A0A077ZLF3_TRITR Loading...

Endothelin converting enzyme 1

AlphaFold DB , UniProt , Accession A0A077ZLF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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
1M88.4Confident86.5Confident174 Ų17492.7 Ų92.786%0.85742%0.419SS*.  0-55.20-69.2-54-79.300113.8K3 I4 F5M1-K3 PolarHBondContact O-N 3.42Å; M1-I4 WeakPolarHBondContact O-CB 3.08Å; M1-I4 PolarHBondContact O-N 3.49Å; M1-I4 VanDerWaalsContact O-N 3.09Å; M1-F5 PolarHBondContact O-N 3.22Å
2G91.1Very high85.8Confident11 Ų1189.3 Ų89.311%0.11341%0.407CS..Hα-helixtrans-49.8-50.7-178.800000115.5I4 F5 V6G2-I4 VanDerWaalsContact C-N 3.33Å; G2-I4 PolarHBondContact O-N 3.24Å; G2-F5 WeakPolarHBondContact O-CB 3.34Å; G2-F5 PolarHBondContact O-N 3.22Å; G2-F5 VanDerWaalsContact O-N 3.11Å; G2-V6 WeakPolarHBondContact O-CG2 3.42Å; G2-V6 PolarHBondContact O-N 2.04Å
3K90.7Very high85.7Confident58 Ų5891.6 Ų91.625%0.25243%0.425SS..Hα-helixtrans-52.8-47.5175.4-171.8174.8-175.1174.90112.8M1 F5 Q7 I65 L68M1-K3 PolarHBondContact O-N 3.42Å; K3-F5 PolarHBondContact O-N 3.09Å; K3-Q7 WeakPolarHBondContact O-CB 3.49Å; K3-Q7 WeakPolarHBondContact O-CG 3.41Å; K3-Q7 PolarHBondContact O-N 3.2Å; K3-I65 HydrophobicContact CB-CD1 4.28Å; K3-I65 HydrophobicContact CB-CG1 3.77Å; K3-I65 HydrophobicContact CG-CG1 4.2Å; K3-L68 HydrophobicContact CB-CD1 3.79Å; K3-L68 HydrophobicContact CD-CD1 4.09Å
4I92.1Very high86Confident79 Ų7993.6 Ų93.641%0.40544%0.435SS..Hα-helixtrans-63.7-43178.8-59.9172.4000110.6M1 G2 R8M1-I4 WeakPolarHBondContact O-CB 3.08Å; M1-I4 PolarHBondContact O-N 3.49Å; M1-I4 VanDerWaalsContact O-N 3.09Å; G2-I4 VanDerWaalsContact C-N 3.33Å; G2-I4 PolarHBondContact O-N 3.24Å; I4-R8 HydrophobicContact CG2-CG 4.28Å; I4-R8 WeakPolarHBondContact O-CB 3.24Å; I4-R8 VanDerWaalsContact O-CG 3.3Å; I4-R8 WeakPolarHBondContact O-CG 3.38Å; I4-R8 PolarHBondContact O-N 2.98Å
5F92Very high86.3Confident47 Ų4788.3 Ų88.321%0.20641%0.412CS..Hα-helixtrans-62.5-51.7179.9178.8-94.2000111.9M1 G2 K3 Q7 R8 K9 V126 A143M1-F5 PolarHBondContact O-N 3.22Å; G2-F5 WeakPolarHBondContact O-CB 3.34Å; G2-F5 PolarHBondContact O-N 3.22Å; G2-F5 VanDerWaalsContact O-N 3.11Å; K3-F5 PolarHBondContact O-N 3.09Å; F5-Q7 VanDerWaalsContact C-N 3.33Å; F5-Q7 PolarHBondContact O-N 2.81Å; F5-R8 PolarHBondContact O-N 3.27Å; F5-K9 HydrophobicContact CD1-CG 4.28Å; F5-K9 HydrophobicContact CD2-CG 4.16Å; F5-K9 HydrophobicContact CE1-CG 3.92Å; F5-K9 HydrophobicContact CE2-CD 4.37Å; F5-K9 HydrophobicContact CE2-CG 3.81Å; F5-K9 HydrophobicContact CG-CG 4.39Å; F5-K9 HydrophobicContact CZ-CD 4.25Å; F5-K9 HydrophobicContact CZ-CG 3.68Å; F5-K9 WeakPolarHBondContact O-CB 3.37Å; F5-K9 PolarHBondContact O-N 2.83Å; F5-V126 HydrophobicContact CB-CB 4.45Å; F5-V126 HydrophobicContact CB-CG1 3.5Å; F5-V126 VanDerWaalsContact CB-CG1 3.5Å; F5-V126 HydrophobicContact CD1-CB 4.36Å; F5-V126 HydrophobicContact CD1-CG1 4.07Å; F5-V126 HydrophobicContact CD2-CB 4.4Å; F5-V126 HydrophobicContact CD2-CG1 4.3Å; F5-V126 HydrophobicContact CG-CB 4.16Å; F5-V126 HydrophobicContact CG-CG1 3.71Å; F5-A143 HydrophobicContact CD1-CB 4.49Å; F5-A143 HydrophobicContact CE1-CB 4.16Å
6V89.7Confident86.7Confident14 Ų1486.8 Ų86.89%0.08540%0.404CS..Hα-helixtrans-58.5-45.7179.4172.30000110.7G2 R8 K10 F11 Y61 I65 P125 A143G2-V6 WeakPolarHBondContact O-CG2 3.42Å; G2-V6 PolarHBondContact O-N 2.04Å; V6-R8 PolarHBondContact O-N 3.41Å; V6-K10 PolarHBondContact O-N 3.46Å; V6-F11 HydrophobicContact CG1-CB 4.49Å; V6-F11 PolarHBondContact O-N 3.04Å; V6-Y61 HydrophobicContact CB-CD1 4.41Å; V6-Y61 HydrophobicContact CG1-CD1 3.56Å; V6-Y61 HydrophobicContact CG1-CE1 3.64Å; V6-Y61 HydrophobicContact CG1-CG 4.32Å; V6-Y61 HydrophobicContact CG2-CD1 3.92Å; V6-Y61 HydrophobicContact CG2-CG 4.25Å; V6-I65 HydrophobicContact CB-CD1 4.31Å; V6-I65 HydrophobicContact CG2-CD1 3.97Å; V6-P125 HydrophobicContact CG2-CB 4.17Å; V6-P125 HydrophobicContact CG2-CG 4.34Å; V6-A143 HydrophobicContact CG2-CB 4.13Å
7Q87.8Confident87.1Confident129 Ų12984.8 Ų84.860%0.60340%0.402SS*.Hα-helixtrans-61.6-43.7176.7-73.8174.8-18.700112.7K3 F5 K10K3-Q7 WeakPolarHBondContact O-CB 3.49Å; K3-Q7 WeakPolarHBondContact O-CG 3.41Å; K3-Q7 PolarHBondContact O-N 3.2Å; F5-Q7 VanDerWaalsContact C-N 3.33Å; F5-Q7 PolarHBondContact O-N 2.81Å; Q7-K10 PolarHBondContact O-N 2.78Å
8R85Confident87.5Confident208 Ų20883.2 Ų83.279%0.78540%0.396SS*.Hα-helixtrans-72.7-40-178.8-76.5-175.2178.5-1700.4113.3I4 F5 V6 K10I4-R8 HydrophobicContact CG2-CG 4.28Å; I4-R8 WeakPolarHBondContact O-CB 3.24Å; I4-R8 VanDerWaalsContact O-CG 3.3Å; I4-R8 WeakPolarHBondContact O-CG 3.38Å; I4-R8 PolarHBondContact O-N 2.98Å; F5-R8 PolarHBondContact O-N 3.27Å; V6-R8 PolarHBondContact O-N 3.41Å; R8-K10 PolarHBondContact O-N 2.92Å
9K78.9Confident88Confident113 Ų11378.8 Ų78.849%0.49138%0.375SS..Hα-helixtrans-71.7-10.5178.5-76.5-76.6-178.8163.80112.7F5 F11F5-K9 HydrophobicContact CD1-CG 4.28Å; F5-K9 HydrophobicContact CD2-CG 4.16Å; F5-K9 HydrophobicContact CE1-CG 3.92Å; F5-K9 HydrophobicContact CE2-CD 4.37Å; F5-K9 HydrophobicContact CE2-CG 3.81Å; F5-K9 HydrophobicContact CG-CG 4.39Å; F5-K9 HydrophobicContact CZ-CD 4.25Å; F5-K9 HydrophobicContact CZ-CG 3.68Å; F5-K9 WeakPolarHBondContact O-CB 3.37Å; F5-K9 PolarHBondContact O-N 2.83Å; K9-F11 PolarHBondContact O-N 3.45Å
10K74.9Confident88.4Confident168 Ų16878.4 Ų78.473%0.7338%0.375SS*.THydrogen-bonded Turntrans5040.9-172.9-57.2-176.6179-1780110.7V6 Q7 R8 D12V6-K10 PolarHBondContact O-N 3.46Å; Q7-K10 PolarHBondContact O-N 2.78Å; R8-K10 PolarHBondContact O-N 2.92Å; K10-D12 PolarHBondContact O-N 2.69Å
11F80.9Confident88.8Confident19 Ų1980.4 Ų80.48%0.08338%0.382CS..  trans-65.794.7169.6-174.6-96.5000106.4V6 K9 K16 I59 Y61 A143 L146V6-F11 HydrophobicContact CG1-CB 4.49Å; V6-F11 PolarHBondContact O-N 3.04Å; K9-F11 PolarHBondContact O-N 3.45Å; F11-K16 HydrophobicContact CE1-CB 3.85Å; F11-K16 HydrophobicContact CE1-CG 4.45Å; F11-K16 HydrophobicContact CZ-CB 4.23Å; F11-I59 HydrophobicContact CZ-CG2 4.38Å; F11-Y61 HydrophobicContact CD1-CD1 4.12Å; F11-Y61 AromaticContact CD1-CE1 3.95Å; F11-Y61 HydrophobicContact CD1-CE1 3.95Å; F11-Y61 HydrophobicContact CE1-CE1 4.39Å; F11-A143 HydrophobicContact CB-CB 4.35Å; F11-A143 HydrophobicContact CD1-CB 4.26Å; F11-A143 HydrophobicContact CD2-CB 4.42Å; F11-A143 HydrophobicContact CG-CB 4.07Å; F11-L146 HydrophobicContact CD2-CB 4.3Å; F11-L146 HydrophobicContact CE1-CD1 4.4Å; F11-L146 HydrophobicContact CE2-CB 3.62Å; F11-L146 HydrophobicContact CE2-CD1 3.58Å; F11-L146 HydrophobicContact CE2-CG 4.25Å; F11-L146 HydrophobicContact CZ-CB 4.35Å; F11-L146 HydrophobicContact CZ-CD1 3.4Å
12D77.6Confident89.2Confident52 Ų5272.5 Ų72.528%0.27834%0.343SS..  trans-84.3164.6-168.655.917.6000110.6K10 E14 S15 K16 K153K10-D12 PolarHBondContact O-N 2.69Å; D12-E14 PolarHBondContact O-N 3.04Å; D12-S15 PolarHBondContact O-N 2.83Å; D12-S15 VanDerWaalsContact OD1-CB 3.25Å; D12-S15 WeakPolarHBondContact OD1-CB 3.13Å; D12-S15 PolarHBondContact OD1-N 3.3Å; D12-S15 PolarHBondContact OD1-OG 3.14Å; D12-K16 PolarHBondContact O-N 3.23Å; D12-K16 VanDerWaalsContact O-N 3.14Å; D12-K153 IonicContact OD2-NZ 3.41Å; D12-K153 PolarHBondContact OD2-NZ 2.83Å
13N84.8Confident89.6Confident119 Ų11972 Ų7264%0.63634%0.338SS*.Hα-helixtrans-61.8-23.6176.4-70.9-17.5000112S17 Y61N13-S17 WeakPolarHBondContact O-CB 3.45Å; N13-S17 PolarHBondContact O-N 3.2Å; N13-Y61 PolarHBondContact OD1-OH 3.23Å
14E89.4Confident89.9Confident120 Ų12072.5 Ų72.556%0.56135%0.346SS*.Hα-helixtrans-66-50.5174.4-176.6179.3-141.900111D12 K16 S17 D18 K153D12-E14 PolarHBondContact O-N 3.04Å; E14-K16 VanDerWaalsContact C-N 3.31Å; E14-K16 PolarHBondContact O-N 2.66Å; E14-S17 PolarHBondContact O-N 3.1Å; E14-S17 VanDerWaalsContact O-N 3.1Å; E14-D18 PolarHBondContact O-N 3.42Å; E14-K153 IonicContact OE2-NZ 3.53Å; E14-K153 PolarHBondContact OE2-NZ 3.49Å
15S91.1Very high90.2Very high13 Ų1372.2 Ų72.29%0.09134%0.343CS..Hα-helixtrans-61.6-39.9176.8-57.20000111.8D12 D18 V19D12-S15 PolarHBondContact O-N 2.83Å; D12-S15 VanDerWaalsContact OD1-CB 3.25Å; D12-S15 WeakPolarHBondContact OD1-CB 3.13Å; D12-S15 PolarHBondContact OD1-N 3.3Å; D12-S15 PolarHBondContact OD1-OG 3.14Å; S15-D18 PolarHBondContact O-N 2.82Å; S15-V19 VanDerWaalsContact O-CG2 3.32Å; S15-V19 WeakPolarHBondContact O-CG2 3.44Å; S15-V19 PolarHBondContact O-N 3.12Å; S15-V19 VanDerWaalsContact O-N 3.12Å
16K92.3Very high90.5Very high65 Ų6570 Ų7028%0.28333%0.333SS..Hα-helixtrans-60.2-45.7173-171.4175.2177.2173.30111.4F11 D12 E14 D20 I59F11-K16 HydrophobicContact CE1-CB 3.85Å; F11-K16 HydrophobicContact CE1-CG 4.45Å; F11-K16 HydrophobicContact CZ-CB 4.23Å; D12-K16 PolarHBondContact O-N 3.23Å; D12-K16 VanDerWaalsContact O-N 3.14Å; E14-K16 VanDerWaalsContact C-N 3.31Å; E14-K16 PolarHBondContact O-N 2.66Å; K16-D20 WeakPolarHBondContact O-CB 3.26Å; K16-D20 PolarHBondContact O-N 3.42Å; K16-I59 WeakPolarHBondContact CE-O 3.46Å; K16-I59 HydrophobicContact CG-CB 4.08Å; K16-I59 HydrophobicContact CG-CG2 4.06Å
17S94.2Very high90.9Very high53 Ų5371 Ų7137%0.37134%0.336SS..Hα-helixtrans-68.1-35.5179.8179.90000113N13 E14 K21N13-S17 WeakPolarHBondContact O-CB 3.45Å; N13-S17 PolarHBondContact O-N 3.2Å; E14-S17 PolarHBondContact O-N 3.1Å; E14-S17 VanDerWaalsContact O-N 3.1Å; S17-K21 WeakPolarHBondContact O-CG 3.24Å; S17-K21 PolarHBondContact O-N 3.34Å; S17-K21 VanDerWaalsContact O-N 3.12Å
18D94.6Very high91.3Very high55 Ų5568.5 Ų68.529%0.29433%0.327SS..Hα-helixtrans-68.6-46.7178.9-166.237.4000111.2E14 S15 D20 K21 M22 Y151E14-D18 PolarHBondContact O-N 3.42Å; S15-D18 PolarHBondContact O-N 2.82Å; D18-D20 VanDerWaalsContact C-N 3.31Å; D18-D20 PolarHBondContact O-N 2.95Å; D18-K21 WeakPolarHBondContact O-CB 3.37Å; D18-K21 PolarHBondContact O-N 2.9Å; D18-K21 VanDerWaalsContact O-N 3.14Å; D18-M22 WeakPolarHBondContact O-CG 3.48Å; D18-M22 PolarHBondContact O-N 2.8Å; D18-Y151 WeakPolarHBondContact CB-OH 3.39Å; D18-Y151 WeakPolarHBondContact OD2-CE2 3.39Å; D18-Y151 PolarHBondContact OD2-OH 3.31Å
19V96.1Very high91.9Very high0 Ų058.8 Ų58.80%029%0.291CS..Hα-helixtrans-63.5-37.4176.3175.50000111.4S15 K21 M22 V23 I59 L146 Y151 I168S15-V19 VanDerWaalsContact O-CG2 3.32Å; S15-V19 WeakPolarHBondContact O-CG2 3.44Å; S15-V19 PolarHBondContact O-N 3.12Å; S15-V19 VanDerWaalsContact O-N 3.12Å; V19-K21 VanDerWaalsContact C-N 3.33Å; V19-K21 PolarHBondContact O-N 2.7Å; V19-M22 WeakPolarHBondContact O-CB 3.34Å; V19-M22 PolarHBondContact O-N 2.85Å; V19-M22 VanDerWaalsContact O-N 3.16Å; V19-V23 WeakPolarHBondContact O-CG2 3.24Å; V19-V23 PolarHBondContact O-N 3.29Å; V19-I59 HydrophobicContact CB-CG2 3.87Å; V19-I59 HydrophobicContact CG1-CD1 4.09Å; V19-I59 HydrophobicContact CG1-CG1 4.45Å; V19-I59 HydrophobicContact CG1-CG2 3.69Å; V19-L146 HydrophobicContact CG1-CD1 4.37Å; V19-L146 HydrophobicContact CG1-CD2 4.01Å; V19-L146 HydrophobicContact CG2-CD1 4.33Å; V19-L146 HydrophobicContact CG2-CD2 3.99Å; V19-Y151 HydrophobicContact CG2-CD1 4.42Å; V19-Y151 HydrophobicContact CG2-CD2 4.1Å; V19-Y151 HydrophobicContact CG2-CE1 4.31Å; V19-Y151 HydrophobicContact CG2-CE2 3.98Å; V19-Y151 HydrophobicContact CG2-CG 4.31Å; V19-I168 HydrophobicContact CG1-CD1 4.23Å
20D96.2Very high92.8Very high70 Ų7053.4 Ų53.437%0.37427%0.268SS..Hα-helixtrans-62-39174.3-172.672000112.6K16 D18 V23 T24K16-D20 WeakPolarHBondContact O-CB 3.26Å; K16-D20 PolarHBondContact O-N 3.42Å; D18-D20 VanDerWaalsContact C-N 3.31Å; D18-D20 PolarHBondContact O-N 2.95Å; D20-V23 PolarHBondContact O-N 3.22Å; D20-T24 PolarHBondContact O-N 3.21Å; D20-T24 VanDerWaalsContact O-N 3.09Å; D20-T24 PolarHBondContact O-OG1 2.56Å
21K96.9Very high93.8Very high122 Ų12247.6 Ų47.653%0.5325%0.245SC..Hα-helixtrans-64.2-43.7170.8-69.3168-172.4167.60111.3S17 D18 V19 V23 T24 E25S17-K21 WeakPolarHBondContact O-CG 3.24Å; S17-K21 PolarHBondContact O-N 3.34Å; S17-K21 VanDerWaalsContact O-N 3.12Å; D18-K21 WeakPolarHBondContact O-CB 3.37Å; D18-K21 PolarHBondContact O-N 2.9Å; D18-K21 VanDerWaalsContact O-N 3.14Å; V19-K21 VanDerWaalsContact C-N 3.33Å; V19-K21 PolarHBondContact O-N 2.7Å; K21-V23 VanDerWaalsContact C-N 3.31Å; K21-V23 PolarHBondContact O-N 2.91Å; K21-T24 WeakPolarHBondContact O-CB 3.46Å; K21-T24 PolarHBondContact O-N 3.09Å; K21-T24 VanDerWaalsContact O-N 3.1Å; K21-E25 WeakPolarHBondContact O-CG 3.01Å; K21-E25 PolarHBondContact O-N 2.78Å
22M97.9Very high94.5Very high8 Ų851 Ų514%0.03926%0.264CS..Hα-helixtrans-56.6-46.2175.6-67-176.368.900111.3D18 V19 T24 E25 L26 Y151 N160 F161 I164 I168D18-M22 WeakPolarHBondContact O-CG 3.48Å; D18-M22 PolarHBondContact O-N 2.8Å; V19-M22 WeakPolarHBondContact O-CB 3.34Å; V19-M22 PolarHBondContact O-N 2.85Å; V19-M22 VanDerWaalsContact O-N 3.16Å; M22-T24 VanDerWaalsContact C-N 3.28Å; M22-T24 PolarHBondContact O-N 3.39Å; M22-E25 PolarHBondContact O-N 3.06Å; M22-E25 VanDerWaalsContact O-N 3.16Å; M22-L26 HydrophobicContact CB-CD1 4.3Å; M22-L26 WeakPolarHBondContact O-CB 3.43Å; M22-L26 WeakPolarHBondContact O-CD1 3.28Å; M22-L26 WeakPolarHBondContact O-CG 3.24Å; M22-L26 PolarHBondContact O-N 3.4Å; M22-Y151 HydrophobicContact SD-CD2 4.35Å; M22-Y151 HydrophobicContact SD-CE2 4.36Å; M22-N160 HydrophobicContact CE-CB 4.19Å; M22-F161 HydrophobicContact CE-CD1 4.25Å; M22-F161 HydrophobicContact CE-CD2 3.98Å; M22-F161 HydrophobicContact CE-CE1 4.22Å; M22-F161 HydrophobicContact CE-CE2 3.96Å; M22-F161 HydrophobicContact CE-CG 4.14Å; M22-F161 HydrophobicContact CE-CZ 4.09Å; M22-F161 HydrophobicContact CG-CE2 4.49Å; M22-F161 HydrophobicContact CG-CZ 4.24Å; M22-I164 HydrophobicContact CE-CG2 3.67Å; M22-I164 HydrophobicContact SD-CG2 4.04Å; M22-I168 HydrophobicContact CB-CD1 4.2Å
23V98.1Very high95.2Very high1 Ų149.7 Ų49.71%0.00626%0.256CS..Hα-helixtrans-56.6-43.2175.4171.40000111.5V19 D20 K21 L26 K27 I59 I139 F141 I168V19-V23 WeakPolarHBondContact O-CG2 3.24Å; V19-V23 PolarHBondContact O-N 3.29Å; D20-V23 PolarHBondContact O-N 3.22Å; K21-V23 VanDerWaalsContact C-N 3.31Å; K21-V23 PolarHBondContact O-N 2.91Å; V23-L26 PolarHBondContact O-N 3.25Å; V23-K27 HydrophobicContact CG1-CD 4.32Å; V23-K27 WeakPolarHBondContact O-CG 3.28Å; V23-K27 PolarHBondContact O-N 2.9Å; V23-I59 HydrophobicContact CG2-CD1 4.05Å; V23-I139 HydrophobicContact CG1-CD1 4.02Å; V23-F141 HydrophobicContact CG2-CE2 4.23Å; V23-I168 HydrophobicContact CB-CG2 4.44Å; V23-I168 HydrophobicContact CG2-CD1 4.09Å; V23-I168 HydrophobicContact CG2-CG1 4.32Å; V23-I168 HydrophobicContact CG2-CG2 3.82Å
24T97.7Very high95.7Very high68 Ų6844.1 Ų44.142%0.41723%0.227SC..Hα-helixtrans-61.3-45.9176.9-600000111.6D20 K21 M22 L26 K27 N28D20-T24 PolarHBondContact O-N 3.21Å; D20-T24 VanDerWaalsContact O-N 3.09Å; D20-T24 PolarHBondContact O-OG1 2.56Å; K21-T24 WeakPolarHBondContact O-CB 3.46Å; K21-T24 PolarHBondContact O-N 3.09Å; K21-T24 VanDerWaalsContact O-N 3.1Å; M22-T24 VanDerWaalsContact C-N 3.28Å; M22-T24 PolarHBondContact O-N 3.39Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 3.29Å; T24-K27 PolarHBondContact O-N 3.42Å; T24-N28 VanDerWaalsContact O-CG 3.27Å; T24-N28 PolarHBondContact O-N 2.95Å; T24-N28 PolarHBondContact O-ND2 3.22Å
25E97.7Very high96Very high73 Ų7342.2 Ų42.234%0.34122%0.22SC..Hα-helixtrans-63.3-38.7176.7-64.7-56.5153.600112.5K21 M22 N28 A29 A267K21-E25 WeakPolarHBondContact O-CG 3.01Å; K21-E25 PolarHBondContact O-N 2.78Å; M22-E25 PolarHBondContact O-N 3.06Å; M22-E25 VanDerWaalsContact O-N 3.16Å; E25-N28 WeakPolarHBondContact O-CB 3.25Å; E25-N28 PolarHBondContact O-N 3.5Å; E25-A29 WeakPolarHBondContact O-CB 2.88Å; E25-A29 PolarHBondContact O-N 2.84Å; E25-A267 HydrophobicContact CB-CB 4.3Å
26L98.4Very high96Very high0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-68.8-38.1177.4-77.9140.1000112.2M22 V23 T24 N28 A29 F30 F161 G165 I168 I172 Q263 A267M22-L26 HydrophobicContact CB-CD1 4.3Å; M22-L26 WeakPolarHBondContact O-CB 3.43Å; M22-L26 WeakPolarHBondContact O-CD1 3.28Å; M22-L26 WeakPolarHBondContact O-CG 3.24Å; M22-L26 PolarHBondContact O-N 3.4Å; V23-L26 PolarHBondContact O-N 3.25Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 3.29Å; L26-N28 VanDerWaalsContact C-N 3.33Å; L26-N28 PolarHBondContact O-N 3.42Å; L26-A29 PolarHBondContact O-N 2.9Å; L26-F30 PolarHBondContact O-N 2.95Å; L26-F161 HydrophobicContact CD1-CE1 4.44Å; L26-G165 WeakPolarHBondContact CD2-O 3.33Å; L26-I168 HydrophobicContact CB-CG2 4.05Å; L26-I168 HydrophobicContact CD1-CB 3.71Å; L26-I168 HydrophobicContact CD1-CD1 4.03Å; L26-I168 HydrophobicContact CD1-CG1 4.5Å; L26-I168 HydrophobicContact CD1-CG2 3.43Å; L26-I168 VanDerWaalsContact CD1-CG2 3.43Å; L26-I168 HydrophobicContact CG-CG2 4.21Å; L26-I172 HydrophobicContact CB-CD1 3.76Å; L26-Q263 HydrophobicContact CD2-CB 4.21Å; L26-A267 HydrophobicContact CG-CB 4.31Å
27K98Very high96Very high34 Ų3446.4 Ų46.415%0.14824%0.24CC..Hα-helixtrans-63.3-39.3170.9-73.6179.5173.7178.70112.1V23 T24 F30 N31 I52 M55 I172V23-K27 HydrophobicContact CG1-CD 4.32Å; V23-K27 WeakPolarHBondContact O-CG 3.28Å; V23-K27 PolarHBondContact O-N 2.9Å; T24-K27 PolarHBondContact O-N 3.42Å; K27-F30 PolarHBondContact O-N 2.82Å; K27-N31 PolarHBondContact O-N 3.14Å; K27-N31 VanDerWaalsContact O-N 3.09Å; K27-N31 PolarHBondContact O-ND2 3.26Å; K27-I52 HydrophobicContact CB-CD1 4.05Å; K27-I52 HydrophobicContact CB-CG1 4.15Å; K27-I52 HydrophobicContact CD-CG1 4.37Å; K27-I52 HydrophobicContact CG-CD1 4.03Å; K27-I52 HydrophobicContact CG-CG1 3.88Å; K27-M55 PolarHBondContact NZ-O 2.88Å; K27-I172 HydrophobicContact CG-CD1 4Å
28N97.3Very high96Very high78 Ų7850.9 Ų50.942%0.41726%0.26SS..Hα-helixtrans-64.1-43.4173.9-68.7-25000111.3T24 E25 L26 F30 N31 L32T24-N28 VanDerWaalsContact O-CG 3.27Å; T24-N28 PolarHBondContact O-N 2.95Å; T24-N28 PolarHBondContact O-ND2 3.22Å; E25-N28 WeakPolarHBondContact O-CB 3.25Å; E25-N28 PolarHBondContact O-N 3.5Å; L26-N28 VanDerWaalsContact C-N 3.33Å; L26-N28 PolarHBondContact O-N 3.42Å; N28-F30 PolarHBondContact O-N 2.9Å; N28-N31 WeakPolarHBondContact O-CB 3.14Å; N28-N31 PolarHBondContact O-N 3.27Å; N28-L32 WeakPolarHBondContact O-CG 3.2Å; N28-L32 PolarHBondContact O-N 2.97Å
29A97.7Very high96.1Very high3 Ų348.9 Ų48.93%0.02525%0.248CC..Hα-helixtrans-61.8-42.2176.100000112.3E25 L26 N31 L32 L33 Q263 A266 A267E25-A29 WeakPolarHBondContact O-CB 2.88Å; E25-A29 PolarHBondContact O-N 2.84Å; L26-A29 PolarHBondContact O-N 2.9Å; A29-N31 VanDerWaalsContact C-N 3.33Å; A29-N31 PolarHBondContact O-N 2.92Å; A29-L32 WeakPolarHBondContact O-CB 3.47Å; A29-L32 PolarHBondContact O-N 3.48Å; A29-L32 VanDerWaalsContact O-N 3.13Å; A29-L33 WeakPolarHBondContact O-CG 3.49Å; A29-L33 PolarHBondContact O-N 2.85Å; A29-Q263 VanDerWaalsContact CB-O 3.29Å; A29-Q263 WeakPolarHBondContact CB-O 3.37Å; A29-A266 HydrophobicContact CB-CB 4.08Å; A29-A267 HydrophobicContact CB-CB 3.97Å
30F97.3Very high96Very high1 Ų149.3 Ų49.30%0.00425%0.25CS..Hα-helixtrans-59.6-42.7173.2-173.4-94.8000112.2L26 K27 N28 L32 L33 L34 I52 I172 F176 Q263 W356L26-F30 PolarHBondContact O-N 2.95Å; K27-F30 PolarHBondContact O-N 2.82Å; N28-F30 PolarHBondContact O-N 2.9Å; F30-L32 VanDerWaalsContact C-N 3.27Å; F30-L32 PolarHBondContact O-N 3.42Å; F30-L33 PolarHBondContact O-N 3.08Å; F30-L34 HydrophobicContact CD1-CD1 3.66Å; F30-L34 HydrophobicContact CD1-CG 3.74Å; F30-L34 HydrophobicContact CE1-CD1 3.44Å; F30-L34 VanDerWaalsContact CE1-CD1 3.44Å; F30-L34 HydrophobicContact CE1-CD2 3.82Å; F30-L34 HydrophobicContact CE1-CG 3.52Å; F30-L34 HydrophobicContact CZ-CD1 4.47Å; F30-L34 HydrophobicContact CZ-CD2 4.06Å; F30-L34 HydrophobicContact CZ-CG 4.18Å; F30-L34 WeakPolarHBondContact O-CG 3.19Å; F30-L34 PolarHBondContact O-N 3.24Å; F30-I52 HydrophobicContact CB-CD1 3.43Å; F30-I52 VanDerWaalsContact CB-CD1 3.43Å; F30-I52 HydrophobicContact CD1-CB 4.34Å; F30-I52 HydrophobicContact CD1-CD1 3.21Å; F30-I52 HydrophobicContact CD1-CG1 4.37Å; F30-I52 HydrophobicContact CD1-CG2 4.41Å; F30-I52 HydrophobicContact CE1-CD1 4.07Å; F30-I52 HydrophobicContact CG-CD1 3.48Å; F30-I52 VanDerWaalsContact CG-CD1 3.48Å; F30-I172 HydrophobicContact CB-CG2 4.36Å; F30-I172 HydrophobicContact CD2-CG2 4.14Å; F30-I172 HydrophobicContact CG-CG2 4.2Å; F30-F176 HydrophobicContact CD1-CE2 4.31Å; F30-F176 HydrophobicContact CE1-CD1 4.38Å; F30-F176 AromaticContact CE1-CD2 3.77Å; F30-F176 HydrophobicContact CE1-CD2 3.77Å; F30-F176 HydrophobicContact CE1-CE1 4.1Å; F30-F176 AromaticContact CE1-CE2 3.43Å; F30-F176 HydrophobicContact CE1-CE2 3.43Å; F30-F176 VanDerWaalsContact CE1-CE2 3.43Å; F30-F176 HydrophobicContact CE1-CG 4.23Å; F30-F176 AromaticContact CE1-CZ 3.62Å; F30-F176 HydrophobicContact CE1-CZ 3.62Å; F30-F176 AromaticContact CE2-CD2 3.91Å; F30-F176 HydrophobicContact CE2-CD2 3.91Å; F30-F176 HydrophobicContact CE2-CE2 4.28Å; F30-F176 HydrophobicContact CE2-CG 4.43Å; F30-F176 HydrophobicContact CZ-CB 4.21Å; F30-F176 HydrophobicContact CZ-CD1 4.06Å; F30-F176 AromaticContact CZ-CD2 3.23Å; F30-F176 HydrophobicContact CZ-CD2 3.23Å; F30-F176 HydrophobicContact CZ-CE1 4.24Å; F30-F176 AromaticContact CZ-CE2 3.44Å; F30-F176 HydrophobicContact CZ-CE2 3.44Å; F30-F176 VanDerWaalsContact CZ-CE2 3.44Å; F30-F176 AromaticContact CZ-CG 3.57Å; F30-F176 HydrophobicContact CZ-CG 3.57Å; F30-F176 AromaticContact CZ-CZ 3.95Å; F30-F176 HydrophobicContact CZ-CZ 3.95Å; F30-Q263 HydrophobicContact CB-CG 4.22Å; F30-Q263 VanDerWaalsContact CD2-CD 3.44Å; F30-Q263 HydrophobicContact CD2-CG 4.05Å; F30-Q263 VanDerWaalsContact CD2-NE2 3.33Å; F30-W356 HydrophobicContact CE2-CB 4.36Å; F30-W356 HydrophobicContact CE2-CD2 4.36Å; F30-W356 HydrophobicContact CE2-CG 4.27Å; F30-W356 HydrophobicContact CZ-CD2 4.35Å; F30-W356 HydrophobicContact CZ-CE3 4.23Å
