 Ų13730.1 Ų30.164%0.6416%0.155SC*.  trans-76.7145.6177.3-66.9175.415200111.4V187 N188 S191 M195V187-E193 CarbonylContact C-O 3.4Å; V187-E193 WeakPolarHBondContact CA-O 3.37Å; V187-E193 WeakPolarHBondContact CB-O 3.39Å; N188-E193 PolarHBondContact N-O 3.46Å; S191-E193 PolarHBondContact O-N 3.32Å; S191-E193 WeakPolarHBondContact OG-CB 3.19Å; S191-E193 WeakPolarHBondContact OG-CG 3.39Å; S191-E193 PolarHBondContact OG-N 2.97Å; S191-E193 PolarHBondContact OG-OE2 3.27Å; E193-M195 PolarHBondContact O-N 3.46Å
194I94.9Very high94.2Very high80 Ų8029.9 Ų29.941%0.4115%0.153SC..BIsolated β-bridgetrans-63.2125179.4-58.9-179.5000109.6V185 N196V185-I194 HydrophobicContact CG2-CD1 4.17Å; V185-I194 HydrophobicContact CG2-CG1 3.93Å; I194-N196 WeakPolarHBondContact CG2-O 3.38Å
195M93.2Very high94.3Very high89 Ų8930.1 Ų30.144%0.43816%0.155SC..  trans-94.8-30.5-179.3-78.9-172.26900113.5Q126 N186 N188 E193Q126-M195 HydrophobicContact CB-CE 4.21Å; Q126-M195 HydrophobicContact CB-SD 3.94Å; Q126-M195 HydrophobicContact CG-SD 4.28Å; N186-M195 PolarHBondContact O-N 2.85Å; N188-M195 WeakPolarHBondContact CA-SD 3.28Å; N188-M195 HydrophobicContact CB-CG 3.89Å; N188-M195 HydrophobicContact CB-SD 3.82Å; E193-M195 PolarHBondContact O-N 3.46Å
196N92.6Very high94.5Very high20 Ų2030 Ų3011%0.10715%0.154CC..  trans-151.4174.7-177.668.653.2000111Q126 N186 I194 W198Q126-N196 VanDerWaalsContact CD-ND2 3.29Å; Q126-N196 PolarHBondContact NE2-ND2 2.88Å; Q126-N196 PolarHBondContact OE1-ND2 3.06Å; N186-N196 VanDerWaalsContact CB-ND2 3.29Å; N186-N196 WeakPolarHBondContact CB-ND2 3.44Å; N186-N196 WeakPolarHBondContact CB-OD1 3.37Å; N186-N196 PolarHBondContact ND2-ND2 2.95Å; N186-N196 PolarHBondContact ND2-OD1 2.66Å; I194-N196 WeakPolarHBondContact CG2-O 3.38Å; N196-W198 HydrophobicContact CB-CG 4.46Å; N196-W198 VanDerWaalsContact CG-CE2 3.5Å; N196-W198 VanDerWaalsContact ND2-CE2 3.34Å; N196-W198 VanDerWaalsContact ND2-CZ2 3.34Å; N196-W198 WeakPolarHBondContact ND2-CZ2 3.3Å; N196-W198 PolarHBondContact OD1-N 2.98Å; N196-W198 PolarHBondContact OD1-O 3.19Å
197T93.9Very high94.6Very high38 Ų3830 Ų3023%0.23315%0.154CC..SBendtrans-11816.8-173.1590000112.1N241 W242 Q243T197-N241 CarbonylContact O-C 3.57Å; T197-N241 WeakPolarHBondContact O-CA 3.39Å; T197-N241 PolarHBondContact O-OD1 3.3Å; T197-N241 PolarHBondContact OG1-ND2 3.38Å; T197-N241 PolarHBondContact OG1-OD1 2.67Å; T197-W242 VanDerWaalsContact C-CD1 3.48Å; T197-W242 VanDerWaalsContact C-NE1 3.25Å; T197-W242 HydrophobicContact CG2-CZ2 4.36Å; T197-W242 PolarHBondContact O-N 2.95Å; T197-W242 PolarHBondContact O-NE1 3.25Å; T197-W242 VanDerWaalsContact O-NE1 3.14Å; T197-Q243 HydrophobicContact CG2-CG 3.94Å; T197-Q243 VanDerWaalsContact CG2-OE1 3.27Å
198W94.1Very high94.7Very high40 Ų4030 Ų3015%0.15215%0.154CC..EExtended strand (participates in β ladder)trans-117.1156.7178.759-105.2000111.6N186 N196 D200 R239 Y240N186-W198 WeakPolarHBondContact ND2-CZ3 3.39Å; N186-W198 PolarHBondContact ND2-O 3.17Å; N196-W198 HydrophobicContact CB-CG 4.46Å; N196-W198 VanDerWaalsContact CG-CE2 3.5Å; N196-W198 VanDerWaalsContact ND2-CE2 3.34Å; N196-W198 VanDerWaalsContact ND2-CZ2 3.34Å; N196-W198 WeakPolarHBondContact ND2-CZ2 3.3Å; N196-W198 PolarHBondContact OD1-N 2.98Å; N196-W198 PolarHBondContact OD1-O 3.19Å; W198-D200 VanDerWaalsContact CZ3-OD1 3.32Å; W198-D200 WeakPolarHBondContact CZ3-OD1 3.34Å; W198-D200 WeakPolarHBondContact CZ3-OD2 3.45Å; W198-R239 HydrophobicContact CE3-CG 4.15Å; W198-Y240 CarbonylContact C-O 3.56Å; W198-Y240 WeakPolarHBondContact CA-O 3.5Å
199I94.1Very high94.8Very high1 Ų128.5 Ų28.51%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-128.4148.3173.453.9170.5000108.4L183 F225 Y226 I229 R239 Y240L183-I199 HydrophobicContact CD1-CD1 4.28Å; L183-I199 HydrophobicContact CD1-CG2 4.38Å; I199-F225 HydrophobicContact CD1-CD1 4.36Å; I199-F225 HydrophobicContact CD1-CE1 3.38Å; I199-F225 HydrophobicContact CD1-CZ 4.08Å; I199-Y226 HydrophobicContact CD1-CE1 3.88Å; I199-I229 HydrophobicContact CD1-CD1 4.35Å; I199-R239 CarbonylContact O-C 3.59Å; I199-R239 VanDerWaalsContact O-CA 3.3Å; I199-R239 WeakPolarHBondContact O-CA 3.09Å; I199-Y240 HydrophobicContact CD1-CD1 4.3Å; I199-Y240 HydrophobicContact CG1-CD1 4.45Å; I199-Y240 WeakPolarHBondContact CG1-O 3.38Å; I199-Y240 PolarHBondContact N-O 3.29Å; I199-Y240 PolarHBondContact O-N 3.39Å
200D92.7Very high94.9Very high6 Ų628.5 Ų28.53%0.03215%0.146CC..EExtended strand (participates in β ladder)trans-87.8151175.9-54.8-72.2000110.9G130 A131 W198 L202 Q203 E238 R239G130-D200 WeakPolarHBondContact CA-OD2 3.44Å; A131-D200 PolarHBondContact N-OD2 3.43Å; W198-D200 VanDerWaalsContact CZ3-OD1 3.32Å; W198-D200 WeakPolarHBondContact CZ3-OD1 3.34Å; W198-D200 WeakPolarHBondContact CZ3-OD2 3.45Å; D200-L202 HydrophobicContact CB-CB 4.47Å; D200-L202 HydrophobicContact CB-CD1 3.96Å; D200-L202 PolarHBondContact O-N 3.23Å; D200-Q203 WeakPolarHBondContact O-CB 3.33Å; D200-Q203 PolarHBondContact O-N 3.21Å; D200-E238 CarbonylContact C-O 3.58Å; D200-E238 VanDerWaalsContact CA-O 3.27Å; D200-E238 WeakPolarHBondContact CA-O 3.03Å; D200-R239 WeakPolarHBondContact OD1-CG 3.46Å; D200-R239 IonicContact OD1-CZ 3.56Å; D200-R239 IonicContact OD1-NE 2.79Å; D200-R239 PolarHBondContact OD1-NE 3.19Å; D200-R239 IonicContact OD1-NH2 3.35Å
201S94.5Very high95.1Very high3 Ų325.3 Ų25.32%0.02113%0.133CC..G310 helixtrans-60.2-27.8170.654.40000113Q203 A204 P237 E238 R255S201-Q203 PolarHBondContact O-N 3.04Å; S201-A204 VanDerWaalsContact O-CB 3.22Å; S201-A204 WeakPolarHBondContact O-CB 3.44Å; S201-A204 PolarHBondContact O-N 2.83Å; S201-A204 VanDerWaalsContact O-N 3.12Å; S201-P237 WeakPolarHBondContact CB-O 3.18Å; S201-E238 PolarHBondContact N-O 2.89Å; S201-R255 WeakPolarHBondContact OG-CD 3.19Å; S201-R255 PolarHBondContact OG-NE 3.12Å
202L94.8Very high95.1Very high20 Ų2025.3 Ų25.311%0.10513%0.128CC..G310 helixtrans-60.2-33178.7-65.892.5000111.6A131 D200 A204 F205A131-L202 HydrophobicContact CB-CD1 4.26Å; A131-L202 HydrophobicContact CB-CD2 4.38Å; D200-L202 HydrophobicContact CB-CB 4.47Å; D200-L202 HydrophobicContact CB-CD1 3.96Å; D200-L202 PolarHBondContact O-N 3.23Å; L202-A204 PolarHBondContact O-N 2.94Å; L202-F205 WeakPolarHBondContact O-CD1 3.35Å; L202-F205 PolarHBondContact O-N 3.36Å
203Q95.6Very high95.3Very high2 Ų227.4 Ų27.41%0.00914%0.138CC..G310 helixtrans-58.9-14.9178.1-67.2-168.6-10.900113.7L129 G130 D200 S201 F205 F206 Y226L129-Q203 HydrophobicContact CB-CG 3.98Å; G130-Q203 VanDerWaalsContact CA-CG 3.4Å; D200-Q203 WeakPolarHBondContact O-CB 3.33Å; D200-Q203 PolarHBondContact O-N 3.21Å; S201-Q203 PolarHBondContact O-N 3.04Å; Q203-F205 PolarHBondContact O-N 2.94Å; Q203-F205 VanDerWaalsContact O-N 3.12Å; Q203-F206 WeakPolarHBondContact O-CB 3.42Å; Q203-F206 PolarHBondContact O-N 3.29Å; Q203-F206 VanDerWaalsContact O-N 3.13Å; Q203-Y226 WeakPolarHBondContact CB-OH 3.41Å; Q203-Y226 PolarHBondContact OE1-OH 3.09Å
204A97.2Very high95.3Very high0 Ų023.4 Ų23.40%013%0.134CC..G310 helixtrans-66-5.6176.100000114S201 L202 P207 Y226 L236 E257 L258 S261S201-A204 VanDerWaalsContact O-CB 3.22Å; S201-A204 WeakPolarHBondContact O-CB 3.44Å; S201-A204 PolarHBondContact O-N 2.83Å; S201-A204 VanDerWaalsContact O-N 3.12Å; L202-A204 PolarHBondContact O-N 2.94Å; A204-P207 WeakPolarHBondContact O-CD 3.12Å; A204-Y226 HydrophobicContact CB-CD1 3.97Å; A204-Y226 HydrophobicContact CB-CD2 3.96Å; A204-Y226 HydrophobicContact CB-CE1 4.3Å; A204-Y226 HydrophobicContact CB-CE2 4.29Å; A204-Y226 HydrophobicContact CB-CG 3.82Å; A204-L236 HydrophobicContact CB-CD1 4.06Å; A204-E257 HydrophobicContact CB-CB 4.04Å; A204-E257 CarbonylContact O-C 3.56Å; A204-E257 VanDerWaalsContact O-O 3.06Å; A204-L258 HydrophobicContact CB-CB 4.17Å; A204-S261 WeakPolarHBondContact O-CB 3.13Å; A204-S261 PolarHBondContact O-OG 3.16Å
205F97.4Very high95.2Very high8 Ų821.5 Ų21.54%0.03512%0.124CC..G310 helixtrans-76.1-27.2172.389.4-73.2000111.9L129 D134 E138 L202 Q203 P207 G208 L209 E257 S261L129-F205 WeakPolarHBondContact O-CE1 3.37Å; D134-F205 VanDerWaalsContact CA-CZ 3.48Å; D134-F205 HydrophobicContact CB-CD1 4.03Å; D134-F205 HydrophobicContact CB-CE1 3.43Å; D134-F205 VanDerWaalsContact CB-CE1 3.43Å; D134-F205 HydrophobicContact CB-CZ 3.74Å; D134-F205 WeakPolarHBondContact O-CZ 3.39Å; E138-F205 HydrophobicContact CB-CE2 4.01Å; E138-F205 HydrophobicContact CG-CE2 4.35Å; L202-F205 WeakPolarHBondContact O-CD1 3.35Å; L202-F205 PolarHBondContact O-N 3.36Å; Q203-F205 PolarHBondContact O-N 2.94Å; Q203-F205 VanDerWaalsContact O-N 3.12Å; F205-P207 VanDerWaalsContact C-CD 3.48Å; F205-G208 WeakPolarHBondContact O-CA 3.32Å; F205-G208 PolarHBondContact O-N 2.97Å; F205-L209 HydrophobicContact CE2-CB 4.37Å; F205-L209 HydrophobicContact CE2-CD2 4.02Å; F205-L209 HydrophobicContact CZ-CD2 4.49Å; F205-L209 PolarHBondContact O-N 2.95Å; F205-E257 HydrophobicContact CB-CB 4Å; F205-E257 HydrophobicContact CB-CG 4.12Å; F205-S261 PolarHBondContact O-OG 3.48Å
206F97.4Very high95.2Very high0 Ų018.3 Ų18.30%011%0.109CC..Hα-helixtrans-61.8-37.5-170-166.7-108.6000114.1L129 Y160 I163 Y184 Q203 G208 L209 Q210 L222L129-F206 HydrophobicContact CD1-CB 4.21Å; L129-F206 HydrophobicContact CD1-CD1 3.58Å; L129-F206 HydrophobicContact CD1-CD2 3.89Å; L129-F206 HydrophobicContact CD1-CE1 3.78Å; L129-F206 HydrophobicContact CD1-CE2 4.09Å; L129-F206 HydrophobicContact CD1-CG 3.63Å; L129-F206 HydrophobicContact CD1-CZ 4.03Å; L129-F206 HydrophobicContact CD2-CD2 3.95Å; L129-F206 HydrophobicContact CD2-CE2 3.75Å; L129-F206 HydrophobicContact CD2-CZ 4.18Å; L129-F206 HydrophobicContact CG-CD2 4.43Å; Y160-F206 HydrophobicContact CD2-CZ 4.14Å; Y160-F206 HydrophobicContact CE2-CE1 4.35Å; Y160-F206 AromaticContact CE2-CZ 3.75Å; Y160-F206 HydrophobicContact CE2-CZ 3.75Å; I163-F206 HydrophobicContact CD1-CE2 4.4Å; I163-F206 HydrophobicContact CG2-CE1 4.46Å; I163-F206 HydrophobicContact CG2-CZ 3.93Å; Y184-F206 HydrophobicContact CD1-CE1 4.45Å; Y184-F206 HydrophobicContact CE1-CE1 4.01Å; Y184-F206 HydrophobicContact CE2-CD1 4.4Å; Y184-F206 HydrophobicContact CE2-CE1 4.26Å; Y184-F206 AromaticContact CZ-CE1 3.9Å; Q203-F206 WeakPolarHBondContact O-CB 3.42Å; Q203-F206 PolarHBondContact O-N 3.29Å; Q203-F206 VanDerWaalsContact O-N 3.13Å; F206-G208 PolarHBondContact O-N 3.3Å; F206-L209 HydrophobicContact CD2-CB 4.43Å; F206-L209 HydrophobicContact CD2-CD2 4Å; F206-L209 HydrophobicContact CE2-CD2 4.02Å; F206-L209 CarbonylContact O-C 3.53Å; F206-L209 WeakPolarHBondContact O-CA 3.47Å; F206-L209 WeakPolarHBondContact O-CB 3.41Å; F206-L209 PolarHBondContact O-N 3.49Å; F206-Q210 HydrophobicContact CD1-CG 3.79Å; F206-Q210 HydrophobicContact CE1-CG 3.63Å; F206-Q210 HydrophobicContact CG-CG 4.5Å; F206-Q210 HydrophobicContact CZ-CG 4.21Å; F206-Q210 WeakPolarHBondContact O-CG 3.46Å; F206-Q210 PolarHBondContact O-N 2.92Å; F206-L222 HydrophobicContact CB-CD2 4.1Å; F206-L222 HydrophobicContact CD1-CD2 3.77Å; F206-L222 HydrophobicContact CG-CD2 4.43Å
207P97.4Very high95.1Very high1 Ų120 Ų201%0.00612%0.118CC..Hα-helixtrans-54.6-39.8170.4-23.432000112.9A204 F205 L209 Q210 V211 A219 L222 H223 L265A204-P207 WeakPolarHBondContact O-CD 3.12Å; F205-P207 VanDerWaalsContact C-CD 3.48Å; P207-L209 PolarHBondContact O-N 3.24Å; P207-Q210 WeakPolarHBondContact O-CB 3.39Å; P207-Q210 PolarHBondContact O-N 3.45Å; P207-V211 WeakPolarHBondContact O-CG2 3.39Å; P207-V211 PolarHBondContact O-N 2.91Å; P207-A219 HydrophobicContact CB-CB 4.2Å; P207-A219 WeakPolarHBondContact O-CB 3.46Å; P207-L222 HydrophobicContact CG-CB 4Å; P207-L222 HydrophobicContact CG-CD2 3.86Å; P207-L222 HydrophobicContact CG-CG 3.83Å; P207-H223 HydrophobicContact CB-CB 4.07Å; P207-H223 HydrophobicContact CG-CB 4.18Å; P207-L265 HydrophobicContact CB-CD1 4.48Å
208G96.9Very high95Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-59.8-43.617300000112.6F205 F206 V211 L212 S261F205-G208 WeakPolarHBondContact O-CA 3.32Å; F205-G208 PolarHBondContact O-N 2.97Å; F206-G208 PolarHBondContact O-N 3.3Å; G208-V211 WeakPolarHBondContact O-CB 3.49Å; G208-V211 PolarHBondContact O-N 3Å; G208-L212 WeakPolarHBondContact O-CG 3.46Å; G208-L212 PolarHBondContact O-N 3.44Å; G208-L212 VanDerWaalsContact O-N 3.09Å; G208-S261 PolarHBondContact N-OG 2.93Å
209L97Very high95Very high3 Ų317.1 Ų17.12%0.01610%0.104CC..Hα-helixtrans-64.6-40.3174.8-17559.8000112.5E138 L141 F156 F205 F206 P207 V211 L212 N213E138-L209 HydrophobicContact CG-CD1 4.47Å; L141-L209 HydrophobicContact CB-CD1 4.08Å; L141-L209 HydrophobicContact CD2-CD1 3.76Å; F156-L209 HydrophobicContact CE2-CD1 4.24Å; F156-L209 HydrophobicContact CE2-CD2 4.09Å; F156-L209 HydrophobicContact CE2-CG 4.22Å; F156-L209 HydrophobicContact CZ-CG 4.48Å; F205-L209 HydrophobicContact CE2-CB 4.37Å; F205-L209 HydrophobicContact CE2-CD2 4.02Å; F205-L209 HydrophobicContact CZ-CD2 4.49Å; F205-L209 PolarHBondContact O-N 2.95Å; F206-L209 HydrophobicContact CD2-CB 4.43Å; F206-L209 HydrophobicContact CD2-CD2 4Å; F206-L209 HydrophobicContact CE2-CD2 4.02Å; F206-L209 CarbonylContact O-C 3.53Å; F206-L209 WeakPolarHBondContact O-CA 3.47Å; F206-L209 WeakPolarHBondContact O-CB 3.41Å; F206-L209 PolarHBondContact O-N 3.49Å; P207-L209 PolarHBondContact O-N 3.24Å; L209-V211 VanDerWaalsContact C-N 3.32Å; L209-V211 PolarHBondContact O-N 3.36Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 3.49Å; L209-N213 PolarHBondContact O-N 3.43Å
210Q96.8Very high95Very high0 Ų017.4 Ų17.40%011%0.105CC..Hα-helixtrans-62-40.1174.7-69.9-177.7-62.700111.5Y160 Y184 F206 P207 L212 N213 G214 D215 D218 A219Y160-Q210 HydrophobicContact CE2-CG 4.13Å; Y160-Q210 PolarHBondContact OH-NE2 3.5Å; Y184-Q210 PolarHBondContact OH-NE2 3.46Å; F206-Q210 HydrophobicContact CD1-CG 3.79Å; F206-Q210 HydrophobicContact CE1-CG 3.63Å; F206-Q210 HydrophobicContact CG-CG 4.5Å; F206-Q210 HydrophobicContact CZ-CG 4.21Å; F206-Q210 WeakPolarHBondContact O-CG 3.46Å; F206-Q210 PolarHBondContact O-N 2.92Å; P207-Q210 WeakPolarHBondContact O-CB 3.39Å; P207-Q210 PolarHBondContact O-N 3.45Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; Q210-L212 PolarHBondContact O-N 2.91Å; Q210-N213 CarbonylContact O-C 3.5Å; Q210-N213 PolarHBondContact O-N 3.39Å; Q210-G214 PolarHBondContact O-N 2.93Å; Q210-D215 HydrophobicContact CB-CB 4.31Å; Q210-D215 PolarHBondContact O-N 3.21Å; Q210-D218 VanDerWaalsContact NE2-CB 3.31Å; Q210-A219 HydrophobicContact CB-CB 3.77Å
211V96.1Very high95Very high18 Ų1817.2 Ų17.211%0.10910%0.104CC..Hα-helixtrans-59.1-45.5172.31700000111.6P207 G208 L209 N213 G214 I216 A219 L264 L265 A268P207-V211 WeakPolarHBondContact O-CG2 3.39Å; P207-V211 PolarHBondContact O-N 2.91Å; G208-V211 WeakPolarHBondContact O-CB 3.49Å; G208-V211 PolarHBondContact O-N 3Å; L209-V211 VanDerWaalsContact C-N 3.32Å; L209-V211 PolarHBondContact O-N 3.36Å; V211-N213 VanDerWaalsContact C-N 3.27Å; V211-N213 PolarHBondContact O-N 3.24Å; V211-G214 PolarHBondContact O-N 3.1Å; V211-I216 HydrophobicContact CB-CD1 4.21Å; V211-I216 HydrophobicContact CG1-CD1 4.03Å; V211-I216 HydrophobicContact CG2-CD1 4.06Å; V211-A219 HydrophobicContact CG2-CB 3.85Å; V211-L264 HydrophobicContact CB-CB 4.48Å; V211-L264 HydrophobicContact CG1-CB 4.32Å; V211-L265 HydrophobicContact CG2-CD2 3.45Å; V211-L265 VanDerWaalsContact CG2-CD2 3.45Å; V211-L265 HydrophobicContact CG2-CG 3.76Å; V211-A268 HydrophobicContact CG1-CB 3.66Å
212L94.6Very high95Very high59 Ų5917.2 Ų17.231%0.30910%0.104SC..Hα-helixtrans-63.1-34.1177.3-67.7176.3000112.5L141 K142 G208 L209 Q210 G214L141-L212 HydrophobicContact CD2-CB 3.81Å; K142-L212 HydrophobicContact CG-CD1 4.49Å; G208-L212 WeakPolarHBondContact O-CG 3.46Å; G208-L212 PolarHBondContact O-N 3.44Å; G208-L212 VanDerWaalsContact O-N 3.09Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 3.49Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; Q210-L212 PolarHBondContact O-N 2.91Å; L212-G214 VanDerWaalsContact C-N 3.28Å
213N95.3Very high95.1Very high51 Ų5116.3 Ų16.327%0.27310%0.099SC..Hα-helixtrans-74.8-16.3173.7-174.348.4000113.3L141 F156 L209 Q210 V211L141-N213 HydrophobicContact CD2-CB 4.14Å; F156-N213 HydrophobicContact CE1-CB 4.1Å; F156-N213 WeakPolarHBondContact CE1-OD1 3.4Å; F156-N213 HydrophobicContact CZ-CB 4.12Å; L209-N213 PolarHBondContact O-N 3.43Å; Q210-N213 CarbonylContact O-C 3.5Å; Q210-N213 PolarHBondContact O-N 3.39Å; V211-N213 VanDerWaalsContact C-N 3.27Å; V211-N213 PolarHBondContact O-N 3.24Å
214G94.2Very high95.1Very high53 Ų5316.3 Ų16.355%0.54610%0.1SC..THydrogen-bonded Turntrans90.18.5-175.900000114.7Q210 V211 L212 I216Q210-G214 PolarHBondContact O-N 2.93Å; V211-G214 PolarHBondContact O-N 3.1Å; L212-G214 VanDerWaalsContact C-N 3.28Å; G214-I216 VanDerWaalsContact C-N 3.32Å; G214-I216 PolarHBondContact O-N 2.94Å; G214-I216 VanDerWaalsContact O-N 3.16Å
215D93.9Very high95Very high40 Ų4016.3 Ų16.321%0.21410%0.1CC..  trans-88.469.3175.7-166.1-9000110.8Y160 Q210 D217 D218 A219Y160-D215 WeakPolarHBondContact OH-CB 3.18Å; Y160-D215 PolarHBondContact OH-OD2 2.89Å; Q210-D215 HydrophobicContact CB-CB 4.31Å; Q210-D215 PolarHBondContact O-N 3.21Å; D215-D217 VanDerWaalsContact C-N 3.31Å; D215-D217 PolarHBondContact O-N 3.09Å; D215-D218 PolarHBondContact OD1-N 2.69Å; D215-A219 WeakPolarHBondContact O-CB 3.34Å; D215-A219 PolarHBondContact O-N 2.92Å
216I92.3Very high95Very high22 Ų2216.1 Ų16.111%0.11310%0.099CC..Hα-helixtrans-68.3-32.4-172.9-51.1-55.1000111.8V211 G214 I220 A268 T269 I396V211-I216 HydrophobicContact CB-CD1 4.21Å; V211-I216 HydrophobicContact CG1-CD1 4.03Å; V211-I216 HydrophobicContact CG2-CD1 4.06Å; G214-I216 VanDerWaalsContact C-N 3.32Å; G214-I216 PolarHBondContact O-N 2.94Å; G214-I216 VanDerWaalsContact O-N 3.16Å; I216-I220 HydrophobicContact CG2-CD1 3.93Å; I216-I220 HydrophobicContact CG2-CG1 4.35Å; I216-I220 WeakPolarHBondContact O-CD1 3.5Å; I216-I220 WeakPolarHBondContact O-CG1 3.3Å; I216-I220 PolarHBondContact O-N 3.02Å; I216-A268 HydrophobicContact CD1-CB 4.19Å; I216-T269 HydrophobicContact CG2-CG2 3.97Å; I216-I396 HydrophobicContact CG1-CD1 4.3Å; I216-I396 HydrophobicContact CG2-CD1 4.42Å