31N95.9Very high96Very high45 Ų4548.1 Ų48.124%0.24124%0.244CC..Hα-helixtrans-60.9-35.1175.3-79.6-41.8000112.7K27 N28 A29 N35 I52K27-N31 PolarHBondContact O-N 3.14Å; K27-N31 VanDerWaalsContact O-N 3.09Å; K27-N31 PolarHBondContact O-ND2 3.26Å; N28-N31 WeakPolarHBondContact O-CB 3.14Å; N28-N31 PolarHBondContact O-N 3.27Å; A29-N31 VanDerWaalsContact C-N 3.33Å; A29-N31 PolarHBondContact O-N 2.92Å; N31-N35 VanDerWaalsContact O-CG 3.28Å; N31-N35 PolarHBondContact O-N 3.39Å; N31-N35 PolarHBondContact O-ND2 3.21Å; N31-I52 WeakPolarHBondContact OD1-CG2 3.02Å
32L94.4Very high95.9Very high92 Ų9247 Ų4748%0.48224%0.241SC..Hα-helixtrans-64.8-48.9173.2-65173.1000111N28 A29 F30 L34 N35 E36N28-L32 WeakPolarHBondContact O-CG 3.2Å; N28-L32 PolarHBondContact O-N 2.97Å; A29-L32 WeakPolarHBondContact O-CB 3.47Å; A29-L32 PolarHBondContact O-N 3.48Å; A29-L32 VanDerWaalsContact O-N 3.13Å; F30-L32 VanDerWaalsContact C-N 3.27Å; F30-L32 PolarHBondContact O-N 3.42Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 2.96Å; L32-N35 WeakPolarHBondContact O-CB 3.33Å; L32-N35 PolarHBondContact O-N 3.11Å; L32-E36 WeakPolarHBondContact O-CG 3.47Å; L32-E36 PolarHBondContact O-N 3.25Å
33L94.3Very high95.7Very high24 Ų2450.6 Ų50.613%0.12626%0.264CS..Hα-helixtrans-61.1-39.2177.9-65176.8000112.5A29 F30 N35 E36 N37 K262 Q263 W356A29-L33 WeakPolarHBondContact O-CG 3.49Å; A29-L33 PolarHBondContact O-N 2.85Å; F30-L33 PolarHBondContact O-N 3.08Å; L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 3.05Å; L33-E36 PolarHBondContact O-N 3.26Å; L33-N37 PolarHBondContact O-N 3.33Å; L33-K262 HydrophobicContact CD1-CB 4.16Å; L33-Q263 HydrophobicContact CD1-CB 4.32Å; L33-Q263 HydrophobicContact CD1-CG 3.5Å; L33-Q263 VanDerWaalsContact CD1-CG 3.5Å; L33-W356 WeakPolarHBondContact CB-OXT 3.4Å
34L94.9Very high95.5Very high2 Ų250.6 Ų50.61%0.0126%0.264CS..Hα-helixtrans-59.1-40.2172.4-78.9-176.8000112.6F30 L32 N37 K45 A48 K49 W356F30-L34 HydrophobicContact CD1-CD1 3.66Å; F30-L34 HydrophobicContact CD1-CG 3.74Å; F30-L34 HydrophobicContact CE1-CD1 3.44Å; F30-L34 VanDerWaalsContact CE1-CD1 3.44Å; F30-L34 HydrophobicContact CE1-CD2 3.82Å; F30-L34 HydrophobicContact CE1-CG 3.52Å; F30-L34 HydrophobicContact CZ-CD1 4.47Å; F30-L34 HydrophobicContact CZ-CD2 4.06Å; F30-L34 HydrophobicContact CZ-CG 4.18Å; F30-L34 WeakPolarHBondContact O-CG 3.19Å; F30-L34 PolarHBondContact O-N 3.24Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 2.96Å; L34-N37 PolarHBondContact O-ND2 3.23Å; L34-N37 VanDerWaalsContact O-ND2 3.14Å; L34-K45 WeakPolarHBondContact O-CD 3.49Å; L34-K45 WeakPolarHBondContact O-CE 3.49Å; L34-K45 PolarHBondContact O-NZ 2.98Å; L34-A48 HydrophobicContact CD1-CB 3.73Å; L34-A48 HydrophobicContact CD2-CB 3.93Å; L34-K49 HydrophobicContact CD1-CG 4.06Å; L34-W356 HydrophobicContact CD2-CE3 3.91Å; L34-W356 HydrophobicContact CD2-CZ3 3.67Å
35N94.4Very high95.4Very high80 Ų8048.2 Ų48.243%0.42825%0.248SC..Hα-helixtrans-69.7-42179.1-72.1-36.2000111.5N31 L32 L33 K45 K49N31-N35 VanDerWaalsContact O-CG 3.28Å; N31-N35 PolarHBondContact O-N 3.39Å; N31-N35 PolarHBondContact O-ND2 3.21Å; L32-N35 WeakPolarHBondContact O-CB 3.33Å; L32-N35 PolarHBondContact O-N 3.11Å; L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 3.05Å; N35-K45 PolarHBondContact O-NZ 3.12Å; N35-K49 WeakPolarHBondContact OD1-CE 3.48Å; N35-K49 PolarHBondContact OD1-NZ 2.9Å
36E92.8Very high95.2Very high150 Ų15048.6 Ų48.670%0.70125%0.25SC*.Hα-helixtrans-73-25-176.9-70.3176.8-176.800113.7L32 L33L32-E36 WeakPolarHBondContact O-CG 3.47Å; L32-E36 PolarHBondContact O-N 3.25Å; L33-E36 PolarHBondContact O-N 3.26Å
37N92.1Very high95Very high16 Ų1651.4 Ų51.49%0.08626%0.262CS..  trans-63.1144.9178.784.147.2000111.4L33 L34 M40 K45L33-N37 PolarHBondContact O-N 3.33Å; L34-N37 PolarHBondContact O-ND2 3.23Å; L34-N37 VanDerWaalsContact O-ND2 3.14Å; N37-M40 WeakPolarHBondContact OD1-CB 3.31Å; N37-K45 WeakPolarHBondContact O-CE 3.44Å; N37-K45 PolarHBondContact O-NZ 2.88Å; N37-K45 WeakPolarHBondContact OD1-CE 3.36Å
38N94.3Very high94.9Very high146 Ų14649.8 Ų49.878%0.78126%0.255SS*.SBendtrans-114.1-0.6-174.962.8-2.3000113.5
39W95.7Very high94.8Very high13 Ų1348.1 Ų48.15%0.04924%0.244CC..SBendtrans-93.2-30.8-17565.9-94.7000112W212 S216 K219 F220 K223 V355 W356W39-W212 AromaticContact CH2-CH2 3.93Å; W39-W212 HydrophobicContact CH2-CH2 3.93Å; W39-W212 AromaticContact CH2-CZ3 3.83Å; W39-W212 HydrophobicContact CH2-CZ3 3.83Å; W39-W212 HydrophobicContact CZ3-CH2 4.43Å; W39-W212 AromaticContact CZ3-CZ3 3.87Å; W39-W212 HydrophobicContact CZ3-CZ3 3.87Å; W39-S216 WeakPolarHBondContact CZ3-O 3.38Å; W39-K219 HydrophobicContact CB-CD 4.34Å; W39-K219 HydrophobicContact CE3-CB 3.91Å; W39-K219 WeakPolarHBondContact O-CD 3.44Å; W39-K219 PolarHBondContact O-NZ 3.08Å; W39-K219 VanDerWaalsContact O-NZ 3.13Å; W39-F220 HydrophobicContact CH2-CB 3.87Å; W39-F220 AromaticContact CH2-CD2 3.76Å; W39-F220 HydrophobicContact CH2-CD2 3.76Å; W39-F220 HydrophobicContact CH2-CG 4.3Å; W39-F220 HydrophobicContact CZ2-CD2 4.44Å; W39-F220 HydrophobicContact CZ3-CB 3.7Å; W39-F220 HydrophobicContact CZ3-CD2 4.46Å; W39-K223 HydrophobicContact CB-CD 4.33Å; W39-K223 VanDerWaalsContact CB-CE 3.41Å; W39-K223 HydrophobicContact CD2-CD 3.83Å; W39-K223 HydrophobicContact CE3-CD 4.4Å; W39-K223 HydrophobicContact CG-CD 3.81Å; W39-V355 HydrophobicContact CZ2-CG1 4.02Å; W39-V355 PolarHBondContact NE1-O 3.13Å; W39-W356 AromaticContact CH2-CH2 3.9Å; W39-W356 HydrophobicContact CH2-CH2 3.9Å; W39-W356 HydrophobicContact CH2-CZ3 4.2Å; W39-W356 HydrophobicContact CZ2-CE3 4.22Å; W39-W356 AromaticContact CZ2-CH2 3.81Å; W39-W356 HydrophobicContact CZ2-CH2 3.81Å; W39-W356 HydrophobicContact CZ2-CZ2 4.41Å; W39-W356 AromaticContact CZ2-CZ3 3.7Å; W39-W356 HydrophobicContact CZ2-CZ3 3.7Å
40M95.2Very high94.7Very high10 Ų1051.5 Ų51.55%0.04926%0.259CS..SBendtrans-89.9138.9-179.5-172.1-176.2-73.400111.2N37 T44 K45 W212 W356N37-M40 WeakPolarHBondContact OD1-CB 3.31Å; M40-T44 HydrophobicContact CE-CG2 4.01Å; M40-T44 HydrophobicContact CG-CG2 3.69Å; M40-T44 HydrophobicContact SD-CG2 3.64Å; M40-K45 HydrophobicContact CB-CG 4.1Å; M40-K45 HydrophobicContact CG-CG 3.85Å; M40-K45 WeakPolarHBondContact O-CE 3.31Å; M40-K45 HydrophobicContact SD-CB 4.2Å; M40-K45 HydrophobicContact SD-CG 3.59Å; M40-K45 VanDerWaalsContact SD-CG 3.59Å; M40-K45 PolarHBondContact SD-N 3.35Å; M40-K45 VanDerWaalsContact SD-N 3.43Å; M40-W212 HydrophobicContact CE-CH2 3.88Å; M40-W212 HydrophobicContact CE-CZ3 3.85Å; M40-W356 HydrophobicContact CE-CH2 3.44Å; M40-W356 VanDerWaalsContact CE-CH2 3.44Å; M40-W356 HydrophobicContact CE-CZ3 3.41Å; M40-W356 VanDerWaalsContact CE-CZ3 3.41Å
41D95.5Very high94.6Very high45 Ų4551.6 Ų51.624%0.24126%0.26CS..  trans-75.8161.5173.362.831.6000113.5T44 K45 T213 S216D41-T44 PolarHBondContact O-N 2.74Å; D41-T44 WeakPolarHBondContact OD1-CB 3.5Å; D41-T44 PolarHBondContact OD1-N 3Å; D41-T44 PolarHBondContact OD1-OG1 3.06Å; D41-K45 WeakPolarHBondContact O-CG 3.17Å; D41-K45 PolarHBondContact O-N 3.1Å; D41-T213 WeakPolarHBondContact OD2-CB 3.42Å; D41-T213 WeakPolarHBondContact OD2-CG2 3.35Å; D41-T213 PolarHBondContact OD2-OG1 2.88Å; D41-S216 PolarHBondContact N-OG 3.46Å; D41-S216 VanDerWaalsContact N-OG 3.11Å; D41-S216 PolarHBondContact OD1-OG 3.27Å; D41-S216 PolarHBondContact OD2-OG 3.09Å
42E94.7Very high94.7Very high99 Ų9949.5 Ų49.546%0.46325%0.249SC..Hα-helixtrans-60.7-41.9-175.6-165.559-15300113.6T44 K45 Q46 K49E42-T44 PolarHBondContact O-N 3.28Å; E42-K45 PolarHBondContact O-N 3.05Å; E42-Q46 WeakPolarHBondContact O-CG 3.5Å; E42-Q46 PolarHBondContact O-N 3.17Å; E42-Q46 PolarHBondContact OE1-NE2 3.39Å; E42-K49 IonicContact OE1-NZ 3.08Å
43P93.2Very high94.8Very high83 Ų8352.6 Ų52.654%0.53926%0.26SS..Hα-helixtrans-57.3-45175.1-2635.8000113.2Q46 K47 T213P43-Q46 PolarHBondContact O-N 3.01Å; P43-K47 PolarHBondContact O-N 3.45Å; P43-T213 HydrophobicContact CB-CG2 4.48Å
44T93.7Very high94.9Very high0 Ų054.6 Ų54.60%027%0.269CS..Hα-helixtrans-67.8-39178.4-50.30000110.8M40 D41 E42 Q46 K47 A48 W211 W212 T213 S216M40-T44 HydrophobicContact CE-CG2 4.01Å; M40-T44 HydrophobicContact CG-CG2 3.69Å; M40-T44 HydrophobicContact SD-CG2 3.64Å; D41-T44 PolarHBondContact O-N 2.74Å; D41-T44 WeakPolarHBondContact OD1-CB 3.5Å; D41-T44 PolarHBondContact OD1-N 3Å; D41-T44 PolarHBondContact OD1-OG1 3.06Å; E42-T44 PolarHBondContact O-N 3.28Å; T44-Q46 VanDerWaalsContact C-N 3.32Å; T44-Q46 PolarHBondContact O-N 3.5Å; T44-K47 PolarHBondContact O-N 3.43Å; T44-A48 PolarHBondContact O-N 3.46Å; T44-W211 HydrophobicContact CG2-CE3 4.37Å; T44-W211 HydrophobicContact CG2-CZ3 4.4Å; T44-W212 HydrophobicContact CG2-CD2 4.04Å; T44-W212 HydrophobicContact CG2-CE3 3.56Å; T44-W212 HydrophobicContact CG2-CZ3 3.89Å; T44-T213 PolarHBondContact OG1-N 3.47Å; T44-S216 WeakPolarHBondContact OG1-CB 3.45Å; T44-S216 PolarHBondContact OG1-OG 2.83Å
45K95.4Very high95.1Very high19 Ų1954.8 Ų54.88%0.08327%0.27CS..Hα-helixtrans-59.2-41.5174.3-74.9-178.2178.4-1730112.3L34 N35 N37 M40 D41 E42 K47 A48 K49L34-K45 WeakPolarHBondContact O-CD 3.49Å; L34-K45 WeakPolarHBondContact O-CE 3.49Å; L34-K45 PolarHBondContact O-NZ 2.98Å; N35-K45 PolarHBondContact O-NZ 3.12Å; N37-K45 WeakPolarHBondContact O-CE 3.44Å; N37-K45 PolarHBondContact O-NZ 2.88Å; N37-K45 WeakPolarHBondContact OD1-CE 3.36Å; M40-K45 HydrophobicContact CB-CG 4.1Å; M40-K45 HydrophobicContact CG-CG 3.85Å; M40-K45 WeakPolarHBondContact O-CE 3.31Å; M40-K45 HydrophobicContact SD-CB 4.2Å; M40-K45 HydrophobicContact SD-CG 3.59Å; M40-K45 VanDerWaalsContact SD-CG 3.59Å; M40-K45 PolarHBondContact SD-N 3.35Å; M40-K45 VanDerWaalsContact SD-N 3.43Å; D41-K45 WeakPolarHBondContact O-CG 3.17Å; D41-K45 PolarHBondContact O-N 3.1Å; E42-K45 PolarHBondContact O-N 3.05Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 2.05Å; K45-A48 PolarHBondContact O-N 3.2Å; K45-K49 VanDerWaalsContact O-CG 3.31Å; K45-K49 WeakPolarHBondContact O-CG 3.32Å; K45-K49 PolarHBondContact O-N 3.23Å
46Q94.4Very high95.2Very high81 Ų8152.2 Ų52.238%0.37926%0.256SS..Hα-helixtrans-64.1-39.4177.4-66.5-59.1-35.600111.5E42 P43 T44 K49 E50E42-Q46 WeakPolarHBondContact O-CG 3.5Å; E42-Q46 PolarHBondContact O-N 3.17Å; E42-Q46 PolarHBondContact OE1-NE2 3.39Å; P43-Q46 PolarHBondContact O-N 3.01Å; T44-Q46 VanDerWaalsContact C-N 3.32Å; T44-Q46 PolarHBondContact O-N 3.5Å; Q46-K49 WeakPolarHBondContact O-CB 3.43Å; Q46-K49 PolarHBondContact O-N 3.47Å; Q46-E50 WeakPolarHBondContact O-CG 3.31Å; Q46-E50 PolarHBondContact O-N 2.9Å
47K93.8Very high95.4Very high59 Ų5946.8 Ų46.826%0.25723%0.234SC..Hα-helixtrans-65.6-38.8173.1-65.4-61.5172.1-155.50113.4P43 T44 K45 K49 E50 K51 Y209 W211P43-K47 PolarHBondContact O-N 3.45Å; T44-K47 PolarHBondContact O-N 3.43Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 2.05Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3.31Å; K47-E50 WeakPolarHBondContact CD-OE2 3.13Å; K47-E50 VanDerWaalsContact NZ-CD 3.3Å; K47-E50 IonicContact NZ-OE1 2.95Å; K47-E50 PolarHBondContact NZ-OE1 2.9Å; K47-E50 IonicContact NZ-OE2 3.92Å; K47-E50 PolarHBondContact NZ-OE2 3Å; K47-E50 PolarHBondContact O-N 2.85Å; K47-K51 PolarHBondContact O-N 3.02Å; K47-Y209 HydrophobicContact CD-CE1 4.08Å; K47-Y209 VanDerWaalsContact CE-OH 3.29Å; K47-Y209 WeakPolarHBondContact CE-OH 3.08Å; K47-Y209 PolarHBondContact NZ-OH 2.92Å; K47-W211 HydrophobicContact CB-CB 4.06Å; K47-W211 HydrophobicContact CB-CE3 4.1Å; K47-W211 HydrophobicContact CG-CB 4.12Å
48A95.5Very high95.6Very high0 Ų046.9 Ų46.90%024%0.236CC..Hα-helixtrans-63-40.6173.800000112.1L34 T44 K45 K51 I52 F176L34-A48 HydrophobicContact CD1-CB 3.73Å; L34-A48 HydrophobicContact CD2-CB 3.93Å; T44-A48 PolarHBondContact O-N 3.46Å; K45-A48 PolarHBondContact O-N 3.2Å; A48-K51 PolarHBondContact O-N 3.34Å; A48-I52 PolarHBondContact O-N 3Å; A48-F176 HydrophobicContact CB-CD1 4.43Å; A48-F176 HydrophobicContact CB-CE1 3.9Å
49K95.9Very high95.7Very high43 Ų4340.3 Ų40.319%0.18720%0.201CC..Hα-helixtrans-62.8-43.7173.6-70.9169.6-175.21720112.5L34 N35 E42 K45 Q46 K47 K51 I52 H53L34-K49 HydrophobicContact CD1-CG 4.06Å; N35-K49 WeakPolarHBondContact OD1-CE 3.48Å; N35-K49 PolarHBondContact OD1-NZ 2.9Å; E42-K49 IonicContact OE1-NZ 3.08Å; K45-K49 VanDerWaalsContact O-CG 3.31Å; K45-K49 WeakPolarHBondContact O-CG 3.32Å; K45-K49 PolarHBondContact O-N 3.23Å; Q46-K49 WeakPolarHBondContact O-CB 3.43Å; Q46-K49 PolarHBondContact O-N 3.47Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3.31Å; K49-K51 VanDerWaalsContact C-N 3.31Å; K49-K51 PolarHBondContact O-N 3.15Å; K49-I52 VanDerWaalsContact O-CG2 3.26Å; K49-I52 WeakPolarHBondContact O-CG2 3.26Å; K49-H53 WeakPolarHBondContact O-CB 3.44Å; K49-H53 PolarHBondContact O-N 3.43Å
50E95.4Very high95.6Very high74 Ų7439.7 Ų39.735%0.34620%0.199SC..Hα-helixtrans-58.8-44.8174-73171.9-154.600110.8Q46 K47 H53 Q54Q46-E50 WeakPolarHBondContact O-CG 3.31Å; Q46-E50 PolarHBondContact O-N 2.9Å; K47-E50 WeakPolarHBondContact CD-OE2 3.13Å; K47-E50 VanDerWaalsContact NZ-CD 3.3Å; K47-E50 IonicContact NZ-OE1 2.95Å; K47-E50 PolarHBondContact NZ-OE1 2.9Å; K47-E50 IonicContact NZ-OE2 3.92Å; K47-E50 PolarHBondContact NZ-OE2 3Å; K47-E50 PolarHBondContact O-N 2.85Å; E50-H53 PolarHBondContact O-N 2.76Å; E50-Q54 WeakPolarHBondContact O-CG 3.13Å; E50-Q54 PolarHBondContact O-N 3.03Å
51K96.2Very high95.5Very high3 Ų341.2 Ų41.21%0.01320%0.204CC..Hα-helixtrans-62.2-47.3-179.8-179.2168.4-171.1177.20113.1K47 A48 K49 H53 Q54 M55 Y132 N137 G175 F176 G180 Y183K47-K51 PolarHBondContact O-N 3.02Å; A48-K51 PolarHBondContact O-N 3.34Å; K49-K51 VanDerWaalsContact C-N 3.31Å; K49-K51 PolarHBondContact O-N 3.15Å; K51-H53 VanDerWaalsContact C-N 3.32Å; K51-H53 PolarHBondContact O-N 2.96Å; K51-Q54 PolarHBondContact O-N 3.29Å; K51-M55 PolarHBondContact O-N 3.28Å; K51-M55 VanDerWaalsContact O-N 3.15Å; K51-Y132 WeakPolarHBondContact CE-OH 3.45Å; K51-N137 PolarHBondContact O-ND2 3.37Å; K51-G175 WeakPolarHBondContact CE-O 3.5Å; K51-G175 PolarHBondContact NZ-O 3.27Å; K51-F176 HydrophobicContact CB-CE1 4Å; K51-F176 HydrophobicContact CB-CZ 4.01Å; K51-F176 HydrophobicContact CD-CD1 4.38Å; K51-F176 HydrophobicContact CD-CE1 3.78Å; K51-F176 HydrophobicContact CD-CZ 4.06Å; K51-F176 HydrophobicContact CG-CE1 4.03Å; K51-F176 HydrophobicContact CG-CZ 3.89Å; K51-G180 PolarHBondContact NZ-O 3.4Å; K51-Y183 WeakPolarHBondContact CE-O 3.33Å; K51-Y183 PolarHBondContact NZ-O 3.08Å
52I96.8Very high95.4Very high1 Ų140.1 Ų40.11%0.00520%0.2CC..Hα-helixtrans-68.4-33.6178.6-169.6161.3000112.4K27 F30 N31 A48 K49 Q54 M55 I172 F176K27-I52 HydrophobicContact CB-CD1 4.05Å; K27-I52 HydrophobicContact CB-CG1 4.15Å; K27-I52 HydrophobicContact CD-CG1 4.37Å; K27-I52 HydrophobicContact CG-CD1 4.03Å; K27-I52 HydrophobicContact CG-CG1 3.88Å; F30-I52 HydrophobicContact CB-CD1 3.43Å; F30-I52 VanDerWaalsContact CB-CD1 3.43Å; F30-I52 HydrophobicContact CD1-CB 4.34Å; F30-I52 HydrophobicContact CD1-CD1 3.21Å; F30-I52 HydrophobicContact CD1-CG1 4.37Å; F30-I52 HydrophobicContact CD1-CG2 4.41Å; F30-I52 HydrophobicContact CE1-CD1 4.07Å; F30-I52 HydrophobicContact CG-CD1 3.48Å; F30-I52 VanDerWaalsContact CG-CD1 3.48Å; N31-I52 WeakPolarHBondContact OD1-CG2 3.02Å; A48-I52 PolarHBondContact O-N 3Å; K49-I52 VanDerWaalsContact O-CG2 3.26Å; K49-I52 WeakPolarHBondContact O-CG2 3.26Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 2.8Å; I52-M55 WeakPolarHBondContact O-CB 3.42Å; I52-M55 PolarHBondContact O-N 3.08Å; I52-I172 HydrophobicContact CD1-CG2 3.71Å; I52-F176 HydrophobicContact CB-CE2 4.35Å; I52-F176 HydrophobicContact CB-CZ 4.04Å
53H96.7Very high95.1Very high156 Ų15642.5 Ų42.572%0.72221%0.211SC*.Hα-helixtrans-63.4-38.7174.6-17669.4000111.9K49 E50 K51 M55K49-H53 WeakPolarHBondContact O-CB 3.44Å; K49-H53 PolarHBondContact O-N 3.43Å; E50-H53 PolarHBondContact O-N 2.76Å; K51-H53 VanDerWaalsContact C-N 3.32Å; K51-H53 PolarHBondContact O-N 2.96Å; H53-M55 VanDerWaalsContact C-N 3.31Å; H53-M55 PolarHBondContact O-N 3.42Å
54Q96.9Very high94.9Very high67 Ų6742 Ų4231%0.31320%0.202SC..THydrogen-bonded Turntrans-83.5-0.3178.1-66.1-62.6-24.700114.5E50 K51 I52 I56 R118 S185E50-Q54 WeakPolarHBondContact O-CG 3.13Å; E50-Q54 PolarHBondContact O-N 3.03Å; K51-Q54 PolarHBondContact O-N 3.29Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 2.8Å; Q54-I56 PolarHBondContact O-N 3.05Å; Q54-R118 PolarHBondContact O-NH2 2.96Å; Q54-S185 WeakPolarHBondContact CB-O 3.5Å
55M98.1Very high94.7Very high5 Ų542.5 Ų42.53%0.02520%0.204CC..  trans-71.7124.1-179.5-176.4-176.8-77.500110.6K27 K51 I52 H53 Y132 N137 I139 I172 F176K27-M55 PolarHBondContact NZ-O 2.88Å; K51-M55 PolarHBondContact O-N 3.28Å; K51-M55 VanDerWaalsContact O-N 3.15Å; I52-M55 WeakPolarHBondContact O-CB 3.42Å; I52-M55 PolarHBondContact O-N 3.08Å; H53-M55 VanDerWaalsContact C-N 3.31Å; H53-M55 PolarHBondContact O-N 3.42Å; M55-Y132 HydrophobicContact CE-CE2 4.14Å; M55-N137 CarbonylContact C-O 3.52Å; M55-N137 VanDerWaalsContact CA-O 3.28Å; M55-N137 WeakPolarHBondContact CA-O 3.49Å; M55-N137 PolarHBondContact N-ND2 3.07Å; M55-I139 HydrophobicContact CG-CG1 4.49Å; M55-I139 HydrophobicContact CG-CG2 4.34Å; M55-I139 HydrophobicContact SD-CD1 3.98Å; M55-I139 HydrophobicContact SD-CG1 4.32Å; M55-I139 HydrophobicContact SD-CG2 3.75Å; M55-I172 HydrophobicContact CE-CG2 4.39Å; M55-I172 HydrophobicContact SD-CB 4.37Å; M55-I172 HydrophobicContact SD-CG1 3.96Å; M55-I172 HydrophobicContact SD-CG2 4.42Å; M55-F176 HydrophobicContact CE-CE2 4.21Å
56I97.5Very high94.3Very high26 Ų2647.4 Ų47.413%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-86.1137.4180-65.4162.1000109.7Q54 R118 N137 S138 I139Q54-I56 PolarHBondContact O-N 3.05Å; I56-R118 HydrophobicContact CD1-CB 3.59Å; I56-N137 PolarHBondContact N-O 3.47Å; I56-S138 CarbonylContact O-C 3.48Å; I56-S138 WeakPolarHBondContact O-CA 3.36Å; I56-S138 PolarHBondContact O-OG 2.73Å; I56-I139 PolarHBondContact O-N 2.62Å
57S97Very high94.2Very high36 Ų3649.5 Ų49.525%0.25224%0.239SC..EExtended strand (participates in β ladder)trans-115.3128.5174.447.40000111.9I139S57-I139 WeakPolarHBondContact CA-O 3.33Å
58S96Very high94.1Very high18 Ų1848.5 Ų48.513%0.12624%0.236CC..EExtended strand (participates in β ladder)trans-119.9112.7178.8-570000110.9I139 V140 F141S58-I139 PolarHBondContact N-O 3.49Å; S58-V140 WeakPolarHBondContact O-CA 3.28Å; S58-F141 PolarHBondContact O-N 2.92Å
59I95.5Very high93.9Very high8 Ų854.6 Ų54.64%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-110.1129.3-170.3-48-52.6000111.8F11 K16 V19 V23 Y61 F141 L146F11-I59 HydrophobicContact CZ-CG2 4.38Å; K16-I59 WeakPolarHBondContact CE-O 3.46Å; K16-I59 HydrophobicContact CG-CB 4.08Å; K16-I59 HydrophobicContact CG-CG2 4.06Å; V19-I59 HydrophobicContact CB-CG2 3.87Å; V19-I59 HydrophobicContact CG1-CD1 4.09Å; V19-I59 HydrophobicContact CG1-CG1 4.45Å; V19-I59 HydrophobicContact CG1-CG2 3.69Å; V23-I59 HydrophobicContact CG2-CD1 4.05Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 3.31Å; I59-F141 HydrophobicContact CD1-CB 4.33Å; I59-F141 HydrophobicContact CD1-CD2 3.55Å; I59-F141 HydrophobicContact CD1-CE2 4.36Å; I59-F141 HydrophobicContact CD1-CG 4.37Å; I59-L146 HydrophobicContact CG2-CD1 3.74Å
60G94.5Very high93.7Very high0 Ų057.3 Ų57.30%029%0.289CS..EExtended strand (participates in β ladder)trans80.6-65.3170.200000113.7P125 F141 A143G60-P125 WeakPolarHBondContact O-CB 3.4Å; G60-F141 WeakPolarHBondContact CA-O 3.45Å; G60-F141 PolarHBondContact N-O 3.39Å; G60-A143 WeakPolarHBondContact O-CB 3.26Å; G60-A143 PolarHBondContact O-N 2.66Å
61Y93.5Very high93.4Very high42 Ų4255.9 Ų55.917%0.16528%0.283CS..SBendtrans-158.2152.8-172.553.4-95.8000114V6 F11 N13 I59 I65V6-Y61 HydrophobicContact CB-CD1 4.41Å; V6-Y61 HydrophobicContact CG1-CD1 3.56Å; V6-Y61 HydrophobicContact CG1-CE1 3.64Å; V6-Y61 HydrophobicContact CG1-CG 4.32Å; V6-Y61 HydrophobicContact CG2-CD1 3.92Å; V6-Y61 HydrophobicContact CG2-CG 4.25Å; F11-Y61 HydrophobicContact CD1-CD1 4.12Å; F11-Y61 AromaticContact CD1-CE1 3.95Å; F11-Y61 HydrophobicContact CD1-CE1 3.95Å; F11-Y61 HydrophobicContact CE1-CE1 4.39Å; N13-Y61 PolarHBondContact OD1-OH 3.23Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 3.31Å; Y61-I65 HydrophobicContact CD2-CD1 4.32Å; Y61-I65 HydrophobicContact CD2-CG2 3.72Å; Y61-I65 HydrophobicContact CE2-CG2 4.16Å; Y61-I65 HydrophobicContact CG-CD1 4.18Å
62P92.1Very high93.2Very high23 Ų2361 Ų6115%0.14930%0.303CS..  trans-65.3150.1174.523.1-31.4000112.4E64 I65 F121P62-E64 HydrophobicContact CB-CB 4.33Å; P62-E64 WeakPolarHBondContact CB-OE2 3.35Å; P62-E64 PolarHBondContact O-N 3.23Å; P62-I65 VanDerWaalsContact O-CB 3.3Å; P62-I65 WeakPolarHBondContact O-CB 3.07Å; P62-I65 WeakPolarHBondContact O-CG2 3.34Å; P62-I65 PolarHBondContact O-N 2.9Å; P62-F121 HydrophobicContact CB-CB 3.77Å; P62-F121 HydrophobicContact CB-CD2 4.32Å; P62-F121 HydrophobicContact CB-CG 4.07Å; P62-F121 HydrophobicContact CG-CB 4.32Å; P62-F121 HydrophobicContact CG-CG 4.27Å
63E88.1Confident93Very high149 Ų14965.3 Ų65.370%0.69632%0.323SS*.G310 helixtrans-63.4-29.2173.5-64.5-166.7165.300112I65 N66E63-I65 PolarHBondContact O-N 3.37Å; E63-N66 PolarHBondContact O-N 2.99Å
64E89.3Confident92.8Very high73 Ų7358.5 Ų58.534%0.34129%0.293SS..G310 helixtrans-58.7-15.7175.8-67.576-167.400113.3P62 N66 K67 L68 I71P62-E64 HydrophobicContact CB-CB 4.33Å; P62-E64 WeakPolarHBondContact CB-OE2 3.35Å; P62-E64 PolarHBondContact O-N 3.23Å; E64-N66 PolarHBondContact O-N 3.1Å; E64-K67 CarbonylContact O-C 3.41Å; E64-K67 WeakPolarHBondContact O-CA 3.41Å; E64-K67 PolarHBondContact O-N 3.3Å; E64-L68 PolarHBondContact O-N 3.34Å; E64-I71 HydrophobicContact CB-CD1 3.82Å; E64-I71 HydrophobicContact CG-CD1 4.19Å
65I89.8Confident92.6Very high10 Ų1055.9 Ų55.95%0.05128%0.281CS..G310 helixtrans-56.6-22.5176.8-156.4164.2000112.8K3 V6 Y61 P62 E63 L68 P125K3-I65 HydrophobicContact CB-CD1 4.28Å; K3-I65 HydrophobicContact CB-CG1 3.77Å; K3-I65 HydrophobicContact CG-CG1 4.2Å; V6-I65 HydrophobicContact CB-CD1 4.31Å; V6-I65 HydrophobicContact CG2-CD1 3.97Å; Y61-I65 HydrophobicContact CD2-CD1 4.32Å; Y61-I65 HydrophobicContact CD2-CG2 3.72Å; Y61-I65 HydrophobicContact CE2-CG2 4.16Å; Y61-I65 HydrophobicContact CG-CD1 4.18Å; P62-I65 VanDerWaalsContact O-CB 3.3Å; P62-I65 WeakPolarHBondContact O-CB 3.07Å; P62-I65 WeakPolarHBondContact O-CG2 3.34Å; P62-I65 PolarHBondContact O-N 2.9Å; E63-I65 PolarHBondContact O-N 3.37Å; I65-L68 WeakPolarHBondContact O-CG 3.25Å; I65-P125 HydrophobicContact CD1-CG 4.33Å
66N88.4Confident92.3Very high121 Ų12161.4 Ų61.465%0.64731%0.31SS*.G310 helixtrans-91.7-9176.4-64.5-41.2000113.8E63 E64E63-N66 PolarHBondContact O-N 2.99Å; E64-N66 PolarHBondContact O-N 3.1Å
67K92Very high91.8Very high125 Ų12566 Ų6654%0.54333%0.331SS..SBendtrans-111.816.2-177.7-57.6176.9-175.2168.80112.5E64 D69 T70 I71E64-K67 CarbonylContact O-C 3.41Å; E64-K67 WeakPolarHBondContact O-CA 3.41Å; E64-K67 PolarHBondContact O-N 3.3Å; K67-D69 VanDerWaalsContact C-N 3.29Å; K67-D69 PolarHBondContact O-N 3.2Å; K67-T70 PolarHBondContact O-N 3.06Å; K67-I71 HydrophobicContact CB-CD1 4.3Å; K67-I71 WeakPolarHBondContact O-CG1 3.42Å; K67-I71 PolarHBondContact O-N 2.92Å
68L91.6Very high91Very high39 Ų3972.6 Ų72.620%0.20436%0.355CS..Hα-helixtrans-60.1-37.1-173.4-63.3-176.9000112.9K3 E64 I65 I71 Y72K3-L68 HydrophobicContact CB-CD1 3.79Å; K3-L68 HydrophobicContact CD-CD1 4.09Å; E64-L68 PolarHBondContact O-N 3.34Å; I65-L68 WeakPolarHBondContact O-CG 3.25Å; L68-I71 HydrophobicContact CD2-CD1 4.48Å; L68-I71 PolarHBondContact O-N 3.18Å; L68-Y72 HydrophobicContact CB-CD2 4.18Å; L68-Y72 HydrophobicContact CB-CE2 4.26Å; L68-Y72 HydrophobicContact CD2-CE2 4.04Å; L68-Y72 WeakPolarHBondContact O-CD2 3.36Å; L68-Y72 PolarHBondContact O-N 3.09Å
69D90.6Very high90.5Very high128 Ų12874.6 Ų74.668%0.68436%0.363SS*.Hα-helixtrans-62.5-47.6-179.9-57.3-26.6000110K67 I71 Y72 E73K67-D69 VanDerWaalsContact C-N 3.29Å; K67-D69 PolarHBondContact O-N 3.2Å; D69-I71 VanDerWaalsContact C-N 3.33Å; D69-I71 PolarHBondContact O-N 3.09Å; D69-Y72 PolarHBondContact O-N 3.42Å; D69-E73 WeakPolarHBondContact O-CB 3.5Å; D69-E73 PolarHBondContact O-N 3.34Å
70T91.1Very high89.9Confident100 Ų10080.5 Ų80.561%0.61339%0.394SS*.Hα-helixtrans-61.1-38.9173.2-47.40000112.8K67K67-T70 PolarHBondContact O-N 3.06Å
71I90.6Very high89.4Confident44 Ų4485.5 Ų85.523%0.22642%0.421CS..Hα-helixtrans-67.8-38.9-178.8-71166.2000111.5E64 K67 L68 D69 W103E64-I71 HydrophobicContact CB-CD1 3.82Å; E64-I71 HydrophobicContact CG-CD1 4.19Å; K67-I71 HydrophobicContact CB-CD1 4.3Å; K67-I71 WeakPolarHBondContact O-CG1 3.42Å; K67-I71 PolarHBondContact O-N 2.92Å; L68-I71 HydrophobicContact CD2-CD1 4.48Å; L68-I71 PolarHBondContact O-N 3.18Å; D69-I71 VanDerWaalsContact C-N 3.33Å; D69-I71 PolarHBondContact O-N 3.09Å; I71-W103 HydrophobicContact CG2-CH2 4.32Å; I71-W103 HydrophobicContact CG2-CZ2 4.4Å; I71-W103 WeakPolarHBondContact O-CZ2 3.44Å
72Y91.8Very high89.2Confident110 Ų11084.2 Ų84.243%0.43142%0.416SS..Hα-helixtrans-98.1-5.1-175.6-65.5-64.2000113.9L68 D69 P74 L75 W103L68-Y72 HydrophobicContact CB-CD2 4.18Å; L68-Y72 HydrophobicContact CB-CE2 4.26Å; L68-Y72 HydrophobicContact CD2-CE2 4.04Å; L68-Y72 WeakPolarHBondContact O-CD2 3.36Å; L68-Y72 PolarHBondContact O-N 3.09Å; D69-Y72 PolarHBondContact O-N 3.42Å; Y72-P74 VanDerWaalsContact C-N 3.28Å; Y72-L75 HydrophobicContact CD1-CD1 3.9Å; Y72-L75 WeakPolarHBondContact O-CB 3.42Å; Y72-L75 PolarHBondContact O-N 2.88Å; Y72-W103 AromaticContact CD1-CH2 3.64Å; Y72-W103 HydrophobicContact CD1-CH2 3.64Å; Y72-W103 HydrophobicContact CD1-CZ2 4.13Å; Y72-W103 HydrophobicContact CD1-CZ3 4.16Å; Y72-W103 AromaticContact CE1-CH2 3.55Å; Y72-W103 HydrophobicContact CE1-CH2 3.55Å; Y72-W103 HydrophobicContact CE1-CZ2 4.46Å; Y72-W103 AromaticContact CE1-CZ3 3.87Å; Y72-W103 HydrophobicContact CE1-CZ3 3.87Å
73E92.6Very high89Confident91 Ų9188.1 Ų88.143%0.42543%0.432SS..G310 helixtrans-45.7-43.4174.3-179.7-176.5-11300113.2D69 L75 L76 E77D69-E73 WeakPolarHBondContact O-CB 3.5Å; D69-E73 PolarHBondContact O-N 3.34Å; E73-L75 PolarHBondContact O-N 3.22Å; E73-L76 PolarHBondContact O-N 3.45Å; E73-E77 HydrophobicContact CG-CB 4.42Å; E73-E77 PolarHBondContact O-N 3.36Å
74P91.7Very high89.1Confident13 Ų1386.3 Ų86.38%0.08443%0.427CS..G310 helixtrans-63.7-15.2179.4-21.633.6000115.4Y72 H79 F82Y72-P74 VanDerWaalsContact C-N 3.28Å; P74-H79 HydrophobicContact CB-CB 3.9Å; P74-F82 HydrophobicContact CB-CB 3.86Å; P74-F82 HydrophobicContact CB-CD2 3.65Å; P74-F82 HydrophobicContact CB-CE2 4.43Å; P74-F82 HydrophobicContact CB-CG 3.91Å; P74-F82 HydrophobicContact CG-CD2 4.15Å
75L92.8Very high89.3Confident12 Ų1282.8 Ų82.86%0.06341%0.411CS..G310 helixtrans-87.8-16.1173.9-69.7173.4000112.8Y72 E73 T85 I86 I87 W103Y72-L75 HydrophobicContact CD1-CD1 3.9Å; Y72-L75 WeakPolarHBondContact O-CB 3.42Å; Y72-L75 PolarHBondContact O-N 2.88Å; E73-L75 PolarHBondContact O-N 3.22Å; L75-T85 WeakPolarHBondContact CD2-O 3.05Å; L75-I86 CarbonylContact O-C 3.59Å; L75-I86 WeakPolarHBondContact O-CA 3.4Å; L75-I87 HydrophobicContact CB-CD1 4.31Å; L75-I87 HydrophobicContact CD2-CD1 4.44Å; L75-I87 PolarHBondContact O-N 3.33Å; L75-W103 HydrophobicContact CD1-CD2 3.96Å; L75-W103 HydrophobicContact CD1-CE3 3.99Å; L75-W103 HydrophobicContact CD1-CG 4.38Å; L75-W103 HydrophobicContact CD1-CZ3 4.33Å; L75-W103 HydrophobicContact CD2-CB 3.55Å; L75-W103 HydrophobicContact CD2-CD2 3.97Å; L75-W103 HydrophobicContact CD2-CG 3.49Å; L75-W103 VanDerWaalsContact CD2-CG 3.49Å; L75-W103 HydrophobicContact CG-CB 4.46Å; L75-W103 HydrophobicContact CG-CD2 3.94Å; L75-W103 HydrophobicContact CG-CE3 4.47Å; L75-W103 HydrophobicContact CG-CG 3.89Å
76L90.8Very high89.6Confident122 Ų12284 Ų8464%0.63942%0.417SS*.THydrogen-bonded Turntrans-112-29.9-173.2-59.5179.3000112.1E73E73-L76 PolarHBondContact O-N 3.45Å
77E88.2Confident89.9Confident123 Ų12380.5 Ų80.558%0.57540%0.398SS*.SBendtrans-124.4162.9-176.7-60.2-167.2179.100111.6E73 H79E73-E77 HydrophobicContact CG-CB 4.42Å; E73-E77 PolarHBondContact O-N 3.36Å; E77-H79 PolarHBondContact O-N 2.97Å; E77-H79 VanDerWaalsContact O-N 3.13Å
78K80.2Confident90Very high173 Ų17378.3 Ų78.375%0.75239%0.392SS*.  trans-65.7116.3179.2-171.9-177.1176.5-173.10110.2I86K78-I86 HydrophobicContact CB-CD1 4.28Å; K78-I86 HydrophobicContact CG-CD1 4.49Å
79H84.4Confident90.1Very high61 Ų6182.9 Ų82.928%0.28243%0.427SS..  trans-127131174.5-171.5-62.1000109.5P74 E77 D81 F82 H83P74-H79 HydrophobicContact CB-CB 3.9Å; E77-H79 PolarHBondContact O-N 2.97Å; E77-H79 VanDerWaalsContact O-N 3.13Å; H79-D81 IonicContact CE1-OD2 3.61Å; H79-D81 PolarHBondContact ND1-N 2.89Å; H79-D81 PolarHBondContact O-N 3.41Å; H79-F82 HydrophobicContact CB-CB 4.25Å; H79-F82 AromaticContact CE1-CD2 3.69Å; H79-F82 AromaticContact CG-CD2 3.91Å; H79-F82 AromaticContact ND1-CD2 3.48Å; H79-F82 WeakPolarHBondContact ND1-CD2 3.5Å; H79-F82 CarbonylContact O-C 3.59Å; H79-F82 PolarHBondContact O-N 3.46Å; H79-H83 WeakPolarHBondContact O-CA 3.45Å; H79-H83 PolarHBondContact O-N 2.95Å
80D83.7Confident90.3Very high131 Ų13183 Ų8370%0.70143%0.428SS*.G310 helixtrans-58.3-46.4-171-69.2-25.6000112.2F82 H83D80-F82 VanDerWaalsContact C-N 3.29Å; D80-F82 PolarHBondContact O-N 3.5Å; D80-H83 PolarHBondContact O-ND1 3.26Å
81D84.8Confident90.6Very high105 Ų10579.3 Ų79.356%0.56141%0.405SS*.G310 helixtrans-70-19.2178.6-60.5-26.9000114.9H79H79-D81 IonicContact CE1-OD2 3.61Å; H79-D81 PolarHBondContact ND1-N 2.89Å; H79-D81 PolarHBondContact O-N 3.41Å
82F89.3Confident90.9Very high16 Ų1679.9 Ų79.97%0.0741%0.412CS..G310 helixtrans-128.617.2-167-65.2-76.4000113.5P74 H79 D80 D84 T85 W103 Q106P74-F82 HydrophobicContact CB-CB 3.86Å; P74-F82 HydrophobicContact CB-CD2 3.65Å; P74-F82 HydrophobicContact CB-CE2 4.43Å; P74-F82 HydrophobicContact CB-CG 3.91Å; P74-F82 HydrophobicContact CG-CD2 4.15Å; H79-F82 HydrophobicContact CB-CB 4.25Å; H79-F82 AromaticContact CE1-CD2 3.69Å; H79-F82 AromaticContact CG-CD2 3.91Å; H79-F82 AromaticContact ND1-CD2 3.48Å; H79-F82 WeakPolarHBondContact ND1-CD2 3.5Å; H79-F82 CarbonylContact O-C 3.59Å; H79-F82 PolarHBondContact O-N 3.46Å; D80-F82 VanDerWaalsContact C-N 3.29Å; D80-F82 PolarHBondContact O-N 3.5Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 3.42Å; F82-D84 VanDerWaalsContact O-N 3.15Å; F82-T85 WeakPolarHBondContact O-CA 3.49Å; F82-T85 WeakPolarHBondContact O-CB 3.27Å; F82-T85 PolarHBondContact O-N 3.42Å; F82-T85 PolarHBondContact O-OG1 2.91Å; F82-W103 AromaticContact CD1-CD1 3.4Å; F82-W103 HydrophobicContact CD1-CG 4.28Å; F82-W103 AromaticContact CE1-CD1 3.7Å; F82-W103 HydrophobicContact CE1-CG 4.45Å; F82-W103 AromaticContact CG-CD1 3.93Å; F82-Q106 HydrophobicContact CD1-CB 4.02Å; F82-Q106 HydrophobicContact CE1-CB 3.49Å; F82-Q106 VanDerWaalsContact CE1-CB 3.49Å; F82-Q106 HydrophobicContact CZ-CB 4.45Å
83H87.2Confident91.2Very high104 Ų10482.8 Ų82.848%0.48143%0.427SS..G310 helixtrans-55.6-36.2-171.661.7-84.9000114.4H79 D80 T85 I86H79-H83 WeakPolarHBondContact O-CA 3.45Å; H79-H83 PolarHBondContact O-N 2.95Å; D80-H83 PolarHBondContact O-ND1 3.26Å; H83-T85 PolarHBondContact O-N 3.31Å; H83-I86 WeakPolarHBondContact O-CD1 3.39Å; H83-I86 WeakPolarHBondContact O-CG1 3.37Å
84D89.4Confident91.4Very high111 Ų11185.6 Ų85.659%0.59444%0.439SS*.G310 helixtrans-73.4-5.2178-69.9-29.3000113.9F82F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 3.42Å; F82-D84 VanDerWaalsContact O-N 3.15Å
85T94.6Very high91.7Very high0 Ų089.2 Ų89.20%045%0.454CS..G310 helixtrans-106.6-1.9-174.875.90000113.9L75 F82 H83 I87 T102 W103L75-T85 WeakPolarHBondContact CD2-O 3.05Å; F82-T85 WeakPolarHBondContact O-CA 3.49Å; F82-T85 WeakPolarHBondContact O-CB 3.27Å; F82-T85 PolarHBondContact O-N 3.42Å; F82-T85 PolarHBondContact O-OG1 2.91Å; H83-T85 PolarHBondContact O-N 3.31Å; T85-I87 PolarHBondContact O-N 3.38Å; T85-T102 HydrophobicContact CG2-CG2 3.76Å; T85-W103 HydrophobicContact CG2-CB 3.94Å
86I95.1Very high91.8Very high35 Ų3591.4 Ų91.418%0.17947%0.466CS..PPolyproline II helixtrans-62.8121.8-179.8-57.7167.3000109.8L75 K78 H83 K99L75-I86 CarbonylContact O-C 3.59Å; L75-I86 WeakPolarHBondContact O-CA 3.4Å; K78-I86 HydrophobicContact CB-CD1 4.28Å; K78-I86 HydrophobicContact CG-CD1 4.49Å; H83-I86 WeakPolarHBondContact O-CD1 3.39Å; H83-I86 WeakPolarHBondContact O-CG1 3.37Å; I86-K99 VanDerWaalsContact O-CD 3.3Å; I86-K99 WeakPolarHBondContact O-CD 3.49Å; I86-K99 VanDerWaalsContact O-CE 3.32Å; I86-K99 WeakPolarHBondContact O-CE 3.38Å; I86-K99 PolarHBondContact O-NZ 2.86Å
87I95.3Very high92.1Very high48 Ų4888.3 Ų88.325%0.24645%0.45CS..PPolyproline II helixtrans-82.3122.2178.6-64.4167.9000109.3L75 T85 D91 I96L75-I87 HydrophobicContact CB-CD1 4.31Å; L75-I87 HydrophobicContact CD2-CD1 4.44Å; L75-I87 PolarHBondContact O-N 3.33Å; T85-I87 PolarHBondContact O-N 3.38Å; I87-D91 WeakPolarHBondContact CA-OD2 3.04Å; I87-I96 HydrophobicContact CD1-CG2 4.13Å; I87-I96 HydrophobicContact CG2-CD1 4.41Å; I87-I96 HydrophobicContact CG2-CG1 3.99Å
88N94Very high92.5Very high78 Ų7885.3 Ų85.342%0.41744%0.44SS..PPolyproline II helixtrans-99.8155.4176-57.5-64.4000111.1N90 D91 K99N88-N90 WeakPolarHBondContact CB-OD1 3.25Å; N88-N90 PolarHBondContact O-N 3.23Å; N88-N90 VanDerWaalsContact O-N 3.14Å; N88-D91 PolarHBondContact N-OD2 3.14Å; N88-D91 WeakPolarHBondContact O-CB 3.48Å; N88-D91 PolarHBondContact O-N 3.28Å; N88-D91 VanDerWaalsContact O-N 3.08Å; N88-K99 PolarHBondContact ND2-NZ 2.87Å
89S93.8Very high93.2Very high136 Ų13678.8 Ų78.895%0.95141%0.411SS*.THydrogen-bonded Turntrans-63.6-19.1179.856.30000114.5
90N95.9Very high93.7Very high131 Ų13179.6 Ų79.670%0.70142%0.416SS*.THydrogen-bonded Turntrans-99.8-0.6177.666.4-26.7000113.7N88 S92N88-N90 WeakPolarHBondContact CB-OD1 3.25Å; N88-N90 PolarHBondContact O-N 3.23Å; N88-N90 VanDerWaalsContact O-N 3.14Å; N90-S92 PolarHBondContact O-N 2.68Å
91D96.3Very high94.3Very high22 Ų2277.9 Ų77.912%0.11841%0.407CS..  trans-63.4133.4176.4-71.9-18.8000109.8I87 N88 E95 I96 K99I87-D91 WeakPolarHBondContact CA-OD2 3.04Å; N88-D91 PolarHBondContact N-OD2 3.14Å; N88-D91 WeakPolarHBondContact O-CB 3.48Å; N88-D91 PolarHBondContact O-N 3.28Å; N88-D91 VanDerWaalsContact O-N 3.08Å; D91-E95 HydrophobicContact CB-CB 3.99Å; D91-I96 HydrophobicContact CB-CD1 4.33Å; D91-I96 HydrophobicContact CB-CG1 3.65Å; D91-K99 IonicContact OD1-NZ 2.69Å; D91-K99 PolarHBondContact OD1-NZ 2.89Å; D91-K99 WeakPolarHBondContact OD2-CD 3.36Å; D91-K99 IonicContact OD2-NZ 3.19Å; D91-K99 PolarHBondContact OD2-NZ 3.29Å
92S97.7Very high94.7Very high55 Ų5574.4 Ų74.439%0.38539%0.389SS..  trans-65.1161167.166.10000111N90 F94 E95 I96N90-S92 PolarHBondContact O-N 2.68Å; S92-F94 PolarHBondContact O-N 3.27Å; S92-F94 VanDerWaalsContact O-N 3.14Å; S92-E95 VanDerWaalsContact CB-OE2 3.31Å; S92-E95 WeakPolarHBondContact CB-OE2 3.44Å; S92-E95 PolarHBondContact N-OE2 3.17Å; S92-E95 PolarHBondContact O-N 3.34Å; S92-E95 WeakPolarHBondContact OG-CG 3.43Å; S92-E95 PolarHBondContact OG-N 2.87Å; S92-E95 PolarHBondContact OG-OE2 3.07Å; S92-I96 WeakPolarHBondContact O-CG1 3.35Å; S92-I96 PolarHBondContact O-N 3.41Å
93F97Very high95Very high171 Ų17174 Ų7475%0.7539%0.387SS*.Hα-helixtrans-53.5-36.7173.9176.7-102.5000112.9N97F93-N97 WeakPolarHBondContact O-CB 3.2Å; F93-N97 PolarHBondContact O-N 3.44Å
94F97.7Very high95.4Very high151 Ų15173 Ų7366%0.66239%0.385SS*.Hα-helixtrans-65.6-42.6177.7179.6-95.7000112.3S92 N97 T98S92-F94 PolarHBondContact O-N 3.27Å; S92-F94 VanDerWaalsContact O-N 3.14Å; F94-N97 PolarHBondContact O-N 2.87Å; F94-T98 WeakPolarHBondContact O-CB 3.16Å; F94-T98 PolarHBondContact O-N 2.94Å; F94-T98 PolarHBondContact O-OG1 2.9Å
95E97Very high95.6Very high89 Ų8974.7 Ų74.742%0.41638%0.383SS..Hα-helixtrans-66.3-46.1176.9-73.2160.7137.300111.2D91 S92 N97 T98 K99D91-E95 HydrophobicContact CB-CB 3.99Å; S92-E95 VanDerWaalsContact CB-OE2 3.31Å; S92-E95 WeakPolarHBondContact CB-OE2 3.44Å; S92-E95 PolarHBondContact N-OE2 3.17Å; S92-E95 PolarHBondContact O-N 3.34Å; S92-E95 WeakPolarHBondContact OG-CG 3.43Å; S92-E95 PolarHBondContact OG-N 2.87Å; S92-E95 PolarHBondContact OG-OE2 3.07Å; E95-N97 VanDerWaalsContact C-N 3.31Å; E95-N97 PolarHBondContact O-N 2.84Å; E95-T98 PolarHBondContact O-N 3.36Å; E95-K99 WeakPolarHBondContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 3.43Å
96I96.3Very high95.5Very high58 Ų5877 Ų7730%0.29739%0.394SS..Hα-helixtrans-55.1-48.6175.2-65.4173.3000110.5I87 D91 S92 T98 K99 M100I87-I96 HydrophobicContact CD1-CG2 4.13Å; I87-I96 HydrophobicContact CG2-CD1 4.41Å; I87-I96 HydrophobicContact CG2-CG1 3.99Å; D91-I96 HydrophobicContact CB-CD1 4.33Å; D91-I96 HydrophobicContact CB-CG1 3.65Å; S92-I96 WeakPolarHBondContact O-CG1 3.35Å; S92-I96 PolarHBondContact O-N 3.41Å; I96-T98 PolarHBondContact O-N 3.3Å; I96-K99 PolarHBondContact O-N 3.28Å; I96-M100 WeakPolarHBondContact O-CB 3.46Å; I96-M100 PolarHBondContact O-N 2.76Å
97N96Very high95.4Very high57 Ų5779 Ų7931%0.30540%0.401SS..Hα-helixtrans-64-42.1-179.6-172.558.6000112F93 F94 E95 M100 L101F93-N97 WeakPolarHBondContact O-CB 3.2Å; F93-N97 PolarHBondContact O-N 3.44Å; F94-N97 PolarHBondContact O-N 2.87Å; E95-N97 VanDerWaalsContact C-N 3.31Å; E95-N97 PolarHBondContact O-N 2.84Å; N97-M100 PolarHBondContact O-N 3.42Å; N97-L101 WeakPolarHBondContact O-CB 3.12Å; N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.25Å; N97-L101 PolarHBondContact O-N 3.29Å
98T96.4Very high95.2Very high60 Ų6083 Ų8337%0.36842%0.419SS..Hα-helixtrans-64-42.9178.7-58.70000111.9F94 E95 I96 T102F94-T98 WeakPolarHBondContact O-CB 3.16Å; F94-T98 PolarHBondContact O-N 2.94Å; F94-T98 PolarHBondContact O-OG1 2.9Å; E95-T98 PolarHBondContact O-N 3.36Å; I96-T98 PolarHBondContact O-N 3.3Å; T98-T102 WeakPolarHBondContact O-CB 3.48Å; T98-T102 PolarHBondContact O-N 3.24Å; T98-T102 PolarHBondContact O-OG1 3.32Å
99K96.2Very high95.2Very high36 Ų3683.4 Ų83.416%0.15742%0.421CS..Hα-helixtrans-63.1-46.5175.6-74.3177.3174.9-179.90111.7I86 N88 D91 E95 I96 L101 T102 W103I86-K99 VanDerWaalsContact O-CD 3.3Å; I86-K99 WeakPolarHBondContact O-CD 3.49Å; I86-K99 VanDerWaalsContact O-CE 3.32Å; I86-K99 WeakPolarHBondContact O-CE 3.38Å; I86-K99 PolarHBondContact O-NZ 2.86Å; N88-K99 PolarHBondContact ND2-NZ 2.87Å; D91-K99 IonicContact OD1-NZ 2.69Å; D91-K99 PolarHBondContact OD1-NZ 2.89Å; D91-K99 WeakPolarHBondContact OD2-CD 3.36Å; D91-K99 IonicContact OD2-NZ 3.19Å; D91-K99 PolarHBondContact OD2-NZ 3.29Å; E95-K99 WeakPolarHBondContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 3.43Å; I96-K99 PolarHBondContact O-N 3.28Å; K99-L101 PolarHBondContact O-N 3.11Å; K99-T102 WeakPolarHBondContact O-CB 3.35Å; K99-T102 PolarHBondContact O-N 2.96Å; K99-W103 WeakPolarHBondContact O-CB 3.35Å; K99-W103 PolarHBondContact O-N 3.49Å
100M94.6Very high95.1Very high77 Ų7780.2 Ų80.238%0.37939%0.393SS..Hα-helixtrans-61.4-44177.6-175.7178.863.100112.4I96 N97 T102 W103 L104I96-M100 WeakPolarHBondContact O-CB 3.46Å; I96-M100 PolarHBondContact O-N 2.76Å; N97-M100 PolarHBondContact O-N 3.42Å; M100-T102 VanDerWaalsContact C-N 3.33Å; M100-T102 PolarHBondContact O-N 2.7Å; M100-W103 PolarHBondContact O-N 2.98Å; M100-L104 HydrophobicContact CG-CD1 4.37Å; M100-L104 WeakPolarHBondContact O-CB 3.41Å; M100-L104 WeakPolarHBondContact O-CG 3.35Å; M100-L104 PolarHBondContact O-N 3.46Å
101L95.1Very high94.8Very high96 Ų9678.1 Ų78.150%0.50338%0.379SS..Hα-helixtrans-63.9-39175.8-71.5173.6000112N97 K99 L104 R105N97-L101 WeakPolarHBondContact O-CB 3.12Å; N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.25Å; N97-L101 PolarHBondContact O-N 3.29Å; K99-L101 PolarHBondContact O-N 3.11Å; L101-L104 PolarHBondContact O-N 2.84Å; L101-R105 WeakPolarHBondContact O-CB 3.45Å; L101-R105 PolarHBondContact O-N 3.46Å
102T95Very high94.7Very high31 Ų3183.8 Ų83.819%0.1941%0.408CS..Hα-helixtrans-64.3-46176.4-61.30000111.4T85 T98 K99 M100 R105 Q106T85-T102 HydrophobicContact CG2-CG2 3.76Å; T98-T102 WeakPolarHBondContact O-CB 3.48Å; T98-T102 PolarHBondContact O-N 3.24Å; T98-T102 PolarHBondContact O-OG1 3.32Å; K99-T102 WeakPolarHBondContact O-CB 3.35Å; K99-T102 PolarHBondContact O-N 2.96Å; M100-T102 VanDerWaalsContact C-N 3.33Å; M100-T102 PolarHBondContact O-N 2.7Å; T102-R105 PolarHBondContact O-N 3.05Å; T102-Q106 WeakPolarHBondContact O-CG 3.34Å; T102-Q106 PolarHBondContact O-N 2.73Å
103W95.5Very high94.6Very high8 Ų885.2 Ų85.23%0.0343%0.431CS..Hα-helixtrans-60.6-46.5175.3173.783.9000112.1I71 Y72 L75 F82 T85 K99 M100 R105 Q106 K107I71-W103 HydrophobicContact CG2-CH2 4.32Å; I71-W103 HydrophobicContact CG2-CZ2 4.4Å; I71-W103 WeakPolarHBondContact O-CZ2 3.44Å; Y72-W103 AromaticContact CD1-CH2 3.64Å; Y72-W103 HydrophobicContact CD1-CH2 3.64Å; Y72-W103 HydrophobicContact CD1-CZ2 4.13Å; Y72-W103 HydrophobicContact CD1-CZ3 4.16Å; Y72-W103 AromaticContact CE1-CH2 3.55Å; Y72-W103 HydrophobicContact CE1-CH2 3.55Å; Y72-W103 HydrophobicContact CE1-CZ2 4.46Å; Y72-W103 AromaticContact CE1-CZ3 3.87Å; Y72-W103 HydrophobicContact CE1-CZ3 3.87Å; L75-W103 HydrophobicContact CD1-CD2 3.96Å; L75-W103 HydrophobicContact CD1-CE3 3.99Å; L75-W103 HydrophobicContact CD1-CG 4.38Å; L75-W103 HydrophobicContact CD1-CZ3 4.33Å; L75-W103 HydrophobicContact CD2-CB 3.55Å; L75-W103 HydrophobicContact CD2-CD2 3.97Å; L75-W103 HydrophobicContact CD2-CG 3.49Å; L75-W103 VanDerWaalsContact CD2-CG 3.49Å; L75-W103 HydrophobicContact CG-CB 4.46Å; L75-W103 HydrophobicContact CG-CD2 3.94Å; L75-W103 HydrophobicContact CG-CE3 4.47Å; L75-W103 HydrophobicContact CG-CG 3.89Å; F82-W103 AromaticContact CD1-CD1 3.4Å; F82-W103 HydrophobicContact CD1-CG 4.28Å; F82-W103 AromaticContact CE1-CD1 3.7Å; F82-W103 HydrophobicContact CE1-CG 4.45Å; F82-W103 AromaticContact CG-CD1 3.93Å; T85-W103 HydrophobicContact CG2-CB 3.94Å; K99-W103 WeakPolarHBondContact O-CB 3.35Å; K99-W103 PolarHBondContact O-N 3.49Å; M100-W103 PolarHBondContact O-N 2.98Å; W103-R105 VanDerWaalsContact C-N 3.34Å; W103-R105 PolarHBondContact O-N 3.48Å; W103-Q106 PolarHBondContact O-N 3.45Å; W103-K107 HydrophobicContact CH2-CD 3.94Å; W103-K107 HydrophobicContact CZ2-CD 3.84Å; W103-K107 VanDerWaalsContact O-CB 3.31Å; W103-K107 WeakPolarHBondContact O-CB 3.13Å; W103-K107 PolarHBondContact O-N 3.32Å