217D90.2Very high94.9Very high55 Ų5516.7 Ų16.729%0.29410%0.101SC..Hα-helixtrans-71.1-46.9-174.2-80.1-58.5000112.2C174 D215 A219 I220 C221 R400C174-D217 HydrophobicContact CB-CB 4.45Å; C174-D217 WeakPolarHBondContact CB-O 3.4Å; C174-D217 PolarHBondContact SG-O 3.15Å; D215-D217 VanDerWaalsContact C-N 3.31Å; D215-D217 PolarHBondContact O-N 3.09Å; D217-A219 VanDerWaalsContact C-N 3.31Å; D217-A219 PolarHBondContact O-N 3.48Å; D217-I220 PolarHBondContact O-N 2.98Å; D217-C221 PolarHBondContact O-N 3.21Å; D217-R400 VanDerWaalsContact CG-NH1 3.35Å; D217-R400 IonicContact OD1-CZ 3.76Å; D217-R400 IonicContact OD1-NH1 2.96Å; D217-R400 PolarHBondContact OD1-NH1 3.04Å; D217-R400 VanDerWaalsContact OD1-NH1 3.11Å; D217-R400 IonicContact OD1-NH2 3.43Å; D217-R400 PolarHBondContact OD1-NH2 3.19Å; D217-R400 IonicContact OD2-CZ 2.7Å; D217-R400 IonicContact OD2-NH1 2.89Å; D217-R400 PolarHBondContact OD2-NH1 3.41Å; D217-R400 IonicContact OD2-NH2 2.68Å; D217-R400 PolarHBondContact OD2-NH2 2.97Å
218D92.1Very high94.8Very high17 Ų1716.7 Ų16.79%0.09110%0.101CC..Hα-helixtrans-68.2-34.2174.9-83.6-20.4000111.9R168 Q210 D215 I220 C221 L222R168-D218 IonicContact CZ-OD1 3.64Å; R168-D218 IonicContact CZ-OD2 3.87Å; R168-D218 IonicContact NE-OD1 3.85Å; R168-D218 PolarHBondContact NE-OD1 3.47Å; R168-D218 IonicContact NE-OD2 3.85Å; R168-D218 PolarHBondContact NE-OD2 3.3Å; R168-D218 IonicContact NH2-OD1 3.05Å; R168-D218 PolarHBondContact NH2-OD1 3.19Å; R168-D218 IonicContact NH2-OD2 3.84Å; Q210-D218 VanDerWaalsContact NE2-CB 3.31Å; D215-D218 PolarHBondContact OD1-N 2.69Å; D218-I220 VanDerWaalsContact C-N 3.35Å; D218-I220 PolarHBondContact O-N 2.82Å; D218-C221 PolarHBondContact O-N 2.97Å; D218-L222 PolarHBondContact O-N 2.99Å
219A95.1Very high94.8Very high0 Ų016.8 Ų16.80%010%0.101CC..Hα-helixtrans-58-45.8174.500000112.1P207 Q210 V211 D215 D217 C221 H223 L265P207-A219 HydrophobicContact CB-CB 4.2Å; P207-A219 WeakPolarHBondContact O-CB 3.46Å; Q210-A219 HydrophobicContact CB-CB 3.77Å; V211-A219 HydrophobicContact CG2-CB 3.85Å; D215-A219 WeakPolarHBondContact O-CB 3.34Å; D215-A219 PolarHBondContact O-N 2.92Å; D217-A219 VanDerWaalsContact C-N 3.31Å; D217-A219 PolarHBondContact O-N 3.48Å; A219-C221 VanDerWaalsContact C-N 3.31Å; A219-C221 PolarHBondContact O-N 3.5Å; A219-H223 WeakPolarHBondContact O-CB 3.39Å; A219-H223 PolarHBondContact O-N 2.8Å; A219-L265 HydrophobicContact CB-CD2 3.93Å
220I93.9Very high94.8Very high7 Ų716.8 Ų16.84%0.03610%0.101CC..Hα-helixtrans-57.9-45.6177.1-71.8163.1000110.8I216 D217 D218 A224 L265 Y274 P405 L406I216-I220 HydrophobicContact CG2-CD1 3.93Å; I216-I220 HydrophobicContact CG2-CG1 4.35Å; I216-I220 WeakPolarHBondContact O-CD1 3.5Å; I216-I220 WeakPolarHBondContact O-CG1 3.3Å; I216-I220 PolarHBondContact O-N 3.02Å; D217-I220 PolarHBondContact O-N 2.98Å; D218-I220 VanDerWaalsContact C-N 3.35Å; D218-I220 PolarHBondContact O-N 2.82Å; I220-A224 VanDerWaalsContact O-CB 3.31Å; I220-A224 WeakPolarHBondContact O-CB 3.4Å; I220-A224 PolarHBondContact O-N 3.02Å; I220-L265 HydrophobicContact CG1-CD2 4.12Å; I220-Y274 WeakPolarHBondContact CG1-OH 3.24Å; I220-P405 HydrophobicContact CD1-CB 4.45Å; I220-P405 HydrophobicContact CG1-CB 4.38Å; I220-P405 HydrophobicContact CG2-CB 3.57Å; I220-L406 HydrophobicContact CG2-CD1 4.45Å; I220-L406 HydrophobicContact CG2-CD2 4.03Å; I220-L406 HydrophobicContact CG2-CG 3.79Å
221C92.6Very high94.7Very high2 Ų220.7 Ų20.71%0.01412%0.118CC..Hα-helixtrans-66.1-49.6-177.3-980000112.8C174 P182 D217 D218 A219 H223 A224 F225C174-C221 VanDerWaalsContact C-SG 3.56Å; C174-C221 WeakPolarHBondContact CA-SG 3.29Å; C174-C221 HydrophobicContact CB-CB 3.87Å; C174-C221 WeakPolarHBondContact CB-SG 3.42Å; C174-C221 PolarHBondContact O-SG 3.39Å; C174-C221 VanDerWaalsContact O-SG 3.33Å; C174-C221 VanDerWaalsContact SG-CA 3.56Å; C174-C221 WeakPolarHBondContact SG-CB 2.89Å; C174-C221 CovalentContact SG-SG 2.02Å; C174-C221 PolarHBondContact SG-SG 3.26Å; P182-C221 HydrophobicContact CG-CB 4.33Å; D217-C221 PolarHBondContact O-N 3.21Å; D218-C221 PolarHBondContact O-N 2.97Å; A219-C221 VanDerWaalsContact C-N 3.31Å; A219-C221 PolarHBondContact O-N 3.5Å; C221-H223 VanDerWaalsContact C-N 3.34Å; C221-A224 PolarHBondContact O-N 2.98Å; C221-F225 PolarHBondContact O-N 3.39Å; C221-F225 VanDerWaalsContact O-N 3.12Å
222L94.9Very high94.6Very high3 Ų324.7 Ų24.72%0.01613%0.131CC..Hα-helixtrans-66.3-39.7-178.7-176.761.6000111Y184 F206 P207 D218 F225 Y226Y184-L222 HydrophobicContact CD2-CD1 3.91Å; Y184-L222 HydrophobicContact CD2-CD2 3.66Å; Y184-L222 HydrophobicContact CD2-CG 4.31Å; Y184-L222 HydrophobicContact CE2-CD1 4.46Å; Y184-L222 HydrophobicContact CE2-CD2 3.82Å; Y184-L222 HydrophobicContact CE2-CG 4.5Å; F206-L222 HydrophobicContact CB-CD2 4.1Å; F206-L222 HydrophobicContact CD1-CD2 3.77Å; F206-L222 HydrophobicContact CG-CD2 4.43Å; P207-L222 HydrophobicContact CG-CB 4Å; P207-L222 HydrophobicContact CG-CD2 3.86Å; P207-L222 HydrophobicContact CG-CG 3.83Å; D218-L222 PolarHBondContact O-N 2.99Å; L222-F225 WeakPolarHBondContact O-CB 3.21Å; L222-F225 PolarHBondContact O-N 2.84Å; L222-Y226 HydrophobicContact CD1-CD2 4.19Å; L222-Y226 HydrophobicContact CD1-CE2 3.64Å; L222-Y226 HydrophobicContact CD2-CE2 4.47Å; L222-Y226 HydrophobicContact CG-CD2 4.18Å; L222-Y226 HydrophobicContact CG-CE2 3.86Å; L222-Y226 VanDerWaalsContact O-CD2 3.29Å; L222-Y226 WeakPolarHBondContact O-CD2 3.29Å; L222-Y226 PolarHBondContact O-N 3.08Å
223H96.7Very high94.7Very high1 Ų123 Ų231%0.00512%0.121CC..Hα-helixtrans-60-46.8173.7175-86.1000112.1P207 A219 C221 F225 Y226 Y227 T262 L265 Y274P207-H223 HydrophobicContact CB-CB 4.07Å; P207-H223 HydrophobicContact CG-CB 4.18Å; A219-H223 WeakPolarHBondContact O-CB 3.39Å; A219-H223 PolarHBondContact O-N 2.8Å; C221-H223 VanDerWaalsContact C-N 3.34Å; H223-F225 PolarHBondContact O-N 3.19Å; H223-Y226 PolarHBondContact O-N 2.74Å; H223-Y227 WeakPolarHBondContact O-CB 3.07Å; H223-Y227 PolarHBondContact O-N 3.4Å; H223-T262 PolarHBondContact NE2-OG1 2.96Å; H223-L265 HydrophobicContact CB-CD1 3.44Å; H223-L265 VanDerWaalsContact CB-CD1 3.44Å; H223-L265 VanDerWaalsContact CG-CD1 3.45Å; H223-Y274 AromaticContact CE1-CD1 3.82Å; H223-Y274 AromaticContact CE1-CE1 3.76Å; H223-Y274 AromaticContact ND1-CE1 3.69Å
224A95.2Very high94.6Very high2 Ų221.1 Ų21.12%0.01712%0.115CC..Hα-helixtrans-60.3-35179.100000112.3I220 C221 Y227 A228 L406 M411 I414I220-A224 VanDerWaalsContact O-CB 3.31Å; I220-A224 WeakPolarHBondContact O-CB 3.4Å; I220-A224 PolarHBondContact O-N 3.02Å; C221-A224 PolarHBondContact O-N 2.98Å; A224-Y227 PolarHBondContact O-N 2.85Å; A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 2.87Å; A224-L406 HydrophobicContact CB-CD1 3.34Å; A224-M411 HydrophobicContact CB-SD 4.32Å; A224-I414 HydrophobicContact CB-CD1 3.77Å
225F94.9Very high94.7Very high1 Ų118.6 Ų18.60%0.0049%0.089CC..Hα-helixtrans-63-50.5174.4178.2-89.1000112.3L183 I199 C221 L222 H223 Y227 A228 I229 Y240 I414 M417 V418L183-F225 HydrophobicContact CD1-CD1 4.07Å; L183-F225 HydrophobicContact CD1-CE1 3.78Å; L183-F225 HydrophobicContact CD1-CE2 4.49Å; L183-F225 HydrophobicContact CD1-CZ 4Å; I199-F225 HydrophobicContact CD1-CD1 4.36Å; I199-F225 HydrophobicContact CD1-CE1 3.38Å; I199-F225 HydrophobicContact CD1-CZ 4.08Å; C221-F225 PolarHBondContact O-N 3.39Å; C221-F225 VanDerWaalsContact O-N 3.12Å; L222-F225 WeakPolarHBondContact O-CB 3.21Å; L222-F225 PolarHBondContact O-N 2.84Å; H223-F225 PolarHBondContact O-N 3.19Å; F225-Y227 VanDerWaalsContact C-N 3.33Å; F225-Y227 PolarHBondContact O-N 3.35Å; F225-A228 PolarHBondContact O-N 3.33Å; F225-I229 HydrophobicContact CD1-CD1 4.18Å; F225-I229 HydrophobicContact CE1-CD1 3.57Å; F225-I229 HydrophobicContact CE1-CG1 4.45Å; F225-I229 HydrophobicContact CZ-CD1 4.06Å; F225-I229 PolarHBondContact O-N 3.36Å; F225-Y240 HydrophobicContact CZ-CD1 4.43Å; F225-Y240 HydrophobicContact CZ-CE1 4.27Å; F225-I414 HydrophobicContact CB-CG2 4.3Å; F225-I414 HydrophobicContact CD2-CG2 4.36Å; F225-M417 HydrophobicContact CD2-SD 4.06Å; F225-M417 HydrophobicContact CE2-CE 3.98Å; F225-M417 HydrophobicContact CE2-CG 4.11Å; F225-M417 HydrophobicContact CE2-SD 3.7Å; F225-V418 HydrophobicContact CD2-CG1 3.99Å; F225-V418 HydrophobicContact CE2-CG1 3.66Å; F225-V418 HydrophobicContact CZ-CG1 4.09Å
226Y96.7Very high94.8Very high4 Ų416.9 Ų16.92%0.0168%0.08CC..Hα-helixtrans-64.5-37.4175.2-75.3-71.2000112.6I199 Q203 A204 L222 H223 A228 I229 W230 L236I199-Y226 HydrophobicContact CD1-CE1 3.88Å; Q203-Y226 WeakPolarHBondContact CB-OH 3.41Å; Q203-Y226 PolarHBondContact OE1-OH 3.09Å; A204-Y226 HydrophobicContact CB-CD1 3.97Å; A204-Y226 HydrophobicContact CB-CD2 3.96Å; A204-Y226 HydrophobicContact CB-CE1 4.3Å; A204-Y226 HydrophobicContact CB-CE2 4.29Å; A204-Y226 HydrophobicContact CB-CG 3.82Å; L222-Y226 HydrophobicContact CD1-CD2 4.19Å; L222-Y226 HydrophobicContact CD1-CE2 3.64Å; L222-Y226 HydrophobicContact CD2-CE2 4.47Å; L222-Y226 HydrophobicContact CG-CD2 4.18Å; L222-Y226 HydrophobicContact CG-CE2 3.86Å; L222-Y226 VanDerWaalsContact O-CD2 3.29Å; L222-Y226 WeakPolarHBondContact O-CD2 3.29Å; L222-Y226 PolarHBondContact O-N 3.08Å; H223-Y226 PolarHBondContact O-N 2.74Å; Y226-A228 VanDerWaalsContact C-N 3.3Å; Y226-A228 PolarHBondContact O-N 2.95Å; Y226-I229 HydrophobicContact CD1-CD1 4.38Å; Y226-I229 WeakPolarHBondContact O-CB 3.5Å; Y226-I229 PolarHBondContact O-N 2.98Å; Y226-W230 PolarHBondContact O-N 3.13Å; Y226-L236 HydrophobicContact CD1-CD1 4.26Å; Y226-L236 HydrophobicContact CD1-CD2 4.27Å; Y226-L236 WeakPolarHBondContact O-CD2 3.47Å
227Y96.8Very high95Very high12 Ų1216 Ų165%0.0478%0.075CC..Hα-helixtrans-63.2-36.1175.2177.3-123.7000112.3H223 A224 F225 W230 K231 F273 V277 D280 M411H223-Y227 WeakPolarHBondContact O-CB 3.07Å; H223-Y227 PolarHBondContact O-N 3.4Å; A224-Y227 PolarHBondContact O-N 2.85Å; F225-Y227 VanDerWaalsContact C-N 3.33Å; F225-Y227 PolarHBondContact O-N 3.35Å; Y227-W230 HydrophobicContact CD2-CB 4.49Å; Y227-W230 CarbonylContact O-C 3.6Å; Y227-W230 WeakPolarHBondContact O-CB 3.33Å; Y227-W230 PolarHBondContact O-N 2.88Å; Y227-K231 HydrophobicContact CD1-CD 4.36Å; Y227-K231 HydrophobicContact CD1-CG 4.47Å; Y227-K231 HydrophobicContact CD2-CG 4.37Å; Y227-K231 HydrophobicContact CE1-CD 3.71Å; Y227-K231 HydrophobicContact CE1-CG 4Å; Y227-K231 HydrophobicContact CE2-CD 4.48Å; Y227-K231 HydrophobicContact CE2-CG 3.87Å; Y227-K231 PolarHBondContact O-N 2.89Å; Y227-F273 AromaticContact CD1-CZ 3.88Å; Y227-F273 HydrophobicContact CD1-CZ 3.88Å; Y227-F273 HydrophobicContact CE1-CE2 4.3Å; Y227-F273 AromaticContact CE1-CZ 3.82Å; Y227-F273 HydrophobicContact CE1-CZ 3.82Å; Y227-V277 HydrophobicContact CD1-CG2 3.97Å; Y227-V277 HydrophobicContact CD2-CB 4.24Å; Y227-V277 HydrophobicContact CD2-CG1 3.55Å; Y227-V277 HydrophobicContact CD2-CG2 3.97Å; Y227-V277 HydrophobicContact CE1-CG2 3.77Å; Y227-V277 HydrophobicContact CE2-CB 4Å; Y227-V277 HydrophobicContact CE2-CG1 3.72Å; Y227-V277 HydrophobicContact CE2-CG2 3.78Å; Y227-V277 HydrophobicContact CG-CG1 4.19Å; Y227-V277 HydrophobicContact CG-CG2 4.04Å; Y227-D280 HydrophobicContact CE2-CB 4.48Å; Y227-D280 PolarHBondContact OH-OD2 2.79Å; Y227-M411 HydrophobicContact CD1-CE 4.09Å; Y227-M411 HydrophobicContact CE1-CE 4.33Å
228A95.6Very high95.3Very high0 Ų014.8 Ų14.80%07%0.068CC..Hα-helixtrans-66.4-37.9175.700000112.2A224 F225 Y226 W230 K231 R232 I414 V418A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 2.87Å; F225-A228 PolarHBondContact O-N 3.33Å; Y226-A228 VanDerWaalsContact C-N 3.3Å; Y226-A228 PolarHBondContact O-N 2.95Å; A228-W230 VanDerWaalsContact C-N 3.34Å; A228-K231 PolarHBondContact O-N 3.02Å; A228-R232 PolarHBondContact O-N 3.13Å; A228-R232 VanDerWaalsContact O-N 3.11Å; A228-I414 HydrophobicContact CB-CG2 3.62Å; A228-V418 HydrophobicContact CB-CB 4.41Å; A228-V418 HydrophobicContact CB-CG1 4.18Å; A228-V418 HydrophobicContact CB-CG2 3.46Å; A228-V418 VanDerWaalsContact CB-CG2 3.46Å
229I96.1Very high95.5Very high2 Ų218.3 Ų18.31%0.018%0.08CC..Hα-helixtrans-60.5-45.7170.1-60.3172.9000110I199 F225 Y226 K231 R232 F233 L236 P237 Y240 V418I199-I229 HydrophobicContact CD1-CD1 4.35Å; F225-I229 HydrophobicContact CD1-CD1 4.18Å; F225-I229 HydrophobicContact CE1-CD1 3.57Å; F225-I229 HydrophobicContact CE1-CG1 4.45Å; F225-I229 HydrophobicContact CZ-CD1 4.06Å; F225-I229 PolarHBondContact O-N 3.36Å; Y226-I229 HydrophobicContact CD1-CD1 4.38Å; Y226-I229 WeakPolarHBondContact O-CB 3.5Å; Y226-I229 PolarHBondContact O-N 2.98Å; I229-K231 PolarHBondContact O-N 3.05Å; I229-R232 PolarHBondContact O-N 3.11Å; I229-F233 HydrophobicContact CG2-CD2 3.8Å; I229-F233 HydrophobicContact CG2-CE2 4.19Å; I229-F233 WeakPolarHBondContact O-CD2 3.26Å; I229-F233 PolarHBondContact O-N 3.38Å; I229-L236 HydrophobicContact CB-CD2 3.85Å; I229-L236 HydrophobicContact CG2-CD2 3.73Å; I229-P237 HydrophobicContact CG2-CG 4.2Å; I229-Y240 HydrophobicContact CD1-CD1 3.54Å; I229-Y240 HydrophobicContact CD1-CD2 4.36Å; I229-Y240 HydrophobicContact CD1-CE1 3.94Å; I229-Y240 HydrophobicContact CD1-CG 3.76Å; I229-Y240 HydrophobicContact CG1-CD1 4.27Å; I229-Y240 HydrophobicContact CG1-CE1 4.23Å; I229-Y240 HydrophobicContact CG1-CG 4.43Å; I229-Y240 HydrophobicContact CG2-CD2 4.27Å; I229-V418 HydrophobicContact CG1-CB 4.24Å; I229-V418 HydrophobicContact CG1-CG1 3.7Å
230W96.8Very high95.5Very high4 Ų418.5 Ų18.52%0.0158%0.08CC..Hα-helixtrans-59.4-46.2176.1-171.7-74.8000112Y226 Y227 A228 R232 F233 G234 L236 Y252 L258 I281 S284 L285Y226-W230 PolarHBondContact O-N 3.13Å; Y227-W230 HydrophobicContact CD2-CB 4.49Å; Y227-W230 CarbonylContact O-C 3.6Å; Y227-W230 WeakPolarHBondContact O-CB 3.33Å; Y227-W230 PolarHBondContact O-N 2.88Å; A228-W230 VanDerWaalsContact C-N 3.34Å; W230-R232 PolarHBondContact O-N 3.38Å; W230-F233 PolarHBondContact O-N 3.35Å; W230-G234 WeakPolarHBondContact O-CA 3.41Å; W230-G234 PolarHBondContact O-N 3.26Å; W230-L236 HydrophobicContact CB-CD2 4.49Å; W230-L236 HydrophobicContact CE3-CG 3.97Å; W230-Y252 HydrophobicContact CH2-CE1 4.17Å; W230-Y252 AromaticContact CH2-CZ 3.81Å; W230-Y252 WeakPolarHBondContact CH2-OH 3.42Å; W230-Y252 HydrophobicContact CZ3-CE1 4.46Å; W230-Y252 HydrophobicContact CZ3-CE2 4.1Å; W230-Y252 AromaticContact CZ3-CZ 3.76Å; W230-L258 HydrophobicContact CB-CD2 3.92Å; W230-L258 HydrophobicContact CD2-CD2 4.13Å; W230-L258 HydrophobicContact CE3-CD2 3.68Å; W230-L258 HydrophobicContact CG-CD2 4.22Å; W230-I281 HydrophobicContact CD2-CG1 3.93Å; W230-I281 HydrophobicContact CE3-CG1 4.42Å; W230-I281 HydrophobicContact CG-CG1 4.3Å; W230-I281 HydrophobicContact CH2-CG1 4.47Å; W230-I281 HydrophobicContact CH2-CG2 3.86Å; W230-I281 HydrophobicContact CZ2-CB 3.97Å; W230-I281 HydrophobicContact CZ2-CG1 3.95Å; W230-I281 HydrophobicContact CZ2-CG2 3.66Å; W230-S284 PolarHBondContact NE1-OG 2.68Å; W230-L285 HydrophobicContact CH2-CD2 4.33Å; W230-L285 HydrophobicContact CH2-CG 4.48Å; W230-L285 HydrophobicContact CZ2-CG 4.48Å
231K95.3Very high95.5Very high82 Ų8218.4 Ų18.436%0.3578%0.08SC..Hα-helixtrans-57.7-38.7177.3-78.8-169.1-68.2158.40112Y227 A228 I229 D415Y227-K231 HydrophobicContact CD1-CD 4.36Å; Y227-K231 HydrophobicContact CD1-CG 4.47Å; Y227-K231 HydrophobicContact CD2-CG 4.37Å; Y227-K231 HydrophobicContact CE1-CD 3.71Å; Y227-K231 HydrophobicContact CE1-CG 4Å; Y227-K231 HydrophobicContact CE2-CD 4.48Å; Y227-K231 HydrophobicContact CE2-CG 3.87Å; Y227-K231 PolarHBondContact O-N 2.89Å; A228-K231 PolarHBondContact O-N 3.02Å; I229-K231 PolarHBondContact O-N 3.05Å; K231-D415 IonicContact NZ-OD1 3.94Å; K231-D415 PolarHBondContact NZ-OD1 3.2Å; K231-D415 IonicContact NZ-OD2 3.21Å
232R94.4Very high95.5Very high101 Ų10120.6 Ų20.638%0.3819%0.088SC..Hα-helixtrans-69.8-48.6-179.5-169171.7178.8-155.6-5.2112.5A228 I229 W230 K245 V418 G419 V420A228-R232 PolarHBondContact O-N 3.13Å; A228-R232 VanDerWaalsContact O-N 3.11Å; I229-R232 PolarHBondContact O-N 3.11Å; W230-R232 PolarHBondContact O-N 3.38Å; R232-K245 PolarHBondContact NH1-O 3.29Å; R232-V418 WeakPolarHBondContact CD-O 3.47Å; R232-V418 PolarHBondContact NH1-O 3.4Å; R232-G419 PolarHBondContact NE-O 3.29Å; R232-G419 VanDerWaalsContact NE-O 3.13Å; R232-V420 HydrophobicContact CB-CG2 3.61Å; R232-V420 HydrophobicContact CG-CG2 3.95Å
233F95.1Very high95.3Very high23 Ų2325.8 Ų25.810%0.10111%0.112CC..Hα-helixtrans-102.9-9.6-170.8-61.9-70.2000113.6I229 W230 A235 Y240 P247 V301 V302 K304I229-F233 HydrophobicContact CG2-CD2 3.8Å; I229-F233 HydrophobicContact CG2-CE2 4.19Å; I229-F233 WeakPolarHBondContact O-CD2 3.26Å; I229-F233 PolarHBondContact O-N 3.38Å; W230-F233 PolarHBondContact O-N 3.35Å; F233-A235 WeakPolarHBondContact CB-O 3.22Å; F233-A235 PolarHBondContact O-N 2.84Å; F233-Y240 HydrophobicContact CE2-CD2 4.24Å; F233-Y240 AromaticContact CE2-CE2 3.82Å; F233-Y240 HydrophobicContact CE2-CE2 3.82Å; F233-Y240 HydrophobicContact CZ-CE2 4.35Å; F233-P247 HydrophobicContact CD1-CG 4.44Å; F233-P247 HydrophobicContact CE1-CG 3.93Å; F233-P247 HydrophobicContact CE2-CG 4.24Å; F233-P247 HydrophobicContact CZ-CG 3.83Å; F233-V301 HydrophobicContact CB-CB 4.44Å; F233-V301 HydrophobicContact CB-CG2 4.4Å; F233-V302 HydrophobicContact CD1-CG2 4.22Å; F233-V302 HydrophobicContact CE1-CG2 4.28Å; F233-K304 PolarHBondContact O-NZ 3.41Å
234G94.9Very high95.1Very high13 Ų1331.5 Ų31.513%0.13414%0.142CC..SBendtrans62.517.8-173.100000114.6W230 S284 N288W230-G234 WeakPolarHBondContact O-CA 3.41Å; W230-G234 PolarHBondContact O-N 3.26Å; G234-S284 WeakPolarHBondContact O-CB 3.2Å; G234-N288 PolarHBondContact O-ND2 3.48Å
235A95.9Very high94.9Very high0 Ų034.6 Ų34.60%016%0.155CC..SBendtrans-173.6158.2175.100000107.8F233 Y252 L298 V301F233-A235 WeakPolarHBondContact CB-O 3.22Å; F233-A235 PolarHBondContact O-N 2.84Å; A235-Y252 HydrophobicContact CB-CD1 3.72Å; A235-Y252 HydrophobicContact CB-CD2 4.47Å; A235-Y252 HydrophobicContact CB-CE1 4.21Å; A235-Y252 HydrophobicContact CB-CG 3.86Å; A235-L298 HydrophobicContact CB-CD1 3.81Å; A235-V301 HydrophobicContact CB-CB 4.39Å; A235-V301 HydrophobicContact CB-CG1 3.69Å