104L93.8Very high94.4Very high83 Ų8382.7 Ų82.744%0.43542%0.42SS..Hα-helixtrans-58.5-45.4176.6-77.3172000111.7M100 L101 K107 Q108M100-L104 HydrophobicContact CG-CD1 4.37Å; M100-L104 WeakPolarHBondContact O-CB 3.41Å; M100-L104 WeakPolarHBondContact O-CG 3.35Å; M100-L104 PolarHBondContact O-N 3.46Å; L101-L104 PolarHBondContact O-N 2.84Å; L104-K107 PolarHBondContact O-N 3.15Å; L104-Q108 WeakPolarHBondContact O-CB 3.13Å; L104-Q108 PolarHBondContact O-N 3.25Å
105R94.3Very high94.2Very high147 Ų14781.3 Ų81.356%0.55543%0.426SS*.Hα-helixtrans-61.4-48.3176.6180-174.564.8-169.1-1.9111.8L101 T102 W103 Q108 N109L101-R105 WeakPolarHBondContact O-CB 3.45Å; L101-R105 PolarHBondContact O-N 3.46Å; T102-R105 PolarHBondContact O-N 3.05Å; W103-R105 VanDerWaalsContact C-N 3.34Å; W103-R105 PolarHBondContact O-N 3.48Å; R105-Q108 PolarHBondContact O-N 3.01Å; R105-N109 WeakPolarHBondContact O-CB 3.36Å; R105-N109 VanDerWaalsContact O-CG 3.27Å; R105-N109 PolarHBondContact O-N 2.84Å; R105-N109 PolarHBondContact O-OD1 2.71Å
106Q93.4Very high93.9Very high48 Ų4883.2 Ų83.222%0.22443%0.433CS..Hα-helixtrans-61.6-44.8178.3-77.6171.1-22.700111.1F82 T102 W103 Q108 N109 N110F82-Q106 HydrophobicContact CD1-CB 4.02Å; F82-Q106 HydrophobicContact CE1-CB 3.49Å; F82-Q106 VanDerWaalsContact CE1-CB 3.49Å; F82-Q106 HydrophobicContact CZ-CB 4.45Å; T102-Q106 WeakPolarHBondContact O-CG 3.34Å; T102-Q106 PolarHBondContact O-N 2.73Å; W103-Q106 PolarHBondContact O-N 3.45Å; Q106-Q108 VanDerWaalsContact C-N 3.31Å; Q106-Q108 PolarHBondContact O-N 3.21Å; Q106-N109 PolarHBondContact O-N 2.83Å; Q106-N110 WeakPolarHBondContact O-CB 3.47Å; Q106-N110 PolarHBondContact O-N 2.85Å; Q106-N110 PolarHBondContact O-OD1 3.02Å
107K91.7Very high93.7Very high76 Ų7684.2 Ų84.233%0.3344%0.439SS..Hα-helixtrans-59.1-40.1176-174.6-179.9178-177.50112.5W103 L104 Q111W103-K107 HydrophobicContact CH2-CD 3.94Å; W103-K107 HydrophobicContact CZ2-CD 3.84Å; W103-K107 VanDerWaalsContact O-CB 3.31Å; W103-K107 WeakPolarHBondContact O-CB 3.13Å; W103-K107 PolarHBondContact O-N 3.32Å; L104-K107 PolarHBondContact O-N 3.15Å; K107-Q111 PolarHBondContact O-NE2 3.36Å
108Q91.3Very high93.7Very high134 Ų13483.4 Ų83.463%0.62643%0.432SS*.Hα-helixtrans-69.6-44.3176.4-172.762.619.400111.9L104 R105 Q106 N110 Q111L104-Q108 WeakPolarHBondContact O-CB 3.13Å; L104-Q108 PolarHBondContact O-N 3.25Å; R105-Q108 PolarHBondContact O-N 3.01Å; Q106-Q108 VanDerWaalsContact C-N 3.31Å; Q106-Q108 PolarHBondContact O-N 3.21Å; Q108-N110 PolarHBondContact O-N 3.23Å; Q108-Q111 VanDerWaalsContact O-CB 3.28Å; Q108-Q111 WeakPolarHBondContact O-CB 3.16Å; Q108-Q111 PolarHBondContact O-N 2.7Å
109N93.7Very high93.5Very high86 Ų8686.4 Ų86.446%0.4644%0.441SS..Hα-helixtrans-61.4-35.9175.9-71.6-6.5000111.6R105 Q106 Q111 I112R105-N109 WeakPolarHBondContact O-CB 3.36Å; R105-N109 VanDerWaalsContact O-CG 3.27Å; R105-N109 PolarHBondContact O-N 2.84Å; R105-N109 PolarHBondContact O-OD1 2.71Å; Q106-N109 PolarHBondContact O-N 2.83Å; N109-Q111 PolarHBondContact O-N 2.99Å; N109-Q111 VanDerWaalsContact O-N 3.08Å; N109-I112 VanDerWaalsContact O-CB 3.31Å; N109-I112 WeakPolarHBondContact O-CB 3.43Å; N109-I112 VanDerWaalsContact O-CG1 3.27Å; N109-I112 WeakPolarHBondContact O-CG1 3.48Å; N109-I112 PolarHBondContact O-N 3.43Å
110N91.5Very high93.3Very high69 Ų6988.1 Ų88.137%0.36945%0.452SS..THydrogen-bonded Turntrans-67.5-3.2175.2-70.8-3.8000113.6Q106 Q108 K114Q106-N110 WeakPolarHBondContact O-CB 3.47Å; Q106-N110 PolarHBondContact O-N 2.85Å; Q106-N110 PolarHBondContact O-OD1 3.02Å; Q108-N110 PolarHBondContact O-N 3.23Å; N110-K114 VanDerWaalsContact O-CD 3.29Å; N110-K114 WeakPolarHBondContact O-CD 3.45Å; N110-K114 WeakPolarHBondContact O-CE 3.43Å; N110-K114 PolarHBondContact O-NZ 2.96Å
111Q91Very high93.3Very high87 Ų8784.7 Ų84.741%0.40744%0.435SS..THydrogen-bonded Turntrans-84.9-16.5168.8-56.2-53.7-42.700112.8K107 Q108 N109 G113 K114K107-Q111 PolarHBondContact O-NE2 3.36Å; Q108-Q111 VanDerWaalsContact O-CB 3.28Å; Q108-Q111 WeakPolarHBondContact O-CB 3.16Å; Q108-Q111 PolarHBondContact O-N 2.7Å; N109-Q111 PolarHBondContact O-N 2.99Å; N109-Q111 VanDerWaalsContact O-N 3.08Å; Q111-G113 PolarHBondContact O-N 3.24Å; Q111-K114 WeakPolarHBondContact O-CB 3.47Å; Q111-K114 PolarHBondContact O-N 3.41Å
112I94.2Very high93Very high141 Ų14182.7 Ų82.772%0.72344%0.437SS*.THydrogen-bonded Turntrans-60.6125.7177.8-62.2170.6000108.8N109 K114N109-I112 VanDerWaalsContact O-CB 3.31Å; N109-I112 WeakPolarHBondContact O-CB 3.43Å; N109-I112 VanDerWaalsContact O-CG1 3.27Å; N109-I112 WeakPolarHBondContact O-CG1 3.48Å; N109-I112 PolarHBondContact O-N 3.43Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 3.25Å
113G94.3Very high92.7Very high84 Ų8482.7 Ų82.787%0.86644%0.444SS*.THydrogen-bonded Turntrans83.4-3.9-177.900000115.3Q111Q111-G113 PolarHBondContact O-N 3.24Å
114K93.1Very high92.6Very high119 Ų11984.4 Ų84.452%0.51746%0.457SS..SBendtrans-86.3154.1171.3-66-176.1179.31560110.9N110 Q111 I112N110-K114 VanDerWaalsContact O-CD 3.29Å; N110-K114 WeakPolarHBondContact O-CD 3.45Å; N110-K114 WeakPolarHBondContact O-CE 3.43Å; N110-K114 PolarHBondContact O-NZ 2.96Å; Q111-K114 WeakPolarHBondContact O-CB 3.47Å; Q111-K114 PolarHBondContact O-N 3.41Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 3.25Å
115P93.3Very high92.6Very high122 Ų12280.8 Ų80.879%0.79244%0.439SS*.PPolyproline II helixtrans-56.1141171.9-23.534000111.6D117P115-D117 PolarHBondContact O-N 2.99Å
116F91.9Very high92.6Very high129 Ų12976.1 Ų76.157%0.56643%0.426SS*.PPolyproline II helixtrans-73.3124.1176.2-178.8-106.1000110.7R118 S135 K136F116-R118 HydrophobicContact CD1-CG 3.89Å; F116-R118 HydrophobicContact CE1-CG 3.88Å; F116-S135 VanDerWaalsContact CE1-O 3.28Å; F116-S135 WeakPolarHBondContact CE1-O 3.44Å; F116-K136 HydrophobicContact CE1-CG 3.72Å; F116-K136 HydrophobicContact CZ-CD 4.43Å; F116-K136 HydrophobicContact CZ-CG 3.54Å
117D92.2Very high92.7Very high78 Ų7877 Ų7742%0.41743%0.432SS..  trans-92.8109.6178-174.79.7000111.5P115 H119 D120P115-D117 PolarHBondContact O-N 2.99Å; D117-H119 VanDerWaalsContact C-N 3.28Å; D117-H119 PolarHBondContact O-N 2.92Å; D117-H119 WeakPolarHBondContact OD1-CB 3.47Å; D117-H119 IonicContact OD1-CG 3.72Å; D117-H119 PolarHBondContact OD1-N 3.15Å; D117-H119 IonicContact OD1-ND1 3.68Å; D117-D120 HydrophobicContact CB-CB 4.44Å
118R94.2Very high92.9Very high40 Ų4077.8 Ų77.815%0.15144%0.443CS..THydrogen-bonded Turntrans-74.6-15.4175.7-64.1177.752.4-153.8-6.6113.5Q54 I56 F116 K136 S185Q54-R118 PolarHBondContact O-NH2 2.96Å; I56-R118 HydrophobicContact CD1-CB 3.59Å; F116-R118 HydrophobicContact CD1-CG 3.89Å; F116-R118 HydrophobicContact CE1-CG 3.88Å; R118-K136 HydrophobicContact CB-CB 4.31Å; R118-K136 PolarHBondContact NE-O 3.12Å; R118-K136 PolarHBondContact NH2-O 2.97Å; R118-K136 VanDerWaalsContact NH2-O 3.09Å; R118-S185 PolarHBondContact NH2-O 2.98Å
119H93.7Very high93.1Very high124 Ų12475.9 Ų75.957%0.57444%0.437SS*.THydrogen-bonded Turntrans-93.9-5.7-178.7-59.590000113.5D117 F121D117-H119 VanDerWaalsContact C-N 3.28Å; D117-H119 PolarHBondContact O-N 2.92Å; D117-H119 WeakPolarHBondContact OD1-CB 3.47Å; D117-H119 IonicContact OD1-CG 3.72Å; D117-H119 PolarHBondContact OD1-N 3.15Å; D117-H119 IonicContact OD1-ND1 3.68Å; H119-F121 PolarHBondContact O-N 2.92Å
120D91.7Very high93.3Very high71 Ų7172.1 Ų72.138%0.3842%0.417SS..  trans-59.2124.4176.4163.239.4000110.4D117 G122 K136D117-D120 HydrophobicContact CB-CB 4.44Å; D120-G122 PolarHBondContact O-N 3.13Å; D120-G122 PolarHBondContact OD1-N 3.22Å; D120-K136 PolarHBondContact O-NZ 2.83Å; D120-K136 IonicContact OD2-NZ 3.68Å; D120-K136 PolarHBondContact OD2-NZ 3.22Å
121F93.5Very high93.6Very high6 Ų671.4 Ų71.43%0.02641%0.409CS..  trans-61-30.9-177.5-162.2-88.2000112.5P62 H119 G123 W131 V140 P142P62-F121 HydrophobicContact CB-CB 3.77Å; P62-F121 HydrophobicContact CB-CD2 4.32Å; P62-F121 HydrophobicContact CB-CG 4.07Å; P62-F121 HydrophobicContact CG-CB 4.32Å; P62-F121 HydrophobicContact CG-CG 4.27Å; H119-F121 PolarHBondContact O-N 2.92Å; F121-G123 VanDerWaalsContact CD1-O 3.25Å; F121-G123 WeakPolarHBondContact CD1-O 3.38Å; F121-G123 PolarHBondContact O-N 3.29Å; F121-G123 VanDerWaalsContact O-N 3.14Å; F121-W131 HydrophobicContact CD1-CZ2 4.25Å; F121-W131 HydrophobicContact CE1-CH2 4.19Å; F121-W131 HydrophobicContact CE1-CZ2 4.21Å; F121-W131 VanDerWaalsContact O-CZ2 3.28Å; F121-W131 WeakPolarHBondContact O-CZ2 3.22Å; F121-V140 HydrophobicContact CD1-CG1 3.9Å; F121-V140 HydrophobicContact CD2-CG1 3.86Å; F121-V140 HydrophobicContact CE1-CG1 3.65Å; F121-V140 HydrophobicContact CE2-CG1 3.59Å; F121-V140 HydrophobicContact CG-CG1 4.01Å; F121-V140 HydrophobicContact CZ-CG1 3.47Å; F121-V140 VanDerWaalsContact CZ-CG1 3.47Å; F121-P142 HydrophobicContact CE1-CG 4.29Å; F121-P142 HydrophobicContact CZ-CG 4.39Å
122G89.5Confident93.9Very high53 Ų5368.4 Ų68.455%0.54640%0.395SS..  trans71.32.7172.100000116.7D120D120-G122 PolarHBondContact O-N 3.13Å; D120-G122 PolarHBondContact OD1-N 3.22Å
123G89.3Confident94.1Very high31 Ų3162.7 Ų62.732%0.3237%0.368SS..SBendtrans-161.4177.8-176.600000114.4F121F121-G123 VanDerWaalsContact CD1-O 3.25Å; F121-G123 WeakPolarHBondContact CD1-O 3.38Å; F121-G123 PolarHBondContact O-N 3.29Å; F121-G123 VanDerWaalsContact O-N 3.14Å
124S92.5Very high94.1Very high44 Ų4460.5 Ų60.531%0.30834%0.339SS..  trans-87.3137.4177.3-178.70000110.8V126 I127S124-V126 PolarHBondContact O-N 2.9Å; S124-V126 WeakPolarHBondContact OG-CG2 3.37Å; S124-I127 WeakPolarHBondContact O-CG1 3.36Å; S124-I127 PolarHBondContact O-N 2.84Å
125P93.8Very high94.1Very high8 Ų857.5 Ų57.55%0.05233%0.333CS..THydrogen-bonded Turntrans-66.9-7.8179.229.1-37.3000113.8V6 G60 I65 A143 G144V6-P125 HydrophobicContact CG2-CB 4.17Å; V6-P125 HydrophobicContact CG2-CG 4.34Å; G60-P125 WeakPolarHBondContact O-CB 3.4Å; I65-P125 HydrophobicContact CD1-CG 4.33Å; P125-A143 CarbonylContact O-C 3.55Å; P125-A143 PolarHBondContact O-N 3.33Å; P125-A143 VanDerWaalsContact O-N 3.15Å; P125-G144 PolarHBondContact O-N 2.56Å
126V94.8Very high94.3Very high48 Ų4852.8 Ų52.829%0.29130%0.3SS..THydrogen-bonded Turntrans-86.2-10.2179.5-450000113.7F5 S124F5-V126 HydrophobicContact CB-CB 4.45Å; F5-V126 HydrophobicContact CB-CG1 3.5Å; F5-V126 VanDerWaalsContact CB-CG1 3.5Å; F5-V126 HydrophobicContact CD1-CB 4.36Å; F5-V126 HydrophobicContact CD1-CG1 4.07Å; F5-V126 HydrophobicContact CD2-CB 4.4Å; F5-V126 HydrophobicContact CD2-CG1 4.3Å; F5-V126 HydrophobicContact CG-CB 4.16Å; F5-V126 HydrophobicContact CG-CG1 3.71Å; S124-V126 PolarHBondContact O-N 2.9Å; S124-V126 WeakPolarHBondContact OG-CG2 3.37Å
127I95.3Very high94.5Very high68 Ų6846.7 Ų46.735%0.34927%0.273SS..  trans-70133.2-174.4-65.2172.9000109.1S124 N129 W131 P142 G144 I145S124-I127 WeakPolarHBondContact O-CG1 3.36Å; S124-I127 PolarHBondContact O-N 2.84Å; I127-N129 VanDerWaalsContact C-N 3.32Å; I127-N129 HydrophobicContact CG2-CB 3.55Å; I127-N129 PolarHBondContact O-N 3.02Å; I127-W131 HydrophobicContact CG2-CZ3 4.46Å; I127-P142 HydrophobicContact CB-CG 4.48Å; I127-P142 VanDerWaalsContact O-CB 3.31Å; I127-P142 WeakPolarHBondContact O-CB 3.45Å; I127-G144 CarbonylContact O-C 3.55Å; I127-G144 WeakPolarHBondContact O-CA 3.32Å; I127-I145 PolarHBondContact O-N 2.69Å
128V95.9Very high94.8Very high92 Ų9243 Ų4356%0.55825%0.253SS*.SBendtrans-90.177.1170-170.30000107.5F150V128-F150 HydrophobicContact CG1-CE2 4.43Å
129N95.8Very high95Very high94 Ų9441 Ų4150%0.50325%0.246SC..  trans-161.1174.4176.2-152.8-0.3000108.8I127 P142 I145I127-N129 VanDerWaalsContact C-N 3.32Å; I127-N129 HydrophobicContact CG2-CB 3.55Å; I127-N129 PolarHBondContact O-N 3.02Å; N129-P142 VanDerWaalsContact O-CD 3.26Å; N129-P142 WeakPolarHBondContact O-CD 3.25Å; N129-I145 WeakPolarHBondContact O-CG2 3.2Å
130A97.7Very high95.2Very high6 Ų635.2 Ų35.25%0.0522%0.219CC..  trans-133.4168.1164.200000108.7V140 F141 I145 V167 E171A130-V140 WeakPolarHBondContact CA-O 3.41Å; A130-F141 HydrophobicContact CB-CD1 3.63Å; A130-F141 HydrophobicContact CB-CE1 3.83Å; A130-I145 HydrophobicContact CB-CD1 4.35Å; A130-V167 HydrophobicContact CB-CG1 3.83Å; A130-E171 HydrophobicContact CB-CG 3.82Å; A130-E171 WeakPolarHBondContact CB-OE1 3.42Å
131W97.6Very high95.5Very high54 Ų5431.9 Ų31.921%0.20520%0.201CC..EExtended strand (participates in β ladder)trans-158151.7174.656.490.2000113.2F121 I127 I139 V140 P142 E171F121-W131 HydrophobicContact CD1-CZ2 4.25Å; F121-W131 HydrophobicContact CE1-CH2 4.19Å; F121-W131 HydrophobicContact CE1-CZ2 4.21Å; F121-W131 VanDerWaalsContact O-CZ2 3.28Å; F121-W131 WeakPolarHBondContact O-CZ2 3.22Å; I127-W131 HydrophobicContact CG2-CZ3 4.46Å; W131-I139 WeakPolarHBondContact O-CA 3.5Å; W131-V140 HydrophobicContact CD2-CB 4.13Å; W131-V140 HydrophobicContact CG-CB 4.39Å; W131-V140 HydrophobicContact CH2-CG1 4.13Å; W131-V140 HydrophobicContact CZ2-CB 3.87Å; W131-V140 HydrophobicContact CZ2-CG1 3.49Å; W131-V140 VanDerWaalsContact CZ2-CG1 3.49Å; W131-V140 HydrophobicContact CZ2-CG2 4.46Å; W131-V140 PolarHBondContact N-O 3.08Å; W131-V140 PolarHBondContact O-N 3.41Å; W131-P142 HydrophobicContact CE3-CG 4.35Å; W131-P142 HydrophobicContact CH2-CG 3.37Å; W131-P142 HydrophobicContact CZ2-CG 4.43Å; W131-P142 HydrophobicContact CZ3-CG 3.33Å; W131-E171 WeakPolarHBondContact CA-OE2 3.34Å
132Y98.2Very high95.6Very high24 Ų2431.6 Ų31.69%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-101.3137.9162.1175.3-110.7000110.8K51 M55 P134 N137 S138 I139 E171 H174 G175K51-Y132 WeakPolarHBondContact CE-OH 3.45Å; M55-Y132 HydrophobicContact CE-CE2 4.14Å; Y132-P134 HydrophobicContact CD1-CG 3.9Å; Y132-P134 VanDerWaalsContact CE1-CA 3.44Å; Y132-P134 HydrophobicContact CE1-CB 3.83Å; Y132-P134 HydrophobicContact CE1-CG 3.65Å; Y132-N137 PolarHBondContact OH-OD1 2.94Å; Y132-S138 CarbonylContact C-O 3.6Å; Y132-S138 WeakPolarHBondContact CA-O 3.21Å; Y132-S138 WeakPolarHBondContact CD2-O 3.35Å; Y132-I139 HydrophobicContact CD2-CG2 3.8Å; Y132-E171 PolarHBondContact N-OE2 3.21Å; Y132-H174 HydrophobicContact CD1-CB 3.67Å; Y132-H174 WeakPolarHBondContact CE1-O 3.38Å; Y132-H174 HydrophobicContact CG-CB 3.8Å; Y132-G175 WeakPolarHBondContact OH-CA 3.33Å
133A97.1Very high95.9Very high21 Ų2129.3 Ų29.317%0.17418%0.176CC..EExtended strand (participates in β ladder)trans-113.5106172.700000110S135 K136 N137 S138A133-S135 PolarHBondContact O-N 2.98Å; A133-K136 HydrophobicContact CB-CB 4.02Å; A133-K136 HydrophobicContact CB-CD 4.11Å; A133-K136 HydrophobicContact CB-CG 4.17Å; A133-K136 CarbonylContact O-C 3.51Å; A133-K136 PolarHBondContact O-N 3.21Å; A133-N137 PolarHBondContact O-N 3.43Å; A133-S138 PolarHBondContact N-O 3.01Å; A133-S138 PolarHBondContact O-N 3.34Å
134P95.4Very high96.2Very high38 Ų3827.8 Ų27.825%0.24716%0.161CC..G310 helixtrans-57.8-43.8-176-24.330.7000113.9Y132 K136 N137 Y183 G187Y132-P134 HydrophobicContact CD1-CG 3.9Å; Y132-P134 VanDerWaalsContact CE1-CA 3.44Å; Y132-P134 HydrophobicContact CE1-CB 3.83Å; Y132-P134 HydrophobicContact CE1-CG 3.65Å; P134-K136 PolarHBondContact O-N 2.88Å; P134-N137 PolarHBondContact O-N 3.19Å; P134-N137 VanDerWaalsContact O-N 3.08Å; P134-Y183 HydrophobicContact CB-CD1 3.98Å; P134-Y183 HydrophobicContact CB-CD2 3.46Å; P134-Y183 VanDerWaalsContact CB-CD2 3.46Å; P134-Y183 HydrophobicContact CB-CE1 4.09Å; P134-Y183 HydrophobicContact CB-CE2 3.58Å; P134-Y183 HydrophobicContact CB-CG 3.67Å; P134-Y183 HydrophobicContact CG-CD2 4.49Å; P134-Y183 HydrophobicContact CG-CE2 4.36Å; P134-G187 WeakPolarHBondContact O-CA 3.48Å
135S93.8Very high96.4Very high56 Ų5626 Ų2639%0.39215%0.148SC..G310 helixtrans-67.9-18.8179.656.60000114.2F116 A133 G187F116-S135 VanDerWaalsContact CE1-O 3.28Å; F116-S135 WeakPolarHBondContact CE1-O 3.44Å; A133-S135 PolarHBondContact O-N 2.98Å; S135-G187 WeakPolarHBondContact CA-O 3.41Å
136K96.1Very high96.5Very high24 Ų2426.1 Ų26.110%0.10415%0.148CC..G310 helixtrans-97.4-16.6173.9-62-178.1172.4175.30112.3F116 R118 D120 A133 P134 S138F116-K136 HydrophobicContact CE1-CG 3.72Å; F116-K136 HydrophobicContact CZ-CD 4.43Å; F116-K136 HydrophobicContact CZ-CG 3.54Å; R118-K136 HydrophobicContact CB-CB 4.31Å; R118-K136 PolarHBondContact NE-O 3.12Å; R118-K136 PolarHBondContact NH2-O 2.97Å; R118-K136 VanDerWaalsContact NH2-O 3.09Å; D120-K136 PolarHBondContact O-NZ 2.83Å; D120-K136 IonicContact OD2-NZ 3.68Å; D120-K136 PolarHBondContact OD2-NZ 3.22Å; A133-K136 HydrophobicContact CB-CB 4.02Å; A133-K136 HydrophobicContact CB-CD 4.11Å; A133-K136 HydrophobicContact CB-CG 4.17Å; A133-K136 CarbonylContact O-C 3.51Å; A133-K136 PolarHBondContact O-N 3.21Å; P134-K136 PolarHBondContact O-N 2.88Å; K136-S138 PolarHBondContact O-N 3.26Å
137N97.5Very high96.4Very high0 Ų026.2 Ų26.20%015%0.145CC..THydrogen-bonded Turntrans42.657-160.1-172.931.3000110.1K51 M55 I56 Y132 A133 P134 S185K51-N137 PolarHBondContact O-ND2 3.37Å; M55-N137 CarbonylContact C-O 3.52Å; M55-N137 VanDerWaalsContact CA-O 3.28Å; M55-N137 WeakPolarHBondContact CA-O 3.49Å; M55-N137 PolarHBondContact N-ND2 3.07Å; I56-N137 PolarHBondContact N-O 3.47Å; Y132-N137 PolarHBondContact OH-OD1 2.94Å; A133-N137 PolarHBondContact O-N 3.43Å; P134-N137 PolarHBondContact O-N 3.19Å; P134-N137 VanDerWaalsContact O-N 3.08Å; N137-S185 PolarHBondContact ND2-O 2.85Å
138S97.9Very high96.4Very high0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans-134.7138-171.9178.60000111.9I56 Y132 A133 K136I56-S138 CarbonylContact O-C 3.48Å; I56-S138 WeakPolarHBondContact O-CA 3.36Å; I56-S138 PolarHBondContact O-OG 2.73Å; Y132-S138 CarbonylContact C-O 3.6Å; Y132-S138 WeakPolarHBondContact CA-O 3.21Å; Y132-S138 WeakPolarHBondContact CD2-O 3.35Å; A133-S138 PolarHBondContact N-O 3.01Å; A133-S138 PolarHBondContact O-N 3.34Å; K136-S138 PolarHBondContact O-N 3.26Å
139I98.2Very high96.3Very high0 Ų025.8 Ų25.80%015%0.148CC..EExtended strand (participates in β ladder)trans-109.313517359-179.7000109.8V23 M55 I56 S57 S58 W131 Y132 F141 E171 I172V23-I139 HydrophobicContact CG1-CD1 4.02Å; M55-I139 HydrophobicContact CG-CG1 4.49Å; M55-I139 HydrophobicContact CG-CG2 4.34Å; M55-I139 HydrophobicContact SD-CD1 3.98Å; M55-I139 HydrophobicContact SD-CG1 4.32Å; M55-I139 HydrophobicContact SD-CG2 3.75Å; I56-I139 PolarHBondContact O-N 2.62Å; S57-I139 WeakPolarHBondContact CA-O 3.33Å; S58-I139 PolarHBondContact N-O 3.49Å; W131-I139 WeakPolarHBondContact O-CA 3.5Å; Y132-I139 HydrophobicContact CD2-CG2 3.8Å; I139-F141 HydrophobicContact CB-CE2 3.92Å; I139-F141 HydrophobicContact CB-CZ 4.14Å; I139-F141 HydrophobicContact CD1-CE2 3.74Å; I139-F141 HydrophobicContact CD1-CZ 4.12Å; I139-F141 HydrophobicContact CG1-CE2 3.77Å; I139-F141 HydrophobicContact CG1-CZ 4.35Å; I139-E171 HydrophobicContact CB-CB 4.05Å; I139-E171 HydrophobicContact CG2-CB 3.67Å; I139-E171 WeakPolarHBondContact CG2-O 3.42Å; I139-I172 HydrophobicContact CD1-CD1 4.44Å; I139-I172 HydrophobicContact CD1-CG1 3.77Å
140V97.9Very high96.4Very high2 Ų222.8 Ų22.81%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-128.9129.8-174.9-1740000111S58 F121 A130 W131S58-V140 WeakPolarHBondContact O-CA 3.28Å; F121-V140 HydrophobicContact CD1-CG1 3.9Å; F121-V140 HydrophobicContact CD2-CG1 3.86Å; F121-V140 HydrophobicContact CE1-CG1 3.65Å; F121-V140 HydrophobicContact CE2-CG1 3.59Å; F121-V140 HydrophobicContact CG-CG1 4.01Å; F121-V140 HydrophobicContact CZ-CG1 3.47Å; F121-V140 VanDerWaalsContact CZ-CG1 3.47Å; A130-V140 WeakPolarHBondContact CA-O 3.41Å; W131-V140 HydrophobicContact CD2-CB 4.13Å; W131-V140 HydrophobicContact CG-CB 4.39Å; W131-V140 HydrophobicContact CH2-CG1 4.13Å; W131-V140 HydrophobicContact CZ2-CB 3.87Å; W131-V140 HydrophobicContact CZ2-CG1 3.49Å; W131-V140 VanDerWaalsContact CZ2-CG1 3.49Å; W131-V140 HydrophobicContact CZ2-CG2 4.46Å; W131-V140 PolarHBondContact N-O 3.08Å; W131-V140 PolarHBondContact O-N 3.41Å
141F97.5Very high96.3Very high0 Ų022.9 Ų22.90%013%0.13CC..EExtended strand (participates in β ladder)trans-124.591.1179.7-55.1-82.9000110.3V23 S58 I59 G60 A130 I139 I145 L146 V167 I168 E171V23-F141 HydrophobicContact CG2-CE2 4.23Å; S58-F141 PolarHBondContact O-N 2.92Å; I59-F141 HydrophobicContact CD1-CB 4.33Å; I59-F141 HydrophobicContact CD1-CD2 3.55Å; I59-F141 HydrophobicContact CD1-CE2 4.36Å; I59-F141 HydrophobicContact CD1-CG 4.37Å; G60-F141 WeakPolarHBondContact CA-O 3.45Å; G60-F141 PolarHBondContact N-O 3.39Å; A130-F141 HydrophobicContact CB-CD1 3.63Å; A130-F141 HydrophobicContact CB-CE1 3.83Å; I139-F141 HydrophobicContact CB-CE2 3.92Å; I139-F141 HydrophobicContact CB-CZ 4.14Å; I139-F141 HydrophobicContact CD1-CE2 3.74Å; I139-F141 HydrophobicContact CD1-CZ 4.12Å; I139-F141 HydrophobicContact CG1-CE2 3.77Å; I139-F141 HydrophobicContact CG1-CZ 4.35Å; F141-I145 HydrophobicContact CB-CG2 4.46Å; F141-L146 HydrophobicContact CB-CD1 4.47Å; F141-L146 HydrophobicContact CB-CD2 4.3Å; F141-V167 HydrophobicContact CE1-CG1 4.27Å; F141-I168 HydrophobicContact CD1-CG1 4.05Å; F141-I168 HydrophobicContact CD2-CG1 4.47Å; F141-I168 HydrophobicContact CE1-CB 4.11Å; F141-I168 HydrophobicContact CE1-CG1 3.57Å; F141-I168 HydrophobicContact CE2-CG1 4.02Å; F141-I168 HydrophobicContact CE2-CG2 4.45Å; F141-I168 HydrophobicContact CG-CG1 4.49Å; F141-I168 HydrophobicContact CZ-CB 3.87Å; F141-I168 HydrophobicContact CZ-CG1 3.56Å; F141-I168 HydrophobicContact CZ-CG2 4.05Å; F141-E171 HydrophobicContact CE1-CB 4.18Å; F141-E171 HydrophobicContact CE1-CG 3.57Å; F141-E171 HydrophobicContact CZ-CB 3.85Å; F141-E171 HydrophobicContact CZ-CG 3.77Å
142P96.2Very high96.1Very high0 Ų022.9 Ų22.90%013%0.134CC..EExtended strand (participates in β ladder)trans-51.7148.6173.4-27.734.7000114.7F121 I127 N129 W131 G144 I145 L146F121-P142 HydrophobicContact CE1-CG 4.29Å; F121-P142 HydrophobicContact CZ-CG 4.39Å; I127-P142 HydrophobicContact CB-CG 4.48Å; I127-P142 VanDerWaalsContact O-CB 3.31Å; I127-P142 WeakPolarHBondContact O-CB 3.45Å; N129-P142 VanDerWaalsContact O-CD 3.26Å; N129-P142 WeakPolarHBondContact O-CD 3.25Å; W131-P142 HydrophobicContact CE3-CG 4.35Å; W131-P142 HydrophobicContact CH2-CG 3.37Å; W131-P142 HydrophobicContact CZ2-CG 4.43Å; W131-P142 HydrophobicContact CZ3-CG 3.33Å; P142-G144 PolarHBondContact O-N 3.48Å; P142-I145 WeakPolarHBondContact O-CG2 3.44Å; P142-I145 PolarHBondContact O-N 3.27Å; P142-L146 PolarHBondContact O-N 3.16Å
143A95.4Very high95.8Very high5 Ų526.3 Ų26.34%0.04115%0.15CC..THydrogen-bonded Turntrans-56.8-23.3172.700000112.7F5 V6 F11 G60 P125 L146F5-A143 HydrophobicContact CD1-CB 4.49Å; F5-A143 HydrophobicContact CE1-CB 4.16Å; V6-A143 HydrophobicContact CG2-CB 4.13Å; F11-A143 HydrophobicContact CB-CB 4.35Å; F11-A143 HydrophobicContact CD1-CB 4.26Å; F11-A143 HydrophobicContact CD2-CB 4.42Å; F11-A143 HydrophobicContact CG-CB 4.07Å; G60-A143 WeakPolarHBondContact O-CB 3.26Å; G60-A143 PolarHBondContact O-N 2.66Å; P125-A143 CarbonylContact O-C 3.55Å; P125-A143 PolarHBondContact O-N 3.33Å; P125-A143 VanDerWaalsContact O-N 3.15Å; A143-L146 PolarHBondContact O-N 2.95Å
144G95.4Very high95.5Very high0 Ų030.7 Ų30.70%017%0.174CC..THydrogen-bonded Turntrans-64.4-34.3174.600000114.4P125 I127 P142 Q147P125-G144 PolarHBondContact O-N 2.56Å; I127-G144 CarbonylContact O-C 3.55Å; I127-G144 WeakPolarHBondContact O-CA 3.32Å; P142-G144 PolarHBondContact O-N 3.48Å; G144-Q147 PolarHBondContact O-NE2 3.03Å
145I96.1Very high95.4Very high7 Ų730.7 Ų30.74%0.03618%0.175CC..THydrogen-bonded Turntrans-85.3-24.2175.3-161.8164.9000112.4I127 N129 A130 F141 P142 Q147 F150 I164 V167I127-I145 PolarHBondContact O-N 2.69Å; N129-I145 WeakPolarHBondContact O-CG2 3.2Å; A130-I145 HydrophobicContact CB-CD1 4.35Å; F141-I145 HydrophobicContact CB-CG2 4.46Å; P142-I145 WeakPolarHBondContact O-CG2 3.44Å; P142-I145 PolarHBondContact O-N 3.27Å; I145-Q147 PolarHBondContact O-N 3.26Å; I145-F150 HydrophobicContact CD1-CE1 4.46Å; I145-F150 HydrophobicContact CD1-CZ 4.47Å; I145-F150 HydrophobicContact CG1-CD1 4.34Å; I145-F150 HydrophobicContact CG1-CD2 3.81Å; I145-F150 HydrophobicContact CG1-CE2 4.05Å; I145-F150 HydrophobicContact CG1-CG 3.97Å; I145-F150 HydrophobicContact CG1-CZ 4.41Å; I145-F150 WeakPolarHBondContact O-CB 3.37Å; I145-I164 HydrophobicContact CG2-CD1 4.34Å; I145-V167 HydrophobicContact CD1-CG1 4.04Å
146L95.9Very high95.5Very high10 Ų1029.2 Ų29.25%0.05216%0.164CC..SBendtrans-79.657-177.5-56.6176.6000112.7F11 V19 I59 F141 P142 A143 I164F11-L146 HydrophobicContact CD2-CB 4.3Å; F11-L146 HydrophobicContact CE1-CD1 4.4Å; F11-L146 HydrophobicContact CE2-CB 3.62Å; F11-L146 HydrophobicContact CE2-CD1 3.58Å; F11-L146 HydrophobicContact CE2-CG 4.25Å; F11-L146 HydrophobicContact CZ-CB 4.35Å; F11-L146 HydrophobicContact CZ-CD1 3.4Å; V19-L146 HydrophobicContact CG1-CD1 4.37Å; V19-L146 HydrophobicContact CG1-CD2 4.01Å; V19-L146 HydrophobicContact CG2-CD1 4.33Å; V19-L146 HydrophobicContact CG2-CD2 3.99Å; I59-L146 HydrophobicContact CG2-CD1 3.74Å; F141-L146 HydrophobicContact CB-CD1 4.47Å; F141-L146 HydrophobicContact CB-CD2 4.3Å; P142-L146 PolarHBondContact O-N 3.16Å; A143-L146 PolarHBondContact O-N 2.95Å; L146-I164 HydrophobicContact CD2-CD1 3.67Å; L146-I164 HydrophobicContact CD2-CG1 3.8Å
147Q93.5Very high95.5Very high50 Ų5029.4 Ų29.423%0.23417%0.17CC..SBendtrans-145.8166.1176.163.5-176.1-32.600109.7G144 I145 F150 Y151G144-Q147 PolarHBondContact O-NE2 3.03Å; I145-Q147 PolarHBondContact O-N 3.26Å; Q147-F150 WeakPolarHBondContact O-CA 3.07Å; Q147-F150 WeakPolarHBondContact O-CB 2.97Å; Q147-F150 PolarHBondContact O-N 2.75Å; Q147-Y151 CarbonylContact C-O 3.6Å; Q147-Y151 WeakPolarHBondContact CA-O 3.38Å; Q147-Y151 PolarHBondContact O-N 3.02Å; Q147-Y151 VanDerWaalsContact O-N 3.12Å
148P94.7Very high95.5Very high87 Ų8729.4 Ų29.457%0.56517%0.17SC*.THydrogen-bonded Turntrans-55.6142.5174.7-25.633.4000112Y151 D152P148-Y151 VanDerWaalsContact CD-O 3.28Å; P148-Y151 WeakPolarHBondContact CD-O 3.45Å; P148-Y151 VanDerWaalsContact N-O 3.12Å; P148-D152 HydrophobicContact CG-CB 4.19Å
149P95.4Very high95.5Very high63 Ų6330.5 Ų30.541%0.40918%0.177SC..THydrogen-bonded Turncis-86.33.3636.5-37.2000114.5S163 F299P149-S163 WeakPolarHBondContact O-CB 3.31Å; P149-S163 PolarHBondContact O-OG 3.29Å; P149-S163 VanDerWaalsContact O-OG 3.13Å; P149-F299 HydrophobicContact CG-CB 4.29Å
150F97Very high95.5Very high31 Ų3131 Ų3114%0.13618%0.18CC..THydrogen-bonded Turntrans-76-49.7-176.2-64.5-78.2000112.5V128 I145 Q147 S163 I164 V167 F299V128-F150 HydrophobicContact CG1-CE2 4.43Å; I145-F150 HydrophobicContact CD1-CE1 4.46Å; I145-F150 HydrophobicContact CD1-CZ 4.47Å; I145-F150 HydrophobicContact CG1-CD1 4.34Å; I145-F150 HydrophobicContact CG1-CD2 3.81Å; I145-F150 HydrophobicContact CG1-CE2 4.05Å; I145-F150 HydrophobicContact CG1-CG 3.97Å; I145-F150 HydrophobicContact CG1-CZ 4.41Å; I145-F150 WeakPolarHBondContact O-CB 3.37Å; Q147-F150 WeakPolarHBondContact O-CA 3.07Å; Q147-F150 WeakPolarHBondContact O-CB 2.97Å; Q147-F150 PolarHBondContact O-N 2.75Å; F150-S163 WeakPolarHBondContact O-CB 3.35Å; F150-I164 HydrophobicContact CB-CB 4.18Å; F150-I164 HydrophobicContact CB-CD1 4.32Å; F150-I164 WeakPolarHBondContact O-CB 3.45Å; F150-I164 VanDerWaalsContact O-CG2 3.31Å; F150-I164 WeakPolarHBondContact O-CG2 3.44Å; F150-I164 PolarHBondContact O-N 3.49Å; F150-V167 HydrophobicContact CD1-CG2 3.95Å; F150-V167 HydrophobicContact CE1-CG2 3.99Å; F150-F299 HydrophobicContact CD1-CG 4.38Å; F150-F299 HydrophobicContact CE1-CB 3.93Å; F150-F299 HydrophobicContact CE1-CD1 4.39Å; F150-F299 AromaticContact CE1-CD2 3.6Å; F150-F299 HydrophobicContact CE1-CD2 3.6Å; F150-F299 HydrophobicContact CE1-CE2 4.11Å; F150-F299 AromaticContact CE1-CG 3.76Å; F150-F299 HydrophobicContact CE1-CG 3.76Å; F150-F299 HydrophobicContact CZ-CB 4.22Å; F150-F299 HydrophobicContact CZ-CD2 4.18Å; F150-F299 HydrophobicContact CZ-CG 4.42Å
151Y96Very high95.5Very high9 Ų931.2 Ų31.24%0.03518%0.181CC..  trans-142.3133.7-175.8174.8-100.5000111.7D18 V19 M22 Q147 P148 I164D18-Y151 WeakPolarHBondContact CB-OH 3.39Å; D18-Y151 WeakPolarHBondContact OD2-CE2 3.39Å; D18-Y151 PolarHBondContact OD2-OH 3.31Å; V19-Y151 HydrophobicContact CG2-CD1 4.42Å; V19-Y151 HydrophobicContact CG2-CD2 4.1Å; V19-Y151 HydrophobicContact CG2-CE1 4.31Å; V19-Y151 HydrophobicContact CG2-CE2 3.98Å; V19-Y151 HydrophobicContact CG2-CG 4.31Å; M22-Y151 HydrophobicContact SD-CD2 4.35Å; M22-Y151 HydrophobicContact SD-CE2 4.36Å; Q147-Y151 CarbonylContact C-O 3.6Å; Q147-Y151 WeakPolarHBondContact CA-O 3.38Å; Q147-Y151 PolarHBondContact O-N 3.02Å; Q147-Y151 VanDerWaalsContact O-N 3.12Å; P148-Y151 VanDerWaalsContact CD-O 3.28Å; P148-Y151 WeakPolarHBondContact CD-O 3.45Å; P148-Y151 VanDerWaalsContact N-O 3.12Å; Y151-I164 HydrophobicContact CD2-CG2 4.03Å; Y151-I164 HydrophobicContact CG-CG2 4.42Å
152D93.2Very high95.5Very high53 Ų5331.2 Ų31.228%0.28318%0.181SC..  trans-146128.3165.1-177.1-3.6000108.9P148 T154 S155 N160P148-D152 HydrophobicContact CG-CB 4.19Å; D152-T154 PolarHBondContact O-N 2.87Å; D152-T154 VanDerWaalsContact O-N 3.09Å; D152-T154 PolarHBondContact OD1-N 3.32Å; D152-T154 PolarHBondContact OD1-OG1 3.43Å; D152-T154 PolarHBondContact OD2-OG1 3.24Å; D152-T154 VanDerWaalsContact OD2-OG1 3.1Å; D152-S155 WeakPolarHBondContact CB-OG 3.36Å; D152-S155 WeakPolarHBondContact O-CB 3.35Å; D152-S155 PolarHBondContact O-N 3.38Å; D152-N160 PolarHBondContact N-OD1 3.19Å; D152-N160 VanDerWaalsContact N-OD1 3.09Å; D152-N160 PolarHBondContact O-ND2 2.99Å; D152-N160 PolarHBondContact O-OD1 3.29Å
153K91.1Very high95.6Very high97 Ų9731.4 Ų31.442%0.42218%0.182SC..THydrogen-bonded Turntrans-60.9-20.7178.967.6-177.6177.6-1790113.5D12 E14D12-K153 IonicContact OD2-NZ 3.41Å; D12-K153 PolarHBondContact OD2-NZ 2.83Å; E14-K153 IonicContact OE2-NZ 3.53Å; E14-K153 PolarHBondContact OE2-NZ 3.49Å
154T91.5Very high95.8Very high113 Ų11331.1 Ų31.169%0.69318%0.18SC*.THydrogen-bonded Turntrans-93.8-6.5176.261.80000114.3D152D152-T154 PolarHBondContact O-N 2.87Å; D152-T154 VanDerWaalsContact O-N 3.09Å; D152-T154 PolarHBondContact OD1-N 3.32Å; D152-T154 PolarHBondContact OD1-OG1 3.43Å; D152-T154 PolarHBondContact OD2-OG1 3.24Å; D152-T154 VanDerWaalsContact OD2-OG1 3.1Å
155S93.9Very high95.9Very high38 Ų3831.1 Ų31.127%0.26618%0.18SC..SBendtrans-78147.4178.8-79.30000112D152D152-S155 WeakPolarHBondContact CB-OG 3.36Å; D152-S155 WeakPolarHBondContact O-CB 3.35Å; D152-S155 PolarHBondContact O-N 3.38Å
156P95.4Very high96Very high24 Ų2431 Ų3116%0.15618%0.179CC..  trans-57.3151.7173.6-25.334.7000112.3A158 V159 N160 L280 M288P156-A158 PolarHBondContact O-N 2.86Å; P156-A158 VanDerWaalsContact O-N 3.12Å; P156-V159 WeakPolarHBondContact O-CB 3.38Å; P156-V159 PolarHBondContact O-N 3.42Å; P156-N160 PolarHBondContact O-N 2.92Å; P156-L280 HydrophobicContact CG-CD2 3.59Å; P156-L280 HydrophobicContact CG-CG 4.19Å; P156-M288 HydrophobicContact CB-CE 3.74Å; P156-M288 HydrophobicContact CG-CE 4.22Å
157A96.2Very high96.2Very high29 Ų2931.2 Ų31.224%0.2418%0.181CC..Hα-helixtrans-53.1-38.2179.100000112.7V159 N160 F161 Y268 L271 T272A157-V159 VanDerWaalsContact C-N 3.26Å; A157-V159 PolarHBondContact O-N 2.92Å; A157-N160 PolarHBondContact O-N 3.4Å; A157-F161 HydrophobicContact CB-CD2 4.26Å; A157-F161 WeakPolarHBondContact O-CB 3.28Å; A157-F161 VanDerWaalsContact O-CD2 3.32Å; A157-F161 WeakPolarHBondContact O-CD2 3.47Å; A157-F161 PolarHBondContact O-N 3.45Å; A157-Y268 HydrophobicContact CB-CD2 4.19Å; A157-Y268 HydrophobicContact CB-CE2 4.5Å; A157-L271 HydrophobicContact CB-CD2 4.08Å; A157-T272 HydrophobicContact CB-CG2 4.1Å
158A97.5Very high96.4Very high0 Ų028.9 Ų28.90%017%0.17CC..Hα-helixtrans-56.9-38.5176.500000113P156 G162 Y268 M288 I291 F292P156-A158 PolarHBondContact O-N 2.86Å; P156-A158 VanDerWaalsContact O-N 3.12Å; A158-G162 WeakPolarHBondContact O-CA 3.43Å; A158-G162 PolarHBondContact O-N 3.28Å; A158-Y268 HydrophobicContact CB-CD2 4.47Å; A158-Y268 HydrophobicContact CB-CE2 3.76Å; A158-M288 HydrophobicContact CB-CB 4.2Å; A158-M288 HydrophobicContact CB-CE 3.72Å; A158-M288 VanDerWaalsContact CB-O 3.28Å; A158-M288 WeakPolarHBondContact CB-O 3.28Å; A158-I291 HydrophobicContact CB-CB 4.39Å; A158-I291 HydrophobicContact CB-CG2 4.17Å; A158-F292 HydrophobicContact CB-CB 4.28Å; A158-F292 WeakPolarHBondContact O-CA 3.21Å
159V97.4Very high96.6Very high23 Ų2324.7 Ų24.714%0.13914%0.143CC..Hα-helixtrans-72.5-51.8179.1178.90000110.4P156 A157 F161 G162 S163 L280 I291 S295P156-V159 WeakPolarHBondContact O-CB 3.38Å; P156-V159 PolarHBondContact O-N 3.42Å; A157-V159 VanDerWaalsContact C-N 3.26Å; A157-V159 PolarHBondContact O-N 2.92Å; V159-F161 PolarHBondContact O-N 2.91Å; V159-G162 PolarHBondContact O-N 2.89Å; V159-S163 WeakPolarHBondContact O-CB 3.47Å; V159-S163 PolarHBondContact O-N 3.46Å; V159-S163 PolarHBondContact O-OG 3.03Å; V159-L280 HydrophobicContact CG2-CD1 4.04Å; V159-I291 HydrophobicContact CG2-CG2 3.73Å; V159-S295 WeakPolarHBondContact CA-OG 3.43Å
160N97.4Very high96.8Very high10 Ų1022.5 Ų22.55%0.05313%0.127CC..Hα-helixtrans-62.9-43.8-178.9-77-17.5000111.9M22 D152 P156 A157 S163 I164 G165M22-N160 HydrophobicContact CE-CB 4.19Å; D152-N160 PolarHBondContact N-OD1 3.19Å; D152-N160 VanDerWaalsContact N-OD1 3.09Å; D152-N160 PolarHBondContact O-ND2 2.99Å; D152-N160 PolarHBondContact O-OD1 3.29Å; P156-N160 PolarHBondContact O-N 2.92Å; A157-N160 PolarHBondContact O-N 3.4Å; N160-S163 CarbonylContact O-C 3.55Å; N160-S163 PolarHBondContact O-N 2.84Å; N160-I164 HydrophobicContact CB-CG2 4.5Å; N160-I164 VanDerWaalsContact O-CG2 3.26Å; N160-I164 WeakPolarHBondContact O-CG2 3.09Å; N160-I164 PolarHBondContact O-N 3.01Å; N160-G165 PolarHBondContact O-N 3.01Å
161F98.3Very high96.9Very high7 Ų721.5 Ų21.53%0.03112%0.123CC..Iπ-helixtrans-71.6-37.4176.2-79.2-94.1000111.6M22 L26 A157 V159 S163 G165 S166 S264 A267 Y268 L271 F292M22-F161 HydrophobicContact CE-CD1 4.25Å; M22-F161 HydrophobicContact CE-CD2 3.98Å; M22-F161 HydrophobicContact CE-CE1 4.22Å; M22-F161 HydrophobicContact CE-CE2 3.96Å; M22-F161 HydrophobicContact CE-CG 4.14Å; M22-F161 HydrophobicContact CE-CZ 4.09Å; M22-F161 HydrophobicContact CG-CE2 4.49Å; M22-F161 HydrophobicContact CG-CZ 4.24Å; L26-F161 HydrophobicContact CD1-CE1 4.44Å; A157-F161 HydrophobicContact CB-CD2 4.26Å; A157-F161 WeakPolarHBondContact O-CB 3.28Å; A157-F161 VanDerWaalsContact O-CD2 3.32Å; A157-F161 WeakPolarHBondContact O-CD2 3.47Å; A157-F161 PolarHBondContact O-N 3.45Å; V159-F161 PolarHBondContact O-N 2.91Å; F161-S163 PolarHBondContact O-N 2.87Å; F161-G165 CarbonylContact O-C 3.58Å; F161-G165 WeakPolarHBondContact O-CA 3.36Å; F161-S166 PolarHBondContact O-N 3.37Å; F161-S166 PolarHBondContact O-OG 2.91Å; F161-S264 VanDerWaalsContact C-OG 3.27Å; F161-S264 PolarHBondContact O-OG 3.34Å; F161-A267 HydrophobicContact CD1-CB 3.98Å; F161-A267 HydrophobicContact CE1-CB 3.56Å; F161-Y268 HydrophobicContact CB-CG 4.44Å; F161-L271 HydrophobicContact CD2-CD2 4.31Å; F161-L271 HydrophobicContact CE2-CD2 3.4Å; F161-L271 VanDerWaalsContact CE2-CD2 3.4Å; F161-L271 HydrophobicContact CZ-CD2 3.89Å; F161-F292 VanDerWaalsContact C-CE2 3.47Å; F161-F292 HydrophobicContact CB-CD2 4.15Å; F161-F292 HydrophobicContact CB-CE2 3.91Å
162G98.4Very high97Very high0 Ų021 Ų210%012%0.121CC..Iπ-helixtrans-60.1-35.3174.400000112.6A158 V159 S166 F292 F296A158-G162 WeakPolarHBondContact O-CA 3.43Å; A158-G162 PolarHBondContact O-N 3.28Å; V159-G162 PolarHBondContact O-N 2.89Å; G162-S166 WeakPolarHBondContact O-CB 3.22Å; G162-S166 PolarHBondContact O-OG 3.13Å; G162-F292 WeakPolarHBondContact CA-O 3.33Å; G162-F296 VanDerWaalsContact O-CA 3.22Å; G162-F296 WeakPolarHBondContact O-CA 3.38Å; G162-F296 WeakPolarHBondContact O-CB 3.31Å; G162-F296 PolarHBondContact O-N 3.14Å
163S98.4Very high97.2Very high3 Ų318.5 Ų18.52%0.02111%0.108CC..Iπ-helixtrans-98-92.4179.2-52.80000113.4P149 F150 V159 N160 F161 G165 S166 V167 S295P149-S163 WeakPolarHBondContact O-CB 3.31Å; P149-S163 PolarHBondContact O-OG 3.29Å; P149-S163 VanDerWaalsContact O-OG 3.13Å; F150-S163 WeakPolarHBondContact O-CB 3.35Å; V159-S163 WeakPolarHBondContact O-CB 3.47Å; V159-S163 PolarHBondContact O-N 3.46Å; V159-S163 PolarHBondContact O-OG 3.03Å; N160-S163 CarbonylContact O-C 3.55Å; N160-S163 PolarHBondContact O-N 2.84Å; F161-S163 PolarHBondContact O-N 2.87Å; S163-G165 PolarHBondContact O-N 2.74Å; S163-S166 WeakPolarHBondContact O-CB 3.5Å; S163-S166 PolarHBondContact O-N 3.12Å; S163-V167 PolarHBondContact O-N 3.34Å; S163-V167 VanDerWaalsContact O-N 3.16Å; S163-S295 PolarHBondContact OG-O 2.96Å
164I98.4Very high97.6Very high0 Ų014.8 Ų14.80%09%0.092CC..Iπ-helixtrans-60.6-30.5-175.3-167.762.8000112.7M22 I145 L146 F150 Y151 N160 V167 I168M22-I164 HydrophobicContact CE-CG2 3.67Å; M22-I164 HydrophobicContact SD-CG2 4.04Å; I145-I164 HydrophobicContact CG2-CD1 4.34Å; L146-I164 HydrophobicContact CD2-CD1 3.67Å; L146-I164 HydrophobicContact CD2-CG1 3.8Å; F150-I164 HydrophobicContact CB-CB 4.18Å; F150-I164 HydrophobicContact CB-CD1 4.32Å; F150-I164 WeakPolarHBondContact O-CB 3.45Å; F150-I164 VanDerWaalsContact O-CG2 3.31Å; F150-I164 WeakPolarHBondContact O-CG2 3.44Å; F150-I164 PolarHBondContact O-N 3.49Å; Y151-I164 HydrophobicContact CD2-CG2 4.03Å; Y151-I164 HydrophobicContact CG-CG2 4.42Å; N160-I164 HydrophobicContact CB-CG2 4.5Å; N160-I164 VanDerWaalsContact O-CG2 3.26Å; N160-I164 WeakPolarHBondContact O-CG2 3.09Å; N160-I164 PolarHBondContact O-N 3.01Å; I164-V167 HydrophobicContact CD1-CB 4.26Å; I164-V167 HydrophobicContact CD1-CG1 4.46Å; I164-V167 PolarHBondContact O-N 3.22Å; I164-I168 HydrophobicContact CG1-CD1 3.99Å; I164-I168 HydrophobicContact CG1-CG1 4.27Å; I164-I168 VanDerWaalsContact O-CG1 3.28Å; I164-I168 WeakPolarHBondContact O-CG1 3.3Å; I164-I168 PolarHBondContact O-N 2.91Å
165G98.7Very high97.9Very high0 Ų09.4 Ų9.40%06%0.059CC..Iπ-helixtrans-62.8-41.8174.400000112.3L26 N160 F161 S163 V167 I168 G169 S264L26-G165 WeakPolarHBondContact CD2-O 3.33Å; N160-G165 PolarHBondContact O-N 3.01Å; F161-G165 CarbonylContact O-C 3.58Å; F161-G165 WeakPolarHBondContact O-CA 3.36Å; S163-G165 PolarHBondContact O-N 2.74Å; G165-V167 VanDerWaalsContact C-N 3.34Å; G165-I168 PolarHBondContact O-N 3.28Å; G165-G169 PolarHBondContact O-N 3.12Å; G165-S264 VanDerWaalsContact C-CB 3.49Å; G165-S264 WeakPolarHBondContact CA-OG 3.4Å
166S98.7Very high98Very high4 Ų47.6 Ų7.63%0.0285%0.046CC..Hα-helixtrans-64.4-38.4174.8-60.60000111.7F161 G162 S163 H170 S264F161-S166 PolarHBondContact O-N 3.37Å; F161-S166 PolarHBondContact O-OG 2.91Å; G162-S166 WeakPolarHBondContact O-CB 3.22Å; G162-S166 PolarHBondContact O-OG 3.13Å; S163-S166 WeakPolarHBondContact O-CB 3.5Å; S163-S166 PolarHBondContact O-N 3.12Å; S166-H170 VanDerWaalsContact O-CB 3.22Å; S166-H170 WeakPolarHBondContact O-CB 3.38Å; S166-H170 PolarHBondContact O-N 3.32Å; S166-S264 PolarHBondContact N-OG 2.98Å
167V98.7Very high98.1Very high15 Ų157 Ų79%0.0914%0.042CC..Hα-helixtrans-66.3-43.8174.1178.90000111.1A130 F141 I145 F150 S163 I164 G165 G169 H170 E171 F299A130-V167 HydrophobicContact CB-CG1 3.83Å; F141-V167 HydrophobicContact CE1-CG1 4.27Å; I145-V167 HydrophobicContact CD1-CG1 4.04Å; F150-V167 HydrophobicContact CD1-CG2 3.95Å; F150-V167 HydrophobicContact CE1-CG2 3.99Å; S163-V167 PolarHBondContact O-N 3.34Å; S163-V167 VanDerWaalsContact O-N 3.16Å; I164-V167 HydrophobicContact CD1-CB 4.26Å; I164-V167 HydrophobicContact CD1-CG1 4.46Å; I164-V167 PolarHBondContact O-N 3.22Å; G165-V167 VanDerWaalsContact C-N 3.34Å; V167-G169 PolarHBondContact O-N 3.38Å; V167-H170 WeakPolarHBondContact O-CB 3.46Å; V167-H170 PolarHBondContact O-N 3.11Å; V167-E171 WeakPolarHBondContact O-CG 3.38Å; V167-E171 PolarHBondContact O-N 2.89Å; V167-F299 HydrophobicContact CG2-CE2 4.43Å; V167-F299 HydrophobicContact CG2-CZ 4.25Å
168I98.7Very high97.9Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-62.8-45.2176.4-69.3160.9000111.1V19 M22 V23 L26 F141 I164 G165 H170 E171 I172V19-I168 HydrophobicContact CG1-CD1 4.23Å; M22-I168 HydrophobicContact CB-CD1 4.2Å; V23-I168 HydrophobicContact CB-CG2 4.44Å; V23-I168 HydrophobicContact CG2-CD1 4.09Å; V23-I168 HydrophobicContact CG2-CG1 4.32Å; V23-I168 HydrophobicContact CG2-CG2 3.82Å; L26-I168 HydrophobicContact CB-CG2 4.05Å; L26-I168 HydrophobicContact CD1-CB 3.71Å; L26-I168 HydrophobicContact CD1-CD1 4.03Å; L26-I168 HydrophobicContact CD1-CG1 4.5Å; L26-I168 HydrophobicContact CD1-CG2 3.43Å; L26-I168 VanDerWaalsContact CD1-CG2 3.43Å; L26-I168 HydrophobicContact CG-CG2 4.21Å; F141-I168 HydrophobicContact CD1-CG1 4.05Å; F141-I168 HydrophobicContact CD2-CG1 4.47Å; F141-I168 HydrophobicContact CE1-CB 4.11Å; F141-I168 HydrophobicContact CE1-CG1 3.57Å; F141-I168 HydrophobicContact CE2-CG1 4.02Å; F141-I168 HydrophobicContact CE2-CG2 4.45Å; F141-I168 HydrophobicContact CG-CG1 4.49Å; F141-I168 HydrophobicContact CZ-CB 3.87Å; F141-I168 HydrophobicContact CZ-CG1 3.56Å; F141-I168 HydrophobicContact CZ-CG2 4.05Å; I164-I168 HydrophobicContact CG1-CD1 3.99Å; I164-I168 HydrophobicContact CG1-CG1 4.27Å; I164-I168 VanDerWaalsContact O-CG1 3.28Å; I164-I168 WeakPolarHBondContact O-CG1 3.3Å; I164-I168 PolarHBondContact O-N 2.91Å; G165-I168 PolarHBondContact O-N 3.28Å; I168-H170 VanDerWaalsContact C-N 3.26Å; I168-H170 PolarHBondContact O-N 3.1Å; I168-E171 PolarHBondContact O-N 3.35Å; I168-I172 HydrophobicContact CG2-CD1 3.88Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 2.97Å