236L96.4Very high94.9Very high4 Ų436.2 Ų36.22%0.02117%0.169CC..  trans-84.7124.2170.1-71.3179.6000110A204 Y226 I229 W230 Y252 L258A204-L236 HydrophobicContact CB-CD1 4.06Å; Y226-L236 HydrophobicContact CD1-CD1 4.26Å; Y226-L236 HydrophobicContact CD1-CD2 4.27Å; Y226-L236 WeakPolarHBondContact O-CD2 3.47Å; I229-L236 HydrophobicContact CB-CD2 3.85Å; I229-L236 HydrophobicContact CG2-CD2 3.73Å; W230-L236 HydrophobicContact CB-CD2 4.49Å; W230-L236 HydrophobicContact CE3-CG 3.97Å; L236-Y252 HydrophobicContact CB-CD2 4.39Å; L236-Y252 HydrophobicContact CB-CE2 4.47Å; L236-Y252 WeakPolarHBondContact O-CB 3.49Å; L236-Y252 WeakPolarHBondContact O-CD2 3.45Å; L236-L258 HydrophobicContact CD1-CB 3.94Å; L236-L258 HydrophobicContact CD1-CD2 4.21Å; L236-L258 HydrophobicContact CG-CD2 4.4Å
237P96.5Very high94.8Very high3 Ų337.2 Ų37.22%0.01918%0.176CC..  trans-63.9143.1165.428.5-33000110S201 I229 R239 Y240 P247 V249 V301S201-P237 WeakPolarHBondContact CB-O 3.18Å; I229-P237 HydrophobicContact CG2-CG 4.2Å; P237-R239 PolarHBondContact O-N 2.85Å; P237-R239 VanDerWaalsContact O-N 3.15Å; P237-Y240 HydrophobicContact CG-CD2 4.12Å; P237-P247 HydrophobicContact CB-CB 3.61Å; P237-P247 HydrophobicContact CB-CG 4.05Å; P237-P247 HydrophobicContact CG-CB 4.02Å; P237-P247 HydrophobicContact CG-CG 4.09Å; P237-V249 WeakPolarHBondContact CB-O 3.38Å; P237-V301 HydrophobicContact CB-CG2 3.99Å
238E95.3Very high94.6Very high30 Ų3040 Ų4014%0.1419%0.192CC..SBendtrans-52.9-37.8179.1-171.170.5-173.900112D200 S201 V249 F251 P253 R255D200-E238 CarbonylContact C-O 3.58Å; D200-E238 VanDerWaalsContact CA-O 3.27Å; D200-E238 WeakPolarHBondContact CA-O 3.03Å; S201-E238 PolarHBondContact N-O 2.89Å; E238-V249 HydrophobicContact CB-CB 4.01Å; E238-V249 HydrophobicContact CB-CG1 3.72Å; E238-V249 HydrophobicContact CG-CG1 4.15Å; E238-V249 PolarHBondContact N-O 2.88Å; E238-V249 VanDerWaalsContact N-O 3.11Å; E238-F251 HydrophobicContact CB-CB 4.29Å; E238-F251 WeakPolarHBondContact CB-O 3.28Å; E238-F251 PolarHBondContact N-O 2.85Å; E238-P253 WeakPolarHBondContact OE2-CD 3.37Å; E238-R255 IonicContact OE1-CZ 3.56Å; E238-R255 IonicContact OE1-NE 2.81Å; E238-R255 PolarHBondContact OE1-NE 3.28Å; E238-R255 IonicContact OE1-NH2 3.68Å; E238-R255 PolarHBondContact OE1-NH2 3.19Å; E238-R255 IonicContact OE2-CZ 3.67Å; E238-R255 IonicContact OE2-NE 2.87Å; E238-R255 PolarHBondContact OE2-NE 3.06Å; E238-R255 IonicContact OE2-NH2 3.37Å; E238-R255 PolarHBondContact OE2-NH2 3.3Å
239R95.8Very high94.6Very high90 Ų9042.6 Ų42.634%0.3421%0.208SC..EExtended strand (participates in β ladder)trans-133.5131168.3-68.5-175.3176.8154.43.2111.8W198 I199 D200 P237 P247 D248 V249W198-R239 HydrophobicContact CE3-CG 4.15Å; I199-R239 CarbonylContact O-C 3.59Å; I199-R239 VanDerWaalsContact O-CA 3.3Å; I199-R239 WeakPolarHBondContact O-CA 3.09Å; D200-R239 WeakPolarHBondContact OD1-CG 3.46Å; D200-R239 IonicContact OD1-CZ 3.56Å; D200-R239 IonicContact OD1-NE 2.79Å; D200-R239 PolarHBondContact OD1-NE 3.19Å; D200-R239 IonicContact OD1-NH2 3.35Å; P237-R239 PolarHBondContact O-N 2.85Å; P237-R239 VanDerWaalsContact O-N 3.15Å; R239-P247 CarbonylContact O-C 3.57Å; R239-P247 WeakPolarHBondContact O-CA 3.38Å; R239-D248 HydrophobicContact CB-CB 4.16Å; R239-D248 PolarHBondContact O-N 2.9Å; R239-V249 HydrophobicContact CB-CB 3.92Å; R239-V249 HydrophobicContact CB-CG2 3.94Å; R239-V249 HydrophobicContact CG-CB 4.26Å; R239-V249 HydrophobicContact CG-CG2 4.06Å; R239-V249 PolarHBondContact N-O 3.5Å; R239-V249 PolarHBondContact O-N 2.99Å
240Y95.7Very high94.5Very high4 Ų445 Ų452%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-115.5128.5176.5-176.5-103.6000110.9W198 I199 F225 I229 F233 P237 W242 K245 V418W198-Y240 CarbonylContact C-O 3.56Å; W198-Y240 WeakPolarHBondContact CA-O 3.5Å; I199-Y240 HydrophobicContact CD1-CD1 4.3Å; I199-Y240 HydrophobicContact CG1-CD1 4.45Å; I199-Y240 WeakPolarHBondContact CG1-O 3.38Å; I199-Y240 PolarHBondContact N-O 3.29Å; I199-Y240 PolarHBondContact O-N 3.39Å; F225-Y240 HydrophobicContact CZ-CD1 4.43Å; F225-Y240 HydrophobicContact CZ-CE1 4.27Å; I229-Y240 HydrophobicContact CD1-CD1 3.54Å; I229-Y240 HydrophobicContact CD1-CD2 4.36Å; I229-Y240 HydrophobicContact CD1-CE1 3.94Å; I229-Y240 HydrophobicContact CD1-CG 3.76Å; I229-Y240 HydrophobicContact CG1-CD1 4.27Å; I229-Y240 HydrophobicContact CG1-CE1 4.23Å; I229-Y240 HydrophobicContact CG1-CG 4.43Å; I229-Y240 HydrophobicContact CG2-CD2 4.27Å; F233-Y240 HydrophobicContact CE2-CD2 4.24Å; F233-Y240 AromaticContact CE2-CE2 3.82Å; F233-Y240 HydrophobicContact CE2-CE2 3.82Å; F233-Y240 HydrophobicContact CZ-CE2 4.35Å; P237-Y240 HydrophobicContact CG-CD2 4.12Å; Y240-W242 HydrophobicContact CE1-CB 4.45Å; Y240-K245 WeakPolarHBondContact OH-CA 3.4Å; Y240-V418 WeakPolarHBondContact OH-CA 3.17Å; Y240-V418 PolarHBondContact OH-O 3.48Å
241N95.1Very high94.4Very high6 Ų647.2 Ų47.23%0.03223%0.23CC..EExtended strand (participates in β ladder)trans-90.5112.4174.7-162.1-61.5000110.4T197 Q243 L244 K245 A246 D248T197-N241 CarbonylContact O-C 3.57Å; T197-N241 WeakPolarHBondContact O-CA 3.39Å; T197-N241 PolarHBondContact O-OD1 3.3Å; T197-N241 PolarHBondContact OG1-ND2 3.38Å; T197-N241 PolarHBondContact OG1-OD1 2.67Å; N241-Q243 VanDerWaalsContact C-N 3.33Å; N241-Q243 PolarHBondContact O-N 2.79Å; N241-Q243 PolarHBondContact OD1-N 3.45Å; N241-Q243 VanDerWaalsContact OD1-N 3.14Å; N241-L244 HydrophobicContact CB-CB 4.04Å; N241-L244 HydrophobicContact CB-CD1 4.37Å; N241-L244 HydrophobicContact CB-CG 4.39Å; N241-L244 PolarHBondContact OD1-N 3.46Å; N241-K245 VanDerWaalsContact O-CA 3.28Å; N241-K245 WeakPolarHBondContact O-CA 3.22Å; N241-K245 PolarHBondContact O-N 3.13Å; N241-A246 WeakPolarHBondContact CB-O 3.36Å; N241-A246 PolarHBondContact N-O 3.46Å; N241-A246 PolarHBondContact O-N 3.3Å; N241-D248 WeakPolarHBondContact CB-OD1 3.21Å; N241-D248 PolarHBondContact ND2-OD2 3.19Å
242W91.2Very high94.5Very high47 Ų4743.4 Ų43.418%0.17821%0.213CC..THydrogen-bonded Turntrans-76.9-20.2-175.456-96.2000113.1L183 V185 T197 Y240L183-W242 HydrophobicContact CD2-CB 3.93Å; L183-W242 HydrophobicContact CD2-CD2 3.87Å; L183-W242 HydrophobicContact CD2-CG 3.56Å; V185-W242 HydrophobicContact CG1-CZ2 4.1Å; T197-W242 VanDerWaalsContact C-CD1 3.48Å; T197-W242 VanDerWaalsContact C-NE1 3.25Å; T197-W242 HydrophobicContact CG2-CZ2 4.36Å; T197-W242 PolarHBondContact O-N 2.95Å; T197-W242 PolarHBondContact O-NE1 3.25Å; T197-W242 VanDerWaalsContact O-NE1 3.14Å; Y240-W242 HydrophobicContact CE1-CB 4.45Å
243Q90.3Very high94.6Very high113 Ų11338.8 Ų38.853%0.52820%0.196SC..THydrogen-bonded Turntrans-81.9-46.8173.5-69.5-169.4-4.300112T197 N241 K245T197-Q243 HydrophobicContact CG2-CG 3.94Å; T197-Q243 VanDerWaalsContact CG2-OE1 3.27Å; N241-Q243 VanDerWaalsContact C-N 3.33Å; N241-Q243 PolarHBondContact O-N 2.79Å; N241-Q243 PolarHBondContact OD1-N 3.45Å; N241-Q243 VanDerWaalsContact OD1-N 3.14Å; Q243-K245 PolarHBondContact O-N 3.02Å
244L92.6Very high94.7Very high121 Ų12137.7 Ų37.763%0.63419%0.192SC*.THydrogen-bonded Turntrans-75.9-13.7178.3-60178.5000112.6N241 A246N241-L244 HydrophobicContact CB-CB 4.04Å; N241-L244 HydrophobicContact CB-CD1 4.37Å; N241-L244 HydrophobicContact CB-CG 4.39Å; N241-L244 PolarHBondContact OD1-N 3.46Å; L244-A246 HydrophobicContact CB-CB 4.35Å; L244-A246 PolarHBondContact O-N 3.29Å
245K92.8Very high94.8Very high66 Ų6639 Ų3929%0.28719%0.192SC..THydrogen-bonded Turntrans53.442.7-174-50-175.6179.4-175.70111.7R232 Y240 N241 Q243 H416 M417R232-K245 PolarHBondContact NH1-O 3.29Å; Y240-K245 WeakPolarHBondContact OH-CA 3.4Å; N241-K245 VanDerWaalsContact O-CA 3.28Å; N241-K245 WeakPolarHBondContact O-CA 3.22Å; N241-K245 PolarHBondContact O-N 3.13Å; Q243-K245 PolarHBondContact O-N 3.02Å; K245-H416 PolarHBondContact NZ-O 3.14Å; K245-M417 WeakPolarHBondContact CD-O 3.43Å; K245-M417 WeakPolarHBondContact CE-O 3.33Å; K245-M417 WeakPolarHBondContact CG-O 3.47Å
246A93.5Very high94.9Very high36 Ų3639.1 Ų39.130%0.29819%0.193SC..EExtended strand (participates in β ladder)trans-147.4154.1-173.400000111.2N241 L244N241-A246 WeakPolarHBondContact CB-O 3.36Å; N241-A246 PolarHBondContact N-O 3.46Å; N241-A246 PolarHBondContact O-N 3.3Å; L244-A246 HydrophobicContact CB-CB 4.35Å; L244-A246 PolarHBondContact O-N 3.29Å
247P94.1Very high95Very high25 Ų2539.9 Ų39.916%0.16220%0.197CC..EExtended strand (participates in β ladder)trans-67.2131.5171.4-19.833.9000111.9F233 P237 R239 L250 V301F233-P247 HydrophobicContact CD1-CG 4.44Å; F233-P247 HydrophobicContact CE1-CG 3.93Å; F233-P247 HydrophobicContact CE2-CG 4.24Å; F233-P247 HydrophobicContact CZ-CG 3.83Å; P237-P247 HydrophobicContact CB-CB 3.61Å; P237-P247 HydrophobicContact CB-CG 4.05Å; P237-P247 HydrophobicContact CG-CB 4.02Å; P237-P247 HydrophobicContact CG-CG 4.09Å; R239-P247 CarbonylContact O-C 3.57Å; R239-P247 WeakPolarHBondContact O-CA 3.38Å; P247-L250 HydrophobicContact CB-CD2 3.44Å; P247-L250 VanDerWaalsContact CB-CD2 3.44Å; P247-L250 HydrophobicContact CB-CG 4.05Å; P247-L250 HydrophobicContact CG-CD2 3.73Å; P247-V301 HydrophobicContact CG-CG2 4.25Å
248D93.3Very high95Very high71 Ų7139.9 Ų39.938%0.3820%0.197SC..EExtended strand (participates in β ladder)trans-88-36.9168.2-80.5-6.9000110.7R239 N241R239-D248 HydrophobicContact CB-CB 4.16Å; R239-D248 PolarHBondContact O-N 2.9Å; N241-D248 WeakPolarHBondContact CB-OD1 3.21Å; N241-D248 PolarHBondContact ND2-OD2 3.19Å
249V95.4Very high95.2Very high54 Ų5438.5 Ų38.533%0.32719%0.19SC..EExtended strand (participates in β ladder)trans-124.8112.5173.4-176.80000107.8P237 E238 R239 F251P237-V249 WeakPolarHBondContact CB-O 3.38Å; E238-V249 HydrophobicContact CB-CB 4.01Å; E238-V249 HydrophobicContact CB-CG1 3.72Å; E238-V249 HydrophobicContact CG-CG1 4.15Å; E238-V249 PolarHBondContact N-O 2.88Å; E238-V249 VanDerWaalsContact N-O 3.11Å; R239-V249 HydrophobicContact CB-CB 3.92Å; R239-V249 HydrophobicContact CB-CG2 3.94Å; R239-V249 HydrophobicContact CG-CB 4.26Å; R239-V249 HydrophobicContact CG-CG2 4.06Å; R239-V249 PolarHBondContact N-O 3.5Å; R239-V249 PolarHBondContact O-N 2.99Å; V249-F251 VanDerWaalsContact C-N 3.27Å; V249-F251 HydrophobicContact CG1-CB 4.14Å; V249-F251 PolarHBondContact O-N 2.63Å
250L95.3Very high95.3Very high53 Ų5334.6 Ų34.628%0.27718%0.176SC..  trans-82.5-2.1-167-68152000114.3P247 H300 V301 V302P247-L250 HydrophobicContact CB-CD2 3.44Å; P247-L250 VanDerWaalsContact CB-CD2 3.44Å; P247-L250 HydrophobicContact CB-CG 4.05Å; P247-L250 HydrophobicContact CG-CD2 3.73Å; L250-H300 HydrophobicContact CB-CB 4.39Å; L250-H300 WeakPolarHBondContact CD1-NE2 3.37Å; L250-H300 CarbonylContact O-C 3.53Å; L250-H300 WeakPolarHBondContact O-CA 3.27Å; L250-V301 HydrophobicContact CD2-CG2 4.21Å; L250-V301 WeakPolarHBondContact O-CG1 3.44Å; L250-V301 PolarHBondContact O-N 2.9Å; L250-V302 HydrophobicContact CD2-CG2 4.01Å
251F94.8Very high95.4Very high49 Ų4934.4 Ų34.422%0.21518%0.175CC..  trans-74.5147.3-174.7-176.5-108.2000111.8E238 V249 P253 T297 H299E238-F251 HydrophobicContact CB-CB 4.29Å; E238-F251 WeakPolarHBondContact CB-O 3.28Å; E238-F251 PolarHBondContact N-O 2.85Å; V249-F251 VanDerWaalsContact C-N 3.27Å; V249-F251 HydrophobicContact CG1-CB 4.14Å; V249-F251 PolarHBondContact O-N 2.63Å; F251-P253 HydrophobicContact CD1-CB 4.33Å; F251-P253 HydrophobicContact CD1-CG 4.09Å; F251-P253 HydrophobicContact CE1-CB 3.52Å; F251-P253 HydrophobicContact CE1-CG 3.63Å; F251-P253 HydrophobicContact CZ-CB 3.92Å; F251-T297 HydrophobicContact CD2-CG2 3.93Å; F251-T297 HydrophobicContact CE1-CG2 4.25Å; F251-T297 HydrophobicContact CE2-CG2 3.15Å; F251-T297 HydrophobicContact CZ-CG2 3.36Å; F251-H299 WeakPolarHBondContact CA-O 3.34Å
252Y97.1Very high95.6Very high2 Ų234.1 Ų34.11%0.00817%0.174CC..BIsolated β-bridgetrans-143.8105.7170.6174.7-110.2000111W230 A235 L236 L254 R255 L285 L298W230-Y252 HydrophobicContact CH2-CE1 4.17Å; W230-Y252 AromaticContact CH2-CZ 3.81Å; W230-Y252 WeakPolarHBondContact CH2-OH 3.42Å; W230-Y252 HydrophobicContact CZ3-CE1 4.46Å; W230-Y252 HydrophobicContact CZ3-CE2 4.1Å; W230-Y252 AromaticContact CZ3-CZ 3.76Å; A235-Y252 HydrophobicContact CB-CD1 3.72Å; A235-Y252 HydrophobicContact CB-CD2 4.47Å; A235-Y252 HydrophobicContact CB-CE1 4.21Å; A235-Y252 HydrophobicContact CB-CG 3.86Å; L236-Y252 HydrophobicContact CB-CD2 4.39Å; L236-Y252 HydrophobicContact CB-CE2 4.47Å; L236-Y252 WeakPolarHBondContact O-CB 3.49Å; L236-Y252 WeakPolarHBondContact O-CD2 3.45Å; Y252-L254 VanDerWaalsContact C-N 3.26Å; Y252-L254 HydrophobicContact CD1-CD2 4.38Å; Y252-L254 HydrophobicContact CE1-CD2 4.05Å; Y252-L254 PolarHBondContact O-N 3.17Å; Y252-R255 HydrophobicContact CD2-CB 4.21Å; Y252-R255 HydrophobicContact CE2-CB 3.64Å; Y252-R255 PolarHBondContact OH-N 2.62Å; Y252-R255 PolarHBondContact OH-O 2.94Å; Y252-L285 HydrophobicContact CE1-CD2 4.02Å; Y252-L298 HydrophobicContact CD1-CD1 4.19Å; Y252-L298 HydrophobicContact CD1-CG 4.37Å; Y252-L298 PolarHBondContact N-O 3.31Å; Y252-L298 PolarHBondContact O-N 2.83Å
253P96.4Very high95.8Very high4 Ų432.3 Ų32.33%0.02617%0.167CC..  trans-89.332.9-174.934.8-32.7000113.9E238 F251 R255 T297 E311 F313E238-P253 WeakPolarHBondContact OE2-CD 3.37Å; F251-P253 HydrophobicContact CD1-CB 4.33Å; F251-P253 HydrophobicContact CD1-CG 4.09Å; F251-P253 HydrophobicContact CE1-CB 3.52Å; F251-P253 HydrophobicContact CE1-CG 3.63Å; F251-P253 HydrophobicContact CZ-CB 3.92Å; P253-R255 VanDerWaalsContact C-N 3.35Å; P253-R255 HydrophobicContact CG-CG 4.07Å; P253-T297 WeakPolarHBondContact CA-OG1 3.4Å; P253-T297 HydrophobicContact CB-CG2 4.21Å; P253-E311 HydrophobicContact CB-CG 4.18Å; P253-F313 HydrophobicContact CB-CZ 4.22Å; P253-F313 HydrophobicContact CG-CZ 4.3Å; P253-F313 WeakPolarHBondContact O-CE2 2.94Å; P253-F313 WeakPolarHBondContact O-CZ 3Å
254L97Very high96.1Very high0 Ų027.8 Ų27.80%015%0.146CC..  trans67.533.6-179.6-46174.2000114.5Y252 L285 A289 M310 F314 T318Y252-L254 VanDerWaalsContact C-N 3.26Å; Y252-L254 HydrophobicContact CD1-CD2 4.38Å; Y252-L254 HydrophobicContact CE1-CD2 4.05Å; Y252-L254 PolarHBondContact O-N 3.17Å; L254-L285 HydrophobicContact CD2-CD2 4.08Å; L254-A289 HydrophobicContact CD2-CB 3.61Å; L254-M310 HydrophobicContact CD1-CG 4.22Å; L254-F314 HydrophobicContact CB-CB 4.16Å; L254-F314 HydrophobicContact CB-CD2 3.55Å; L254-F314 HydrophobicContact CB-CE2 4.27Å; L254-F314 HydrophobicContact CB-CG 4.1Å; L254-F314 HydrophobicContact CD1-CB 4.27Å; L254-F314 HydrophobicContact CD1-CD1 4.45Å; L254-F314 HydrophobicContact CD1-CD2 3.93Å; L254-F314 HydrophobicContact CD1-CE2 4.39Å; L254-F314 HydrophobicContact CD1-CG 3.94Å; L254-F314 HydrophobicContact CG-CD2 4.28Å; L254-T318 PolarHBondContact O-OG1 3.12Å
255R96.8Very high96.3Very high40 Ų4022 Ų2215%0.15112%0.116CC..  trans-54.7137.4-176.9-103.7-177.3-154.7-56-6.6115S201 E238 Y252 P253 E257S201-R255 WeakPolarHBondContact OG-CD 3.19Å; S201-R255 PolarHBondContact OG-NE 3.12Å; E238-R255 IonicContact OE1-CZ 3.56Å; E238-R255 IonicContact OE1-NE 2.81Å; E238-R255 PolarHBondContact OE1-NE 3.28Å; E238-R255 IonicContact OE1-NH2 3.68Å; E238-R255 PolarHBondContact OE1-NH2 3.19Å; E238-R255 IonicContact OE2-CZ 3.67Å; E238-R255 IonicContact OE2-NE 2.87Å; E238-R255 PolarHBondContact OE2-NE 3.06Å; E238-R255 IonicContact OE2-NH2 3.37Å; E238-R255 PolarHBondContact OE2-NH2 3.3Å; Y252-R255 HydrophobicContact CD2-CB 4.21Å; Y252-R255 HydrophobicContact CE2-CB 3.64Å; Y252-R255 PolarHBondContact OH-N 2.62Å; Y252-R255 PolarHBondContact OH-O 2.94Å; P253-R255 VanDerWaalsContact C-N 3.35Å; P253-R255 HydrophobicContact CG-CG 4.07Å; R255-E257 WeakPolarHBondContact CB-OE2 3.15Å; R255-E257 WeakPolarHBondContact CD-OE2 3.21Å; R255-E257 WeakPolarHBondContact CG-OE2 3.39Å; R255-E257 IonicContact NH1-OE1 3.51Å; R255-E257 PolarHBondContact NH1-OE1 3.21Å; R255-E257 VanDerWaalsContact NH1-OE1 3.13Å
256P97.6Very high96.4Very high3 Ų319.6 Ų19.62%0.01911%0.105CC..  trans-90.6-14.6-172.835-36.9000115.4L258 V259 E260 E317 T318 Y321P256-L258 PolarHBondContact O-N 3.24Å; P256-V259 CarbonylContact O-C 3.59Å; P256-V259 WeakPolarHBondContact O-CA 3.5Å; P256-V259 VanDerWaalsContact O-CB 3.3Å; P256-V259 WeakPolarHBondContact O-CB 3.33Å; P256-V259 PolarHBondContact O-N 3.3Å; P256-E260 PolarHBondContact O-N 3.23Å; P256-E317 HydrophobicContact CB-CB 3.36Å; P256-E317 HydrophobicContact CB-CG 4.46Å; P256-E317 HydrophobicContact CG-CB 3.68Å; P256-E317 HydrophobicContact CG-CG 4.31Å; P256-T318 VanDerWaalsContact CA-OG1 3.31Å; P256-T318 WeakPolarHBondContact CA-OG1 3.2Å; P256-T318 WeakPolarHBondContact CB-OG1 3.36Å; P256-Y321 HydrophobicContact CB-CD2 4.42Å
257E98.1Very high96.4Very high21 Ų2119.9 Ų19.910%0.09810%0.1CC..Hα-helixtrans-63.4-38.4-157.4-60.588.6164.300112.6A204 F205 R255 V259 S261A204-E257 HydrophobicContact CB-CB 4.04Å; A204-E257 CarbonylContact O-C 3.56Å; A204-E257 VanDerWaalsContact O-O 3.06Å; F205-E257 HydrophobicContact CB-CB 4Å; F205-E257 HydrophobicContact CB-CG 4.12Å; R255-E257 WeakPolarHBondContact CB-OE2 3.15Å; R255-E257 WeakPolarHBondContact CD-OE2 3.21Å; R255-E257 WeakPolarHBondContact CG-OE2 3.39Å; R255-E257 IonicContact NH1-OE1 3.51Å; R255-E257 PolarHBondContact NH1-OE1 3.21Å; R255-E257 VanDerWaalsContact NH1-OE1 3.13Å; E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 PolarHBondContact O-N 3.39Å; E257-S261 PolarHBondContact O-N 2.83Å; E257-S261 VanDerWaalsContact O-N 3.12Å; E257-S261 PolarHBondContact O-OG 3.15Å
258L97.9Very high96.2Very high3 Ų320.4 Ų20.42%0.01611%0.107CC..Hα-helixtrans-66.5-36.3173.4-179.460.3000112.3A204 W230 L236 P256 T262 I281A204-L258 HydrophobicContact CB-CB 4.17Å; W230-L258 HydrophobicContact CB-CD2 3.92Å; W230-L258 HydrophobicContact CD2-CD2 4.13Å; W230-L258 HydrophobicContact CE3-CD2 3.68Å; W230-L258 HydrophobicContact CG-CD2 4.22Å; L236-L258 HydrophobicContact CD1-CB 3.94Å; L236-L258 HydrophobicContact CD1-CD2 4.21Å; L236-L258 HydrophobicContact CG-CD2 4.4Å; P256-L258 PolarHBondContact O-N 3.24Å; L258-T262 WeakPolarHBondContact O-CB 3.29Å; L258-T262 PolarHBondContact O-N 3.21Å; L258-T262 PolarHBondContact O-OG1 3.43Å; L258-I281 HydrophobicContact CD2-CD1 4.05Å; L258-I281 HydrophobicContact CG-CD1 4.14Å