169G98.7Very high97.7Very high0 Ų013 Ų130%07%0.066CC..Hα-helixtrans-61.3-36.7174.900000112.1G165 V167 I172 T173 G260 Q263G165-G169 PolarHBondContact O-N 3.12Å; V167-G169 PolarHBondContact O-N 3.38Å; G169-I172 PolarHBondContact O-N 3.31Å; G169-T173 WeakPolarHBondContact O-CB 3.29Å; G169-T173 PolarHBondContact O-N 3.33Å; G169-T173 PolarHBondContact O-OG1 3.15Å; G169-G260 WeakPolarHBondContact O-CA 3.49Å; G169-Q263 PolarHBondContact O-OE1 3.01Å
170H98.8Very high97.6Very high16 Ų1612 Ų127%0.0746%0.06CC..Hα-helixtrans-61-50.6175.5175.296.2000110.9S166 V167 I168 I172 T173 H174 E253 A256 D257 R324S166-H170 VanDerWaalsContact O-CB 3.22Å; S166-H170 WeakPolarHBondContact O-CB 3.38Å; S166-H170 PolarHBondContact O-N 3.32Å; V167-H170 WeakPolarHBondContact O-CB 3.46Å; V167-H170 PolarHBondContact O-N 3.11Å; I168-H170 VanDerWaalsContact C-N 3.26Å; I168-H170 PolarHBondContact O-N 3.1Å; H170-I172 PolarHBondContact O-N 3.19Å; H170-T173 WeakPolarHBondContact O-CA 3.43Å; H170-T173 WeakPolarHBondContact O-CB 3.4Å; H170-T173 PolarHBondContact O-N 3.23Å; H170-H174 AromaticContact CD2-CD2 3.72Å; H170-H174 AromaticContact CD2-NE2 3.51Å; H170-H174 AromaticContact CE1-NE2 3.6Å; H170-H174 AromaticContact NE2-CD2 3.69Å; H170-H174 AromaticContact NE2-CE1 3.89Å; H170-H174 AromaticContact NE2-NE2 2.97Å; H170-H174 PolarHBondContact NE2-NE2 2.81Å; H170-H174 PolarHBondContact O-N 3.16Å; H170-E253 IonicContact CE1-OE2 2.84Å; H170-E253 PolarHBondContact CE1-OE2 3.2Å; H170-E253 IonicContact NE2-OE2 2.94Å; H170-E253 PolarHBondContact NE2-OE2 2.85Å; H170-A256 WeakPolarHBondContact CE1-CB 3.43Å; H170-A256 VanDerWaalsContact ND1-C 3.29Å; H170-A256 VanDerWaalsContact ND1-CB 3.31Å; H170-A256 WeakPolarHBondContact ND1-CB 3.44Å; H170-D257 IonicContact CE1-OD1 3.12Å; H170-D257 PolarHBondContact CE1-OD1 2.84Å; H170-D257 VanDerWaalsContact CE1-OD1 3.32Å; H170-D257 PolarHBondContact ND1-N 2.92Å; H170-D257 IonicContact ND1-OD1 3.21Å; H170-D257 PolarHBondContact ND1-OD1 2.82Å; H170-R324 PolarHBondContact CE1-NH2 3.21Å
171E98.7Very high97.4Very high10 Ų1011.5 Ų11.55%0.0476%0.057CC..Hα-helixtrans-65-34.7176.7-56.3-51.8154.400113.6A130 W131 Y132 I139 F141 V167 I168 T173 H174A130-E171 HydrophobicContact CB-CG 3.82Å; A130-E171 WeakPolarHBondContact CB-OE1 3.42Å; W131-E171 WeakPolarHBondContact CA-OE2 3.34Å; Y132-E171 PolarHBondContact N-OE2 3.21Å; I139-E171 HydrophobicContact CB-CB 4.05Å; I139-E171 HydrophobicContact CG2-CB 3.67Å; I139-E171 WeakPolarHBondContact CG2-O 3.42Å; F141-E171 HydrophobicContact CE1-CB 4.18Å; F141-E171 HydrophobicContact CE1-CG 3.57Å; F141-E171 HydrophobicContact CZ-CB 3.85Å; F141-E171 HydrophobicContact CZ-CG 3.77Å; V167-E171 WeakPolarHBondContact O-CG 3.38Å; V167-E171 PolarHBondContact O-N 2.89Å; I168-E171 PolarHBondContact O-N 3.35Å; E171-T173 VanDerWaalsContact C-N 3.3Å; E171-H174 PolarHBondContact O-N 2.49Å; E171-H174 IonicContact OE2-CD2 2.84Å
172I98.6Very high97Very high0 Ų012.7 Ų12.70%06%0.062CC..Hα-helixtrans-62.6-43172-70.7167.1000109.8L26 K27 F30 I52 M55 I139 I168 G169 H170 H174 G175 F176L26-I172 HydrophobicContact CB-CD1 3.76Å; K27-I172 HydrophobicContact CG-CD1 4Å; F30-I172 HydrophobicContact CB-CG2 4.36Å; F30-I172 HydrophobicContact CD2-CG2 4.14Å; F30-I172 HydrophobicContact CG-CG2 4.2Å; I52-I172 HydrophobicContact CD1-CG2 3.71Å; M55-I172 HydrophobicContact CE-CG2 4.39Å; M55-I172 HydrophobicContact SD-CB 4.37Å; M55-I172 HydrophobicContact SD-CG1 3.96Å; M55-I172 HydrophobicContact SD-CG2 4.42Å; I139-I172 HydrophobicContact CD1-CD1 4.44Å; I139-I172 HydrophobicContact CD1-CG1 3.77Å; I168-I172 HydrophobicContact CG2-CD1 3.88Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 2.97Å; G169-I172 PolarHBondContact O-N 3.31Å; H170-I172 PolarHBondContact O-N 3.19Å; I172-H174 VanDerWaalsContact C-N 3.33Å; I172-H174 PolarHBondContact O-N 2.6Å; I172-G175 PolarHBondContact O-N 3.43Å; I172-G175 VanDerWaalsContact O-N 3.08Å; I172-F176 WeakPolarHBondContact O-CD2 3.31Å
173T98.5Very high96.7Very high0 Ų015.5 Ų15.50%07%0.074CC..Hα-helixtrans-67.8-30.8-178.5-51.20000112.5G169 H170 E171 G175 F176 D177 I255 A256 G260 Q263 W356G169-T173 WeakPolarHBondContact O-CB 3.29Å; G169-T173 PolarHBondContact O-N 3.33Å; G169-T173 PolarHBondContact O-OG1 3.15Å; H170-T173 WeakPolarHBondContact O-CA 3.43Å; H170-T173 WeakPolarHBondContact O-CB 3.4Å; H170-T173 PolarHBondContact O-N 3.23Å; E171-T173 VanDerWaalsContact C-N 3.3Å; T173-G175 PolarHBondContact O-N 2.95Å; T173-G175 VanDerWaalsContact O-N 3.15Å; T173-F176 CarbonylContact O-C 3.58Å; T173-F176 VanDerWaalsContact O-C 3.28Å; T173-F176 WeakPolarHBondContact O-CA 3.42Å; T173-F176 PolarHBondContact O-N 2.71Å; T173-D177 PolarHBondContact O-N 2.89Å; T173-I255 HydrophobicContact CG2-CG2 4.11Å; T173-A256 HydrophobicContact CG2-CB 4.44Å; T173-G260 PolarHBondContact OG1-N 3.23Å; T173-Q263 PolarHBondContact OG1-NE2 3.11Å; T173-W356 VanDerWaalsContact CG2-CD1 3.41Å; T173-W356 HydrophobicContact CG2-CG 4.29Å
174H98.4Very high96.4Very high19 Ų1916.1 Ų16.19%0.0888%0.076CC..Hα-helixtrans-57.4-24.8170.7-82.6-50.7000113.1Y132 H170 E171 I172 F176 D177 G180 E253Y132-H174 HydrophobicContact CD1-CB 3.67Å; Y132-H174 WeakPolarHBondContact CE1-O 3.38Å; Y132-H174 HydrophobicContact CG-CB 3.8Å; H170-H174 AromaticContact CD2-CD2 3.72Å; H170-H174 AromaticContact CD2-NE2 3.51Å; H170-H174 AromaticContact CE1-NE2 3.6Å; H170-H174 AromaticContact NE2-CD2 3.69Å; H170-H174 AromaticContact NE2-CE1 3.89Å; H170-H174 AromaticContact NE2-NE2 2.97Å; H170-H174 PolarHBondContact NE2-NE2 2.81Å; H170-H174 PolarHBondContact O-N 3.16Å; E171-H174 PolarHBondContact O-N 2.49Å; E171-H174 IonicContact OE2-CD2 2.84Å; I172-H174 VanDerWaalsContact C-N 3.33Å; I172-H174 PolarHBondContact O-N 2.6Å; H174-F176 PolarHBondContact O-N 3.32Å; H174-D177 IonicContact CE1-OD2 2.73Å; H174-D177 IonicContact CG-OD2 3.99Å; H174-D177 IonicContact ND1-OD2 2.79Å; H174-D177 PolarHBondContact ND1-OD2 3.19Å; H174-G180 VanDerWaalsContact O-CA 3.32Å; H174-G180 WeakPolarHBondContact O-CA 3.41Å; H174-E253 IonicContact CE1-OE1 3.68Å; H174-E253 PolarHBondContact CE1-OE1 2.95Å; H174-E253 IonicContact CE1-OE2 3.32Å; H174-E253 IonicContact NE2-OE1 3.53Å; H174-E253 PolarHBondContact NE2-OE1 3.41Å; H174-E253 IonicContact NE2-OE2 2.78Å
175G97.4Very high96.2Very high0 Ų016.5 Ų16.50%08%0.079CC..THydrogen-bonded Turntrans-62.3-10.216800000114.6K51 Y132 I172 T173 G180K51-G175 WeakPolarHBondContact CE-O 3.5Å; K51-G175 PolarHBondContact NZ-O 3.27Å; Y132-G175 WeakPolarHBondContact OH-CA 3.33Å; I172-G175 PolarHBondContact O-N 3.43Å; I172-G175 VanDerWaalsContact O-N 3.08Å; T173-G175 PolarHBondContact O-N 2.95Å; T173-G175 VanDerWaalsContact O-N 3.15Å; G175-G180 CarbonylContact O-C 3.58Å
176F97.1Very high95.8Very high0 Ų022.6 Ų22.60%010%0.103CC..THydrogen-bonded Turntrans-14313.1-170.9-53.3-86.4000112.5F30 A48 K51 I52 M55 I172 T173 H174 W211 W356F30-F176 HydrophobicContact CD1-CE2 4.31Å; F30-F176 HydrophobicContact CE1-CD1 4.38Å; F30-F176 AromaticContact CE1-CD2 3.77Å; F30-F176 HydrophobicContact CE1-CD2 3.77Å; F30-F176 HydrophobicContact CE1-CE1 4.1Å; F30-F176 AromaticContact CE1-CE2 3.43Å; F30-F176 HydrophobicContact CE1-CE2 3.43Å; F30-F176 VanDerWaalsContact CE1-CE2 3.43Å; F30-F176 HydrophobicContact CE1-CG 4.23Å; F30-F176 AromaticContact CE1-CZ 3.62Å; F30-F176 HydrophobicContact CE1-CZ 3.62Å; F30-F176 AromaticContact CE2-CD2 3.91Å; F30-F176 HydrophobicContact CE2-CD2 3.91Å; F30-F176 HydrophobicContact CE2-CE2 4.28Å; F30-F176 HydrophobicContact CE2-CG 4.43Å; F30-F176 HydrophobicContact CZ-CB 4.21Å; F30-F176 HydrophobicContact CZ-CD1 4.06Å; F30-F176 AromaticContact CZ-CD2 3.23Å; F30-F176 HydrophobicContact CZ-CD2 3.23Å; F30-F176 HydrophobicContact CZ-CE1 4.24Å; F30-F176 AromaticContact CZ-CE2 3.44Å; F30-F176 HydrophobicContact CZ-CE2 3.44Å; F30-F176 VanDerWaalsContact CZ-CE2 3.44Å; F30-F176 AromaticContact CZ-CG 3.57Å; F30-F176 HydrophobicContact CZ-CG 3.57Å; F30-F176 AromaticContact CZ-CZ 3.95Å; F30-F176 HydrophobicContact CZ-CZ 3.95Å; A48-F176 HydrophobicContact CB-CD1 4.43Å; A48-F176 HydrophobicContact CB-CE1 3.9Å; K51-F176 HydrophobicContact CB-CE1 4Å; K51-F176 HydrophobicContact CB-CZ 4.01Å; K51-F176 HydrophobicContact CD-CD1 4.38Å; K51-F176 HydrophobicContact CD-CE1 3.78Å; K51-F176 HydrophobicContact CD-CZ 4.06Å; K51-F176 HydrophobicContact CG-CE1 4.03Å; K51-F176 HydrophobicContact CG-CZ 3.89Å; I52-F176 HydrophobicContact CB-CE2 4.35Å; I52-F176 HydrophobicContact CB-CZ 4.04Å; M55-F176 HydrophobicContact CE-CE2 4.21Å; I172-F176 WeakPolarHBondContact O-CD2 3.31Å; T173-F176 CarbonylContact O-C 3.58Å; T173-F176 VanDerWaalsContact O-C 3.28Å; T173-F176 WeakPolarHBondContact O-CA 3.42Å; T173-F176 PolarHBondContact O-N 2.71Å; H174-F176 PolarHBondContact O-N 3.32Å; F176-W211 HydrophobicContact CD1-CH2 4.26Å; F176-W356 HydrophobicContact CB-CD2 4.33Å; F176-W356 HydrophobicContact CB-CH2 4.16Å; F176-W356 HydrophobicContact CB-CZ2 3.48Å; F176-W356 VanDerWaalsContact CB-CZ2 3.48Å; F176-W356 HydrophobicContact CG-CZ2 4.47Å; F176-W356 VanDerWaalsContact O-CE2 3.24Å; F176-W356 WeakPolarHBondContact O-CZ2 3.4Å; F176-W356 PolarHBondContact O-NE1 2.92Å
177D96.9Very high95.5Very high12 Ų1222.8 Ų22.86%0.06411%0.106CC..SBendtrans-73.7-172.8169.271.119.2000111T173 H174 Q179 G180 A181 I255T173-D177 PolarHBondContact O-N 2.89Å; H174-D177 IonicContact CE1-OD2 2.73Å; H174-D177 IonicContact CG-OD2 3.99Å; H174-D177 IonicContact ND1-OD2 2.79Å; H174-D177 PolarHBondContact ND1-OD2 3.19Å; D177-Q179 PolarHBondContact O-N 2.88Å; D177-Q179 PolarHBondContact OD1-N 3Å; D177-G180 PolarHBondContact OD1-N 3.06Å; D177-A181 WeakPolarHBondContact O-CA 3.39Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 2.72Å; D177-I255 HydrophobicContact CB-CB 4.36Å; D177-I255 HydrophobicContact CB-CD1 4.5Å; D177-I255 HydrophobicContact CB-CG2 4.25Å
178D93.2Very high95.1Very high28 Ų2826.6 Ų26.615%0.1513%0.126CC..THydrogen-bonded Turntrans-61.4-25.2-176.764.1-71.6000114.8F220 K251 G252D178-F220 HydrophobicContact CB-CE1 4.46Å; D178-K251 WeakPolarHBondContact OD2-CE 3.5Å; D178-K251 IonicContact OD2-NZ 3.51Å; D178-G252 WeakPolarHBondContact OD1-CA 3.26Å; D178-G252 PolarHBondContact OD1-N 3.46Å
179Q92.8Very high94.5Very high127 Ų12730.6 Ų30.659%0.59315%0.147SC*.THydrogen-bonded Turntrans-99.3-48.2178.9-61.9-172.616.300111.9D177 A181 E182 Y183D177-Q179 PolarHBondContact O-N 2.88Å; D177-Q179 PolarHBondContact OD1-N 3Å; Q179-A181 PolarHBondContact O-N 3.14Å; Q179-E182 WeakPolarHBondContact O-CB 3.43Å; Q179-E182 PolarHBondContact O-N 3.07Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.33Å
180G94.5Very high93.2Very high1 Ų131.1 Ų31.11%0.0115%0.149CC..G310 helixtrans-61.1-33.1176.700000111.8K51 H174 G175 D177 E182 Y183K51-G180 PolarHBondContact NZ-O 3.4Å; H174-G180 VanDerWaalsContact O-CA 3.32Å; H174-G180 WeakPolarHBondContact O-CA 3.41Å; G175-G180 CarbonylContact O-C 3.58Å; D177-G180 PolarHBondContact OD1-N 3.06Å; G180-E182 PolarHBondContact O-N 2.76Å; G180-Y183 PolarHBondContact O-N 3.15Å
181A93.2Very high91.5Very high0 Ų032 Ų320%016%0.156CC..G310 helixtrans-59.7-11.5170.300000114D177 Q179 W211 W212 F220D177-A181 WeakPolarHBondContact O-CA 3.39Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 2.72Å; Q179-A181 PolarHBondContact O-N 3.14Å; A181-W211 HydrophobicContact CB-CH2 4.38Å; A181-W211 HydrophobicContact CB-CZ2 4.21Å; A181-W211 WeakPolarHBondContact O-CZ2 3.13Å; A181-W211 PolarHBondContact O-NE1 3.49Å; A181-W212 HydrophobicContact CB-CZ2 3.63Å; A181-W212 PolarHBondContact O-NE1 3.26Å; A181-F220 HydrophobicContact CB-CE1 4.34Å; A181-F220 HydrophobicContact CB-CZ 4.12Å
182E90.5Very high89.5Confident31 Ų3134.6 Ų34.615%0.14517%0.168CC..G310 helixtrans-86.7-13.4173.5-59.8-56.8149.500112.3Q179 G180 L189 N190 K217Q179-E182 WeakPolarHBondContact O-CB 3.43Å; Q179-E182 PolarHBondContact O-N 3.07Å; G180-E182 PolarHBondContact O-N 2.76Å; E182-L189 HydrophobicContact CB-CD1 3.62Å; E182-N190 WeakPolarHBondContact O-CA 3.08Å; E182-N190 WeakPolarHBondContact O-CB 3.37Å; E182-N190 PolarHBondContact O-N 3.05Å; E182-K217 IonicContact OE1-NZ 2.7Å; E182-K217 PolarHBondContact OE1-NZ 3.14Å
183Y92.1Very high87.3Confident60 Ų6040.4 Ų40.424%0.23520%0.199CC..BIsolated β-bridgetrans-97142.2-178.4-66.6-99.2000112.1K51 P134 Q179 G180 G187 N188 L189 W211K51-Y183 WeakPolarHBondContact CE-O 3.33Å; K51-Y183 PolarHBondContact NZ-O 3.08Å; P134-Y183 HydrophobicContact CB-CD1 3.98Å; P134-Y183 HydrophobicContact CB-CD2 3.46Å; P134-Y183 VanDerWaalsContact CB-CD2 3.46Å; P134-Y183 HydrophobicContact CB-CE1 4.09Å; P134-Y183 HydrophobicContact CB-CE2 3.58Å; P134-Y183 HydrophobicContact CB-CG 3.67Å; P134-Y183 HydrophobicContact CG-CD2 4.49Å; P134-Y183 HydrophobicContact CG-CE2 4.36Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.33Å; G180-Y183 PolarHBondContact O-N 3.15Å; Y183-G187 WeakPolarHBondContact CD1-O 3.49Å; Y183-N188 CarbonylContact C-O 3.51Å; Y183-N188 VanDerWaalsContact CA-O 3.32Å; Y183-N188 WeakPolarHBondContact CA-O 3.2Å; Y183-L189 HydrophobicContact CD1-CB 4.26Å; Y183-L189 HydrophobicContact CD2-CD1 4.14Å; Y183-L189 HydrophobicContact CE1-CB 3.91Å; Y183-L189 HydrophobicContact CE1-CD1 4.12Å; Y183-L189 HydrophobicContact CE2-CD1 3.71Å; Y183-W211 PolarHBondContact O-NE1 2.86Å
184D91.5Very high85.2Confident15 Ų1542.6 Ų42.68%0.0821%0.214CC..  trans-77.4-172.1174.375.69000112.9Y186 G187 N188 Y209D184-Y186 PolarHBondContact O-N 3.45Å; D184-Y186 WeakPolarHBondContact OD1-CA 3.48Å; D184-Y186 PolarHBondContact OD1-N 3.47Å; D184-G187 PolarHBondContact O-N 3.39Å; D184-G187 PolarHBondContact OD1-N 3.34Å; D184-N188 PolarHBondContact N-O 3.33Å; D184-N188 PolarHBondContact OD1-N 3.2Å; D184-N188 PolarHBondContact OD1-ND2 3.02Å; D184-N188 WeakPolarHBondContact OD2-CB 3.48Å; D184-N188 PolarHBondContact OD2-ND2 3.4Å; D184-Y209 HydrophobicContact CB-CD1 4.02Å; D184-Y209 HydrophobicContact CB-CE1 4.41Å
185S93.8Very high83.1Confident9 Ų944.4 Ų44.46%0.06322%0.224CC..THydrogen-bonded Turntrans-67.9-16.9-179.9580000114.7Q54 R118 N137Q54-S185 WeakPolarHBondContact CB-O 3.5Å; R118-S185 PolarHBondContact NH2-O 2.98Å; N137-S185 PolarHBondContact ND2-O 2.85Å
186Y92Very high81.1Confident127 Ų12751.9 Ų51.950%0.49826%0.258SS..THydrogen-bonded Turntrans-105.5-2.7178.4-67.4-84000113.2D184D184-Y186 PolarHBondContact O-N 3.45Å; D184-Y186 WeakPolarHBondContact OD1-CA 3.48Å; D184-Y186 PolarHBondContact OD1-N 3.47Å
187G92.4Very high79.2Confident8 Ų860.7 Ų60.78%0.08229%0.293CS..SBendtrans86.521.4179.900000114.2P134 S135 Y183 D184P134-G187 WeakPolarHBondContact O-CA 3.48Å; S135-G187 WeakPolarHBondContact CA-O 3.41Å; Y183-G187 WeakPolarHBondContact CD1-O 3.49Å; D184-G187 PolarHBondContact O-N 3.39Å; D184-G187 PolarHBondContact OD1-N 3.34Å
188N89.7Confident77.5Confident96 Ų9665.1 Ų65.151%0.51331%0.312SS..  trans-84.5133.1170.7-50.5-63.4000109.8Y183 D184 N190Y183-N188 CarbonylContact C-O 3.51Å; Y183-N188 VanDerWaalsContact CA-O 3.32Å; Y183-N188 WeakPolarHBondContact CA-O 3.2Å; D184-N188 PolarHBondContact N-O 3.33Å; D184-N188 PolarHBondContact OD1-N 3.2Å; D184-N188 PolarHBondContact OD1-ND2 3.02Å; D184-N188 WeakPolarHBondContact OD2-CB 3.48Å; D184-N188 PolarHBondContact OD2-ND2 3.4Å; N188-N190 PolarHBondContact O-N 3.17Å
189L86.7Confident75.8Confident84 Ų8471 Ų7144%0.4434%0.339SS..BIsolated β-bridgetrans-68.6129.3174.7-176.668.1000109.8E182 Y183 V191E182-L189 HydrophobicContact CB-CD1 3.62Å; Y183-L189 HydrophobicContact CD1-CB 4.26Å; Y183-L189 HydrophobicContact CD2-CD1 4.14Å; Y183-L189 HydrophobicContact CE1-CB 3.91Å; Y183-L189 HydrophobicContact CE1-CD1 4.12Å; Y183-L189 HydrophobicContact CE2-CD1 3.71Å; L189-V191 WeakPolarHBondContact O-CG2 3.42Å; L189-V191 PolarHBondContact O-N 2.86Å; L189-V191 VanDerWaalsContact O-N 3.11Å
190N71.4Confident74.2Confident10 Ų1075.5 Ų75.55%0.05335%0.352CS..  trans-70.4104170.9-176.93.4000108.7E182 N188 Q192 Y209E182-N190 WeakPolarHBondContact O-CA 3.08Å; E182-N190 WeakPolarHBondContact O-CB 3.37Å; E182-N190 PolarHBondContact O-N 3.05Å; N188-N190 PolarHBondContact O-N 3.17Å; N190-Q192 PolarHBondContact O-N 3.05Å; N190-Q192 VanDerWaalsContact O-N 3.08Å; N190-Q192 PolarHBondContact OD1-N 2.9Å; N190-Y209 PolarHBondContact ND2-O 3.03Å; N190-Y209 PolarHBondContact OD1-O 3.04Å
191V62.9Low72.5Confident34 Ų3478.6 Ų78.621%0.20637%0.368CS..G310 helixtrans-81.319.2-172.9-159.60000112L189 N193 C194 I195 F208L189-V191 WeakPolarHBondContact O-CG2 3.42Å; L189-V191 PolarHBondContact O-N 2.86Å; L189-V191 VanDerWaalsContact O-N 3.11Å; V191-N193 PolarHBondContact O-N 3.39Å; V191-C194 HydrophobicContact CG1-CB 3.29Å; V191-C194 WeakPolarHBondContact CG1-SG 3.32Å; V191-C194 PolarHBondContact O-N 3.41Å; V191-I195 PolarHBondContact O-N 2.97Å; V191-F208 HydrophobicContact CB-CD1 3.51Å; V191-F208 HydrophobicContact CB-CE1 3.7Å; V191-F208 HydrophobicContact CB-CG 4.34Å; V191-F208 HydrophobicContact CG1-CD1 4.3Å; V191-F208 HydrophobicContact CG1-CE1 4.02Å; V191-F208 HydrophobicContact CG2-CD1 3.73Å; V191-F208 HydrophobicContact CG2-CE1 3.84Å
192Q56.7Low70.6Confident65 Ų6582.1 Ų82.130%0.30439%0.389SS..G310 helixtrans-53.4-31.3-178.2-165.3172.9-21.700112.2N190 K210N190-Q192 PolarHBondContact O-N 3.05Å; N190-Q192 VanDerWaalsContact O-N 3.08Å; N190-Q192 PolarHBondContact OD1-N 2.9Å; Q192-K210 VanDerWaalsContact OE1-CE 3.26Å; Q192-K210 VanDerWaalsContact OE1-CG 3.29Å
193N51.5Low69Low123 Ų12387.9 Ų87.966%0.65842%0.421SS*.G310 helixtrans-83.9-18.5176-67.6-17.7000114.8V191V191-N193 PolarHBondContact O-N 3.39Å
194C54.5Low67.2Low46 Ų4689.6 Ų89.631%0.31143%0.43SS..THydrogen-bonded Turntrans-86-9.4173-31.50000112.9V191 Q196 Y197 F198V191-C194 HydrophobicContact CG1-CB 3.29Å; V191-C194 WeakPolarHBondContact CG1-SG 3.32Å; V191-C194 PolarHBondContact O-N 3.41Å; C194-Q196 PolarHBondContact O-N 3.02Å; C194-Y197 PolarHBondContact O-N 3.41Å; C194-F198 HydrophobicContact CB-CD2 4.21Å; C194-F198 HydrophobicContact CB-CE2 4.17Å; C194-F198 VanDerWaalsContact O-CD2 3.25Å; C194-F198 WeakPolarHBondContact O-CD2 3.37Å; C194-F198 PolarHBondContact O-N 2.88Å
195I53.4Low65.3Low57 Ų5795.8 Ų95.829%0.29245%0.452SS..G310 helixtrans-55.2-34.6173.9-65.2175.3000111.5V191 Y197 F198 F208V191-I195 PolarHBondContact O-N 2.97Å; I195-Y197 PolarHBondContact O-N 3.19Å; I195-Y197 VanDerWaalsContact O-N 3.14Å; I195-F198 CarbonylContact O-C 3.51Å; I195-F198 PolarHBondContact O-N 3.34Å; I195-F208 HydrophobicContact CD1-CD2 4.23Å; I195-F208 HydrophobicContact CG1-CD2 4.15Å
196Q55.6Low63Low156 Ų156104.7 Ų104.773%0.72949%0.493SS*.G310 helixtrans-60.2-25.2177.3-172.2176.43.300113.2C194C194-Q196 PolarHBondContact O-N 3.02Å
197Y57.4Low61Low185 Ų185104.1 Ų104.173%0.72550%0.497SS*.G310 helixtrans-96.4-5.5179.7-62.4-79.7000113.3C194 I195C194-Y197 PolarHBondContact O-N 3.41Å; I195-Y197 PolarHBondContact O-N 3.19Å; I195-Y197 VanDerWaalsContact O-N 3.14Å
198F61.1Low59.1Low106 Ų106105.9 Ų105.947%0.46550%0.502SS..  trans-127.551.2-174.7-67.5-69.6000112.3C194 I195 Y200 L201C194-F198 HydrophobicContact CB-CD2 4.21Å; C194-F198 HydrophobicContact CB-CE2 4.17Å; C194-F198 VanDerWaalsContact O-CD2 3.25Å; C194-F198 WeakPolarHBondContact O-CD2 3.37Å; C194-F198 PolarHBondContact O-N 2.88Å; I195-F198 CarbonylContact O-C 3.51Å; I195-F198 PolarHBondContact O-N 3.34Å; F198-Y200 PolarHBondContact O-N 2.9Å; F198-L201 HydrophobicContact CB-CB 4.15Å; F198-L201 HydrophobicContact CB-CD1 3.85Å; F198-L201 HydrophobicContact CB-CG 4.06Å; F198-L201 HydrophobicContact CD1-CD1 3.57Å; F198-L201 HydrophobicContact CD1-CG 4.2Å; F198-L201 HydrophobicContact CE1-CD1 4.26Å; F198-L201 HydrophobicContact CG-CD1 3.76Å; F198-L201 HydrophobicContact CG-CG 4.42Å; F198-L201 PolarHBondContact O-N 3.35Å
199E57.7Low57.4Low152 Ų152105.8 Ų105.871%0.7150%0.495SS*.THydrogen-bonded Turntrans-55.2-23.9176.3-72.4-170.8151.800113.4V202E199-V202 VanDerWaalsContact O-CG2 3.26Å; E199-V202 WeakPolarHBondContact O-CG2 3.38Å
200Y60.6Low56.4Low220 Ų220107.2 Ų107.286%0.86350%0.498SS*.THydrogen-bonded Turntrans-85.6-8.6179.4-64.3-84.7000115F198 V202F198-Y200 PolarHBondContact O-N 2.9Å; Y200-V202 VanDerWaalsContact C-N 3.32Å; Y200-V202 PolarHBondContact O-N 3.46Å
201L58Low56.9Low67 Ų67107 Ų10735%0.35150%0.497SS..  trans-96.545.5179.5-64.2-178.2000112F198 D203 F204F198-L201 HydrophobicContact CB-CB 4.15Å; F198-L201 HydrophobicContact CB-CD1 3.85Å; F198-L201 HydrophobicContact CB-CG 4.06Å; F198-L201 HydrophobicContact CD1-CD1 3.57Å; F198-L201 HydrophobicContact CD1-CG 4.2Å; F198-L201 HydrophobicContact CE1-CD1 4.26Å; F198-L201 HydrophobicContact CG-CD1 3.76Å; F198-L201 HydrophobicContact CG-CG 4.42Å; F198-L201 PolarHBondContact O-N 3.35Å; L201-D203 PolarHBondContact O-N 3.43Å; L201-F204 HydrophobicContact CB-CB 4.44Å; L201-F204 HydrophobicContact CB-CD2 3.98Å; L201-F204 HydrophobicContact CD2-CD2 3.96Å; L201-F204 HydrophobicContact CD2-CE2 4.06Å; L201-F204 HydrophobicContact CG-CD2 4.45Å; L201-F204 PolarHBondContact O-N 3.13Å
202V53.6Low58.1Low74 Ų74105.8 Ų105.845%0.44849%0.488SS..G310 helixtrans-58.2-34.3-173.8-174.10000112.7E199 Y200 F204 R205E199-V202 VanDerWaalsContact O-CG2 3.26Å; E199-V202 WeakPolarHBondContact O-CG2 3.38Å; Y200-V202 VanDerWaalsContact C-N 3.32Å; Y200-V202 PolarHBondContact O-N 3.46Å; V202-F204 VanDerWaalsContact C-N 3.28Å; V202-F204 PolarHBondContact O-N 3.28Å; V202-R205 WeakPolarHBondContact O-CG 3.45Å; V202-R205 PolarHBondContact O-N 3.5Å
203D56.9Low59.6Low151 Ų151104.6 Ų104.681%0.80749%0.486SS*.G310 helixtrans-76-9.9179.5-77.3-23.9000114.4L201L201-D203 PolarHBondContact O-N 3.43Å
204F54.4Low61.4Low97 Ų97102.8 Ų102.843%0.42548%0.476SS..G310 helixtrans-94.7-0.2178-66.8-89.7000113.2L201 V202 E206 I207 F208L201-F204 HydrophobicContact CB-CB 4.44Å; L201-F204 HydrophobicContact CB-CD2 3.98Å; L201-F204 HydrophobicContact CD2-CD2 3.96Å; L201-F204 HydrophobicContact CD2-CE2 4.06Å; L201-F204 HydrophobicContact CG-CD2 4.45Å; L201-F204 PolarHBondContact O-N 3.13Å; V202-F204 VanDerWaalsContact C-N 3.28Å; V202-F204 PolarHBondContact O-N 3.28Å; F204-E206 PolarHBondContact O-N 2.86Å; F204-I207 HydrophobicContact CB-CD1 4.43Å; F204-I207 HydrophobicContact CD1-CB 4.49Å; F204-I207 HydrophobicContact CD1-CD1 3.32Å; F204-I207 HydrophobicContact CD1-CG1 4.42Å; F204-I207 HydrophobicContact CE1-CD1 3.83Å; F204-I207 HydrophobicContact CG-CD1 4.18Å; F204-I207 WeakPolarHBondContact O-CA 2.87Å; F204-I207 WeakPolarHBondContact O-CB 3.09Å; F204-I207 PolarHBondContact O-N 3.5Å; F204-F208 HydrophobicContact CB-CD2 4.43Å; F204-F208 HydrophobicContact CB-CE2 3.65Å; F204-F208 HydrophobicContact CB-CZ 3.99Å; F204-F208 WeakPolarHBondContact O-CD2 3.33Å; F204-F208 WeakPolarHBondContact O-CE2 3.03Å; F204-F208 PolarHBondContact O-N 3.07Å
205R50.2Low63.2Low145 Ų145103.2 Ų103.255%0.54748%0.48SS..THydrogen-bonded Turntrans-60.8-30.9-178.7-67.1-175.8-155-179.67.3113.6V202 I207V202-R205 WeakPolarHBondContact O-CG 3.45Å; V202-R205 PolarHBondContact O-N 3.5Å; R205-I207 VanDerWaalsContact C-N 3.31Å
206E46.8Very low65.1Low196 Ų196100.5 Ų100.592%0.91647%0.466SS*.THydrogen-bonded Turntrans-77.2-18.6173.6-65.8-166.8165.400113.2F204F204-E206 PolarHBondContact O-N 2.86Å
207I49.8Very low66.9Low114 Ų11495 Ų9559%0.58544%0.439SS*.THydrogen-bonded Turntrans-82.8-21.8178.3-62.5167.6000110.5F204 R205 Y209F204-I207 HydrophobicContact CB-CD1 4.43Å; F204-I207 HydrophobicContact CD1-CB 4.49Å; F204-I207 HydrophobicContact CD1-CD1 3.32Å; F204-I207 HydrophobicContact CD1-CG1 4.42Å; F204-I207 HydrophobicContact CE1-CD1 3.83Å; F204-I207 HydrophobicContact CG-CD1 4.18Å; F204-I207 WeakPolarHBondContact O-CA 2.87Å; F204-I207 WeakPolarHBondContact O-CB 3.09Å; F204-I207 PolarHBondContact O-N 3.5Å; R205-I207 VanDerWaalsContact C-N 3.31Å; I207-Y209 PolarHBondContact O-N 3.25Å
208F51.8Low68.6Low46 Ų4691.7 Ų91.720%0.20243%0.43CS..SBendtrans-81105.9177.1-60.9-56.7000111V191 I195 F204 K210V191-F208 HydrophobicContact CB-CD1 3.51Å; V191-F208 HydrophobicContact CB-CE1 3.7Å; V191-F208 HydrophobicContact CB-CG 4.34Å; V191-F208 HydrophobicContact CG1-CD1 4.3Å; V191-F208 HydrophobicContact CG1-CE1 4.02Å; V191-F208 HydrophobicContact CG2-CD1 3.73Å; V191-F208 HydrophobicContact CG2-CE1 3.84Å; I195-F208 HydrophobicContact CD1-CD2 4.23Å; I195-F208 HydrophobicContact CG1-CD2 4.15Å; F204-F208 HydrophobicContact CB-CD2 4.43Å; F204-F208 HydrophobicContact CB-CE2 3.65Å; F204-F208 HydrophobicContact CB-CZ 3.99Å; F204-F208 WeakPolarHBondContact O-CD2 3.33Å; F204-F208 WeakPolarHBondContact O-CE2 3.03Å; F204-F208 PolarHBondContact O-N 3.07Å; F208-K210 PolarHBondContact O-N 2.82Å
209Y55.1Low70.3Confident93 Ų9390.3 Ų90.337%0.36542%0.424SS..  trans-71.198.4-170-158.8-98.1000112.3K47 D184 N190 I207 W211K47-Y209 HydrophobicContact CD-CE1 4.08Å; K47-Y209 VanDerWaalsContact CE-OH 3.29Å; K47-Y209 WeakPolarHBondContact CE-OH 3.08Å; K47-Y209 PolarHBondContact NZ-OH 2.92Å; D184-Y209 HydrophobicContact CB-CD1 4.02Å; D184-Y209 HydrophobicContact CB-CE1 4.41Å; N190-Y209 PolarHBondContact ND2-O 3.03Å; N190-Y209 PolarHBondContact OD1-O 3.04Å; I207-Y209 PolarHBondContact O-N 3.25Å; Y209-W211 HydrophobicContact CD1-CB 3.84Å; Y209-W211 HydrophobicContact CE1-CB 3.86Å; Y209-W211 PolarHBondContact O-N 3.33Å; Y209-W211 VanDerWaalsContact O-N 3.11Å
210K65.3Low72.1Confident114 Ų11483.2 Ų83.250%0.49639%0.391SS..  trans-75.194.7171.4-127.4-170.5179.7-168.90109.7Q192 F208 N214Q192-K210 VanDerWaalsContact OE1-CE 3.26Å; Q192-K210 VanDerWaalsContact OE1-CG 3.29Å; F208-K210 PolarHBondContact O-N 2.82Å; K210-N214 PolarHBondContact NZ-OD1 3.29Å
211W81.1Confident73.8Confident7 Ų777.7 Ų77.73%0.02737%0.373CS..  trans-94.5-17.9175.277-95.4000113.7T44 K47 F176 A181 Y183 Y209T44-W211 HydrophobicContact CG2-CE3 4.37Å; T44-W211 HydrophobicContact CG2-CZ3 4.4Å; K47-W211 HydrophobicContact CB-CB 4.06Å; K47-W211 HydrophobicContact CB-CE3 4.1Å; K47-W211 HydrophobicContact CG-CB 4.12Å; F176-W211 HydrophobicContact CD1-CH2 4.26Å; A181-W211 HydrophobicContact CB-CH2 4.38Å; A181-W211 HydrophobicContact CB-CZ2 4.21Å; A181-W211 WeakPolarHBondContact O-CZ2 3.13Å; A181-W211 PolarHBondContact O-NE1 3.49Å; Y183-W211 PolarHBondContact O-NE1 2.86Å; Y209-W211 HydrophobicContact CD1-CB 3.84Å; Y209-W211 HydrophobicContact CE1-CB 3.86Å; Y209-W211 PolarHBondContact O-N 3.33Å; Y209-W211 VanDerWaalsContact O-N 3.11Å
212W87.9Confident75.7Confident8 Ų881.2 Ų81.23%0.0339%0.388CS..SBendtrans-94.6140.7167.1-6791.3000111.3W39 M40 T44 A181 K217 F220 W356W39-W212 AromaticContact CH2-CH2 3.93Å; W39-W212 HydrophobicContact CH2-CH2 3.93Å; W39-W212 AromaticContact CH2-CZ3 3.83Å; W39-W212 HydrophobicContact CH2-CZ3 3.83Å; W39-W212 HydrophobicContact CZ3-CH2 4.43Å; W39-W212 AromaticContact CZ3-CZ3 3.87Å; W39-W212 HydrophobicContact CZ3-CZ3 3.87Å; M40-W212 HydrophobicContact CE-CH2 3.88Å; M40-W212 HydrophobicContact CE-CZ3 3.85Å; T44-W212 HydrophobicContact CG2-CD2 4.04Å; T44-W212 HydrophobicContact CG2-CE3 3.56Å; T44-W212 HydrophobicContact CG2-CZ3 3.89Å; A181-W212 HydrophobicContact CB-CZ2 3.63Å; A181-W212 PolarHBondContact O-NE1 3.26Å; W212-K217 HydrophobicContact CB-CB 4.29Å; W212-K217 HydrophobicContact CD2-CD 4.47Å; W212-K217 HydrophobicContact CG-CD 4.46Å; W212-F220 HydrophobicContact CH2-CB 4.11Å; W212-F220 AromaticContact CH2-CD2 3.83Å; W212-F220 HydrophobicContact CH2-CD2 3.83Å; W212-F220 HydrophobicContact CH2-CE2 4.4Å; W212-F220 AromaticContact CH2-CG 3.94Å; W212-F220 HydrophobicContact CH2-CG 3.94Å; W212-F220 HydrophobicContact CZ3-CB 3.93Å; W212-F220 HydrophobicContact CZ3-CD2 4.47Å; W212-F220 HydrophobicContact CZ3-CG 4.28Å; W212-W356 AromaticContact CH2-CH2 3.99Å; W212-W356 HydrophobicContact CH2-CH2 3.99Å; W212-W356 HydrophobicContact CH2-CZ2 4.41Å
213T89.2Confident77.8Confident40 Ų4080.2 Ų80.225%0.24538%0.377CS..  trans-78.3155.9154.169.80000110D41 P43 T44 S215 S216 K217D41-T213 WeakPolarHBondContact OD2-CB 3.42Å; D41-T213 WeakPolarHBondContact OD2-CG2 3.35Å; D41-T213 PolarHBondContact OD2-OG1 2.88Å; P43-T213 HydrophobicContact CB-CG2 4.48Å; T44-T213 PolarHBondContact OG1-N 3.47Å; T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 PolarHBondContact O-N 2.7Å; T213-S216 PolarHBondContact O-N 3.42Å; T213-S216 WeakPolarHBondContact OG1-CB 3.4Å; T213-S216 PolarHBondContact OG1-N 2.85Å; T213-S216 VanDerWaalsContact OG1-N 3.16Å; T213-S216 PolarHBondContact OG1-OG 2.86Å; T213-K217 PolarHBondContact O-N 3.15Å
214N88.8Confident79.7Confident84 Ų8473.6 Ų73.645%0.44934%0.342SS..Hα-helixtrans-58.9-41.3177.3-66.99.4000111.4K210 K217 E218K210-N214 PolarHBondContact NZ-OD1 3.29Å; N214-K217 PolarHBondContact O-N 3.03Å; N214-E218 WeakPolarHBondContact O-CG 3.37Å; N214-E218 PolarHBondContact O-N 2.94Å
215S92.7Very high81.8Confident56 Ų5673.1 Ų73.139%0.39234%0.341SS..Hα-helixtrans-62.3-43.8178.8178.90000112.8T213 K219T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 PolarHBondContact O-N 2.7Å; S215-K219 WeakPolarHBondContact O-CG 3.47Å; S215-K219 PolarHBondContact O-N 3.3Å
216S94.4Very high84.1Confident0 Ų067.2 Ų67.20%032%0.322CS..Hα-helixtrans-66.9-38.2175.1-65.50000111.3W39 D41 T44 T213 F220W39-S216 WeakPolarHBondContact CZ3-O 3.38Å; D41-S216 PolarHBondContact N-OG 3.46Å; D41-S216 VanDerWaalsContact N-OG 3.11Å; D41-S216 PolarHBondContact OD1-OG 3.27Å; D41-S216 PolarHBondContact OD2-OG 3.09Å; T44-S216 WeakPolarHBondContact OG1-CB 3.45Å; T44-S216 PolarHBondContact OG1-OG 2.83Å; T213-S216 PolarHBondContact O-N 3.42Å; T213-S216 WeakPolarHBondContact OG1-CB 3.4Å; T213-S216 PolarHBondContact OG1-N 2.85Å; T213-S216 VanDerWaalsContact OG1-N 3.16Å; T213-S216 PolarHBondContact OG1-OG 2.86Å; S216-F220 WeakPolarHBondContact O-CB 3.15Å; S216-F220 PolarHBondContact O-N 3.31Å
217K91.9Very high86.6Confident41 Ų4158 Ų5818%0.17828%0.279CS..Hα-helixtrans-65-47.2178.7-176.566.1-173.5-178.30112.4E182 W212 T213 N214 K219 F220 E221E182-K217 IonicContact OE1-NZ 2.7Å; E182-K217 PolarHBondContact OE1-NZ 3.14Å; W212-K217 HydrophobicContact CB-CB 4.29Å; W212-K217 HydrophobicContact CD2-CD 4.47Å; W212-K217 HydrophobicContact CG-CD 4.46Å; T213-K217 PolarHBondContact O-N 3.15Å; N214-K217 PolarHBondContact O-N 3.03Å; K217-K219 PolarHBondContact O-N 2.99Å; K217-F220 WeakPolarHBondContact O-CB 3.48Å; K217-F220 PolarHBondContact O-N 2.98Å; K217-F220 VanDerWaalsContact O-N 3.15Å; K217-E221 WeakPolarHBondContact CE-OE1 3.39Å; K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 3.09Å
218E93.9Very high88.9Confident114 Ų11453 Ų5353%0.53325%0.254SS..Hα-helixtrans-57.7-47.4177.2-73.4167-170.100111.1N214 F220 E221 E222N214-E218 WeakPolarHBondContact O-CG 3.37Å; N214-E218 PolarHBondContact O-N 2.94Å; E218-F220 VanDerWaalsContact C-N 3.32Å; E218-F220 PolarHBondContact O-N 3.18Å; E218-E221 PolarHBondContact O-N 3.06Å; E218-E222 WeakPolarHBondContact O-CG 3.47Å; E218-E222 PolarHBondContact O-N 2.84Å
219K96.6Very high91.1Very high78 Ų7854 Ų5434%0.33926%0.261SS..Hα-helixtrans-66.2-32.7176.8-70174.1-176.9176.50113.4W39 S215 K217 K223W39-K219 HydrophobicContact CB-CD 4.34Å; W39-K219 HydrophobicContact CE3-CB 3.91Å; W39-K219 WeakPolarHBondContact O-CD 3.44Å; W39-K219 PolarHBondContact O-NZ 3.08Å; W39-K219 VanDerWaalsContact O-NZ 3.13Å; S215-K219 WeakPolarHBondContact O-CG 3.47Å; S215-K219 PolarHBondContact O-N 3.3Å; K217-K219 PolarHBondContact O-N 2.99Å; K219-K223 VanDerWaalsContact O-CG 3.25Å; K219-K223 WeakPolarHBondContact O-CG 3.44Å; K219-K223 PolarHBondContact O-N 3.32Å
220F96.1Very high93.2Very high2 Ų250.9 Ų50.91%0.00925%0.25CC..Hα-helixtrans-62.8-49.4173174.9-99.8000109.9W39 D178 A181 W212 S216 K217 E218 E222 K223 V224 V355 W356W39-F220 HydrophobicContact CH2-CB 3.87Å; W39-F220 AromaticContact CH2-CD2 3.76Å; W39-F220 HydrophobicContact CH2-CD2 3.76Å; W39-F220 HydrophobicContact CH2-CG 4.3Å; W39-F220 HydrophobicContact CZ2-CD2 4.44Å; W39-F220 HydrophobicContact CZ3-CB 3.7Å; W39-F220 HydrophobicContact CZ3-CD2 4.46Å; D178-F220 HydrophobicContact CB-CE1 4.46Å; A181-F220 HydrophobicContact CB-CE1 4.34Å; A181-F220 HydrophobicContact CB-CZ 4.12Å; W212-F220 HydrophobicContact CH2-CB 4.11Å; W212-F220 AromaticContact CH2-CD2 3.83Å; W212-F220 HydrophobicContact CH2-CD2 3.83Å; W212-F220 HydrophobicContact CH2-CE2 4.4Å; W212-F220 AromaticContact CH2-CG 3.94Å; W212-F220 HydrophobicContact CH2-CG 3.94Å; W212-F220 HydrophobicContact CZ3-CB 3.93Å; W212-F220 HydrophobicContact CZ3-CD2 4.47Å; W212-F220 HydrophobicContact CZ3-CG 4.28Å; S216-F220 WeakPolarHBondContact O-CB 3.15Å; S216-F220 PolarHBondContact O-N 3.31Å; K217-F220 WeakPolarHBondContact O-CB 3.48Å; K217-F220 PolarHBondContact O-N 2.98Å; K217-F220 VanDerWaalsContact O-N 3.15Å; E218-F220 VanDerWaalsContact C-N 3.32Å; E218-F220 PolarHBondContact O-N 3.18Å; F220-E222 PolarHBondContact O-N 3.38Å; F220-K223 WeakPolarHBondContact O-CB 3.34Å; F220-K223 PolarHBondContact O-N 3.11Å; F220-V224 HydrophobicContact CD1-CG2 4.02Å; F220-V224 HydrophobicContact CD2-CG2 4.45Å; F220-V224 HydrophobicContact CE1-CG2 3.64Å; F220-V224 HydrophobicContact CE2-CG2 4.12Å; F220-V224 HydrophobicContact CG-CG2 4.42Å; F220-V224 HydrophobicContact CZ-CG2 3.7Å; F220-V224 WeakPolarHBondContact O-CG2 3.28Å; F220-V224 PolarHBondContact O-N 2.6Å; F220-V355 HydrophobicContact CD2-CG1 3.84Å; F220-V355 HydrophobicContact CE2-CG1 3.74Å; F220-W356 HydrophobicContact CD2-CZ2 4.09Å; F220-W356 AromaticContact CE2-CZ2 3.71Å; F220-W356 HydrophobicContact CE2-CZ2 3.71Å
221E95.7Very high94.8Very high105 Ų10545.5 Ų45.549%0.49123%0.226SC..Hα-helixtrans-59.4-42.5178-70172.817700112.4K217 E218 K223 V224 Q225K217-E221 WeakPolarHBondContact CE-OE1 3.39Å; K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 3.09Å; E218-E221 PolarHBondContact O-N 3.06Å; E221-K223 VanDerWaalsContact C-N 3.28Å; E221-K223 PolarHBondContact O-N 3.17Å; E221-V224 PolarHBondContact O-N 2.97Å; E221-Q225 WeakPolarHBondContact O-CB 3.33Å; E221-Q225 PolarHBondContact O-N 2.71Å
222E97.4Very high95.6Very high141 Ų14147.3 Ų47.366%0.65924%0.24SC*.Hα-helixtrans-57.5-41173.3-72.5177.9178.400112.4E218 F220 Q225 C226E218-E222 WeakPolarHBondContact O-CG 3.47Å; E218-E222 PolarHBondContact O-N 2.84Å; F220-E222 PolarHBondContact O-N 3.38Å; E222-Q225 PolarHBondContact O-N 3.47Å; E222-C226 PolarHBondContact O-N 3.05Å
223K97.7Very high96Very high53 Ų5354 Ų5423%0.2327%0.272CS..Hα-helixtrans-73.4-36.7179.3-71.8174164.7-63.80112.4W39 K219 F220 E221 Q225 C226 F227 V354 V355W39-K223 HydrophobicContact CB-CD 4.33Å; W39-K223 VanDerWaalsContact CB-CE 3.41Å; W39-K223 HydrophobicContact CD2-CD 3.83Å; W39-K223 HydrophobicContact CE3-CD 4.4Å; W39-K223 HydrophobicContact CG-CD 3.81Å; K219-K223 VanDerWaalsContact O-CG 3.25Å; K219-K223 WeakPolarHBondContact O-CG 3.44Å; K219-K223 PolarHBondContact O-N 3.32Å; F220-K223 WeakPolarHBondContact O-CB 3.34Å; F220-K223 PolarHBondContact O-N 3.11Å; E221-K223 VanDerWaalsContact C-N 3.28Å; E221-K223 PolarHBondContact O-N 3.17Å; K223-Q225 VanDerWaalsContact C-N 3.33Å; K223-C226 VanDerWaalsContact O-CB 3.32Å; K223-C226 WeakPolarHBondContact O-CB 3.17Å; K223-C226 PolarHBondContact O-N 2.91Å; K223-F227 WeakPolarHBondContact O-CD2 3.47Å; K223-V354 WeakPolarHBondContact CD-O 3.45Å; K223-V354 PolarHBondContact NZ-O 3.05Å; K223-V355 HydrophobicContact CB-CG2 3.55Å
224V97.8Very high96.4Very high11 Ų1153.5 Ų53.57%0.06727%0.266CS..Hα-helixtrans-61.6-43.4170.91730000110.2F220 E221 C226 F227 V228 K251 I255F220-V224 HydrophobicContact CD1-CG2 4.02Å; F220-V224 HydrophobicContact CD2-CG2 4.45Å; F220-V224 HydrophobicContact CE1-CG2 3.64Å; F220-V224 HydrophobicContact CE2-CG2 4.12Å; F220-V224 HydrophobicContact CG-CG2 4.42Å; F220-V224 HydrophobicContact CZ-CG2 3.7Å; F220-V224 WeakPolarHBondContact O-CG2 3.28Å; F220-V224 PolarHBondContact O-N 2.6Å; E221-V224 PolarHBondContact O-N 2.97Å; V224-C226 PolarHBondContact O-N 3.24Å; V224-F227 WeakPolarHBondContact O-CB 3.48Å; V224-F227 PolarHBondContact O-N 2.92Å; V224-V228 HydrophobicContact CG1-CG2 4.42Å; V224-V228 PolarHBondContact O-N 3.39Å; V224-K251 HydrophobicContact CG1-CB 4.19Å; V224-K251 HydrophobicContact CG1-CD 3.85Å; V224-K251 HydrophobicContact CG1-CG 4.38Å; V224-I255 HydrophobicContact CB-CD1 4.44Å; V224-I255 HydrophobicContact CG1-CD1 4.2Å; V224-I255 HydrophobicContact CG2-CD1 3.69Å
225Q98.4Very high96.8Very high88 Ų8852.4 Ų52.441%0.41127%0.265SS..Hα-helixtrans-59.7-34.9178.1-170.760.350.400112.3E221 E222 K223 F227 V228 D229E221-Q225 WeakPolarHBondContact O-CB 3.33Å; E221-Q225 PolarHBondContact O-N 2.71Å; E222-Q225 PolarHBondContact O-N 3.47Å; K223-Q225 VanDerWaalsContact C-N 3.33Å; Q225-F227 VanDerWaalsContact C-N 3.29Å; Q225-F227 PolarHBondContact O-N 2.96Å; Q225-V228 PolarHBondContact O-N 3.01Å; Q225-D229 PolarHBondContact NE2-OD1 3.35Å; Q225-D229 PolarHBondContact O-N 3.5Å
226C98.5Very high97Very high21 Ų2150.5 Ų50.514%0.14225%0.249CC..Hα-helixtrans-55.7-44.8172.6-169.80000111.9E222 K223 V224 D229 Q230 C353E222-C226 PolarHBondContact O-N 3.05Å; K223-C226 VanDerWaalsContact O-CB 3.32Å; K223-C226 WeakPolarHBondContact O-CB 3.17Å; K223-C226 PolarHBondContact O-N 2.91Å; V224-C226 PolarHBondContact O-N 3.24Å; C226-D229 PolarHBondContact O-N 3.41Å; C226-Q230 WeakPolarHBondContact O-CB 3.26Å; C226-Q230 PolarHBondContact O-N 2.97Å; C226-C353 HydrophobicContact CB-CB 3.79Å; C226-C353 WeakPolarHBondContact CB-SG 3.48Å; C226-C353 PolarHBondContact O-SG 3.18Å; C226-C353 WeakPolarHBondContact SG-CA 3.37Å; C226-C353 WeakPolarHBondContact SG-CB 3.33Å; C226-C353 CovalentContact SG-SG 2.05Å; C226-C353 PolarHBondContact SG-SG 2.94Å
227F98.5Very high97Very high2 Ų255.5 Ų55.51%0.00928%0.281CS..Hα-helixtrans-67.5-42.1177.6-75.2-69.9000112.2K223 V224 Q225 D229 Q230 Y231 I255 N258 N331 C353 V355K223-F227 WeakPolarHBondContact O-CD2 3.47Å; V224-F227 WeakPolarHBondContact O-CB 3.48Å; V224-F227 PolarHBondContact O-N 2.92Å; Q225-F227 VanDerWaalsContact C-N 3.29Å; Q225-F227 PolarHBondContact O-N 2.96Å; F227-D229 VanDerWaalsContact C-N 3.31Å; F227-D229 PolarHBondContact O-N 3.22Å; F227-Q230 PolarHBondContact O-N 2.74Å; F227-Y231 HydrophobicContact CD1-CD2 4.43Å; F227-Y231 AromaticContact CD1-CE2 3.98Å; F227-Y231 HydrophobicContact CD1-CE2 3.98Å; F227-Y231 WeakPolarHBondContact O-CD2 3.49Å; F227-Y231 PolarHBondContact O-N 2.95Å; F227-I255 HydrophobicContact CD2-CG1 4.03Å; F227-I255 HydrophobicContact CE2-CG1 4.43Å; F227-N258 HydrophobicContact CE1-CB 3.82Å; F227-N258 WeakPolarHBondContact CE1-ND2 3.45Å; F227-N258 WeakPolarHBondContact CE1-OD1 3.46Å; F227-N258 HydrophobicContact CZ-CB 3.76Å; F227-N331 WeakPolarHBondContact CE1-ND2 3.43Å; F227-C353 HydrophobicContact CD1-CB 3.76Å; F227-C353 HydrophobicContact CD2-CB 4.13Å; F227-C353 HydrophobicContact CE1-CB 3.58Å; F227-C353 HydrophobicContact CE2-CB 3.98Å; F227-C353 HydrophobicContact CG-CB 4.03Å; F227-C353 HydrophobicContact CZ-CB 3.71Å; F227-C353 WeakPolarHBondContact CZ-O 3.49Å; F227-V355 HydrophobicContact CD2-CG2 4.01Å; F227-V355 HydrophobicContact CE2-CB 4.3Å; F227-V355 HydrophobicContact CE2-CG2 3.62Å
228V98.6Very high97.2Very high9 Ų958.8 Ų58.86%0.05530%0.297CS..Hα-helixtrans-55.6-49.5174.4172.70000110.2V224 Q225 S232 E248 K251V224-V228 HydrophobicContact CG1-CG2 4.42Å; V224-V228 PolarHBondContact O-N 3.39Å; Q225-V228 PolarHBondContact O-N 3.01Å; V228-S232 VanDerWaalsContact O-CB 3.26Å; V228-S232 WeakPolarHBondContact O-CB 3.34Å; V228-S232 PolarHBondContact O-N 2.71Å; V228-S232 VanDerWaalsContact O-N 3.1Å; V228-S232 PolarHBondContact O-OG 2.84Å; V228-E248 HydrophobicContact CG1-CB 4.35Å; V228-K251 HydrophobicContact CG2-CB 3.94Å; V228-K251 HydrophobicContact CG2-CD 4.06Å
229D98.5Very high97.3Very high67 Ų6755.1 Ų55.136%0.35828%0.281SS..Hα-helixtrans-61.9-52.1178.5-65.4-12.6000110.7Q225 C226 F227 Y231 S232 H233Q225-D229 PolarHBondContact NE2-OD1 3.35Å; Q225-D229 PolarHBondContact O-N 3.5Å; C226-D229 PolarHBondContact O-N 3.41Å; F227-D229 VanDerWaalsContact C-N 3.31Å; F227-D229 PolarHBondContact O-N 3.22Å; D229-Y231 PolarHBondContact O-N 3.3Å; D229-S232 PolarHBondContact O-N 2.75Å; D229-H233 PolarHBondContact O-CE1 3.2Å; D229-H233 PolarHBondContact O-ND1 3.09Å
230Q98.5Very high97.1Very high28 Ų2852.8 Ų52.813%0.13128%0.28CS..Hα-helixtrans-56.6-51.9-177.3-177.9-169.412.600111.7C226 F227 S232 H233 G327 N331C226-Q230 WeakPolarHBondContact O-CB 3.26Å; C226-Q230 PolarHBondContact O-N 2.97Å; F227-Q230 PolarHBondContact O-N 2.74Å; Q230-S232 VanDerWaalsContact C-N 3.3Å; Q230-S232 PolarHBondContact O-N 3.16Å; Q230-H233 PolarHBondContact O-N 2.9Å; Q230-G327 PolarHBondContact NE2-O 2.64Å; Q230-N331 PolarHBondContact NE2-ND2 2.67Å; Q230-N331 PolarHBondContact NE2-OD1 3.29Å; Q230-N331 PolarHBondContact OE1-ND2 3.05Å
231Y98.4Very high96.8Very high0 Ų060 Ų600%032%0.318CS..Hα-helixtrans-72.1-27.6-174.6-80.4-107.6000112.1F227 D229 H233 F234 V245 N254 N258 A319 T328F227-Y231 HydrophobicContact CD1-CD2 4.43Å; F227-Y231 AromaticContact CD1-CE2 3.98Å; F227-Y231 HydrophobicContact CD1-CE2 3.98Å; F227-Y231 WeakPolarHBondContact O-CD2 3.49Å; F227-Y231 PolarHBondContact O-N 2.95Å; D229-Y231 PolarHBondContact O-N 3.3Å; Y231-H233 PolarHBondContact O-N 3.26Å; Y231-H233 VanDerWaalsContact O-N 3.14Å; Y231-F234 AromaticContact CD1-CD2 3.89Å; Y231-F234 HydrophobicContact CD1-CD2 3.89Å; Y231-F234 AromaticContact CD1-CE2 3.8Å; Y231-F234 HydrophobicContact CD1-CE2 3.8Å; Y231-F234 HydrophobicContact CD2-CE2 4.41Å; Y231-F234 HydrophobicContact CE1-CE2 4.13Å; Y231-F234 HydrophobicContact CG-CD2 4.14Å; Y231-F234 AromaticContact CG-CE2 3.99Å; Y231-F234 HydrophobicContact CG-CE2 3.99Å; Y231-F234 WeakPolarHBondContact O-CB 3.31Å; Y231-F234 PolarHBondContact O-N 3.29Å; Y231-V245 WeakPolarHBondContact O-CB 2.75Å; Y231-N254 HydrophobicContact CD1-CB 4.4Å; Y231-N254 VanDerWaalsContact CD1-CG 3.4Å; Y231-N254 VanDerWaalsContact CD1-ND2 3.31Å; Y231-N254 WeakPolarHBondContact CD1-ND2 3.34Å; Y231-N254 VanDerWaalsContact CD1-OD1 3.26Å; Y231-N254 WeakPolarHBondContact CD1-OD1 3.42Å; Y231-N254 HydrophobicContact CD2-CB 4.11Å; Y231-N254 HydrophobicContact CE1-CB 4.08Å; Y231-N254 WeakPolarHBondContact CE1-OD1 3.31Å; Y231-N254 HydrophobicContact CE2-CB 3.79Å; Y231-N254 HydrophobicContact CG-CB 4.4Å; Y231-N258 PolarHBondContact OH-ND2 3.48Å; Y231-N258 VanDerWaalsContact OH-ND2 3.15Å; Y231-A319 HydrophobicContact CD1-CB 3.96Å; Y231-A319 HydrophobicContact CE1-CB 4.03Å; Y231-T328 PolarHBondContact OH-N 3.29Å