259V98.2Very high96.2Very high1 Ų117.4 Ų17.41%0.0069%0.091CC..Hα-helixtrans-70.2-42.5179.4-171.20000110.2P256 E257 T262 Y263 I281 T318 L322P256-V259 CarbonylContact O-C 3.59Å; P256-V259 WeakPolarHBondContact O-CA 3.5Å; P256-V259 VanDerWaalsContact O-CB 3.3Å; P256-V259 WeakPolarHBondContact O-CB 3.33Å; P256-V259 PolarHBondContact O-N 3.3Å; E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 PolarHBondContact O-N 3.39Å; V259-T262 WeakPolarHBondContact O-CB 3.49Å; V259-T262 PolarHBondContact O-N 3.13Å; V259-Y263 WeakPolarHBondContact O-CB 3.49Å; V259-Y263 PolarHBondContact O-N 3.24Å; V259-I281 HydrophobicContact CG2-CD1 4.28Å; V259-I281 HydrophobicContact CG2-CG2 3.98Å; V259-T318 HydrophobicContact CG2-CG2 4.25Å; V259-L322 HydrophobicContact CG1-CB 4.46Å; V259-L322 HydrophobicContact CG1-CD2 3.77Å; V259-L322 HydrophobicContact CG1-CG 3.64Å
260E98.2Very high96Very high8 Ų817.9 Ų17.94%0.0379%0.089CC..Hα-helixtrans-55.2-53.2173.5-178.1-176.2-176.400110.6K142 P256 T262 Y263 L264 Y321K142-E260 IonicContact NZ-OE1 2.89Å; P256-E260 PolarHBondContact O-N 3.23Å; E260-T262 VanDerWaalsContact C-N 3.31Å; E260-T262 PolarHBondContact O-N 3.35Å; E260-Y263 WeakPolarHBondContact O-CB 3.39Å; E260-Y263 PolarHBondContact O-N 3.49Å; E260-Y263 VanDerWaalsContact O-N 3.16Å; E260-L264 HydrophobicContact CG-CD1 4Å; E260-L264 WeakPolarHBondContact O-CG 3.5Å; E260-L264 PolarHBondContact O-N 3.29Å; E260-Y321 HydrophobicContact CB-CD2 3.76Å; E260-Y321 HydrophobicContact CB-CE1 4.45Å; E260-Y321 HydrophobicContact CB-CE2 3.58Å; E260-Y321 HydrophobicContact CB-CG 4.28Å; E260-Y321 HydrophobicContact CG-CD2 4.37Å; E260-Y321 HydrophobicContact CG-CE1 4.05Å; E260-Y321 HydrophobicContact CG-CE2 3.82Å
261S98Very high95.9Very high0 Ų015.6 Ų15.60%08%0.077CC..Hα-helixtrans-59.8-39.9178.2-76.90000112.7A204 F205 G208 E257 L264 L265A204-S261 WeakPolarHBondContact O-CB 3.13Å; A204-S261 PolarHBondContact O-OG 3.16Å; F205-S261 PolarHBondContact O-OG 3.48Å; G208-S261 PolarHBondContact N-OG 2.93Å; E257-S261 PolarHBondContact O-N 2.83Å; E257-S261 VanDerWaalsContact O-N 3.12Å; E257-S261 PolarHBondContact O-OG 3.15Å; S261-L264 PolarHBondContact O-N 2.98Å; S261-L265 VanDerWaalsContact O-CB 3.3Å; S261-L265 WeakPolarHBondContact O-CB 3.22Å; S261-L265 WeakPolarHBondContact O-CG 3.39Å; S261-L265 PolarHBondContact O-N 2.87Å
262T98.1Very high95.8Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-61.6-45.8175.5-57.10000111.1H223 L258 V259 E260 Y266 Y274 V277 L325H223-T262 PolarHBondContact NE2-OG1 2.96Å; L258-T262 WeakPolarHBondContact O-CB 3.29Å; L258-T262 PolarHBondContact O-N 3.21Å; L258-T262 PolarHBondContact O-OG1 3.43Å; V259-T262 WeakPolarHBondContact O-CB 3.49Å; V259-T262 PolarHBondContact O-N 3.13Å; E260-T262 VanDerWaalsContact C-N 3.31Å; E260-T262 PolarHBondContact O-N 3.35Å; T262-Y266 WeakPolarHBondContact O-CB 3.38Å; T262-Y266 PolarHBondContact O-N 3.39Å; T262-Y274 HydrophobicContact CG2-CD1 4.29Å; T262-Y274 VanDerWaalsContact CG2-O 3.28Å; T262-Y274 WeakPolarHBondContact CG2-O 3.41Å; T262-V277 HydrophobicContact CG2-CB 4.03Å; T262-V277 HydrophobicContact CG2-CG1 3.83Å; T262-L325 HydrophobicContact CG2-CD2 3.96Å
263Y97.4Very high95.7Very high9 Ų917.2 Ų17.24%0.0359%0.089CC..Hα-helixtrans-61.6-49.3177.5166.1-104.5000111.8V259 E260 L265 Y266 Q267 Y321 L324 L325 H333 F341V259-Y263 WeakPolarHBondContact O-CB 3.49Å; V259-Y263 PolarHBondContact O-N 3.24Å; E260-Y263 WeakPolarHBondContact O-CB 3.39Å; E260-Y263 PolarHBondContact O-N 3.49Å; E260-Y263 VanDerWaalsContact O-N 3.16Å; Y263-L265 PolarHBondContact O-N 3.25Å; Y263-Y266 WeakPolarHBondContact O-CB 3.36Å; Y263-Y266 PolarHBondContact O-N 3.49Å; Y263-Q267 HydrophobicContact CD2-CG 4.1Å; Y263-Q267 HydrophobicContact CE1-CG 4.23Å; Y263-Q267 HydrophobicContact CE2-CG 3.59Å; Y263-Q267 WeakPolarHBondContact O-CG 3.48Å; Y263-Q267 PolarHBondContact O-N 3.35Å; Y263-Y321 AromaticContact CD1-CD1 3.85Å; Y263-Y321 HydrophobicContact CD1-CD1 3.85Å; Y263-Y321 HydrophobicContact CD1-CE1 4.36Å; Y263-Y321 HydrophobicContact CE1-CD1 4.45Å; Y263-Y321 HydrophobicContact CG-CD1 4.3Å; Y263-L324 HydrophobicContact CD2-CB 3.93Å; Y263-L324 HydrophobicContact CE2-CB 3.5Å; Y263-L325 HydrophobicContact CD2-CB 4.43Å; Y263-H333 AromaticContact CE2-NE2 3.4Å; Y263-H333 WeakPolarHBondContact CE2-NE2 3.39Å; Y263-H333 AromaticContact CZ-NE2 3.79Å; Y263-H333 PolarHBondContact OH-CD2 3.48Å; Y263-H333 PolarHBondContact OH-NE2 3.1Å; Y263-F341 AromaticContact CE1-CE2 3.68Å; Y263-F341 HydrophobicContact CE1-CE2 3.68Å; Y263-F341 HydrophobicContact CE1-CZ 4.01Å
264L96.1Very high95.7Very high18 Ų1817.1 Ų17.19%0.0949%0.088CC..Hα-helixtrans-64.8-41.3-179.8-68.6174.4000112.2V211 E260 S261 Y266 Q267 A268V211-L264 HydrophobicContact CB-CB 4.48Å; V211-L264 HydrophobicContact CG1-CB 4.32Å; E260-L264 HydrophobicContact CG-CD1 4Å; E260-L264 WeakPolarHBondContact O-CG 3.5Å; E260-L264 PolarHBondContact O-N 3.29Å; S261-L264 PolarHBondContact O-N 2.98Å; L264-Y266 PolarHBondContact O-N 3.43Å; L264-Q267 PolarHBondContact O-N 3.31Å; L264-A268 WeakPolarHBondContact O-CB 3.4Å; L264-A268 PolarHBondContact O-N 3.29Å
265L95.9Very high95.7Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-63.5-39.9174.4-80.8165.2000112.2P207 V211 A219 I220 H223 S261 Y263 A268 T269 Y274P207-L265 HydrophobicContact CB-CD1 4.48Å; V211-L265 HydrophobicContact CG2-CD2 3.45Å; V211-L265 VanDerWaalsContact CG2-CD2 3.45Å; V211-L265 HydrophobicContact CG2-CG 3.76Å; A219-L265 HydrophobicContact CB-CD2 3.93Å; I220-L265 HydrophobicContact CG1-CD2 4.12Å; H223-L265 HydrophobicContact CB-CD1 3.44Å; H223-L265 VanDerWaalsContact CB-CD1 3.44Å; H223-L265 VanDerWaalsContact CG-CD1 3.45Å; S261-L265 VanDerWaalsContact O-CB 3.3Å; S261-L265 WeakPolarHBondContact O-CB 3.22Å; S261-L265 WeakPolarHBondContact O-CG 3.39Å; S261-L265 PolarHBondContact O-N 2.87Å; Y263-L265 PolarHBondContact O-N 3.25Å; L265-A268 PolarHBondContact O-N 2.84Å; L265-T269 WeakPolarHBondContact O-CB 3.39Å; L265-T269 WeakPolarHBondContact O-CG2 2.96Å; L265-T269 PolarHBondContact O-N 3.39Å; L265-T269 PolarHBondContact O-OG1 2.86Å; L265-Y274 HydrophobicContact CB-CD1 3.96Å; L265-Y274 HydrophobicContact CB-CD2 4.14Å; L265-Y274 HydrophobicContact CB-CE1 3.66Å; L265-Y274 HydrophobicContact CB-CE2 3.85Å; L265-Y274 HydrophobicContact CB-CG 4.2Å; L265-Y274 HydrophobicContact CD1-CD1 4.46Å; L265-Y274 HydrophobicContact CD1-CE1 3.67Å; L265-Y274 HydrophobicContact CG-CE1 4.2Å
266Y95.4Very high95.6Very high15 Ų1522.9 Ų22.96%0.05912%0.118CC..Hα-helixtrans-62.4-46172.8-179.1-116.7000111.4T262 Y263 L264 A268 T269 K270 N271 L275 L325 E328T262-Y266 WeakPolarHBondContact O-CB 3.38Å; T262-Y266 PolarHBondContact O-N 3.39Å; Y263-Y266 WeakPolarHBondContact O-CB 3.36Å; Y263-Y266 PolarHBondContact O-N 3.49Å; L264-Y266 PolarHBondContact O-N 3.43Å; Y266-A268 VanDerWaalsContact C-N 3.31Å; Y266-A268 PolarHBondContact O-N 3.04Å; Y266-T269 PolarHBondContact O-N 3.41Å; Y266-K270 HydrophobicContact CE1-CD 4.46Å; Y266-K270 WeakPolarHBondContact O-CA 3.42Å; Y266-K270 PolarHBondContact O-N 3.49Å; Y266-N271 WeakPolarHBondContact CD2-O 3.21Å; Y266-L275 HydrophobicContact CD1-CD2 4.16Å; Y266-L275 HydrophobicContact CD2-CD2 4.19Å; Y266-L275 HydrophobicContact CD2-CG 4.1Å; Y266-L275 HydrophobicContact CE1-CD2 3.86Å; Y266-L275 HydrophobicContact CE2-CD1 3.94Å; Y266-L275 HydrophobicContact CE2-CD2 3.93Å; Y266-L275 HydrophobicContact CE2-CG 3.71Å; Y266-L275 HydrophobicContact CG-CD2 4.31Å; Y266-L325 HydrophobicContact CD1-CD1 3.7Å; Y266-L325 HydrophobicContact CG-CD1 3.73Å; Y266-E328 PolarHBondContact OH-OE1 3.07Å
267Q92.4Very high95.6Very high41 Ų4122.8 Ų22.819%0.19212%0.117CC..Hα-helixtrans-62.2-39.2179.2-69.5-59.1-33.700112.1Y263 L264 K270 H333Y263-Q267 HydrophobicContact CD2-CG 4.1Å; Y263-Q267 HydrophobicContact CE1-CG 4.23Å; Y263-Q267 HydrophobicContact CE2-CG 3.59Å; Y263-Q267 WeakPolarHBondContact O-CG 3.48Å; Y263-Q267 PolarHBondContact O-N 3.35Å; L264-Q267 PolarHBondContact O-N 3.31Å; Q267-K270 WeakPolarHBondContact O-CE 3.19Å; Q267-H333 VanDerWaalsContact CD-CD2 3.49Å; Q267-H333 PolarHBondContact NE2-CD2 2.96Å; Q267-H333 PolarHBondContact NE2-NE2 3.45Å
268A91.8Very high95.6Very high37 Ų3721.8 Ų21.831%0.30611%0.112SC..Hα-helixtrans-70.7-47.3178.400000112.7V211 I216 L264 L265 Y266 I396V211-A268 HydrophobicContact CG1-CB 3.66Å; I216-A268 HydrophobicContact CD1-CB 4.19Å; L264-A268 WeakPolarHBondContact O-CB 3.4Å; L264-A268 PolarHBondContact O-N 3.29Å; L265-A268 PolarHBondContact O-N 2.84Å; Y266-A268 VanDerWaalsContact C-N 3.31Å; Y266-A268 PolarHBondContact O-N 3.04Å; A268-I396 HydrophobicContact CB-CD1 4.37Å; A268-I396 WeakPolarHBondContact O-CD1 3.42Å
269T91.8Very high95.6Very high8 Ų825.6 Ų25.65%0.04913%0.131CC..Hα-helixtrans-98.3-24.1-16964.70000114.6I216 L265 Y266 N271 Y274 I396I216-T269 HydrophobicContact CG2-CG2 3.97Å; L265-T269 WeakPolarHBondContact O-CB 3.39Å; L265-T269 WeakPolarHBondContact O-CG2 2.96Å; L265-T269 PolarHBondContact O-N 3.39Å; L265-T269 PolarHBondContact O-OG1 2.86Å; Y266-T269 PolarHBondContact O-N 3.41Å; T269-N271 PolarHBondContact O-N 3.13Å; T269-N271 WeakPolarHBondContact OG1-CB 3.39Å; T269-N271 PolarHBondContact OG1-N 3.44Å; T269-Y274 HydrophobicContact CG2-CE2 4.48Å; T269-Y274 VanDerWaalsContact OG1-CE2 3.32Å; T269-Y274 WeakPolarHBondContact OG1-CE2 3.26Å; T269-I396 HydrophobicContact CG2-CD1 4.02Å
270K91.5Very high95.5Very high64 Ų6428.3 Ų28.328%0.27815%0.146SC..  trans5129.9-168-59.5-66.8173.2-177.80113.2Y266 Q267 R401Y266-K270 HydrophobicContact CE1-CD 4.46Å; Y266-K270 WeakPolarHBondContact O-CA 3.42Å; Y266-K270 PolarHBondContact O-N 3.49Å; Q267-K270 WeakPolarHBondContact O-CE 3.19Å; K270-R401 HydrophobicContact CB-CG 4.31Å
271N93.1Very high95.5Very high4 Ų428 Ų282%0.02114%0.144CC..  trans-81.9124.4179.2-170.3-47.3000110.5Y266 T269 F273 Y274 R400 R401 A403Y266-N271 WeakPolarHBondContact CD2-O 3.21Å; T269-N271 PolarHBondContact O-N 3.13Å; T269-N271 WeakPolarHBondContact OG1-CB 3.39Å; T269-N271 PolarHBondContact OG1-N 3.44Å; N271-F273 PolarHBondContact O-N 3.47Å; N271-F273 VanDerWaalsContact O-N 3.1Å; N271-F273 WeakPolarHBondContact OD1-CB 3.43Å; N271-F273 PolarHBondContact OD1-N 3.06Å; N271-Y274 HydrophobicContact CB-CD2 3.99Å; N271-Y274 HydrophobicContact CB-CE2 4Å; N271-Y274 PolarHBondContact O-N 2.56Å; N271-R400 PolarHBondContact ND2-O 3.49Å; N271-R401 WeakPolarHBondContact CA-O 3.43Å; N271-A403 PolarHBondContact ND2-O 3.16Å
272P93.2Very high95.5Very high54 Ų5430.8 Ų30.835%0.35116%0.159SC..THydrogen-bonded Turntrans-64.5-16-176.827.4-35.2000113.5Y274 L275 H276 R401P272-Y274 PolarHBondContact O-N 2.93Å; P272-L275 WeakPolarHBondContact O-CB 3.12Å; P272-L275 PolarHBondContact O-N 3.31Å; P272-H276 PolarHBondContact O-CD2 3.44Å; P272-H276 VanDerWaalsContact O-CD2 3.27Å; P272-H276 PolarHBondContact O-N 2.8Å; P272-R401 WeakPolarHBondContact CD-O 3.35Å
273F94.6Very high95.5Very high32 Ų3235.8 Ų35.814%0.1418%0.182CC..Hα-helixtrans-50.7-41.6171.5175.6-97.7000112.3Y227 N271 L275 H276 V277 L404 P405 M411Y227-F273 AromaticContact CD1-CZ 3.88Å; Y227-F273 HydrophobicContact CD1-CZ 3.88Å; Y227-F273 HydrophobicContact CE1-CE2 4.3Å; Y227-F273 AromaticContact CE1-CZ 3.82Å; Y227-F273 HydrophobicContact CE1-CZ 3.82Å; N271-F273 PolarHBondContact O-N 3.47Å; N271-F273 VanDerWaalsContact O-N 3.1Å; N271-F273 WeakPolarHBondContact OD1-CB 3.43Å; N271-F273 PolarHBondContact OD1-N 3.06Å; F273-L275 VanDerWaalsContact C-N 3.31Å; F273-L275 PolarHBondContact O-N 3.4Å; F273-H276 WeakPolarHBondContact O-CB 3.35Å; F273-H276 PolarHBondContact O-N 3.22Å; F273-H276 VanDerWaalsContact O-N 3.17Å; F273-V277 HydrophobicContact CD1-CG2 3.96Å; F273-V277 HydrophobicContact CE1-CG2 3.54Å; F273-V277 HydrophobicContact CE2-CG2 4.47Å; F273-V277 HydrophobicContact CZ-CG2 3.83Å; F273-V277 WeakPolarHBondContact O-CG2 3.38Å; F273-V277 PolarHBondContact O-N 3.37Å; F273-L404 HydrophobicContact CD2-CD2 4.11Å; F273-P405 HydrophobicContact CB-CG 3.85Å; F273-P405 HydrophobicContact CD1-CG 3.61Å; F273-P405 HydrophobicContact CE1-CG 4.34Å; F273-P405 HydrophobicContact CG-CG 3.8Å; F273-M411 HydrophobicContact CE2-CE 4.3Å; F273-M411 HydrophobicContact CZ-CE 3.96Å
274Y96.6Very high95.5Very high1 Ų136.4 Ų36.40%0.00419%0.188CC..Hα-helixtrans-71.3-26.1-179-61.6-65.8000113.2I220 H223 T262 L265 T269 N271 P272 V277 G278 P405I220-Y274 WeakPolarHBondContact CG1-OH 3.24Å; H223-Y274 AromaticContact CE1-CD1 3.82Å; H223-Y274 AromaticContact CE1-CE1 3.76Å; H223-Y274 AromaticContact ND1-CE1 3.69Å; T262-Y274 HydrophobicContact CG2-CD1 4.29Å; T262-Y274 VanDerWaalsContact CG2-O 3.28Å; T262-Y274 WeakPolarHBondContact CG2-O 3.41Å; L265-Y274 HydrophobicContact CB-CD1 3.96Å; L265-Y274 HydrophobicContact CB-CD2 4.14Å; L265-Y274 HydrophobicContact CB-CE1 3.66Å; L265-Y274 HydrophobicContact CB-CE2 3.85Å; L265-Y274 HydrophobicContact CB-CG 4.2Å; L265-Y274 HydrophobicContact CD1-CD1 4.46Å; L265-Y274 HydrophobicContact CD1-CE1 3.67Å; L265-Y274 HydrophobicContact CG-CE1 4.2Å; T269-Y274 HydrophobicContact CG2-CE2 4.48Å; T269-Y274 VanDerWaalsContact OG1-CE2 3.32Å; T269-Y274 WeakPolarHBondContact OG1-CE2 3.26Å; N271-Y274 HydrophobicContact CB-CD2 3.99Å; N271-Y274 HydrophobicContact CB-CE2 4Å; N271-Y274 PolarHBondContact O-N 2.56Å; P272-Y274 PolarHBondContact O-N 2.93Å; Y274-V277 PolarHBondContact O-N 3.11Å; Y274-G278 PolarHBondContact O-N 2.92Å; Y274-P405 HydrophobicContact CE2-CG 4.16Å
275L96.4Very high95.6Very high39 Ų3935.9 Ų35.920%0.20419%0.185CC..Hα-helixtrans-68.1-39.3170.4-61177.7000111Y266 P272 F273 G278 M279 L325 F326Y266-L275 HydrophobicContact CD1-CD2 4.16Å; Y266-L275 HydrophobicContact CD2-CD2 4.19Å; Y266-L275 HydrophobicContact CD2-CG 4.1Å; Y266-L275 HydrophobicContact CE1-CD2 3.86Å; Y266-L275 HydrophobicContact CE2-CD1 3.94Å; Y266-L275 HydrophobicContact CE2-CD2 3.93Å; Y266-L275 HydrophobicContact CE2-CG 3.71Å; Y266-L275 HydrophobicContact CG-CD2 4.31Å; P272-L275 WeakPolarHBondContact O-CB 3.12Å; P272-L275 PolarHBondContact O-N 3.31Å; F273-L275 VanDerWaalsContact C-N 3.31Å; F273-L275 PolarHBondContact O-N 3.4Å; L275-G278 PolarHBondContact O-N 2.66Å; L275-M279 PolarHBondContact O-N 3.11Å; L275-L325 HydrophobicContact CD2-CD1 3.88Å; L275-L325 HydrophobicContact CD2-CG 3.99Å; L275-L325 WeakPolarHBondContact CD2-O 3.46Å; L275-F326 HydrophobicContact CB-CE1 4.48Å; L275-F326 HydrophobicContact CD2-CD1 4.17Å; L275-F326 HydrophobicContact CD2-CE1 4.3Å
276H95.8Very high95.6Very high123 Ų12339 Ų3957%0.56920%0.2SC*.Hα-helixtrans-63.2-44.8173-68.6-64.2000111.7P272 F273 G278 M279 D280P272-H276 PolarHBondContact O-CD2 3.44Å; P272-H276 VanDerWaalsContact O-CD2 3.27Å; P272-H276 PolarHBondContact O-N 2.8Å; F273-H276 WeakPolarHBondContact O-CB 3.35Å; F273-H276 PolarHBondContact O-N 3.22Å; F273-H276 VanDerWaalsContact O-N 3.17Å; H276-G278 VanDerWaalsContact C-N 3.32Å; H276-G278 PolarHBondContact O-N 2.83Å; H276-M279 PolarHBondContact O-N 2.97Å; H276-M279 VanDerWaalsContact O-N 3.15Å; H276-D280 PolarHBondContact O-N 3.46Å
277V97.4Very high95.7Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-56.1-47.5173.91730000110.8Y227 T262 F273 Y274 M279 D280 I281Y227-V277 HydrophobicContact CD1-CG2 3.97Å; Y227-V277 HydrophobicContact CD2-CB 4.24Å; Y227-V277 HydrophobicContact CD2-CG1 3.55Å; Y227-V277 HydrophobicContact CD2-CG2 3.97Å; Y227-V277 HydrophobicContact CE1-CG2 3.77Å; Y227-V277 HydrophobicContact CE2-CB 4Å; Y227-V277 HydrophobicContact CE2-CG1 3.72Å; Y227-V277 HydrophobicContact CE2-CG2 3.78Å; Y227-V277 HydrophobicContact CG-CG1 4.19Å; Y227-V277 HydrophobicContact CG-CG2 4.04Å; T262-V277 HydrophobicContact CG2-CB 4.03Å; T262-V277 HydrophobicContact CG2-CG1 3.83Å; F273-V277 HydrophobicContact CD1-CG2 3.96Å; F273-V277 HydrophobicContact CE1-CG2 3.54Å; F273-V277 HydrophobicContact CE2-CG2 4.47Å; F273-V277 HydrophobicContact CZ-CG2 3.83Å; F273-V277 WeakPolarHBondContact O-CG2 3.38Å; F273-V277 PolarHBondContact O-N 3.37Å; Y274-V277 PolarHBondContact O-N 3.11Å; V277-M279 VanDerWaalsContact C-N 3.31Å; V277-M279 PolarHBondContact O-N 2.69Å; V277-D280 PolarHBondContact O-N 2.73Å; V277-I281 HydrophobicContact CG1-CD1 3.85Å; V277-I281 VanDerWaalsContact O-CG1 3.31Å; V277-I281 WeakPolarHBondContact O-CG1 3.47Å; V277-I281 PolarHBondContact O-N 2.72Å
278G97.5Very high95.9Very high0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-59.4-40.1176.700000113.4Y274 L275 H276 I281 L282Y274-G278 PolarHBondContact O-N 2.92Å; L275-G278 PolarHBondContact O-N 2.66Å; H276-G278 VanDerWaalsContact C-N 3.32Å; H276-G278 PolarHBondContact O-N 2.83Å; G278-I281 PolarHBondContact O-N 2.98Å; G278-L282 WeakPolarHBondContact O-CB 3.34Å; G278-L282 PolarHBondContact O-N 3.24Å
279M97.3Very high96.1Very high84 Ų8443.9 Ų43.941%0.41422%0.215SC..Hα-helixtrans-66.5-43.1177.8-173.863.8-179.500111.4L275 H276 V277 I281 L282 Q283 F326L275-M279 PolarHBondContact O-N 3.11Å; H276-M279 PolarHBondContact O-N 2.97Å; H276-M279 VanDerWaalsContact O-N 3.15Å; V277-M279 VanDerWaalsContact C-N 3.31Å; V277-M279 PolarHBondContact O-N 2.69Å; M279-I281 VanDerWaalsContact C-N 3.32Å; M279-I281 PolarHBondContact O-N 2.81Å; M279-L282 PolarHBondContact O-N 3.36Å; M279-L282 HydrophobicContact SD-CD2 4.48Å; M279-Q283 HydrophobicContact CE-CG 4.08Å; M279-Q283 HydrophobicContact CG-CG 4.48Å; M279-Q283 WeakPolarHBondContact O-CB 3.43Å; M279-Q283 VanDerWaalsContact O-CG 3.3Å; M279-Q283 WeakPolarHBondContact O-CG 3.34Å; M279-Q283 PolarHBondContact O-N 2.55Å; M279-F326 HydrophobicContact CB-CZ 4.5Å
280D97.5Very high96.4Very high58 Ų5848.6 Ų48.631%0.3124%0.235SC..Hα-helixtrans-64.1-38.5177.8-76.54.9000111.6Y227 H276 V277 S284Y227-D280 HydrophobicContact CE2-CB 4.48Å; Y227-D280 PolarHBondContact OH-OD2 2.79Å; H276-D280 PolarHBondContact O-N 3.46Å; V277-D280 PolarHBondContact O-N 2.73Å; D280-S284 VanDerWaalsContact O-CB 3.29Å; D280-S284 WeakPolarHBondContact O-CB 3.41Å; D280-S284 PolarHBondContact O-N 3.24Å; D280-S284 PolarHBondContact O-OG 3.49Å
281I98.1Very high96.6Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-62.2-51.4172.1-69.9169.3000110.5W230 L258 V259 V277 G278 M279 Q283 S284 L285 L322W230-I281 HydrophobicContact CD2-CG1 3.93Å; W230-I281 HydrophobicContact CE3-CG1 4.42Å; W230-I281 HydrophobicContact CG-CG1 4.3Å; W230-I281 HydrophobicContact CH2-CG1 4.47Å; W230-I281 HydrophobicContact CH2-CG2 3.86Å; W230-I281 HydrophobicContact CZ2-CB 3.97Å; W230-I281 HydrophobicContact CZ2-CG1 3.95Å; W230-I281 HydrophobicContact CZ2-CG2 3.66Å; L258-I281 HydrophobicContact CD2-CD1 4.05Å; L258-I281 HydrophobicContact CG-CD1 4.14Å; V259-I281 HydrophobicContact CG2-CD1 4.28Å; V259-I281 HydrophobicContact CG2-CG2 3.98Å; V277-I281 HydrophobicContact CG1-CD1 3.85Å; V277-I281 VanDerWaalsContact O-CG1 3.31Å; V277-I281 WeakPolarHBondContact O-CG1 3.47Å; V277-I281 PolarHBondContact O-N 2.72Å; G278-I281 PolarHBondContact O-N 2.98Å; M279-I281 VanDerWaalsContact C-N 3.32Å; M279-I281 PolarHBondContact O-N 2.81Å; I281-Q283 PolarHBondContact O-N 2.69Å; I281-S284 WeakPolarHBondContact O-CB 3.38Å; I281-S284 PolarHBondContact O-N 2.83Å; I281-S284 VanDerWaalsContact O-N 3.12Å; I281-L285 HydrophobicContact CG2-CD1 3.97Å; I281-L285 HydrophobicContact CG2-CG 4.43Å; I281-L285 WeakPolarHBondContact O-CG 3.31Å; I281-L285 PolarHBondContact O-N 3.4Å; I281-L322 HydrophobicContact CG2-CD2 4.27Å
282L97.3Very high96.7Very high60 Ų6059.7 Ų59.731%0.31428%0.28SS..Hα-helixtrans-59.1-46.5-179.7-179.965000111.7G278 M279 S284 L285 E286 L322G278-L282 WeakPolarHBondContact O-CB 3.34Å; G278-L282 PolarHBondContact O-N 3.24Å; M279-L282 PolarHBondContact O-N 3.36Å; M279-L282 HydrophobicContact SD-CD2 4.48Å; L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.11Å; L282-L285 PolarHBondContact O-N 3.03Å; L282-E286 HydrophobicContact CD1-CG 4.45Å; L282-E286 WeakPolarHBondContact O-CB 3.38Å; L282-E286 WeakPolarHBondContact O-CG 3.43Å; L282-E286 PolarHBondContact O-N 3.29Å; L282-L322 HydrophobicContact CD1-CD1 4.27Å
283Q97.9Very high96.7Very high104 Ų10462.3 Ų62.349%0.48630%0.299SS..Hα-helixtrans-60.6-39.8175.9-72.7179.35.600111.9M279 I281 K287M279-Q283 HydrophobicContact CE-CG 4.08Å; M279-Q283 HydrophobicContact CG-CG 4.48Å; M279-Q283 WeakPolarHBondContact O-CB 3.43Å; M279-Q283 VanDerWaalsContact O-CG 3.3Å; M279-Q283 WeakPolarHBondContact O-CG 3.34Å; M279-Q283 PolarHBondContact O-N 2.55Å; I281-Q283 PolarHBondContact O-N 2.69Å; Q283-K287 WeakPolarHBondContact O-CB 3.4Å; Q283-K287 PolarHBondContact O-N 3.21Å
284S97.6Very high96.7Very high23 Ų2361.9 Ų61.916%0.16130%0.303CS..Hα-helixtrans-65-42.4177.4-63.30000111.9W230 G234 D280 I281 L282 N288W230-S284 PolarHBondContact NE1-OG 2.68Å; G234-S284 WeakPolarHBondContact O-CB 3.2Å; D280-S284 VanDerWaalsContact O-CB 3.29Å; D280-S284 WeakPolarHBondContact O-CB 3.41Å; D280-S284 PolarHBondContact O-N 3.24Å; D280-S284 PolarHBondContact O-OG 3.49Å; I281-S284 WeakPolarHBondContact O-CB 3.38Å; I281-S284 PolarHBondContact O-N 2.83Å; I281-S284 VanDerWaalsContact O-N 3.12Å; L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.11Å; S284-N288 WeakPolarHBondContact O-CB 3.49Å; S284-N288 PolarHBondContact O-N 2.82Å; S284-N288 PolarHBondContact O-ND2 2.88Å
285L97.4Very high96.7Very high6 Ų664.4 Ų64.43%0.03131%0.313CS..Hα-helixtrans-65.6-47.4175.9-68.8171.8000111.6W230 Y252 L254 I281 L282 K287 A289 K290 F314 T318 L322W230-L285 HydrophobicContact CH2-CD2 4.33Å; W230-L285 HydrophobicContact CH2-CG 4.48Å; W230-L285 HydrophobicContact CZ2-CG 4.48Å; Y252-L285 HydrophobicContact CE1-CD2 4.02Å; L254-L285 HydrophobicContact CD2-CD2 4.08Å; I281-L285 HydrophobicContact CG2-CD1 3.97Å; I281-L285 HydrophobicContact CG2-CG 4.43Å; I281-L285 WeakPolarHBondContact O-CG 3.31Å; I281-L285 PolarHBondContact O-N 3.4Å; L282-L285 PolarHBondContact O-N 3.03Å; L285-K287 VanDerWaalsContact C-N 3.31Å; L285-K287 PolarHBondContact O-N 3.35Å; L285-A289 HydrophobicContact CD2-CB 4.45Å; L285-A289 WeakPolarHBondContact O-CA 3.44Å; L285-A289 WeakPolarHBondContact O-CB 3.27Å; L285-A289 PolarHBondContact O-N 3.2Å; L285-K290 PolarHBondContact O-N 2.94Å; L285-K290 VanDerWaalsContact O-N 3.13Å; L285-F314 HydrophobicContact CD1-CE2 4.4Å; L285-T318 HydrophobicContact CD1-CG2 4.02Å; L285-L322 HydrophobicContact CD1-CD1 3.91Å
286E97.2Very high96.8Very high66 Ų6662.7 Ų62.731%0.30831%0.305SS..Hα-helixtrans-59.1-41.3177.1-78.1-64.7109.200112.2L282 K290 Y295L282-E286 HydrophobicContact CD1-CG 4.45Å; L282-E286 WeakPolarHBondContact O-CB 3.38Å; L282-E286 WeakPolarHBondContact O-CG 3.43Å; L282-E286 PolarHBondContact O-N 3.29Å; E286-K290 WeakPolarHBondContact O-CB 3.32Å; E286-K290 IonicContact OE1-NZ 3.35Å; E286-K290 WeakPolarHBondContact OE2-CD 3.45Å; E286-K290 IonicContact OE2-NZ 3.11Å; E286-K290 PolarHBondContact OE2-NZ 3.24Å; E286-Y295 WeakPolarHBondContact OE1-CE1 3.24Å; E286-Y295 PolarHBondContact OE1-OH 3.11Å
287K97.1Very high96.8Very high175 Ų17556.9 Ų56.976%0.76128%0.278SS*.Hα-helixtrans-75.8-45.2-178.7-175.5-177.4-179.2-177.50112.5Q283 L285Q283-K287 WeakPolarHBondContact O-CB 3.4Å; Q283-K287 PolarHBondContact O-N 3.21Å; L285-K287 VanDerWaalsContact C-N 3.31Å; L285-K287 PolarHBondContact O-N 3.35Å
288N96.5Very high96.8Very high19 Ų1957 Ų5710%0.10228%0.278CS..Hα-helixtrans-100-34.1-165.7-60.3-38.6000113.3G234 S284 L298 K304 K306G234-N288 PolarHBondContact O-ND2 3.48Å; S284-N288 WeakPolarHBondContact O-CB 3.49Å; S284-N288 PolarHBondContact O-N 2.82Å; S284-N288 PolarHBondContact O-ND2 2.88Å; N288-L298 HydrophobicContact CB-CD1 4.3Å; N288-L298 HydrophobicContact CB-CD2 4.42Å; N288-L298 WeakPolarHBondContact O-CD2 3.43Å; N288-K304 HydrophobicContact CB-CD 4.25Å; N288-K306 WeakPolarHBondContact O-CE 3.18Å; N288-K306 PolarHBondContact O-NZ 3.25Å
289A96.6Very high96.7Very high1 Ų161.6 Ų61.61%0.00830%0.3CS..THydrogen-bonded Turntrans-107.8-22.3-170.500000114L254 L285 V291 Y295 A296 L298L254-A289 HydrophobicContact CD2-CB 3.61Å; L285-A289 HydrophobicContact CD2-CB 4.45Å; L285-A289 WeakPolarHBondContact O-CA 3.44Å; L285-A289 WeakPolarHBondContact O-CB 3.27Å; L285-A289 PolarHBondContact O-N 3.2Å; A289-V291 PolarHBondContact O-N 3.36Å; A289-Y295 HydrophobicContact CB-CD1 4.29Å; A289-Y295 WeakPolarHBondContact O-CA 3.34Å; A289-A296 PolarHBondContact O-N 2.95Å; A289-L298 HydrophobicContact CB-CD2 4.48Å
290K97.1Very high96.6Very high108 Ų10860 Ų6047%0.4729%0.291SS..EExtended strand (participates in β ladder)trans-61.8135.4-179.2-167.9176.6-167.3165.80112.3L285 E286 Y295L285-K290 PolarHBondContact O-N 2.94Å; L285-K290 VanDerWaalsContact O-N 3.13Å; E286-K290 WeakPolarHBondContact O-CB 3.32Å; E286-K290 IonicContact OE1-NZ 3.35Å; E286-K290 WeakPolarHBondContact OE2-CD 3.45Å; E286-K290 IonicContact OE2-NZ 3.11Å; E286-K290 PolarHBondContact OE2-NZ 3.24Å; K290-Y295 HydrophobicContact CB-CD1 4.21Å; K290-Y295 HydrophobicContact CB-CE1 4.04Å; K290-Y295 HydrophobicContact CG-CE1 4.29Å
291V96.4Very high96.5Very high52 Ų5257.2 Ų57.232%0.31528%0.276SS..EExtended strand (participates in β ladder)trans-131.7177.1173.8-65.20000109.9A289 C293 G294 A296 K306A289-V291 PolarHBondContact O-N 3.36Å; V291-C293 VanDerWaalsContact C-N 3.25Å; V291-C293 PolarHBondContact O-N 2.97Å; V291-C293 VanDerWaalsContact O-N 3.15Å; V291-G294 WeakPolarHBondContact CG2-O 3.32Å; V291-G294 PolarHBondContact N-O 3.21Å; V291-G294 PolarHBondContact O-N 2.82Å; V291-G294 VanDerWaalsContact O-O 3.13Å; V291-A296 HydrophobicContact CG1-CB 3.78Å; V291-A296 HydrophobicContact CG2-CB 4.32Å; V291-K306 HydrophobicContact CG1-CD 3.94Å
292R95.6Very high96.3Very high248 Ų24861.3 Ų61.394%0.93630%0.301SS*.THydrogen-bonded Turntrans-54.9-36.2-173.4-173.8-179.866.7128.21.1114.1
293C92.5Very high96.1Very high110 Ų11063.1 Ų63.174%0.74331%0.311SS*.THydrogen-bonded Turntrans-123.523-172.754.30000114V291V291-C293 VanDerWaalsContact C-N 3.25Å; V291-C293 PolarHBondContact O-N 2.97Å; V291-C293 VanDerWaalsContact O-N 3.15Å
294G94.9Very high96Very high22 Ų2260.5 Ų60.523%0.22730%0.298CS..EExtended strand (participates in β ladder)trans152.2-142.6179.400000112.2V291V291-G294 WeakPolarHBondContact CG2-O 3.32Å; V291-G294 PolarHBondContact N-O 3.21Å; V291-G294 PolarHBondContact O-N 2.82Å; V291-G294 VanDerWaalsContact O-O 3.13Å
295Y97.4Very high95.9Very high54 Ų5461.3 Ų61.321%0.21230%0.304CS..EExtended strand (participates in β ladder)trans-125.6145.9177.2-62.8-100.3000109.3E286 A289 K290 M310 F314E286-Y295 WeakPolarHBondContact OE1-CE1 3.24Å; E286-Y295 PolarHBondContact OE1-OH 3.11Å; A289-Y295 HydrophobicContact CB-CD1 4.29Å; A289-Y295 WeakPolarHBondContact O-CA 3.34Å; K290-Y295 HydrophobicContact CB-CD1 4.21Å; K290-Y295 HydrophobicContact CB-CE1 4.04Å; K290-Y295 HydrophobicContact CG-CE1 4.29Å; Y295-M310 VanDerWaalsContact O-CB 3.23Å; Y295-M310 WeakPolarHBondContact O-CB 3.31Å; Y295-M310 VanDerWaalsContact O-CG 3.29Å; Y295-M310 WeakPolarHBondContact O-CG 3.46Å; Y295-F314 HydrophobicContact CD1-CE1 4.42Å; Y295-F314 AromaticContact CD1-CZ 3.88Å; Y295-F314 HydrophobicContact CD1-CZ 3.88Å; Y295-F314 HydrophobicContact CD2-CD1 4.22Å; Y295-F314 AromaticContact CD2-CE1 3.15Å; Y295-F314 HydrophobicContact CD2-CE1 3.15Å; Y295-F314 AromaticContact CD2-CZ 3.42Å; Y295-F314 HydrophobicContact CD2-CZ 3.42Å; Y295-F314 VanDerWaalsContact CD2-CZ 3.42Å; Y295-F314 HydrophobicContact CE1-CZ 4.24Å; Y295-F314 AromaticContact CE2-CE1 3.72Å; Y295-F314 HydrophobicContact CE2-CE1 3.72Å; Y295-F314 AromaticContact CE2-CZ 3.8Å; Y295-F314 HydrophobicContact CE2-CZ 3.8Å; Y295-F314 AromaticContact CG-CE1 3.56Å; Y295-F314 HydrophobicContact CG-CE1 3.56Å; Y295-F314 HydrophobicContact CG-CE2 4.38Å; Y295-F314 AromaticContact CG-CZ 3.46Å; Y295-F314 HydrophobicContact CG-CZ 3.46Å; Y295-F314 VanDerWaalsContact CG-CZ 3.46Å
296A97Very high95.9Very high4 Ų465.4 Ų65.43%0.03332%0.321CS..  trans-115.7138.1-177.500000110.1A289 V291 K306 E307A289-A296 PolarHBondContact O-N 2.95Å; V291-A296 HydrophobicContact CG1-CB 3.78Å; V291-A296 HydrophobicContact CG2-CB 4.32Å; A296-K306 HydrophobicContact CB-CB 4.09Å; A296-K306 HydrophobicContact CB-CD 4.23Å; A296-K306 HydrophobicContact CB-CG 4.31Å; A296-E307 WeakPolarHBondContact CB-O 3.4Å
297T96.7Very high95.8Very high0 Ų065.4 Ų65.40%032%0.321CS..  trans-50.7136.6166.2-72.90000110.8F251 P253 K306 E307 R309F251-T297 HydrophobicContact CD2-CG2 3.93Å; F251-T297 HydrophobicContact CE1-CG2 4.25Å; F251-T297 HydrophobicContact CE2-CG2 3.15Å; F251-T297 HydrophobicContact CZ-CG2 3.36Å; P253-T297 WeakPolarHBondContact CA-OG1 3.4Å; P253-T297 HydrophobicContact CB-CG2 4.21Å; T297-K306 CarbonylContact O-C 3.6Å; T297-K306 VanDerWaalsContact O-CA 3.29Å; T297-K306 WeakPolarHBondContact O-CA 3.03Å; T297-E307 HydrophobicContact CG2-CB 4.42Å; T297-E307 PolarHBondContact O-N 3.18Å; T297-R309 PolarHBondContact N-O 2.68Å; T297-R309 PolarHBondContact OG1-O 3.31Å
298L96.8Very high95.7Very high2 Ų265.1 Ų65.11%0.0133%0.328CS..BIsolated β-bridgetrans-84118.3171.1-57.2-178.5000108.5A235 Y252 N288 A289 H300 S305 K306A235-L298 HydrophobicContact CB-CD1 3.81Å; Y252-L298 HydrophobicContact CD1-CD1 4.19Å; Y252-L298 HydrophobicContact CD1-CG 4.37Å; Y252-L298 PolarHBondContact N-O 3.31Å; Y252-L298 PolarHBondContact O-N 2.83Å; N288-L298 HydrophobicContact CB-CD1 4.3Å; N288-L298 HydrophobicContact CB-CD2 4.42Å; N288-L298 WeakPolarHBondContact O-CD2 3.43Å; A289-L298 HydrophobicContact CB-CD2 4.48Å; L298-H300 VanDerWaalsContact C-N 3.27Å; L298-S305 CarbonylContact C-O 3.59Å; L298-S305 WeakPolarHBondContact CA-O 3.25Å; L298-K306 HydrophobicContact CD2-CG 4.14Å
299H96.2Very high95.6Very high97 Ų9770.8 Ų70.845%0.44935%0.348SS..SBendtrans-64.7-39172.2-175.568.8000110.5F251 S305 E307F251-H299 WeakPolarHBondContact CA-O 3.34Å; H299-S305 PolarHBondContact N-O 3.45Å; H299-E307 HydrophobicContact CB-CG 3.81Å; H299-E307 IonicContact CE1-OE1 3.74Å; H299-E307 IonicContact CG-OE1 2.82Å; H299-E307 IonicContact ND1-OE1 3.04Å; H299-E307 PolarHBondContact ND1-OE1 3.01Å
300H95.3Very high95.6Very high50 Ų5074.5 Ų74.523%0.23137%0.366CS..  trans-143.8114.7-175.2-175.4-36.8000111.1L250 L298 V302 D303 K304 S305L250-H300 HydrophobicContact CB-CB 4.39Å; L250-H300 WeakPolarHBondContact CD1-NE2 3.37Å; L250-H300 CarbonylContact O-C 3.53Å; L250-H300 WeakPolarHBondContact O-CA 3.27Å; L298-H300 VanDerWaalsContact C-N 3.27Å; H300-V302 VanDerWaalsContact C-N 3.28Å; H300-V302 VanDerWaalsContact CE1-CB 3.47Å; H300-V302 WeakPolarHBondContact CE1-CB 3.4Å; H300-V302 PolarHBondContact ND1-N 3.47Å; H300-V302 PolarHBondContact O-N 3.02Å; H300-D303 VanDerWaalsContact CB-OD1 3.24Å; H300-D303 WeakPolarHBondContact CB-OD1 3.46Å; H300-D303 IonicContact CD2-OD2 3.82Å; H300-D303 IonicContact CG-OD1 3.43Å; H300-D303 IonicContact CG-OD2 2.93Å; H300-D303 PolarHBondContact ND1-N 2.83Å; H300-D303 IonicContact ND1-OD1 2.73Å; H300-K304 WeakPolarHBondContact O-CA 3.29Å; H300-K304 PolarHBondContact O-N 3.24Å; H300-S305 WeakPolarHBondContact CB-OG 3.39Å
301V94.5Very high95.6Very high0 Ų071 Ų710%035%0.351CS..THydrogen-bonded Turntrans-66-23.9-173.6-69.70000114.2F233 A235 P237 P247 L250 K304F233-V301 HydrophobicContact CB-CB 4.44Å; F233-V301 HydrophobicContact CB-CG2 4.4Å; A235-V301 HydrophobicContact CB-CB 4.39Å; A235-V301 HydrophobicContact CB-CG1 3.69Å; P237-V301 HydrophobicContact CB-CG2 3.99Å; P247-V301 HydrophobicContact CG-CG2 4.25Å; L250-V301 HydrophobicContact CD2-CG2 4.21Å; L250-V301 WeakPolarHBondContact O-CG1 3.44Å; L250-V301 PolarHBondContact O-N 2.9Å; V301-K304 WeakPolarHBondContact O-CD 3.08Å; V301-K304 WeakPolarHBondContact O-CE 3.35Å; V301-K304 PolarHBondContact O-NZ 3.22Å
302V93.4Very high95.6Very high87 Ų8772.7 Ų72.753%0.52737%0.366SS..THydrogen-bonded Turntrans-79.8-53.7176.4-169.80000112.6F233 L250 H300F233-V302 HydrophobicContact CD1-CG2 4.22Å; F233-V302 HydrophobicContact CE1-CG2 4.28Å; L250-V302 HydrophobicContact CD2-CG2 4.01Å; H300-V302 VanDerWaalsContact C-N 3.28Å; H300-V302 VanDerWaalsContact CE1-CB 3.47Å; H300-V302 WeakPolarHBondContact CE1-CB 3.4Å; H300-V302 PolarHBondContact ND1-N 3.47Å; H300-V302 PolarHBondContact O-N 3.02Å
303D94.4Very high95.6Very high98 Ų9862.6 Ų62.652%0.52433%0.329SS..THydrogen-bonded Turntrans-83.5-13.4-175.274.96.4000114.3H300 S305H300-D303 VanDerWaalsContact CB-OD1 3.24Å; H300-D303 WeakPolarHBondContact CB-OD1 3.46Å; H300-D303 IonicContact CD2-OD2 3.82Å; H300-D303 IonicContact CG-OD1 3.43Å; H300-D303 IonicContact CG-OD2 2.93Å; H300-D303 PolarHBondContact ND1-N 2.83Å; H300-D303 IonicContact ND1-OD1 2.73Å; D303-S305 VanDerWaalsContact C-N 3.3Å; D303-S305 PolarHBondContact O-N 3.24Å; D303-S305 VanDerWaalsContact OD1-CB 3.26Å; D303-S305 WeakPolarHBondContact OD1-CB 3.49Å; D303-S305 PolarHBondContact OD1-N 2.93Å; D303-S305 PolarHBondContact OD1-OG 3.47Å; D303-S305 PolarHBondContact OD2-OG 2.83Å
304K95.6Very high95.9Very high49 Ų4957.5 Ų57.521%0.21329%0.294CS..  trans67.922.1179.9-47-54.9-172.6178.70115.2F233 N288 H300 V301 K306F233-K304 PolarHBondContact O-NZ 3.41Å; N288-K304 HydrophobicContact CB-CD 4.25Å; H300-K304 WeakPolarHBondContact O-CA 3.29Å; H300-K304 PolarHBondContact O-N 3.24Å; V301-K304 WeakPolarHBondContact O-CD 3.08Å; V301-K304 WeakPolarHBondContact O-CE 3.35Å; V301-K304 PolarHBondContact O-NZ 3.22Å; K304-K306 PolarHBondContact O-NZ 3.2Å
305S96.3Very high95.9Very high39 Ų3961.6 Ų61.627%0.27331%0.31SS..  trans-61.9147.9166.958.90000110.9L298 H299 H300 D303L298-S305 CarbonylContact C-O 3.59Å; L298-S305 WeakPolarHBondContact CA-O 3.25Å; H299-S305 PolarHBondContact N-O 3.45Å; H300-S305 WeakPolarHBondContact CB-OG 3.39Å; D303-S305 VanDerWaalsContact C-N 3.3Å; D303-S305 PolarHBondContact O-N 3.24Å; D303-S305 VanDerWaalsContact OD1-CB 3.26Å; D303-S305 WeakPolarHBondContact OD1-CB 3.49Å; D303-S305 PolarHBondContact OD1-N 2.93Å; D303-S305 PolarHBondContact OD1-OG 3.47Å; D303-S305 PolarHBondContact OD2-OG 2.83Å
306K96.6Very high95.7Very high93 Ų9360.1 Ų60.140%0.40431%0.307SS..BIsolated β-bridgetrans-123.6147.9-169.2-64.8168.6179.759.40110.5N288 V291 A296 T297 L298 K304N288-K306 WeakPolarHBondContact O-CE 3.18Å; N288-K306 PolarHBondContact O-NZ 3.25Å; V291-K306 HydrophobicContact CG1-CD 3.94Å; A296-K306 HydrophobicContact CB-CB 4.09Å; A296-K306 HydrophobicContact CB-CD 4.23Å; A296-K306 HydrophobicContact CB-CG 4.31Å; T297-K306 CarbonylContact O-C 3.6Å; T297-K306 VanDerWaalsContact O-CA 3.29Å; T297-K306 WeakPolarHBondContact O-CA 3.03Å; L298-K306 HydrophobicContact CD2-CG 4.14Å; K304-K306 PolarHBondContact O-NZ 3.2Å
307E94.6Very high95.8Very high66 Ų6660.4 Ų60.431%0.30831%0.308SS..  trans-102.1144.9164-57.9-169.5172.700109.6A296 T297 H299 R309A296-E307 WeakPolarHBondContact CB-O 3.4Å; T297-E307 HydrophobicContact CG2-CB 4.42Å; T297-E307 PolarHBondContact O-N 3.18Å; H299-E307 HydrophobicContact CB-CG 3.81Å; H299-E307 IonicContact CE1-OE1 3.74Å; H299-E307 IonicContact CG-OE1 2.82Å; H299-E307 IonicContact ND1-OE1 3.04Å; H299-E307 PolarHBondContact ND1-OE1 3.01Å; E307-R309 PolarHBondContact O-N 3.01Å
308D95.1Very high95.8Very high169 Ų16960.4 Ų60.490%0.90431%0.308SS*.SBendtrans-76.965.7176.6-168.423.6000110.8
309R95.2Very high95.9Very high138 Ų13862.5 Ų62.552%0.52132%0.322SS..  trans-148.9134-176.3-172.2167.5176.1-178-10.4110.2T297 E307 E311T297-R309 PolarHBondContact N-O 2.68Å; T297-R309 PolarHBondContact OG1-O 3.31Å; E307-R309 PolarHBondContact O-N 3.01Å; R309-E311 WeakPolarHBondContact CD-OE1 3.26Å; R309-E311 IonicContact CZ-OE1 2.72Å; R309-E311 IonicContact CZ-OE2 3.61Å; R309-E311 IonicContact NE-OE1 3.8Å; R309-E311 PolarHBondContact NE-OE1 3.27Å; R309-E311 IonicContact NE-OE2 2.68Å; R309-E311 PolarHBondContact NE-OE2 3.12Å; R309-E311 IonicContact NH1-OE1 3.67Å; R309-E311 IonicContact NH2-OE1 3.72Å; R309-E311 PolarHBondContact NH2-OE1 3.33Å; R309-E311 IonicContact NH2-OE2 3.54Å; R309-E311 PolarHBondContact NH2-OE2 3.2Å
310M96.5Very high95.9Very high79 Ų7960.3 Ų60.339%0.38931%0.312SS..  trans-127.7118.3171.7-16817771.500108L254 Y295 F314 L315L254-M310 HydrophobicContact CD1-CG 4.22Å; Y295-M310 VanDerWaalsContact O-CB 3.23Å; Y295-M310 WeakPolarHBondContact O-CB 3.31Å; Y295-M310 VanDerWaalsContact O-CG 3.29Å; Y295-M310 WeakPolarHBondContact O-CG 3.46Å; M310-F314 HydrophobicContact CG-CB 4.43Å; M310-F314 HydrophobicContact CG-CD1 4.22Å; M310-F314 HydrophobicContact SD-CD1 3.93Å; M310-F314 HydrophobicContact SD-CE1 4.46Å; M310-L315 HydrophobicContact CE-CD1 4.14Å; M310-L315 HydrophobicContact CE-CG 4.33Å
311E95.9Very high96Very high33 Ų3358 Ų5815%0.15430%0.301CS..  trans-76.3150.2179.3-54.1-66.9173.200111.1P253 R309 F313 F314P253-E311 HydrophobicContact CB-CG 4.18Å; R309-E311 WeakPolarHBondContact CD-OE1 3.26Å; R309-E311 IonicContact CZ-OE1 2.72Å; R309-E311 IonicContact CZ-OE2 3.61Å; R309-E311 IonicContact NE-OE1 3.8Å; R309-E311 PolarHBondContact NE-OE1 3.27Å; R309-E311 IonicContact NE-OE2 2.68Å; R309-E311 PolarHBondContact NE-OE2 3.12Å; R309-E311 IonicContact NH1-OE1 3.67Å; R309-E311 IonicContact NH2-OE1 3.72Å; R309-E311 PolarHBondContact NH2-OE1 3.33Å; R309-E311 IonicContact NH2-OE2 3.54Å; R309-E311 PolarHBondContact NH2-OE2 3.2Å; E311-F313 VanDerWaalsContact C-N 3.27Å; E311-F313 HydrophobicContact CB-CD1 3.67Å; E311-F313 HydrophobicContact CB-CD2 4.06Å; E311-F313 HydrophobicContact CB-CE1 3.29Å; E311-F313 HydrophobicContact CB-CE2 3.71Å; E311-F313 HydrophobicContact CB-CG 4.04Å; E311-F313 HydrophobicContact CB-CZ 3.33Å; E311-F313 HydrophobicContact CG-CD1 4.45Å; E311-F313 HydrophobicContact CG-CE1 3.59Å; E311-F313 HydrophobicContact CG-CE2 4.11Å; E311-F313 HydrophobicContact CG-CZ 3.39Å; E311-F313 PolarHBondContact O-N 3.29Å; E311-F314 WeakPolarHBondContact O-CB 3.1Å; E311-F314 PolarHBondContact O-N 2.98Å; E311-F314 VanDerWaalsContact O-N 3.16Å
312S96.5Very high96.2Very high89 Ų8958.6 Ų58.662%0.62230%0.304SS*.Hα-helixtrans-61-36-179.451.40000113F314 L315 S316S312-F314 PolarHBondContact O-N 3.21Å; S312-L315 PolarHBondContact O-N 3.29Å; S312-L315 VanDerWaalsContact O-N 3.1Å; S312-S316 PolarHBondContact O-N 3.33Å; S312-S316 VanDerWaalsContact O-N 3.13Å
313F96.7Very high96.3Very high35 Ų3561.3 Ų61.315%0.15431%0.306CS..Hα-helixtrans-63.9-20.1179.254.7-109.7000113P253 E311 L315 S316 E317 T318P253-F313 HydrophobicContact CB-CZ 4.22Å; P253-F313 HydrophobicContact CG-CZ 4.3Å; P253-F313 WeakPolarHBondContact O-CE2 2.94Å; P253-F313 WeakPolarHBondContact O-CZ 3Å; E311-F313 VanDerWaalsContact C-N 3.27Å; E311-F313 HydrophobicContact CB-CD1 3.67Å; E311-F313 HydrophobicContact CB-CD2 4.06Å; E311-F313 HydrophobicContact CB-CE1 3.29Å; E311-F313 HydrophobicContact CB-CE2 3.71Å; E311-F313 HydrophobicContact CB-CG 4.04Å; E311-F313 HydrophobicContact CB-CZ 3.33Å; E311-F313 HydrophobicContact CG-CD1 4.45Å; E311-F313 HydrophobicContact CG-CE1 3.59Å; E311-F313 HydrophobicContact CG-CE2 4.11Å; E311-F313 HydrophobicContact CG-CZ 3.39Å; E311-F313 PolarHBondContact O-N 3.29Å; F313-L315 PolarHBondContact O-N 3.01Å; F313-S316 PolarHBondContact O-N 2.02Å; F313-E317 HydrophobicContact CB-CG 4.3Å; F313-E317 VanDerWaalsContact CB-OE1 3.25Å; F313-E317 WeakPolarHBondContact CB-OE1 3.16Å; F313-E317 WeakPolarHBondContact O-CA 3.45Å; F313-E317 VanDerWaalsContact O-CB 3.24Å; F313-E317 WeakPolarHBondContact O-CB 3.22Å; F313-E317 PolarHBondContact O-N 3.06Å; F313-T318 PolarHBondContact O-N 3.27Å
314F97.4Very high96.4Very high4 Ų456.9 Ų56.92%0.01828%0.282CS..Iπ-helixtrans-59-41.9172.7177.5-107.7000111.2L254 L285 Y295 M310 E311 S312 T318 C319L254-F314 HydrophobicContact CB-CB 4.16Å; L254-F314 HydrophobicContact CB-CD2 3.55Å; L254-F314 HydrophobicContact CB-CE2 4.27Å; L254-F314 HydrophobicContact CB-CG 4.1Å; L254-F314 HydrophobicContact CD1-CB 4.27Å; L254-F314 HydrophobicContact CD1-CD1 4.45Å; L254-F314 HydrophobicContact CD1-CD2 3.93Å; L254-F314 HydrophobicContact CD1-CE2 4.39Å; L254-F314 HydrophobicContact CD1-CG 3.94Å; L254-F314 HydrophobicContact CG-CD2 4.28Å; L285-F314 HydrophobicContact CD1-CE2 4.4Å; Y295-F314 HydrophobicContact CD1-CE1 4.42Å; Y295-F314 AromaticContact CD1-CZ 3.88Å; Y295-F314 HydrophobicContact CD1-CZ 3.88Å; Y295-F314 HydrophobicContact CD2-CD1 4.22Å; Y295-F314 AromaticContact CD2-CE1 3.15Å; Y295-F314 HydrophobicContact CD2-CE1 3.15Å; Y295-F314 AromaticContact CD2-CZ 3.42Å; Y295-F314 HydrophobicContact CD2-CZ 3.42Å; Y295-F314 VanDerWaalsContact CD2-CZ 3.42Å; Y295-F314 HydrophobicContact CE1-CZ 4.24Å; Y295-F314 AromaticContact CE2-CE1 3.72Å; Y295-F314 HydrophobicContact CE2-CE1 3.72Å; Y295-F314 AromaticContact CE2-CZ 3.8Å; Y295-F314 HydrophobicContact CE2-CZ 3.8Å; Y295-F314 AromaticContact CG-CE1 3.56Å; Y295-F314 HydrophobicContact CG-CE1 3.56Å; Y295-F314 HydrophobicContact CG-CE2 4.38Å; Y295-F314 AromaticContact CG-CZ 3.46Å; Y295-F314 HydrophobicContact CG-CZ 3.46Å; Y295-F314 VanDerWaalsContact CG-CZ 3.46Å; M310-F314 HydrophobicContact CG-CB 4.43Å; M310-F314 HydrophobicContact CG-CD1 4.22Å; M310-F314 HydrophobicContact SD-CD1 3.93Å; M310-F314 HydrophobicContact SD-CE1 4.46Å; E311-F314 WeakPolarHBondContact O-CB 3.1Å; E311-F314 PolarHBondContact O-N 2.98Å; E311-F314 VanDerWaalsContact O-N 3.16Å; S312-F314 PolarHBondContact O-N 3.21Å; F314-T318 HydrophobicContact CD2-CG2 3.85Å; F314-T318 HydrophobicContact CE2-CG2 3.8Å; F314-T318 PolarHBondContact O-N 2.93Å; F314-C319 WeakPolarHBondContact CE1-SG 3.32Å; F314-C319 VanDerWaalsContact CZ-SG 3.54Å; F314-C319 WeakPolarHBondContact O-CB 3.48Å; F314-C319 PolarHBondContact O-N 3.47Å; F314-C319 PolarHBondContact O-SG 3.16Å; F314-C319 VanDerWaalsContact O-SG 3.41Å
315L95.3Very high96.5Very high107 Ų10754.6 Ų54.656%0.5627%0.272SS*.Iπ-helixtrans-78.9-42.7176.8-62.1179.4000112M310 S312 F313 E317M310-L315 HydrophobicContact CE-CD1 4.14Å; M310-L315 HydrophobicContact CE-CG 4.33Å; S312-L315 PolarHBondContact O-N 3.29Å; S312-L315 VanDerWaalsContact O-N 3.1Å; F313-L315 PolarHBondContact O-N 3.01Å; L315-E317 VanDerWaalsContact C-N 3.31Å; L315-E317 PolarHBondContact O-N 3.31Å
316S94.6Very high96.5Very high23 Ų2356.8 Ų56.816%0.16128%0.277CS..Iπ-helixtrans-68.6-30.9-178.8-170.10000112.1S312 F313 K320 E344 H346S312-S316 PolarHBondContact O-N 3.33Å; S312-S316 VanDerWaalsContact O-N 3.13Å; F313-S316 PolarHBondContact O-N 2.02Å; S316-K320 VanDerWaalsContact O-CB 3.31Å; S316-K320 WeakPolarHBondContact O-CB 3.47Å; S316-K320 WeakPolarHBondContact O-CD 3.26Å; S316-K320 WeakPolarHBondContact O-CE 3.34Å; S316-K320 PolarHBondContact O-NZ 2.73Å; S316-E344 PolarHBondContact OG-O 2.98Å; S316-H346 PolarHBondContact OG-CE1 3.35Å; S316-H346 PolarHBondContact OG-ND1 3.2Å
317E98.1Very high96.3Very high11 Ų1154.4 Ų54.45%0.05127%0.268CS..Iπ-helixtrans-126.3-65.7-166.3-56-169.7-105.700112.1P256 F313 L315 C319 K320 Y321 T343 E344P256-E317 HydrophobicContact CB-CB 3.36Å; P256-E317 HydrophobicContact CB-CG 4.46Å; P256-E317 HydrophobicContact CG-CB 3.68Å; P256-E317 HydrophobicContact CG-CG 4.31Å; F313-E317 HydrophobicContact CB-CG 4.3Å; F313-E317 VanDerWaalsContact CB-OE1 3.25Å; F313-E317 WeakPolarHBondContact CB-OE1 3.16Å; F313-E317 WeakPolarHBondContact O-CA 3.45Å; F313-E317 VanDerWaalsContact O-CB 3.24Å; F313-E317 WeakPolarHBondContact O-CB 3.22Å; F313-E317 PolarHBondContact O-N 3.06Å; L315-E317 VanDerWaalsContact C-N 3.31Å; L315-E317 PolarHBondContact O-N 3.31Å; E317-C319 PolarHBondContact O-N 2.88Å; E317-K320 CarbonylContact O-C 3.59Å; E317-K320 WeakPolarHBondContact O-CA 3.28Å; E317-K320 WeakPolarHBondContact O-CB 3.4Å; E317-K320 PolarHBondContact O-N 3.26Å; E317-Y321 HydrophobicContact CB-CD2 4.19Å; E317-Y321 HydrophobicContact CB-CE2 3.92Å; E317-Y321 WeakPolarHBondContact O-CD2 3.13Å; E317-Y321 PolarHBondContact O-N 3.2Å; E317-T343 VanDerWaalsContact OE2-O 3.08Å; E317-E344 WeakPolarHBondContact CG-O 3.25Å
318T97.6Very high96Very high0 Ų056.5 Ų56.50%028%0.278CS..Iπ-helixtrans-56.8-51.7-173.5-55.90000111.6L254 P256 V259 L285 F313 F314 K320 L322L254-T318 PolarHBondContact O-OG1 3.12Å; P256-T318 VanDerWaalsContact CA-OG1 3.31Å; P256-T318 WeakPolarHBondContact CA-OG1 3.2Å; P256-T318 WeakPolarHBondContact CB-OG1 3.36Å; V259-T318 HydrophobicContact CG2-CG2 4.25Å; L285-T318 HydrophobicContact CD1-CG2 4.02Å; F313-T318 PolarHBondContact O-N 3.27Å; F314-T318 HydrophobicContact CD2-CG2 3.85Å; F314-T318 HydrophobicContact CE2-CG2 3.8Å; F314-T318 PolarHBondContact O-N 2.93Å; T318-K320 VanDerWaalsContact C-N 3.34Å; T318-K320 PolarHBondContact O-N 3.02Å; T318-L322 HydrophobicContact CG2-CD1 4.32Å; T318-L322 WeakPolarHBondContact O-CB 3.44Å; T318-L322 WeakPolarHBondContact O-CG 3.21Å; T318-L322 PolarHBondContact O-N 3.01Å; T318-L322 VanDerWaalsContact O-N 3.1Å
319C97.4Very high95.7Very high45 Ų4555 Ų5530%0.30427%0.27SS..Hα-helixtrans-63.8-38.5175.8-70.80000112.4F314 E317 Y323F314-C319 WeakPolarHBondContact CE1-SG 3.32Å; F314-C319 VanDerWaalsContact CZ-SG 3.54Å; F314-C319 WeakPolarHBondContact O-CB 3.48Å; F314-C319 PolarHBondContact O-N 3.47Å; F314-C319 PolarHBondContact O-SG 3.16Å; F314-C319 VanDerWaalsContact O-SG 3.41Å; E317-C319 PolarHBondContact O-N 2.88Å; C319-Y323 WeakPolarHBondContact O-CB 3.35Å; C319-Y323 PolarHBondContact O-N 3.47Å
320K97Very high95.5Very high52 Ų5248.9 Ų48.923%0.22625%0.248CC..Hα-helixtrans-65.3-51.1-178.9-177.5-175.9-69151.20111.1S316 E317 T318 L322 Y323 L324 F341 G345S316-K320 VanDerWaalsContact O-CB 3.31Å; S316-K320 WeakPolarHBondContact O-CB 3.47Å; S316-K320 WeakPolarHBondContact O-CD 3.26Å; S316-K320 WeakPolarHBondContact O-CE 3.34Å; S316-K320 PolarHBondContact O-NZ 2.73Å; E317-K320 CarbonylContact O-C 3.59Å; E317-K320 WeakPolarHBondContact O-CA 3.28Å; E317-K320 WeakPolarHBondContact O-CB 3.4Å; E317-K320 PolarHBondContact O-N 3.26Å; T318-K320 VanDerWaalsContact C-N 3.34Å; T318-K320 PolarHBondContact O-N 3.02Å; K320-L322 PolarHBondContact O-N 3.17Å; K320-Y323 PolarHBondContact O-N 3.05Å; K320-L324 HydrophobicContact CG-CD1 4.02Å; K320-L324 HydrophobicContact CG-CG 4.48Å; K320-L324 WeakPolarHBondContact O-CB 3.3Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.39Å; K320-L324 PolarHBondContact O-N 3.44Å; K320-F341 HydrophobicContact CD-CE1 4.32Å; K320-G345 WeakPolarHBondContact CD-O 3.42Å; K320-G345 PolarHBondContact NZ-O 3.43Å
321Y98Very high95.1Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-66.8-36.8-179.8-64.4-53.7000112P256 E260 Y263 E317 L325 F341 G345P256-Y321 HydrophobicContact CB-CD2 4.42Å; E260-Y321 HydrophobicContact CB-CD2 3.76Å; E260-Y321 HydrophobicContact CB-CE1 4.45Å; E260-Y321 HydrophobicContact CB-CE2 3.58Å; E260-Y321 HydrophobicContact CB-CG 4.28Å; E260-Y321 HydrophobicContact CG-CD2 4.37Å; E260-Y321 HydrophobicContact CG-CE1 4.05Å; E260-Y321 HydrophobicContact CG-CE2 3.82Å; Y263-Y321 AromaticContact CD1-CD1 3.85Å; Y263-Y321 HydrophobicContact CD1-CD1 3.85Å; Y263-Y321 HydrophobicContact CD1-CE1 4.36Å; Y263-Y321 HydrophobicContact CE1-CD1 4.45Å; Y263-Y321 HydrophobicContact CG-CD1 4.3Å; E317-Y321 HydrophobicContact CB-CD2 4.19Å; E317-Y321 HydrophobicContact CB-CE2 3.92Å; E317-Y321 WeakPolarHBondContact O-CD2 3.13Å; E317-Y321 PolarHBondContact O-N 3.2Å; Y321-L325 VanDerWaalsContact O-CB 3.24Å; Y321-L325 WeakPolarHBondContact O-CB 3.34Å; Y321-L325 PolarHBondContact O-N 3.47Å; Y321-F341 AromaticContact CE1-CD1 4Å; Y321-F341 HydrophobicContact CE1-CD1 4Å; Y321-F341 HydrophobicContact CE1-CD2 4.21Å; Y321-F341 HydrophobicContact CE1-CE1 4.18Å; Y321-F341 HydrophobicContact CE1-CE2 4.44Å; Y321-F341 HydrophobicContact CE1-CG 4.01Å; Y321-F341 HydrophobicContact CE1-CZ 4.41Å; Y321-G345 WeakPolarHBondContact OH-CA 3.41Å
322L97.6Very high94.7Very high13 Ų1345.7 Ų45.77%0.06824%0.235CC..Hα-helixtrans-63.5-44.4171.5-76.2173.3000111.9V259 I281 L282 L285 T318 K320 L325 F326V259-L322 HydrophobicContact CG1-CB 4.46Å; V259-L322 HydrophobicContact CG1-CD2 3.77Å; V259-L322 HydrophobicContact CG1-CG 3.64Å; I281-L322 HydrophobicContact CG2-CD2 4.27Å; L282-L322 HydrophobicContact CD1-CD1 4.27Å; L285-L322 HydrophobicContact CD1-CD1 3.91Å; T318-L322 HydrophobicContact CG2-CD1 4.32Å; T318-L322 WeakPolarHBondContact O-CB 3.44Å; T318-L322 WeakPolarHBondContact O-CG 3.21Å; T318-L322 PolarHBondContact O-N 3.01Å; T318-L322 VanDerWaalsContact O-N 3.1Å; K320-L322 PolarHBondContact O-N 3.17Å; L322-L325 PolarHBondContact O-N 2.88Å; L322-F326 HydrophobicContact CD2-CE2 4.47Å; L322-F326 WeakPolarHBondContact O-CD2 3.18Å; L322-F326 PolarHBondContact O-N 3.47Å
323Y96.8Very high94.4Very high144 Ų14442.9 Ų42.957%0.56521%0.212SC*.Hα-helixtrans-60.2-50177177.1-90000111C319 K320 L325 F326 D327C319-Y323 WeakPolarHBondContact O-CB 3.35Å; C319-Y323 PolarHBondContact O-N 3.47Å; K320-Y323 PolarHBondContact O-N 3.05Å; Y323-L325 VanDerWaalsContact C-N 3.28Å; Y323-L325 PolarHBondContact O-N 3.45Å; Y323-F326 PolarHBondContact O-N 3.21Å; Y323-D327 HydrophobicContact CD1-CB 4.37Å; Y323-D327 HydrophobicContact CE1-CB 3.91Å; Y323-D327 WeakPolarHBondContact CE1-OD2 3.27Å; Y323-D327 WeakPolarHBondContact O-CB 3.43Å; Y323-D327 PolarHBondContact O-N 3.23Å; Y323-D327 PolarHBondContact OH-OD2 2.93Å
324L96.2Very high93.7Very high6 Ų646.6 Ų46.63%0.03123%0.228CC..Hα-helixtrans-66.1-28.5178.7-65.5176.9000112.9Y263 K320 F326 N330 L332 H333 F341Y263-L324 HydrophobicContact CD2-CB 3.93Å; Y263-L324 HydrophobicContact CE2-CB 3.5Å; K320-L324 HydrophobicContact CG-CD1 4.02Å; K320-L324 HydrophobicContact CG-CG 4.48Å; K320-L324 WeakPolarHBondContact O-CB 3.3Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.39Å; K320-L324 PolarHBondContact O-N 3.44Å; L324-F326 VanDerWaalsContact C-N 3.26Å; L324-F326 PolarHBondContact O-N 3.26Å; L324-N330 HydrophobicContact CD2-CB 4.3Å; L324-L332 HydrophobicContact CD1-CD1 3.74Å; L324-L332 HydrophobicContact CD2-CD1 3.78Å; L324-L332 HydrophobicContact CG-CD1 4.43Å; L324-H333 PolarHBondContact O-CE1 3.22Å; L324-H333 PolarHBondContact O-NE2 3.08Å; L324-F341 HydrophobicContact CD1-CE1 3.9Å; L324-F341 HydrophobicContact CD1-CZ 3.67Å
325L96.4Very high92.4Very high0 Ų051.7 Ų51.70%026%0.264CS..Hα-helixtrans-62.9-35.6175.9179.861.9000112.1T262 Y263 Y266 L275 Y321 L322 Y323T262-L325 HydrophobicContact CG2-CD2 3.96Å; Y263-L325 HydrophobicContact CD2-CB 4.43Å; Y266-L325 HydrophobicContact CD1-CD1 3.7Å; Y266-L325 HydrophobicContact CG-CD1 3.73Å; L275-L325 HydrophobicContact CD2-CD1 3.88Å; L275-L325 HydrophobicContact CD2-CG 3.99Å; L275-L325 WeakPolarHBondContact CD2-O 3.46Å; Y321-L325 VanDerWaalsContact O-CB 3.24Å; Y321-L325 WeakPolarHBondContact O-CB 3.34Å; Y321-L325 PolarHBondContact O-N 3.47Å; L322-L325 PolarHBondContact O-N 2.88Å; Y323-L325 VanDerWaalsContact C-N 3.28Å; Y323-L325 PolarHBondContact O-N 3.45Å
326F96.1Very high91.2Very high86 Ų8653.5 Ų53.538%0.37727%0.274SS..Hα-helixtrans-100.2-17.8-176.8-60.5-61.3000114.5L275 M279 L322 Y323 L324 E328L275-F326 HydrophobicContact CB-CE1 4.48Å; L275-F326 HydrophobicContact CD2-CD1 4.17Å; L275-F326 HydrophobicContact CD2-CE1 4.3Å; M279-F326 HydrophobicContact CB-CZ 4.5Å; L322-F326 HydrophobicContact CD2-CE2 4.47Å; L322-F326 WeakPolarHBondContact O-CD2 3.18Å; L322-F326 PolarHBondContact O-N 3.47Å; Y323-F326 PolarHBondContact O-N 3.21Å; L324-F326 VanDerWaalsContact C-N 3.26Å; L324-F326 PolarHBondContact O-N 3.26Å; F326-E328 PolarHBondContact O-N 2.91Å; F326-E328 VanDerWaalsContact O-N 3.17Å
327D94.3Very high90.1Very high42 Ų4253.7 Ų53.723%0.22527%0.274CS..  trans-85.473.9177.1-1749.4000111.3Y323 D329 N330 H333Y323-D327 HydrophobicContact CD1-CB 4.37Å; Y323-D327 HydrophobicContact CE1-CB 3.91Å; Y323-D327 WeakPolarHBondContact CE1-OD2 3.27Å; Y323-D327 WeakPolarHBondContact O-CB 3.43Å; Y323-D327 PolarHBondContact O-N 3.23Å; Y323-D327 PolarHBondContact OH-OD2 2.93Å; D327-D329 VanDerWaalsContact C-N 3.26Å; D327-D329 PolarHBondContact O-N 2.93Å; D327-N330 HydrophobicContact CB-CB 4.21Å; D327-N330 WeakPolarHBondContact O-CB 3.49Å; D327-N330 PolarHBondContact O-N 3.38Å; D327-N330 VanDerWaalsContact O-N 3.09Å; D327-N330 WeakPolarHBondContact OD2-CB 3.43Å; D327-N330 PolarHBondContact OD2-ND2 2.9Å; D327-H333 PolarHBondContact O-CE1 3.15Å; D327-H333 PolarHBondContact O-ND1 2.87Å
328E87.1Confident89.5Confident110 Ų11060 Ų6051%0.51430%0.301SS..THydrogen-bonded Turntrans-57.9-35.7-172-60.9-16415600113.9Y266 F326 N330 H333Y266-E328 PolarHBondContact OH-OE1 3.07Å; F326-E328 PolarHBondContact O-N 2.91Å; F326-E328 VanDerWaalsContact O-N 3.17Å; E328-N330 VanDerWaalsContact C-N 3.26Å; E328-N330 PolarHBondContact O-N 3.25Å; E328-H333 PolarHBondContact O-ND1 3.46Å; E328-H333 VanDerWaalsContact O-ND1 3.09Å
329D88.6Confident89.2Confident137 Ų13761.7 Ų61.773%0.73331%0.308SS*.THydrogen-bonded Turntrans-83.83.1-177.5-70.3-43000113.9D327D327-D329 VanDerWaalsContact C-N 3.26Å; D327-D329 PolarHBondContact O-N 2.93Å
330N90.9Very high89Confident11 Ų1160 Ų606%0.05930%0.295CS..  trans-53.4137.8-177.9-164.6-78.4000111.6L324 D327 E328 L332 H333L324-N330 HydrophobicContact CD2-CB 4.3Å; D327-N330 HydrophobicContact CB-CB 4.21Å; D327-N330 WeakPolarHBondContact O-CB 3.49Å; D327-N330 PolarHBondContact O-N 3.38Å; D327-N330 VanDerWaalsContact O-N 3.09Å; D327-N330 WeakPolarHBondContact OD2-CB 3.43Å; D327-N330 PolarHBondContact OD2-ND2 2.9Å; E328-N330 VanDerWaalsContact C-N 3.26Å; E328-N330 PolarHBondContact O-N 3.25Å; N330-L332 PolarHBondContact O-N 2.95Å; N330-L332 WeakPolarHBondContact OD1-CB 3.5Å; N330-L332 WeakPolarHBondContact OD1-CG 3.45Å; N330-L332 PolarHBondContact OD1-N 2.99Å; N330-H333 PolarHBondContact O-N 2.92Å
331P87.9Confident89Confident27 Ų2758.1 Ų58.118%0.17529%0.287CS..G310 helixtrans-51.9-27.7176.2-28.134.6000114.9P10 F11 H333 K334 N337P10-P331 HydrophobicContact CB-CB 4.09Å; P10-P331 VanDerWaalsContact O-CB 3.23Å; P10-P331 WeakPolarHBondContact O-CB 3.16Å; P10-P331 WeakPolarHBondContact O-CG 3.32Å; F11-P331 HydrophobicContact CD1-CB 4.27Å; F11-P331 HydrophobicContact CD1-CG 4Å; F11-P331 HydrophobicContact CE1-CB 4.13Å; F11-P331 HydrophobicContact CE1-CG 4.23Å; P331-H333 VanDerWaalsContact C-N 3.29Å; P331-H333 PolarHBondContact O-N 3.23Å; P331-K334 PolarHBondContact O-N 3.03Å; P331-N337 VanDerWaalsContact O-CB 3.26Å; P331-N337 WeakPolarHBondContact O-CB 3.27Å; P331-N337 PolarHBondContact O-ND2 2.83Å
332L88.8Confident88.9Confident18 Ų1858.4 Ų58.49%0.09429%0.289CS..G310 helixtrans-67.4-24.3176.5-68.4-178.1000114.2F11 L324 N330 Y339 F341 V347F11-L332 HydrophobicContact CE1-CD2 4.43Å; F11-L332 HydrophobicContact CE1-CG 4.01Å; F11-L332 HydrophobicContact CE2-CD2 4.36Å; F11-L332 HydrophobicContact CZ-CD1 4.19Å; F11-L332 HydrophobicContact CZ-CD2 3.56Å; F11-L332 HydrophobicContact CZ-CG 3.61Å; L324-L332 HydrophobicContact CD1-CD1 3.74Å; L324-L332 HydrophobicContact CD2-CD1 3.78Å; L324-L332 HydrophobicContact CG-CD1 4.43Å; N330-L332 PolarHBondContact O-N 2.95Å; N330-L332 WeakPolarHBondContact OD1-CB 3.5Å; N330-L332 WeakPolarHBondContact OD1-CG 3.45Å; N330-L332 PolarHBondContact OD1-N 2.99Å; L332-Y339 HydrophobicContact CD2-CD1 3.89Å; L332-Y339 HydrophobicContact CD2-CD2 3.29Å; L332-Y339 HydrophobicContact CD2-CE1 4.32Å; L332-Y339 HydrophobicContact CD2-CE2 3.76Å; L332-Y339 HydrophobicContact CD2-CG 3.37Å; L332-F341 HydrophobicContact CD1-CE1 4.39Å; L332-F341 HydrophobicContact CD1-CZ 4.13Å; L332-V347 HydrophobicContact CD1-CG2 4.06Å; L332-V347 HydrophobicContact CD2-CG1 3.75Å
333H88.8Confident88.8Confident29 Ų2959.9 Ų59.913%0.13430%0.298CS..G310 helixtrans-88-12.9-178.6-55.4153.1000112.9Y263 Q267 L324 D327 E328 N330 P331 S335Y263-H333 AromaticContact CE2-NE2 3.4Å; Y263-H333 WeakPolarHBondContact CE2-NE2 3.39Å; Y263-H333 AromaticContact CZ-NE2 3.79Å; Y263-H333 PolarHBondContact OH-CD2 3.48Å; Y263-H333 PolarHBondContact OH-NE2 3.1Å; Q267-H333 VanDerWaalsContact CD-CD2 3.49Å; Q267-H333 PolarHBondContact NE2-CD2 2.96Å; Q267-H333 PolarHBondContact NE2-NE2 3.45Å; L324-H333 PolarHBondContact O-CE1 3.22Å; L324-H333 PolarHBondContact O-NE2 3.08Å; D327-H333 PolarHBondContact O-CE1 3.15Å; D327-H333 PolarHBondContact O-ND1 2.87Å; E328-H333 PolarHBondContact O-ND1 3.46Å; E328-H333 VanDerWaalsContact O-ND1 3.09Å; N330-H333 PolarHBondContact O-N 2.92Å; P331-H333 VanDerWaalsContact C-N 3.29Å; P331-H333 PolarHBondContact O-N 3.23Å; H333-S335 PolarHBondContact O-N 2.77Å
334K83.1Confident88.8Confident114 Ų11456.4 Ų56.450%0.49629%0.287SS..SBendtrans-72.5130.1-176.9-62.3-176-178.4177.70109.5P331 D336 N337P331-K334 PolarHBondContact O-N 3.03Å; K334-D336 PolarHBondContact O-N 3.33Å; K334-D336 VanDerWaalsContact O-N 3.1Å; K334-N337 HydrophobicContact CB-CB 4.38Å; K334-N337 CarbonylContact O-C 3.56Å; K334-N337 WeakPolarHBondContact O-CA 3.42Å; K334-N337 WeakPolarHBondContact O-CB 3.44Å; K334-N337 PolarHBondContact O-N 2.97Å
335S69.7Low88.7Confident110 Ų11056.1 Ų56.177%0.76929%0.286SS*.THydrogen-bonded Turntrans-62-23.3-174.8-53.60000114.5H333 N337H333-S335 PolarHBondContact O-N 2.77Å; S335-N337 PolarHBondContact O-N 2.69Å
336D69Low88.7Confident146 Ų14660.7 Ų60.778%0.78131%0.307SS*.THydrogen-bonded Turntrans-71-17.8175-61.6-31.4000112.9K334K334-D336 PolarHBondContact O-N 3.33Å; K334-D336 VanDerWaalsContact O-N 3.1Å
337N72.4Confident88.6Confident27 Ų2757.8 Ų57.814%0.14430%0.296CS..SBendtrans-112.192.4-173.7-84-7.6000109.4P331 K334 S335 Y339P331-N337 VanDerWaalsContact O-CB 3.26Å; P331-N337 WeakPolarHBondContact O-CB 3.27Å; P331-N337 PolarHBondContact O-ND2 2.83Å; K334-N337 HydrophobicContact CB-CB 4.38Å; K334-N337 CarbonylContact O-C 3.56Å; K334-N337 WeakPolarHBondContact O-CA 3.42Å; K334-N337 WeakPolarHBondContact O-CB 3.44Å; K334-N337 PolarHBondContact O-N 2.97Å; S335-N337 PolarHBondContact O-N 2.69Å; N337-Y339 HydrophobicContact CB-CD2 4.06Å; N337-Y339 HydrophobicContact CB-CE2 3.67Å
338K86.2Confident88.5Confident144 Ų14456.1 Ų56.163%0.62629%0.287SS*.  trans-89.2112.6-179.5-63.3-177.1-177.4-179.40109.6I350K338-I350 HydrophobicContact CB-CB 3.96Å; K338-I350 HydrophobicContact CB-CD1 4.15Å; K338-I350 HydrophobicContact CB-CG1 4.46Å; K338-I350 PolarHBondContact O-N 3.34Å
339Y90.9Very high88.7Confident35 Ų3551.2 Ų51.214%0.13727%0.265CS..EExtended strand (participates in β ladder)trans-123.8156.7177.8-70.4-86.1000111.2L3 D6 P10 L332 N337 V347 V348 P349L3-Y339 HydrophobicContact CD2-CE1 4.15Å; D6-Y339 PolarHBondContact OD2-OH 2.92Å; P10-Y339 WeakPolarHBondContact CG-OH 3.4Å; L332-Y339 HydrophobicContact CD2-CD1 3.89Å; L332-Y339 HydrophobicContact CD2-CD2 3.29Å; L332-Y339 HydrophobicContact CD2-CE1 4.32Å; L332-Y339 HydrophobicContact CD2-CE2 3.76Å; L332-Y339 HydrophobicContact CD2-CG 3.37Å; N337-Y339 HydrophobicContact CB-CD2 4.06Å; N337-Y339 HydrophobicContact CB-CE2 3.67Å; Y339-V347 HydrophobicContact CD1-CG1 3.35Å; Y339-V347 HydrophobicContact CE1-CG1 3.9Å; Y339-V347 HydrophobicContact CG-CG1 4.02Å; Y339-V348 CarbonylContact C-O 3.56Å; Y339-V348 WeakPolarHBondContact CA-O 3.47Å; Y339-P349 VanDerWaalsContact CD1-CA 3.49Å; Y339-P349 HydrophobicContact CD1-CB 3.93Å; Y339-P349 HydrophobicContact CE1-CB 3.54Å; Y339-P349 HydrophobicContact CE1-CG 4.24Å
340I93.5Very high88.8Confident8 Ų846.9 Ų46.94%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-134.9153.9169.9-160.3166.9000108.8K142 I145 L146 V348 I350K142-I340 HydrophobicContact CB-CD1 3.8Å; K142-I340 HydrophobicContact CD-CD1 4.19Å; K142-I340 HydrophobicContact CD-CG1 4.24Å; K142-I340 HydrophobicContact CG-CD1 3.66Å; K142-I340 HydrophobicContact CG-CG1 4.26Å; I145-I340 HydrophobicContact CB-CD1 4Å; I145-I340 HydrophobicContact CD1-CD1 3.95Å; I145-I340 HydrophobicContact CG2-CD1 3.9Å; L146-I340 HydrophobicContact CD1-CG2 3.91Å; L146-I340 HydrophobicContact CD2-CG2 3.53Å; L146-I340 HydrophobicContact CG-CG2 3.75Å; I340-V348 HydrophobicContact CG2-CB 4.06Å; I340-V348 PolarHBondContact N-O 2.95Å; I340-V348 PolarHBondContact O-N 2.82Å; I340-I350 HydrophobicContact CB-CD1 4.38Å; I340-I350 HydrophobicContact CB-CG1 4.42Å; I340-I350 HydrophobicContact CG2-CG1 4.43Å
341F95.8Very high88.6Confident14 Ų1449.3 Ų49.36%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-100.1141.8176.4-60.5-86.8000109.6K142 Y263 K320 Y321 L324 L332 H346 V347K142-F341 WeakPolarHBondContact CD-O 3.5Å; K142-F341 VanDerWaalsContact CE-O 3.27Å; K142-F341 WeakPolarHBondContact CE-O 3.45Å; K142-F341 PolarHBondContact NZ-O 2.76Å; Y263-F341 AromaticContact CE1-CE2 3.68Å; Y263-F341 HydrophobicContact CE1-CE2 3.68Å; Y263-F341 HydrophobicContact CE1-CZ 4.01Å; K320-F341 HydrophobicContact CD-CE1 4.32Å; Y321-F341 AromaticContact CE1-CD1 4Å; Y321-F341 HydrophobicContact CE1-CD1 4Å; Y321-F341 HydrophobicContact CE1-CD2 4.21Å; Y321-F341 HydrophobicContact CE1-CE1 4.18Å; Y321-F341 HydrophobicContact CE1-CE2 4.44Å; Y321-F341 HydrophobicContact CE1-CG 4.01Å; Y321-F341 HydrophobicContact CE1-CZ 4.41Å; L324-F341 HydrophobicContact CD1-CE1 3.9Å; L324-F341 HydrophobicContact CD1-CZ 3.67Å; L332-F341 HydrophobicContact CD1-CE1 4.39Å; L332-F341 HydrophobicContact CD1-CZ 4.13Å; F341-H346 CarbonylContact C-O 3.51Å; F341-H346 VanDerWaalsContact CA-O 3.29Å; F341-H346 WeakPolarHBondContact CA-O 3.2Å; F341-V347 HydrophobicContact CD1-CG2 3.93Å; F341-V347 HydrophobicContact CE1-CG2 3.54Å; F341-V347 HydrophobicContact CZ-CG2 4.46Å
342T96.8Very high88.6Confident5 Ų555.3 Ų55.33%0.03128%0.278CS..  trans-68.8177.2162.668.60000110.5V74 E75 E344 G345 H346 V348V74-T342 HydrophobicContact CG1-CG2 4.02Å; E75-T342 WeakPolarHBondContact OE1-CG2 3.27Å; T342-E344 PolarHBondContact O-N 3.32Å; T342-E344 PolarHBondContact OG1-N 3.48Å; T342-G345 PolarHBondContact O-N 3.3Å; T342-H346 HydrophobicContact CG2-CB 4.05Å; T342-H346 PolarHBondContact N-O 3.04Å; T342-H346 VanDerWaalsContact OG1-CB 3.3Å; T342-H346 WeakPolarHBondContact OG1-CB 3.32Å; T342-H346 PolarHBondContact OG1-N 2.94Å; T342-H346 VanDerWaalsContact OG1-N 3.08Å; T342-V348 HydrophobicContact CG2-CG2 3.89Å
343T96.1Very high88.5Confident44 Ų4457.8 Ų57.827%0.2729%0.286SS..THydrogen-bonded Turntrans-65.3-22.4177.5-158.10000112.1S135 E138 Y139 E317 G345S135-T343 WeakPolarHBondContact CB-OG1 3.39Å; E138-T343 VanDerWaalsContact OE1-CA 3.24Å; E138-T343 WeakPolarHBondContact OE1-CA 3.34Å; E138-T343 WeakPolarHBondContact OE1-CB 3.37Å; E138-T343 PolarHBondContact OE1-N 3.1Å; E138-T343 VanDerWaalsContact OE2-CB 3.31Å; E138-T343 WeakPolarHBondContact OE2-CB 3.45Å; E138-T343 PolarHBondContact OE2-OG1 3.5Å; Y139-T343 HydrophobicContact CE1-CG2 4.06Å; Y139-T343 PolarHBondContact OH-N 3.21Å; E317-T343 VanDerWaalsContact OE2-O 3.08Å; T343-G345 VanDerWaalsContact C-N 3.31Å
344E96.8Very high88.6Confident71 Ų7156.4 Ų56.433%0.33228%0.28SS..THydrogen-bonded Turntrans-95.621.6174.8-161.672.5-164.300112.2S316 E317 T342 H346S316-E344 PolarHBondContact OG-O 2.98Å; E317-E344 WeakPolarHBondContact CG-O 3.25Å; T342-E344 PolarHBondContact O-N 3.32Å; T342-E344 PolarHBondContact OG1-N 3.48Å; E344-H346 PolarHBondContact O-N 3.13Å; E344-H346 VanDerWaalsContact O-N 3.15Å; E344-H346 PolarHBondContact O-ND1 2.88Å
345G94.3Very high89Confident0 Ų057.3 Ų57.30%028%0.28CS..  trans65.117.717900000115.3K320 Y321 T342 T343K320-G345 WeakPolarHBondContact CD-O 3.42Å; K320-G345 PolarHBondContact NZ-O 3.43Å; Y321-G345 WeakPolarHBondContact OH-CA 3.41Å; T342-G345 PolarHBondContact O-N 3.3Å; T343-G345 VanDerWaalsContact C-N 3.31Å
346H95.3Very high89.7Confident96 Ų9658.4 Ų58.444%0.44427%0.273SS..  trans-76.2131178.8-61.7-11.5000111S316 F341 T342 E344S316-H346 PolarHBondContact OG-CE1 3.35Å; S316-H346 PolarHBondContact OG-ND1 3.2Å; F341-H346 CarbonylContact C-O 3.51Å; F341-H346 VanDerWaalsContact CA-O 3.29Å; F341-H346 WeakPolarHBondContact CA-O 3.2Å; T342-H346 HydrophobicContact CG2-CB 4.05Å; T342-H346 PolarHBondContact N-O 3.04Å; T342-H346 VanDerWaalsContact OG1-CB 3.3Å; T342-H346 WeakPolarHBondContact OG1-CB 3.32Å; T342-H346 PolarHBondContact OG1-N 2.94Å; T342-H346 VanDerWaalsContact OG1-N 3.08Å; E344-H346 PolarHBondContact O-N 3.13Å; E344-H346 VanDerWaalsContact O-N 3.15Å; E344-H346 PolarHBondContact O-ND1 2.88Å
347V93.4Very high90.4Very high26 Ų2654.4 Ų54.416%0.15825%0.248CC..EExtended strand (participates in β ladder)trans-77.9124-175.3175.20000110.6L3 L332 Y339 F341L3-V347 HydrophobicContact CD1-CB 4.41Å; L3-V347 HydrophobicContact CD2-CG1 4.15Å; L332-V347 HydrophobicContact CD1-CG2 4.06Å; L332-V347 HydrophobicContact CD2-CG1 3.75Å; Y339-V347 HydrophobicContact CD1-CG1 3.35Å; Y339-V347 HydrophobicContact CE1-CG1 3.9Å; Y339-V347 HydrophobicContact CG-CG1 4.02Å; F341-V347 HydrophobicContact CD1-CG2 3.93Å; F341-V347 HydrophobicContact CE1-CG2 3.54Å; F341-V347 HydrophobicContact CZ-CG2 4.46Å
348V92.8Very high90.8Very high6 Ų659.7 Ų59.74%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-125.1124.6177.5-175.50000109.9I78 L146 Y339 I340 T342 F354I78-V348 HydrophobicContact CD1-CB 4.31Å; I78-V348 HydrophobicContact CD1-CG1 3.6Å; I78-V348 HydrophobicContact CD1-CG2 3.73Å; I78-V348 HydrophobicContact CG1-CG1 4.33Å; L146-V348 HydrophobicContact CD1-CG1 4.38Å; L146-V348 HydrophobicContact CD2-CB 4.37Å; L146-V348 HydrophobicContact CD2-CG1 3.65Å; Y339-V348 CarbonylContact C-O 3.56Å; Y339-V348 WeakPolarHBondContact CA-O 3.47Å; I340-V348 HydrophobicContact CG2-CB 4.06Å; I340-V348 PolarHBondContact N-O 2.95Å; I340-V348 PolarHBondContact O-N 2.82Å; T342-V348 HydrophobicContact CG2-CG2 3.89Å; V348-F354 HydrophobicContact CG1-CE2 4.22Å
349P91.8Very high90.7Very high8 Ų854.5 Ų54.55%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-71.6138173.927.2-30000111I2 Y339 D351 F354I2-P349 HydrophobicContact CG2-CG 3.49Å; I2-P349 VanDerWaalsContact CG2-CG 3.49Å; Y339-P349 VanDerWaalsContact CD1-CA 3.49Å; Y339-P349 HydrophobicContact CD1-CB 3.93Å; Y339-P349 HydrophobicContact CE1-CB 3.54Å; Y339-P349 HydrophobicContact CE1-CG 4.24Å; P349-D351 PolarHBondContact O-N 3.17Å; P349-F354 HydrophobicContact CG-CE2 4.32Å; P349-F354 WeakPolarHBondContact O-CD2 3.27Å; P349-F354 WeakPolarHBondContact O-CE2 3.5Å
350I90.8Very high89.9Confident45 Ų4560 Ų6023%0.23128%0.281CS..  trans-83.298.9170-57.8168.7000107.3I145 L146 K338 I340I145-I350 HydrophobicContact CG2-CD1 3.51Å; I145-I350 HydrophobicContact CG2-CG1 4.18Å; L146-I350 HydrophobicContact CD2-CG1 4.28Å; K338-I350 HydrophobicContact CB-CB 3.96Å; K338-I350 HydrophobicContact CB-CD1 4.15Å; K338-I350 HydrophobicContact CB-CG1 4.46Å; K338-I350 PolarHBondContact O-N 3.34Å; I340-I350 HydrophobicContact CB-CD1 4.38Å; I340-I350 HydrophobicContact CB-CG1 4.42Å; I340-I350 HydrophobicContact CG2-CG1 4.43Å
351D87.2Confident88.6Confident62 Ų6264.4 Ų64.433%0.33230%0.304SS..  trans-128.4151.8-173.9-168.3-1.3000111.1P349 R353 F354P349-D351 PolarHBondContact O-N 3.17Å; D351-R353 HydrophobicContact CB-CG 3.98Å; D351-R353 PolarHBondContact O-N 3.36Å; D351-R353 WeakPolarHBondContact OD2-CD 3.16Å; D351-R353 IonicContact OD2-NE 3.66Å; D351-F354 HydrophobicContact CB-CD2 4.37Å; D351-F354 PolarHBondContact O-N 2.88Å; D351-F354 VanDerWaalsContact O-N 3.16Å
352K87Confident86.4Confident153 Ų15371.6 Ų71.667%0.66534%0.343SS*.G310 helixtrans-58.4-30.8177.9-67.8-175178.7-177.50112.2F354 R355 E356K352-F354 PolarHBondContact O-N 3.41Å; K352-F354 VanDerWaalsContact O-N 3.11Å; K352-R355 WeakPolarHBondContact O-CA 2.97Å; K352-R355 WeakPolarHBondContact O-CB 3.28Å; K352-R355 PolarHBondContact O-N 3.42Å; K352-E356 PolarHBondContact O-N 3.44Å; K352-E356 VanDerWaalsContact O-N 3.15Å
353R88Confident83.8Confident70 Ų7076.2 Ų76.226%0.26438%0.375SS..G310 helixtrans-56.9-26.4177.473.5-174.9-178.9-176.5-8.1114D351D351-R353 HydrophobicContact CB-CG 3.98Å; D351-R353 PolarHBondContact O-N 3.36Å; D351-R353 WeakPolarHBondContact OD2-CD 3.16Å; D351-R353 IonicContact OD2-NE 3.66Å
354F90.4Very high81.1Confident1 Ų179.9 Ų79.90%0.00440%0.399CS..G310 helixtrans-89-13.5176.9-60.7-52000112.8I2 I78 R81 L82 F147 V348 P349 D351 K352I2-F354 HydrophobicContact CD1-CZ 4.25Å; I78-F354 HydrophobicContact CG1-CE1 4.47Å; I78-F354 HydrophobicContact CG2-CE1 4Å; I78-F354 HydrophobicContact CG2-CZ 4.22Å; R81-F354 HydrophobicContact CB-CD1 3.89Å; R81-F354 HydrophobicContact CG-CD1 4.47Å; R81-F354 PolarHBondContact NH1-O 2.94Å; L82-F354 HydrophobicContact CD2-CE1 3.96Å; L82-F354 HydrophobicContact CD2-CZ 4.33Å; L82-F354 HydrophobicContact CG-CE1 4.1Å; F147-F354 HydrophobicContact CD1-CB 4.15Å; F147-F354 WeakPolarHBondContact CD1-O 3.45Å; F147-F354 HydrophobicContact CE1-CB 4.38Å; V348-F354 HydrophobicContact CG1-CE2 4.22Å; P349-F354 HydrophobicContact CG-CE2 4.32Å; P349-F354 WeakPolarHBondContact O-CD2 3.27Å; P349-F354 WeakPolarHBondContact O-CE2 3.5Å; D351-F354 HydrophobicContact CB-CD2 4.37Å; D351-F354 PolarHBondContact O-N 2.88Å; D351-F354 VanDerWaalsContact O-N 3.16Å; K352-F354 PolarHBondContact O-N 3.41Å; K352-F354 VanDerWaalsContact O-N 3.11Å
355R90Very high78.2Confident133 Ų13382.2 Ų82.250%0.50242%0.422SS..THydrogen-bonded Turntrans-88.8-31.3177.6-61.6-171.1172.7-154.7-7112.3R81 I145 K352R81-R355 PolarHBondContact NH1-O 3.18Å; I145-R355 PolarHBondContact O-NH2 3.07Å; I145-R355 VanDerWaalsContact O-NH2 3.16Å; K352-R355 WeakPolarHBondContact O-CA 2.97Å; K352-R355 WeakPolarHBondContact O-CB 3.28Å; K352-R355 PolarHBondContact O-N 3.42Å
356E84.8Confident75.2Confident132 Ų13291.1 Ų91.162%0.61746%0.464SS*.SBendtrans-82.2129177.9-67.5172.2-165.600110.3R81 K352R81-E356 PolarHBondContact NH1-O 3.29Å; K352-E356 PolarHBondContact O-N 3.44Å; K352-E356 VanDerWaalsContact O-N 3.15Å
357K84.1Confident72Confident62 Ų6296.1 Ų96.127%0.2749%0.487SS..  trans-88.2131.5172.7-70.7-178.7-176179.30108.2E149 W359 D361E149-K357 WeakPolarHBondContact OE1-CE 3.2Å; E149-K357 IonicContact OE1-NZ 2.83Å; E149-K357 PolarHBondContact OE1-NZ 3.31Å; K357-W359 HydrophobicContact CB-CD2 4.45Å; K357-W359 WeakPolarHBondContact CB-O 3.43Å; K357-W359 HydrophobicContact CG-CZ2 4.36Å; K357-D361 VanDerWaalsContact NZ-CG 3.28Å; K357-D361 IonicContact NZ-OD1 2.66Å; K357-D361 PolarHBondContact NZ-OD1 3.36Å; K357-D361 VanDerWaalsContact NZ-OD1 3.1Å; K357-D361 IonicContact NZ-OD2 3.11Å; K357-D361 PolarHBondContact NZ-OD2 2.8Å
358Q80.6Confident68.9Low138 Ų13898 Ų9865%0.64551%0.513SS*.SBendtrans-84.9-2.6172.4-62.3-175.317.500112.4
359W84.3Confident65.9Low36 Ų36102.7 Ų102.714%0.13655%0.551CS.*SBendtrans-124.1155.6177.858.289.6000110S80 R81 E89 K357S80-W359 WeakPolarHBondContact O-CZ3 3.33Å; R81-W359 VanDerWaalsContact CD-CH2 3.46Å; R81-W359 HydrophobicContact CG-CH2 4.09Å; E89-W359 HydrophobicContact CB-CZ2 4.46Å; E89-W359 VanDerWaalsContact OE2-CZ2 3.29Å; E89-W359 WeakPolarHBondContact OE2-CZ2 3.28Å; K357-W359 HydrophobicContact CB-CD2 4.45Å; K357-W359 WeakPolarHBondContact CB-O 3.43Å; K357-W359 HydrophobicContact CG-CZ2 4.36Å
360N73.5Confident62.8Low150 Ų150110 Ų11080%0.80259%0.589SS**  trans-84.5133.4166.8-66.8-30.3000108.1L362N360-L362 PolarHBondContact O-N 3.02Å
361D66.5Low59.8Low100 Ų100112.5 Ų112.554%0.53562%0.617SS.*  trans-63105.8171.6-67.5-41.4000108.1K357 S363K357-D361 VanDerWaalsContact NZ-CG 3.28Å; K357-D361 IonicContact NZ-OD1 2.66Å; K357-D361 PolarHBondContact NZ-OD1 3.36Å; K357-D361 VanDerWaalsContact NZ-OD1 3.1Å; K357-D361 IonicContact NZ-OD2 3.11Å; K357-D361 PolarHBondContact NZ-OD2 2.8Å; D361-S363 PolarHBondContact O-N 3.44Å
362L49.4Very low56.9Low166 Ų166117.8 Ų117.887%0.86964%0.639SS**  trans-73.684.3166.8-75.3163.8000107.3N360 P364N360-L362 PolarHBondContact O-N 3.02Å; L362-P364 WeakPolarHBondContact O-CD 3.37Å
363S42.8Very low54Low101 Ų101117 Ų11771%0.70665%0.647SS**  trans-65.2125.9164.643.20000109.4D361D361-S363 PolarHBondContact O-N 3.44Å
364P40.1Very low51.1Low121 Ų121122.1 Ų122.179%0.78667%0.674SS**  trans-67.5131.3158.6-8.225000108.5L362L362-P364 WeakPolarHBondContact O-CD 3.37Å
365C35.1Very low48Very low120 Ų120128.6 Ų128.681%0.81171%0.714SS**  trans-39.4151.4178.4-53.40000114.4
366E30.8Very low45.1Very low187 Ų187127.2 Ų127.287%0.87473%0.725SS**  -155.6117.262-70.9173.9159.500111.8
367E29.3Very low42.3Very low201 Ų201127.8 Ų127.894%0.93973%0.732SS**  trans-96.691.4146.9-89.3-177.1178.200106.4A369E367-A369 PolarHBondContact O-N 3.49Å
368G26.9Very low39.6Very low67 Ų67134 Ų13469%0.69176%0.762SS**  trans-60.2115.9163.400000108.3L370G368-L370 PolarHBondContact O-N 3.02Å
369A31Very low37.1Very low103 Ų103132.8 Ų132.885%0.85177%0.767SS**  trans-56.798167.600000109.6E367E367-A369 PolarHBondContact O-N 3.49Å
370L26.7Very low34.5Very low162 Ų162136.8 Ų136.885%0.84880%0.797SS**  trans-100.895.8154.5-78.1167.4000106.6G368 E372G368-L370 PolarHBondContact O-N 3.02Å; L370-E372 PolarHBondContact O-N 3.18Å
371A27.4Very low32.4Very low97 Ų97135.9 Ų135.980%0.80280%0.799SS**  trans-63.498.8163.700000108.2
372E26.4Very low30.6Very low173 Ų173136 Ų13681%0.80881%0.808SS**  trans-89.2104.5157.9-75.5-171.8167.100108.1L370 E374L370-E372 PolarHBondContact O-N 3.18Å; E372-E374 PolarHBondContact O-N 3.07Å; E372-E374 VanDerWaalsContact O-N 3.11Å
373T26.7Very low29.8Very low136 Ų136135.5 Ų135.583%0.83481%0.806SS**  trans-60101.4162.637.50000109.4
374E26.9Very low29.3Very low178 Ų178138.2 Ų138.283%0.83281%0.811SS**  trans-104.2113.6158.6-76.5-161.8153.300110.2E372 S376E372-E374 PolarHBondContact O-N 3.07Å; E372-E374 VanDerWaalsContact O-N 3.11Å; E374-S376 PolarHBondContact O-N 2.76Å
375T24.8Very low28.6Very low138 Ų138137.2 Ų137.285%0.84781%0.807SS**  trans-57.6121.9173.8400000111.7N377T375-N377 PolarHBondContact O-N 3.34Å
376S28.3Very low28.4Very low103 Ų103138.6 Ų138.672%0.7281%0.806SS**  trans-46.5123.4160.2162.40000111.5E374E374-S376 PolarHBondContact O-N 2.76Å
377N26.1Very low28.3Very low144 Ų144136.4 Ų136.477%0.7780%0.799SS**  trans174.699.9132.8-87.7-19.1000109.8T375T375-N377 PolarHBondContact O-N 3.34Å
378Q27.3Very low28.1Very low192 Ų192135.6 Ų135.690%0.89779%0.792SS**  trans-170.2141.8136.5-76.1-141-16.200110.3
379P29.4Very low28.3Very low114 Ų114138 Ų13874%0.7479%0.794SS**PPolyproline II helixtrans-78.1160.4-17832.1-33.3000112.8
380P28.9Very low28.2Very low120 Ų120137 Ų13778%0.77978%0.78SS**PPolyproline II helixtrans-77.8141.6-165.431.4-33.8000112.1S382P380-S382 PolarHBondContact O-N 2.81Å
381P28.9Very low28.7Very low130 Ų130137.1 Ų137.184%0.84478%0.781SS**PPolyproline II helixtrans-77.2118.8163.829.5-27.2000109.3
382S30.2Very low29.1Very low102 Ų102138.7 Ų138.771%0.71377%0.771SS**PPolyproline II helixtrans-63.3152163.941.50000111.3P380P380-S382 PolarHBondContact O-N 2.81Å
383N32.6Very low29.9Very low156 Ų156136.6 Ų136.683%0.83478%0.775SS**  trans85.180.3172.1-59.6-20.9000117.5
384I31.1Very low30.8Very low159 Ų159136 Ų13682%0.81577%0.766SS**  trans-123.697.6137.5-59.2178.1000107.3N386I384-N386 PolarHBondContact O-N 2.97Å
385S26.2Very low32.3Very low99 Ų99137.5 Ų137.569%0.69276%0.764SS**  trans-52123168.748.80000111.6I387S385-I387 PolarHBondContact O-N 3.32Å; S385-I387 VanDerWaalsContact O-N 3.13Å
386N30.2Very low34.2Very low149 Ų149133.1 Ų133.180%0.79774%0.736SS**  trans23.777.5143.6-69.9-26.4000116.7I384 K388I384-N386 PolarHBondContact O-N 2.97Å; N386-K388 VanDerWaalsContact C-N 3.27Å; N386-K388 PolarHBondContact O-N 3.23Å
387I28.5Very low36.1Very low142 Ų142131.8 Ų131.873%0.72872%0.724SS**  trans-83.985.3153.4-58.7176.7000106.3S385 V389S385-I387 PolarHBondContact O-N 3.32Å; S385-I387 VanDerWaalsContact O-N 3.13Å; I387-V389 VanDerWaalsContact C-N 3.32Å; I387-V389 HydrophobicContact CG2-CG2 4.12Å; I387-V389 PolarHBondContact O-N 3.31Å
388K26.4Very low37.7Very low183 Ų183131.3 Ų131.380%0.79672%0.717SS**  trans-63.599.5158.7-82.1-179175.3178.70106.3N386 S390N386-K388 VanDerWaalsContact C-N 3.27Å; N386-K388 PolarHBondContact O-N 3.23Å; K388-S390 PolarHBondContact O-N 3.04Å
389V30.5Very low39.4Very low118 Ų118129.9 Ų129.972%0.71571%0.711SS**  trans-65.693.7160.9179.40000105.9I387 L391I387-V389 VanDerWaalsContact C-N 3.32Å; I387-V389 HydrophobicContact CG2-CG2 4.12Å; I387-V389 PolarHBondContact O-N 3.31Å; V389-L391 PolarHBondContact O-N 3.13Å
390S28.6Very low41.2Very low81 Ų81128.7 Ų128.757%0.56669%0.691SS**  trans-69.197.3172.360.50000107.9K388 Q392K388-S390 PolarHBondContact O-N 3.04Å; S390-Q392 PolarHBondContact O-N 2.72Å
391L37.6Very low43Very low165 Ų165127.6 Ų127.686%0.86467%0.672SS**  trans-67.868.4152.6-89.3131.8000107.8V389 C393V389-L391 PolarHBondContact O-N 3.13Å; L391-C393 PolarHBondContact O-N 3.17Å
392Q35.1Very low44.7Very low130 Ų130128.9 Ų128.961%0.60766%0.661SS**  trans-85.899.7164.5-87.9175-26.200106.1S390 N394S390-Q392 PolarHBondContact O-N 2.72Å; Q392-N394 WeakPolarHBondContact CB-OD1 3.35Å; Q392-N394 PolarHBondContact O-N 2.69Å
393C44.1Very low46.8Very low130 Ų130126.7 Ų126.788%0.87865%0.649SS**  trans-62.584.1152.5-67.70000106.2L391 R395L391-C393 PolarHBondContact O-N 3.17Å; C393-R395 PolarHBondContact O-N 2.82Å
394N46Very low48.9Very low123 Ų123124.4 Ų124.466%0.65864%0.636SS**PPolyproline II helixtrans-59.7129.8179-79-33.4000108.1Q392 I396Q392-N394 WeakPolarHBondContact CB-OD1 3.35Å; Q392-N394 PolarHBondContact O-N 2.69Å; N394-I396 PolarHBondContact O-N 3.26Å
395R58.2Low51.3Low209 Ų209117.5 Ų117.579%0.78960%0.602SS**PPolyproline II helixtrans-55.5128.2173.2-168.4176.9-172.8-172.10.6107.7C393C393-R395 PolarHBondContact O-N 2.82Å
396I63.2Low53.9Low47 Ų47113.1 Ų113.124%0.24157%0.57CS.*PPolyproline II helixtrans-54.7131.5179.2-59.4-166.6000108.5I216 A268 T269 N394 R400I216-I396 HydrophobicContact CG1-CD1 4.3Å; I216-I396 HydrophobicContact CG2-CD1 4.42Å; A268-I396 HydrophobicContact CB-CD1 4.37Å; A268-I396 WeakPolarHBondContact O-CD1 3.42Å; T269-I396 HydrophobicContact CG2-CD1 4.02Å; N394-I396 PolarHBondContact O-N 3.26Å; I396-R400 HydrophobicContact CG2-CB 3.76Å; I396-R400 HydrophobicContact CG2-CG 4.44Å
397P68.7Low56.5Low74 Ų74111.2 Ų111.248%0.48156%0.555SS.*PPolyproline II helixtrans-53.6140.1-178.4-26.533.5000112.1E399 R400P397-E399 PolarHBondContact O-N 3.36Å; P397-E399 VanDerWaalsContact O-N 3.13Å; P397-R400 WeakPolarHBondContact O-CB 3.36Å; P397-R400 PolarHBondContact O-N 2.9Å
398E61.2Low59.2Low134 Ų134107.4 Ų107.463%0.62654%0.541SS*.THydrogen-bonded Turntrans-59.1-28.4-178.2-68.9-170.7163.200112.9R400 R401 Y402E398-R400 VanDerWaalsContact C-N 3.29Å; E398-R400 PolarHBondContact O-N 3.42Å; E398-R401 WeakPolarHBondContact O-CB 3.46Å; E398-R401 PolarHBondContact O-N 3.14Å; E398-Y402 WeakPolarHBondContact O-CD2 3.34Å
399E61.6Low62Low162 Ų162102.4 Ų102.476%0.75753%0.526SS*.Hα-helixtrans-58.4-39.3174.4-63.2178.2-173.900112.3P397 R401 Y402 A403P397-E399 PolarHBondContact O-N 3.36Å; P397-E399 VanDerWaalsContact O-N 3.13Å; E399-R401 PolarHBondContact O-N 3Å; E399-Y402 PolarHBondContact O-N 2.88Å; E399-A403 WeakPolarHBondContact O-CB 3.44Å; E399-A403 PolarHBondContact O-N 2.88Å
400R67.5Low64.7Low89 Ų8998.2 Ų98.234%0.33650%0.497SS..Hα-helixtrans-71.8-10.7176.8-72.3-170.1178-176.70.1113.1D217 N271 I396 P397 E398D217-R400 VanDerWaalsContact CG-NH1 3.35Å; D217-R400 IonicContact OD1-CZ 3.76Å; D217-R400 IonicContact OD1-NH1 2.96Å; D217-R400 PolarHBondContact OD1-NH1 3.04Å; D217-R400 VanDerWaalsContact OD1-NH1 3.11Å; D217-R400 IonicContact OD1-NH2 3.43Å; D217-R400 PolarHBondContact OD1-NH2 3.19Å; D217-R400 IonicContact OD2-CZ 2.7Å; D217-R400 IonicContact OD2-NH1 2.89Å; D217-R400 PolarHBondContact OD2-NH1 3.41Å; D217-R400 IonicContact OD2-NH2 2.68Å; D217-R400 PolarHBondContact OD2-NH2 2.97Å; N271-R400 PolarHBondContact ND2-O 3.49Å; I396-R400 HydrophobicContact CG2-CB 3.76Å; I396-R400 HydrophobicContact CG2-CG 4.44Å; P397-R400 WeakPolarHBondContact O-CB 3.36Å; P397-R400 PolarHBondContact O-N 2.9Å; E398-R400 VanDerWaalsContact C-N 3.29Å; E398-R400 PolarHBondContact O-N 3.42Å
401R66.3Low67.4Low98 Ų9895.8 Ų95.837%0.3748%0.477SS..Hα-helixtrans-82.9-31.3176.8-167.2175.4-179.6-178.2-0.2112.4K270 N271 P272 E398 E399K270-R401 HydrophobicContact CB-CG 4.31Å; N271-R401 WeakPolarHBondContact CA-O 3.43Å; P272-R401 WeakPolarHBondContact CD-O 3.35Å; E398-R401 WeakPolarHBondContact O-CB 3.46Å; E398-R401 PolarHBondContact O-N 3.14Å; E399-R401 PolarHBondContact O-N 3Å
402Y65.3Low69.8Low156 Ų15695.4 Ų95.461%0.61246%0.464SS*.Hα-helixtrans-122-17.2-171.6-55.2-68.7000114.5E398 E399E398-Y402 WeakPolarHBondContact O-CD2 3.34Å; E399-Y402 PolarHBondContact O-N 2.88Å
403A74.9Confident72.2Confident56 Ų5692.2 Ų92.246%0.46345%0.45SS..SBendtrans-81.9164.9170.100000111.3N271 E399N271-A403 PolarHBondContact ND2-O 3.16Å; E399-A403 WeakPolarHBondContact O-CB 3.44Å; E399-A403 PolarHBondContact O-N 2.88Å
404L75.5Confident74.3Confident108 Ų10886.1 Ų86.157%0.56541%0.408SS*.  trans-57.3138.7167.8-71.8172.2000109.7F273 L406F273-L404 HydrophobicContact CD2-CD2 4.11Å; L404-L406 VanDerWaalsContact CB-O 3.22Å; L404-L406 WeakPolarHBondContact CB-O 3.29Å; L404-L406 PolarHBondContact O-N 3.3Å; L404-L406 VanDerWaalsContact O-N 3.13Å
405P81.2Confident76.3Confident15 Ų1581.5 Ų81.510%0.09738%0.384CS..SBendtrans-57.2-29.2176.2-25.734.3000113N175 I220 F273 Y274N175-P405 PolarHBondContact ND2-O 3.05Å; I220-P405 HydrophobicContact CD1-CB 4.45Å; I220-P405 HydrophobicContact CG1-CB 4.38Å; I220-P405 HydrophobicContact CG2-CB 3.57Å; F273-P405 HydrophobicContact CB-CG 3.85Å; F273-P405 HydrophobicContact CD1-CG 3.61Å; F273-P405 HydrophobicContact CE1-CG 4.34Å; F273-P405 HydrophobicContact CG-CG 3.8Å; Y274-P405 HydrophobicContact CE2-CG 4.16Å
406L82.6Confident77.7Confident6 Ų677.8 Ų77.83%0.03138%0.375CS..SBendtrans-120141.7174.9-73.1172.9000111.7C174 N175 I220 A224 L404 M411 I414C174-L406 WeakPolarHBondContact SG-CD2 3.31Å; N175-L406 VanDerWaalsContact OD1-CA 3.25Å; N175-L406 WeakPolarHBondContact OD1-CA 3.13Å; N175-L406 WeakPolarHBondContact OD1-CD2 3.17Å; I220-L406 HydrophobicContact CG2-CD1 4.45Å; I220-L406 HydrophobicContact CG2-CD2 4.03Å; I220-L406 HydrophobicContact CG2-CG 3.79Å; A224-L406 HydrophobicContact CB-CD1 3.34Å; L404-L406 VanDerWaalsContact CB-O 3.22Å; L404-L406 WeakPolarHBondContact CB-O 3.29Å; L404-L406 PolarHBondContact O-N 3.3Å; L404-L406 VanDerWaalsContact O-N 3.13Å; L406-M411 HydrophobicContact CD1-SD 4.16Å; L406-I414 HydrophobicContact CD1-CD1 3.64Å
407K84.1Confident78.7Confident109 Ų10976.9 Ų76.947%0.47437%0.37SS..  trans-60.9144.4169.2-56173.1-176.5151.40109.3N175 E176 V409 Y410 M411N175-K407 PolarHBondContact O-NZ 3.4Å; N175-K407 PolarHBondContact OD1-N 2.83Å; E176-K407 IonicContact OE1-NZ 3.3Å; K407-V409 PolarHBondContact O-N 2.98Å; K407-Y410 HydrophobicContact CB-CD2 3.91Å; K407-Y410 HydrophobicContact CB-CE2 4.42Å; K407-Y410 HydrophobicContact CD-CD2 4.38Å; K407-Y410 HydrophobicContact CD-CE2 4.12Å; K407-Y410 HydrophobicContact CG-CD2 4.47Å; K407-Y410 PolarHBondContact O-N 3.14Å; K407-M411 PolarHBondContact O-N 2.88Å; K407-M411 VanDerWaalsContact O-N 3.13Å
408S84.8Confident79.4Confident63 Ų6373.3 Ų73.344%0.44135%0.347SS..Hα-helixtrans-58.5-24.7-172.666.80000114.9R412S408-R412 WeakPolarHBondContact O-CG 3.12Å; S408-R412 PolarHBondContact O-N 3.23Å; S408-R412 PolarHBondContact O-NE 2.79Å; S408-R412 VanDerWaalsContact O-NE 3.1Å; S408-R412 PolarHBondContact OG-NH2 3.4Å
409V85.6Confident80.3Confident77 Ų7768.4 Ų68.447%0.46733%0.332SS..Hα-helixtrans-69.2-45.4174.9179.60000110.5K407 R412 Q413K407-V409 PolarHBondContact O-N 2.98Å; V409-R412 PolarHBondContact O-N 2.98Å; V409-Q413 WeakPolarHBondContact O-CG 3.46Å; V409-Q413 PolarHBondContact O-N 3.02Å
410Y86.8Confident81Confident31 Ų3165.9 Ų65.912%0.12233%0.327CS..Hα-helixtrans-70.8-34.7179.5-63.1-63.8000112.2N175 E176 G177 K407 R412 Q413 I414N175-Y410 WeakPolarHBondContact O-CE2 3.47Å; E176-Y410 VanDerWaalsContact CA-OH 3.27Å; E176-Y410 WeakPolarHBondContact CA-OH 3.5Å; G177-Y410 PolarHBondContact N-OH 2.96Å; G177-Y410 PolarHBondContact O-OH 2.95Å; K407-Y410 HydrophobicContact CB-CD2 3.91Å; K407-Y410 HydrophobicContact CB-CE2 4.42Å; K407-Y410 HydrophobicContact CD-CD2 4.38Å; K407-Y410 HydrophobicContact CD-CE2 4.12Å; K407-Y410 HydrophobicContact CG-CD2 4.47Å; K407-Y410 PolarHBondContact O-N 3.14Å; Y410-R412 VanDerWaalsContact C-N 3.35Å; Y410-R412 PolarHBondContact O-N 2.94Å; Y410-Q413 VanDerWaalsContact CD1-OE1 3.27Å; Y410-Q413 WeakPolarHBondContact O-CB 3.49Å; Y410-Q413 PolarHBondContact O-N 3.26Å; Y410-I414 WeakPolarHBondContact O-CG1 3.35Å; Y410-I414 PolarHBondContact O-N 3.17Å; Y410-I414 VanDerWaalsContact O-N 3.1Å
411M86.4Confident81.7Confident29 Ų2964.7 Ų64.714%0.14333%0.327CS..Hα-helixtrans-61.4-43.8172-163.171175.600111.5A224 Y227 F273 L406 K407 Q413 I414 D415A224-M411 HydrophobicContact CB-SD 4.32Å; Y227-M411 HydrophobicContact CD1-CE 4.09Å; Y227-M411 HydrophobicContact CE1-CE 4.33Å; F273-M411 HydrophobicContact CE2-CE 4.3Å; F273-M411 HydrophobicContact CZ-CE 3.96Å; L406-M411 HydrophobicContact CD1-SD 4.16Å; K407-M411 PolarHBondContact O-N 2.88Å; K407-M411 VanDerWaalsContact O-N 3.13Å; M411-Q413 VanDerWaalsContact C-N 3.34Å; M411-Q413 PolarHBondContact O-N 3.39Å; M411-I414 WeakPolarHBondContact O-CB 3.35Å; M411-I414 PolarHBondContact O-N 2.59Å; M411-D415 PolarHBondContact O-N 2.95Å
412R86.6Confident82.5Confident158 Ų15862.9 Ų62.960%0.59633%0.325SS*.Hα-helixtrans-64.6-35.2176.2-80.7-178.7-82.3169.7-9.3113.1S408 V409 Y410 I414 D415 H416S408-R412 WeakPolarHBondContact O-CG 3.12Å; S408-R412 PolarHBondContact O-N 3.23Å; S408-R412 PolarHBondContact O-NE 2.79Å; S408-R412 VanDerWaalsContact O-NE 3.1Å; S408-R412 PolarHBondContact OG-NH2 3.4Å; V409-R412 PolarHBondContact O-N 2.98Å; Y410-R412 VanDerWaalsContact C-N 3.35Å; Y410-R412 PolarHBondContact O-N 2.94Å; R412-I414 VanDerWaalsContact C-N 3.34Å; R412-D415 PolarHBondContact O-N 2.85Å; R412-H416 WeakPolarHBondContact O-CB 3.39Å; R412-H416 PolarHBondContact O-N 3.16Å
413Q86.9Confident83.4Confident63 Ų6357.8 Ų57.829%0.29431%0.309SS..Hα-helixtrans-63.3-42.3173.6-73.3175.7-8.800111.6P181 V409 Y410 M411 H416 M417P181-Q413 HydrophobicContact CG-CB 4.28Å; V409-Q413 WeakPolarHBondContact O-CG 3.46Å; V409-Q413 PolarHBondContact O-N 3.02Å; Y410-Q413 VanDerWaalsContact CD1-OE1 3.27Å; Y410-Q413 WeakPolarHBondContact O-CB 3.49Å; Y410-Q413 PolarHBondContact O-N 3.26Å; M411-Q413 VanDerWaalsContact C-N 3.34Å; M411-Q413 PolarHBondContact O-N 3.39Å; Q413-H416 PolarHBondContact O-N 2.65Å; Q413-M417 WeakPolarHBondContact O-CB 3.44Å; Q413-M417 PolarHBondContact O-N 2.91Å
414I87Confident83.9Confident1 Ų157.9 Ų57.91%0.00530%0.3CS..Hα-helixtrans-62.9-48.6175.8-68.5172.7000110.2P181 A224 F225 A228 L406 Y410 M411 R412 H416 M417 V418P181-I414 HydrophobicContact CB-CG1 3.89Å; P181-I414 HydrophobicContact CG-CG1 3.85Å; A224-I414 HydrophobicContact CB-CD1 3.77Å; F225-I414 HydrophobicContact CB-CG2 4.3Å; F225-I414 HydrophobicContact CD2-CG2 4.36Å; A228-I414 HydrophobicContact CB-CG2 3.62Å; L406-I414 HydrophobicContact CD1-CD1 3.64Å; Y410-I414 WeakPolarHBondContact O-CG1 3.35Å; Y410-I414 PolarHBondContact O-N 3.17Å; Y410-I414 VanDerWaalsContact O-N 3.1Å; M411-I414 WeakPolarHBondContact O-CB 3.35Å; M411-I414 PolarHBondContact O-N 2.59Å; R412-I414 VanDerWaalsContact C-N 3.34Å; I414-H416 VanDerWaalsContact C-N 3.29Å; I414-H416 PolarHBondContact O-N 3.47Å; I414-M417 WeakPolarHBondContact O-CB 3.33Å; I414-M417 PolarHBondContact O-N 2.86Å; I414-V418 WeakPolarHBondContact O-CG2 3.46Å; I414-V418 PolarHBondContact O-N 2.92Å
415D88.6Confident84.5Confident27 Ų2754.8 Ų54.814%0.14428%0.283CS..Hα-helixtrans-54.7-46176.9-72-28.7000110.6K231 M411 R412 M417 V418 G419 V420K231-D415 IonicContact NZ-OD1 3.94Å; K231-D415 PolarHBondContact NZ-OD1 3.2Å; K231-D415 IonicContact NZ-OD2 3.21Å; M411-D415 PolarHBondContact O-N 2.95Å; R412-D415 PolarHBondContact O-N 2.85Å; D415-M417 PolarHBondContact O-N 3.16Å; D415-V418 CarbonylContact O-C 3.52Å; D415-V418 VanDerWaalsContact O-CG2 3.27Å; D415-V418 WeakPolarHBondContact O-CG2 3.45Å; D415-V418 PolarHBondContact O-N 3.23Å; D415-G419 PolarHBondContact O-N 3.31Å; D415-V420 HydrophobicContact CB-CB 3.99Å; D415-V420 HydrophobicContact CB-CG1 4.2Å; D415-V420 PolarHBondContact O-N 3.4Å
416H86.8Confident84.7Confident131 Ų13157.4 Ų57.461%0.60630%0.295SS*.Hα-helixtrans-63.7-36.9175.8-179.5-87.3000113.5K245 R412 Q413 I414 V418 G419K245-H416 PolarHBondContact NZ-O 3.14Å; R412-H416 WeakPolarHBondContact O-CB 3.39Å; R412-H416 PolarHBondContact O-N 3.16Å; Q413-H416 PolarHBondContact O-N 2.65Å; I414-H416 VanDerWaalsContact C-N 3.29Å; I414-H416 PolarHBondContact O-N 3.47Å; H416-V418 VanDerWaalsContact C-N 3.32Å; H416-G419 PolarHBondContact O-N 3.27Å
417M85.4Confident84.8Confident27 Ų2761.1 Ų61.113%0.13331%0.314CS..Hα-helixtrans-65.2-37.1177.1-171.4179.7179.600111.3P181 L183 F225 K245 Q413 I414 D415 G419P181-M417 HydrophobicContact CB-SD 3.92Å; P181-M417 HydrophobicContact CG-SD 3.79Å; L183-M417 HydrophobicContact CB-CE 4.45Å; L183-M417 HydrophobicContact CD2-CE 3.95Å; F225-M417 HydrophobicContact CD2-SD 4.06Å; F225-M417 HydrophobicContact CE2-CE 3.98Å; F225-M417 HydrophobicContact CE2-CG 4.11Å; F225-M417 HydrophobicContact CE2-SD 3.7Å; K245-M417 WeakPolarHBondContact CD-O 3.43Å; K245-M417 WeakPolarHBondContact CE-O 3.33Å; K245-M417 WeakPolarHBondContact CG-O 3.47Å; Q413-M417 WeakPolarHBondContact O-CB 3.44Å; Q413-M417 PolarHBondContact O-N 2.91Å; I414-M417 WeakPolarHBondContact O-CB 3.33Å; I414-M417 PolarHBondContact O-N 2.86Å; D415-M417 PolarHBondContact O-N 3.16Å; M417-G419 VanDerWaalsContact C-N 3.33Å
418V83.4Confident84.9Confident0 Ų057.4 Ų57.40%030%0.302CS..THydrogen-bonded Turntrans-88.82.8177.4-57.70000113.9F225 A228 I229 R232 Y240 I414 D415 H416 V420F225-V418 HydrophobicContact CD2-CG1 3.99Å; F225-V418 HydrophobicContact CE2-CG1 3.66Å; F225-V418 HydrophobicContact CZ-CG1 4.09Å; A228-V418 HydrophobicContact CB-CB 4.41Å; A228-V418 HydrophobicContact CB-CG1 4.18Å; A228-V418 HydrophobicContact CB-CG2 3.46Å; A228-V418 VanDerWaalsContact CB-CG2 3.46Å; I229-V418 HydrophobicContact CG1-CB 4.24Å; I229-V418 HydrophobicContact CG1-CG1 3.7Å; R232-V418 WeakPolarHBondContact CD-O 3.47Å; R232-V418 PolarHBondContact NH1-O 3.4Å; Y240-V418 WeakPolarHBondContact OH-CA 3.17Å; Y240-V418 PolarHBondContact OH-O 3.48Å; I414-V418 WeakPolarHBondContact O-CG2 3.46Å; I414-V418 PolarHBondContact O-N 2.92Å; D415-V418 CarbonylContact O-C 3.52Å; D415-V418 VanDerWaalsContact O-CG2 3.27Å; D415-V418 WeakPolarHBondContact O-CG2 3.45Å; D415-V418 PolarHBondContact O-N 3.23Å; H416-V418 VanDerWaalsContact C-N 3.32Å; V418-V420 HydrophobicContact CG2-CB 4.29Å; V418-V420 HydrophobicContact CG2-CG2 3.72Å
419G79.8Confident84.9Confident31 Ų3156.9 Ų56.932%0.3229%0.29SS..THydrogen-bonded Turntrans73.832.217700000114.5R232 D415 H416 M417R232-G419 PolarHBondContact NE-O 3.29Å; R232-G419 VanDerWaalsContact NE-O 3.13Å; D415-G419 PolarHBondContact O-N 3.31Å; H416-G419 PolarHBondContact O-N 3.27Å; M417-G419 VanDerWaalsContact C-N 3.33Å
420V75.6Confident84.8Confident108 Ų10855.1 Ų55.166%0.65527%0.274SS*.  trans-91.60170.8173.60000110.7R232 D415 V418R232-V420 HydrophobicContact CB-CG2 3.61Å; R232-V420 HydrophobicContact CG-CG2 3.95Å; D415-V420 HydrophobicContact CB-CB 3.99Å; D415-V420 HydrophobicContact CB-CG1 4.2Å; D415-V420 PolarHBondContact O-N 3.4Å; V418-V420 HydrophobicContact CG2-CB 4.29Å; V418-V420 HydrophobicContact CG2-CG2 3.72Å

Retrieved 420 of 420 residues in 200.8 ms (Link to these results)

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