232S98.1Very high96.5Very high46 Ų4662.3 Ų62.332%0.32233%0.334SS..Hα-helixtrans-65.9-12.3174.6-58.30000114.2V228 D229 Q230 C244 V245 G247V228-S232 VanDerWaalsContact O-CB 3.26Å; V228-S232 WeakPolarHBondContact O-CB 3.34Å; V228-S232 PolarHBondContact O-N 2.71Å; V228-S232 VanDerWaalsContact O-N 3.1Å; V228-S232 PolarHBondContact O-OG 2.84Å; D229-S232 PolarHBondContact O-N 2.75Å; Q230-S232 VanDerWaalsContact C-N 3.3Å; Q230-S232 PolarHBondContact O-N 3.16Å; S232-C244 WeakPolarHBondContact O-CB 3.46Å; S232-V245 WeakPolarHBondContact CA-O 3.35Å; S232-G247 WeakPolarHBondContact OG-CA 3.36Å; S232-G247 PolarHBondContact OG-N 2.84Å
233H97Very high96.4Very high148 Ų14856.8 Ų56.869%0.68531%0.31SS*.THydrogen-bonded Turntrans-85.9-5173.4-69.782.8000113.7D229 Q230 Y231 C235D229-H233 PolarHBondContact O-CE1 3.2Å; D229-H233 PolarHBondContact O-ND1 3.09Å; Q230-H233 PolarHBondContact O-N 2.9Å; Y231-H233 PolarHBondContact O-N 3.26Å; Y231-H233 VanDerWaalsContact O-N 3.14Å; H233-C235 PolarHBondContact O-N 3.01Å
234F97.3Very high96.4Very high29 Ų2955.6 Ų55.613%0.12731%0.308CS..  trans-84.498.9177.5-65.9-44.6000111.4Y231 C244 V245 N323 V326Y231-F234 AromaticContact CD1-CD2 3.89Å; Y231-F234 HydrophobicContact CD1-CD2 3.89Å; Y231-F234 AromaticContact CD1-CE2 3.8Å; Y231-F234 HydrophobicContact CD1-CE2 3.8Å; Y231-F234 HydrophobicContact CD2-CE2 4.41Å; Y231-F234 HydrophobicContact CE1-CE2 4.13Å; Y231-F234 HydrophobicContact CG-CD2 4.14Å; Y231-F234 AromaticContact CG-CE2 3.99Å; Y231-F234 HydrophobicContact CG-CE2 3.99Å; Y231-F234 WeakPolarHBondContact O-CB 3.31Å; Y231-F234 PolarHBondContact O-N 3.29Å; F234-C244 CarbonylContact O-C 3.52Å; F234-C244 VanDerWaalsContact O-CA 3.24Å; F234-C244 WeakPolarHBondContact O-CA 3.39Å; F234-C244 WeakPolarHBondContact O-CB 3.09Å; F234-V245 HydrophobicContact CB-CB 4.35Å; F234-V245 HydrophobicContact CB-CG2 3.94Å; F234-V245 PolarHBondContact O-N 3.32Å; F234-N323 WeakPolarHBondContact CB-ND2 3.21Å; F234-N323 WeakPolarHBondContact CD1-ND2 3.35Å; F234-N323 HydrophobicContact CD2-CB 3.85Å; F234-N323 WeakPolarHBondContact CD2-ND2 3.4Å; F234-N323 HydrophobicContact CE2-CB 4.25Å; F234-N323 HydrophobicContact CG-CB 4.24Å; F234-N323 WeakPolarHBondContact CG-ND2 3.32Å; F234-V326 HydrophobicContact CE1-CG1 4.06Å; F234-V326 HydrophobicContact CZ-CG1 4.14Å
235C97Very high96.4Very high62 Ų6255.3 Ų55.342%0.41931%0.306SS..BIsolated β-bridgetrans-108.7154.4-175.5-50.50000113.7H233 V243 C244H233-C235 PolarHBondContact O-N 3.01Å; C235-V243 CarbonylContact C-O 3.55Å; C235-V243 WeakPolarHBondContact CA-O 3.25Å; C235-C244 HydrophobicContact CB-CB 3.96Å; C235-C244 WeakPolarHBondContact CB-SG 3.34Å; C235-C244 WeakPolarHBondContact SG-CB 3.17Å; C235-C244 CovalentContact SG-SG 2.04Å; C235-C244 PolarHBondContact SG-SG 2.97Å
236Y97Very high96.4Very high15 Ų1554.8 Ų54.86%0.05930%0.302CS..  trans-123.485.8-179-61-86.6000110.4E238 L239 V243 V245 L309 I313 P320 N323Y236-E238 VanDerWaalsContact C-OE2 3.31Å; Y236-E238 WeakPolarHBondContact CA-OE2 3.4Å; Y236-E238 PolarHBondContact O-N 2.92Å; Y236-E238 VanDerWaalsContact O-N 3.09Å; Y236-L239 PolarHBondContact O-N 3.35Å; Y236-V243 PolarHBondContact N-O 3.46Å; Y236-V245 HydrophobicContact CE2-CG2 3.9Å; Y236-L309 HydrophobicContact CD1-CD2 3.66Å; Y236-L309 HydrophobicContact CE1-CD1 4.41Å; Y236-L309 HydrophobicContact CE1-CD2 3.94Å; Y236-L309 HydrophobicContact CG-CD2 4.04Å; Y236-I313 HydrophobicContact CD2-CD1 3.38Å; Y236-I313 HydrophobicContact CD2-CG1 4.44Å; Y236-I313 HydrophobicContact CE2-CD1 3.64Å; Y236-I313 HydrophobicContact CE2-CG1 4.26Å; Y236-I313 HydrophobicContact CG-CD1 4.22Å; Y236-P320 HydrophobicContact CE2-CG 4.33Å; Y236-P320 WeakPolarHBondContact OH-CB 3.44Å; Y236-P320 WeakPolarHBondContact OH-CG 3.39Å; Y236-N323 PolarHBondContact OH-OD1 3.09Å
237P95.1Very high96.3Very high106 Ų10653.9 Ų53.969%0.68830%0.296SS*.G310 helixtrans-56.2-26.7-178.6-25.234.9000114L239 G240P237-L239 PolarHBondContact O-N 3.1Å; P237-G240 PolarHBondContact O-N 3.33Å
238E94.3Very high96.3Very high110 Ų11058.2 Ų58.251%0.51432%0.317SS..G310 helixtrans-67.5-11.5176.767.2-91-14600114.6Y236 N306Y236-E238 VanDerWaalsContact C-OE2 3.31Å; Y236-E238 WeakPolarHBondContact CA-OE2 3.4Å; Y236-E238 PolarHBondContact O-N 2.92Å; Y236-E238 VanDerWaalsContact O-N 3.09Å; E238-N306 PolarHBondContact O-ND2 2.92Å
239L96.2Very high96.3Very high36 Ų3661.7 Ų61.719%0.18834%0.335CS..G310 helixtrans-100.2-14.4175.1-58.1-173.5000113.1Y236 P237 V243 N306 L309 Q310 I313Y236-L239 PolarHBondContact O-N 3.35Å; P237-L239 PolarHBondContact O-N 3.1Å; L239-V243 HydrophobicContact CB-CB 4.01Å; L239-V243 HydrophobicContact CB-CG1 3.86Å; L239-V243 HydrophobicContact CB-CG2 4.1Å; L239-V243 HydrophobicContact CD1-CG1 3.86Å; L239-V243 HydrophobicContact CG-CG1 4.49Å; L239-N306 HydrophobicContact CD2-CB 3.52Å; L239-N306 WeakPolarHBondContact CD2-O 3.28Å; L239-L309 HydrophobicContact CD1-CB 4.2Å; L239-L309 HydrophobicContact CD1-CD2 3.92Å; L239-L309 HydrophobicContact CD1-CG 3.82Å; L239-L309 HydrophobicContact CG-CD2 4.43Å; L239-Q310 HydrophobicContact CD1-CB 4.22Å; L239-I313 HydrophobicContact CD1-CD1 3.72Å
240G93Very high96.3Very high30 Ų3058.7 Ų58.731%0.30932%0.319SS..  trans132.2171-177.600000112.6P237 N242P237-G240 PolarHBondContact O-N 3.33Å; G240-N242 PolarHBondContact O-N 2.89Å
241D89.9Confident96.2Very high153 Ų15359.3 Ų59.382%0.81832%0.321SS*.THydrogen-bonded Turntrans-64135.1177.7-63.9-29.1000110.5V243D241-V243 PolarHBondContact O-N 3.36Å
242N88.7Confident96.2Very high154 Ų15459.8 Ų59.882%0.82433%0.326SS*.THydrogen-bonded Turntrans6121.8177.1-51.4-43.8000115.7G240 C244G240-N242 PolarHBondContact O-N 2.89Å; N242-C244 PolarHBondContact O-N 3.16Å
243V96Very high96.2Very high25 Ų2558.4 Ų58.415%0.15231%0.314CS..  trans-80.898.6169.2-177.30000109.1C235 Y236 L239 D241 I313C235-V243 CarbonylContact C-O 3.55Å; C235-V243 WeakPolarHBondContact CA-O 3.25Å; Y236-V243 PolarHBondContact N-O 3.46Å; L239-V243 HydrophobicContact CB-CB 4.01Å; L239-V243 HydrophobicContact CB-CG1 3.86Å; L239-V243 HydrophobicContact CB-CG2 4.1Å; L239-V243 HydrophobicContact CD1-CG1 3.86Å; L239-V243 HydrophobicContact CG-CG1 4.49Å; D241-V243 PolarHBondContact O-N 3.36Å; V243-I313 HydrophobicContact CG1-CD1 3.91Å; V243-I313 HydrophobicContact CG1-CG2 4.46Å
244C97.5Very high96.3Very high28 Ų2851.3 Ų51.319%0.18928%0.282CS..BIsolated β-bridgetrans-122.7158.8-179.6-43.40000111.6S232 F234 C235 N242 K246 I313S232-C244 WeakPolarHBondContact O-CB 3.46Å; F234-C244 CarbonylContact O-C 3.52Å; F234-C244 VanDerWaalsContact O-CA 3.24Å; F234-C244 WeakPolarHBondContact O-CA 3.39Å; F234-C244 WeakPolarHBondContact O-CB 3.09Å; C235-C244 HydrophobicContact CB-CB 3.96Å; C235-C244 WeakPolarHBondContact CB-SG 3.34Å; C235-C244 WeakPolarHBondContact SG-CB 3.17Å; C235-C244 CovalentContact SG-SG 2.04Å; C235-C244 PolarHBondContact SG-SG 2.97Å; N242-C244 PolarHBondContact O-N 3.16Å; C244-K246 PolarHBondContact O-N 2.99Å; C244-I313 VanDerWaalsContact O-CG2 3.24Å; C244-I313 WeakPolarHBondContact O-CG2 3.21Å
245V98Very high96.4Very high4 Ų450 Ų502%0.02428%0.276CS..  trans-54.8134.5172.2174.60000108.8Y231 S232 F234 Y236 G247 T250 A319Y231-V245 WeakPolarHBondContact O-CB 2.75Å; S232-V245 WeakPolarHBondContact CA-O 3.35Å; F234-V245 HydrophobicContact CB-CB 4.35Å; F234-V245 HydrophobicContact CB-CG2 3.94Å; F234-V245 PolarHBondContact O-N 3.32Å; Y236-V245 HydrophobicContact CE2-CG2 3.9Å; V245-G247 PolarHBondContact O-N 3.14Å; V245-G247 VanDerWaalsContact O-N 3.12Å; V245-T250 HydrophobicContact CG1-CG2 3.95Å; V245-A319 HydrophobicContact CG1-CB 4.32Å
246K97.5Very high96.5Very high78 Ų7847.1 Ų47.134%0.33926%0.256SS..  trans-81.192.1175-61.6179.4-171.1174.80108.3C244 E248 N249 T250 D314C244-K246 PolarHBondContact O-N 2.99Å; K246-E248 PolarHBondContact O-N 3.24Å; K246-N249 HydrophobicContact CB-CB 3.97Å; K246-N249 WeakPolarHBondContact CD-ND2 3.37Å; K246-N249 PolarHBondContact O-N 3.03Å; K246-T250 PolarHBondContact O-N 3.46Å; K246-T250 VanDerWaalsContact O-N 3.1Å; K246-T250 PolarHBondContact O-OG1 3.01Å; K246-T250 VanDerWaalsContact O-OG1 3.06Å; K246-D314 WeakPolarHBondContact CE-OD1 3.37Å; K246-D314 IonicContact NZ-OD1 2.98Å; K246-D314 PolarHBondContact NZ-OD1 2.85Å
247G98.1Very high96.5Very high1 Ų146.6 Ų46.61%0.0126%0.255CS..Hα-helixtrans-55.4-34.3-177.700000112.9S232 V245 N249 T250 K251S232-G247 WeakPolarHBondContact OG-CA 3.36Å; S232-G247 PolarHBondContact OG-N 2.84Å; V245-G247 PolarHBondContact O-N 3.14Å; V245-G247 VanDerWaalsContact O-N 3.12Å; G247-N249 PolarHBondContact O-N 3.02Å; G247-T250 WeakPolarHBondContact CA-OG1 3.45Å; G247-T250 PolarHBondContact O-N 2.76Å; G247-T250 PolarHBondContact O-OG1 2.92Å; G247-K251 WeakPolarHBondContact O-CB 3.16Å; G247-K251 PolarHBondContact O-N 3.39Å
248E97.8Very high96.7Very high94 Ų9441.7 Ų41.744%0.43922%0.223SC..Hα-helixtrans-63.2-40.7175.9-171.959.1-154.300112.7V228 K246 T250 K251V228-E248 HydrophobicContact CG1-CB 4.35Å; K246-E248 PolarHBondContact O-N 3.24Å; E248-T250 VanDerWaalsContact C-N 3.32Å; E248-K251 WeakPolarHBondContact O-CD 3.31Å; E248-K251 WeakPolarHBondContact O-CE 3.34Å; E248-K251 WeakPolarHBondContact O-CG 3.43Å; E248-K251 IonicContact OE1-NZ 3.18Å; E248-K251 PolarHBondContact OE1-NZ 2.94Å
249N97.5Very high96.9Very high81 Ų8136.5 Ų36.543%0.43320%0.199SC..Hα-helixtrans-75.2-26.3179-67.66.6000112.1K246 G247K246-N249 HydrophobicContact CB-CB 3.97Å; K246-N249 WeakPolarHBondContact CD-ND2 3.37Å; K246-N249 PolarHBondContact O-N 3.03Å; G247-N249 PolarHBondContact O-N 3.02Å
250T98.5Very high97Very high4 Ų434.8 Ų34.83%0.02519%0.19CC..Hα-helixtrans-102.3-1-172.557.90000114.4V245 K246 G247 E248 G252 E253 N254 E317 A319V245-T250 HydrophobicContact CG1-CG2 3.95Å; K246-T250 PolarHBondContact O-N 3.46Å; K246-T250 VanDerWaalsContact O-N 3.1Å; K246-T250 PolarHBondContact O-OG1 3.01Å; K246-T250 VanDerWaalsContact O-OG1 3.06Å; G247-T250 WeakPolarHBondContact CA-OG1 3.45Å; G247-T250 PolarHBondContact O-N 2.76Å; G247-T250 PolarHBondContact O-OG1 2.92Å; E248-T250 VanDerWaalsContact C-N 3.32Å; T250-G252 PolarHBondContact O-N 2.87Å; T250-E253 PolarHBondContact O-N 3.4Å; T250-N254 VanDerWaalsContact C-ND2 3.33Å; T250-N254 WeakPolarHBondContact CB-ND2 3.34Å; T250-N254 WeakPolarHBondContact O-CB 2.99Å; T250-N254 PolarHBondContact O-N 2.64Å; T250-N254 PolarHBondContact O-ND2 2.78Å; T250-N254 PolarHBondContact O-OD1 3.01Å; T250-N254 PolarHBondContact OG1-ND2 3.01Å; T250-E317 WeakPolarHBondContact CA-O 3.34Å; T250-E317 WeakPolarHBondContact CB-O 3.43Å; T250-E317 WeakPolarHBondContact CG2-O 3.48Å; T250-A319 HydrophobicContact CG2-CB 4.49Å
251K98Very high97.3Very high42 Ų4233.5 Ų33.518%0.18318%0.176CC..Hα-helixtrans-56.7-42.2-171.964-169.3176.8175.40113.8D178 V224 V228 G247 E248 N254 I255D178-K251 WeakPolarHBondContact OD2-CE 3.5Å; D178-K251 IonicContact OD2-NZ 3.51Å; V224-K251 HydrophobicContact CG1-CB 4.19Å; V224-K251 HydrophobicContact CG1-CD 3.85Å; V224-K251 HydrophobicContact CG1-CG 4.38Å; V228-K251 HydrophobicContact CG2-CB 3.94Å; V228-K251 HydrophobicContact CG2-CD 4.06Å; G247-K251 WeakPolarHBondContact O-CB 3.16Å; G247-K251 PolarHBondContact O-N 3.39Å; E248-K251 WeakPolarHBondContact O-CD 3.31Å; E248-K251 WeakPolarHBondContact O-CE 3.34Å; E248-K251 WeakPolarHBondContact O-CG 3.43Å; E248-K251 IonicContact OE1-NZ 3.18Å; E248-K251 PolarHBondContact OE1-NZ 2.94Å; K251-N254 PolarHBondContact O-N 3.3Å; K251-I255 WeakPolarHBondContact O-CB 3.32Å; K251-I255 VanDerWaalsContact O-CD1 3.28Å; K251-I255 WeakPolarHBondContact O-CD1 3.28Å; K251-I255 WeakPolarHBondContact O-CG1 3.41Å; K251-I255 PolarHBondContact O-N 3.16Å
252G97.9Very high97.7Very high10 Ų1027.3 Ų27.310%0.10314%0.142CC..Hα-helixtrans-59.8-51.9179.300000112.1D178 T250 N254 I255 A256D178-G252 WeakPolarHBondContact OD1-CA 3.26Å; D178-G252 PolarHBondContact OD1-N 3.46Å; T250-G252 PolarHBondContact O-N 2.87Å; G252-N254 PolarHBondContact O-N 3.49Å; G252-I255 PolarHBondContact O-N 3.46Å; G252-A256 WeakPolarHBondContact O-CB 3.26Å; G252-A256 PolarHBondContact O-N 3.15Å
253E98.7Very high98.1Very high16 Ų1620 Ų208%0.07510%0.102CC..Hα-helixtrans-61.1-40.8175.7-65.4-57.2141.700113H170 H174 T250 A256 D257 E317 H318 R324H170-E253 IonicContact CE1-OE2 2.84Å; H170-E253 PolarHBondContact CE1-OE2 3.2Å; H170-E253 IonicContact NE2-OE2 2.94Å; H170-E253 PolarHBondContact NE2-OE2 2.85Å; H174-E253 IonicContact CE1-OE1 3.68Å; H174-E253 PolarHBondContact CE1-OE1 2.95Å; H174-E253 IonicContact CE1-OE2 3.32Å; H174-E253 IonicContact NE2-OE1 3.53Å; H174-E253 PolarHBondContact NE2-OE1 3.41Å; H174-E253 IonicContact NE2-OE2 2.78Å; T250-E253 PolarHBondContact O-N 3.4Å; E253-A256 PolarHBondContact O-N 3.44Å; E253-D257 PolarHBondContact O-N 3.12Å; E253-E317 WeakPolarHBondContact CB-O 3.28Å; E253-E317 HydrophobicContact CG-CB 4.34Å; E253-E317 HydrophobicContact CG-CG 3.96Å; E253-E317 WeakPolarHBondContact CG-O 3.45Å; E253-H318 HydrophobicContact CG-CB 4.45Å; E253-H318 VanDerWaalsContact CG-CD2 3.47Å; E253-H318 WeakPolarHBondContact CG-CD2 3.43Å; E253-H318 IonicContact OE1-CD2 2.95Å; E253-H318 IonicContact OE1-NE2 3.96Å; E253-H318 IonicContact OE2-CD2 3.32Å; E253-H318 PolarHBondContact OE2-CD2 3.29Å; E253-H318 IonicContact OE2-NE2 2.98Å; E253-H318 PolarHBondContact OE2-NE2 3.42Å; E253-R324 IonicContact OE2-NH2 3.38Å; E253-R324 PolarHBondContact OE2-NH2 2.95Å
254N98.7Very high98.3Very high0 Ų018.8 Ų18.80%010%0.095CC..Hα-helixtrans-66.8-41.5178.9-61-26.3000111.1Y231 T250 K251 G252 A256 N258Y231-N254 HydrophobicContact CD1-CB 4.4Å; Y231-N254 VanDerWaalsContact CD1-CG 3.4Å; Y231-N254 VanDerWaalsContact CD1-ND2 3.31Å; Y231-N254 WeakPolarHBondContact CD1-ND2 3.34Å; Y231-N254 VanDerWaalsContact CD1-OD1 3.26Å; Y231-N254 WeakPolarHBondContact CD1-OD1 3.42Å; Y231-N254 HydrophobicContact CD2-CB 4.11Å; Y231-N254 HydrophobicContact CE1-CB 4.08Å; Y231-N254 WeakPolarHBondContact CE1-OD1 3.31Å; Y231-N254 HydrophobicContact CE2-CB 3.79Å; Y231-N254 HydrophobicContact CG-CB 4.4Å; T250-N254 VanDerWaalsContact C-ND2 3.33Å; T250-N254 WeakPolarHBondContact CB-ND2 3.34Å; T250-N254 WeakPolarHBondContact O-CB 2.99Å; T250-N254 PolarHBondContact O-N 2.64Å; T250-N254 PolarHBondContact O-ND2 2.78Å; T250-N254 PolarHBondContact O-OD1 3.01Å; T250-N254 PolarHBondContact OG1-ND2 3.01Å; K251-N254 PolarHBondContact O-N 3.3Å; G252-N254 PolarHBondContact O-N 3.49Å; N254-A256 VanDerWaalsContact C-N 3.31Å; N254-N258 WeakPolarHBondContact O-CB 3.44Å; N254-N258 PolarHBondContact O-N 2.95Å; N254-N258 VanDerWaalsContact O-N 3.11Å; N254-N258 PolarHBondContact O-ND2 2.88Å
255I98.5Very high98.3Very high2 Ų217.9 Ų17.91%0.019%0.088CC..Hα-helixtrans-61.1-45.1173.7-67157.4000109.5T173 D177 V224 F227 K251 G252 N258 G259T173-I255 HydrophobicContact CG2-CG2 4.11Å; D177-I255 HydrophobicContact CB-CB 4.36Å; D177-I255 HydrophobicContact CB-CD1 4.5Å; D177-I255 HydrophobicContact CB-CG2 4.25Å; V224-I255 HydrophobicContact CB-CD1 4.44Å; V224-I255 HydrophobicContact CG1-CD1 4.2Å; V224-I255 HydrophobicContact CG2-CD1 3.69Å; F227-I255 HydrophobicContact CD2-CG1 4.03Å; F227-I255 HydrophobicContact CE2-CG1 4.43Å; K251-I255 WeakPolarHBondContact O-CB 3.32Å; K251-I255 VanDerWaalsContact O-CD1 3.28Å; K251-I255 WeakPolarHBondContact O-CD1 3.28Å; K251-I255 WeakPolarHBondContact O-CG1 3.41Å; K251-I255 PolarHBondContact O-N 3.16Å; G252-I255 PolarHBondContact O-N 3.46Å; I255-N258 PolarHBondContact O-N 3.11Å; I255-G259 PolarHBondContact O-N 3.02Å
256A98.7Very high98.3Very high0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-64-43.1-179.300000112.9H170 T173 G252 E253 N254 N258 G260H170-A256 WeakPolarHBondContact CE1-CB 3.43Å; H170-A256 VanDerWaalsContact ND1-C 3.29Å; H170-A256 VanDerWaalsContact ND1-CB 3.31Å; H170-A256 WeakPolarHBondContact ND1-CB 3.44Å; T173-A256 HydrophobicContact CG2-CB 4.44Å; G252-A256 WeakPolarHBondContact O-CB 3.26Å; G252-A256 PolarHBondContact O-N 3.15Å; E253-A256 PolarHBondContact O-N 3.44Å; N254-A256 VanDerWaalsContact C-N 3.31Å; A256-N258 PolarHBondContact O-N 3.5Å; A256-G260 WeakPolarHBondContact O-CA 3.45Å; A256-G260 PolarHBondContact O-N 3.26Å
257D98.8Very high98.3Very high5 Ų515.5 Ų15.53%0.0278%0.083CC..Hα-helixtrans-59.6-47.1173.4-74.6-16.1000112.5H170 E253 I261 R324 T328H170-D257 IonicContact CE1-OD1 3.12Å; H170-D257 PolarHBondContact CE1-OD1 2.84Å; H170-D257 VanDerWaalsContact CE1-OD1 3.32Å; H170-D257 PolarHBondContact ND1-N 2.92Å; H170-D257 IonicContact ND1-OD1 3.21Å; H170-D257 PolarHBondContact ND1-OD1 2.82Å; E253-D257 PolarHBondContact O-N 3.12Å; D257-I261 PolarHBondContact O-N 2.94Å; D257-I261 VanDerWaalsContact O-N 3.15Å; D257-R324 IonicContact OD1-CZ 3.88Å; D257-R324 IonicContact OD1-NE 2.7Å; D257-R324 PolarHBondContact OD1-NE 2.88Å; D257-R324 IonicContact OD1-NH2 3.46Å; D257-R324 PolarHBondContact OD1-NH2 2.69Å; D257-R324 WeakPolarHBondContact OD2-CB 3.44Å; D257-R324 WeakPolarHBondContact OD2-CG 3.32Å; D257-R324 IonicContact OD2-CZ 2.68Å; D257-R324 IonicContact OD2-NE 3.24Å; D257-R324 PolarHBondContact OD2-NE 2.92Å; D257-R324 IonicContact OD2-NH2 3.51Å; D257-R324 PolarHBondContact OD2-NH2 2.74Å; D257-T328 WeakPolarHBondContact CB-OG1 3.3Å
258N98.7Very high98.3Very high3 Ų315.4 Ų15.42%0.0168%0.082CC..Hα-helixtrans-70.7-39.1-175.7-80.6-99.8000112.3F227 Y231 N254 I255 A256 K262 T328 N331F227-N258 HydrophobicContact CE1-CB 3.82Å; F227-N258 WeakPolarHBondContact CE1-ND2 3.45Å; F227-N258 WeakPolarHBondContact CE1-OD1 3.46Å; F227-N258 HydrophobicContact CZ-CB 3.76Å; Y231-N258 PolarHBondContact OH-ND2 3.48Å; Y231-N258 VanDerWaalsContact OH-ND2 3.15Å; N254-N258 WeakPolarHBondContact O-CB 3.44Å; N254-N258 PolarHBondContact O-N 2.95Å; N254-N258 VanDerWaalsContact O-N 3.11Å; N254-N258 PolarHBondContact O-ND2 2.88Å; I255-N258 PolarHBondContact O-N 3.11Å; A256-N258 PolarHBondContact O-N 3.5Å; N258-K262 WeakPolarHBondContact O-CD 3.42Å; N258-K262 VanDerWaalsContact O-CG 3.32Å; N258-K262 WeakPolarHBondContact O-CG 3.36Å; N258-T328 PolarHBondContact ND2-OG1 2.89Å; N258-T328 WeakPolarHBondContact OD1-CA 3.48Å; N258-N331 VanDerWaalsContact OD1-CB 3.26Å; N258-N331 WeakPolarHBondContact OD1-CB 3.41Å; N258-N331 PolarHBondContact OD1-ND2 2.89Å
259G98.2Very high98.3Very high1 Ų114.6 Ų14.61%0.018%0.077CC..Hα-helixtrans-70.6-44.4173.700000111.8I255 I261 K262 Q263I255-G259 PolarHBondContact O-N 3.02Å; G259-I261 PolarHBondContact O-N 3.3Å; G259-K262 PolarHBondContact O-N 2.95Å; G259-Q263 VanDerWaalsContact C-NE2 3.26Å; G259-Q263 VanDerWaalsContact O-CG 3.3Å; G259-Q263 WeakPolarHBondContact O-CG 3.4Å; G259-Q263 PolarHBondContact O-N 3.31Å; G259-Q263 PolarHBondContact O-NE2 3.08Å
260G98.5Very high98.2Very high0 Ų013.5 Ų13.50%08%0.08CC..Hα-helixtrans-63.2-43.9-174.100000113.7G169 T173 A256 K262 Q263 S264G169-G260 WeakPolarHBondContact O-CA 3.49Å; T173-G260 PolarHBondContact OG1-N 3.23Å; A256-G260 WeakPolarHBondContact O-CA 3.45Å; A256-G260 PolarHBondContact O-N 3.26Å; G260-K262 VanDerWaalsContact C-N 3.33Å; G260-K262 PolarHBondContact O-N 3.47Å; G260-Q263 PolarHBondContact O-N 2.83Å; G260-S264 WeakPolarHBondContact O-CB 3.25Å; G260-S264 PolarHBondContact O-N 2.83Å
261I98.6Very high98.1Very high2 Ų216.2 Ų16.21%0.019%0.094CC..Hα-helixtrans-65.3-36.8177-160.7176.4000112.1D257 G259 S264 F265 F292 F293 F296 T328 L329 F332D257-I261 PolarHBondContact O-N 2.94Å; D257-I261 VanDerWaalsContact O-N 3.15Å; G259-I261 PolarHBondContact O-N 3.3Å; I261-S264 PolarHBondContact O-N 3.09Å; I261-F265 WeakPolarHBondContact O-CB 3.34Å; I261-F265 PolarHBondContact O-N 3.46Å; I261-F292 HydrophobicContact CD1-CE1 4.23Å; I261-F292 HydrophobicContact CG1-CE1 3.79Å; I261-F292 HydrophobicContact CG1-CZ 4.05Å; I261-F293 HydrophobicContact CD1-CD1 4.11Å; I261-F293 HydrophobicContact CD1-CE1 4.24Å; I261-F296 HydrophobicContact CB-CE2 4.44Å; I261-F296 HydrophobicContact CD1-CB 4.16Å; I261-F296 HydrophobicContact CD1-CD1 3.52Å; I261-F296 HydrophobicContact CD1-CD2 3.81Å; I261-F296 HydrophobicContact CD1-CE1 3.76Å; I261-F296 HydrophobicContact CD1-CE2 4.04Å; I261-F296 HydrophobicContact CD1-CG 3.54Å; I261-F296 HydrophobicContact CD1-CZ 4.02Å; I261-F296 HydrophobicContact CG1-CD2 4.17Å; I261-F296 HydrophobicContact CG1-CE2 4.42Å; I261-F296 HydrophobicContact CG1-CG 4.3Å; I261-T328 HydrophobicContact CB-CG2 4.13Å; I261-T328 HydrophobicContact CD1-CG2 4.18Å; I261-T328 HydrophobicContact CG2-CG2 3.45Å; I261-T328 VanDerWaalsContact CG2-CG2 3.45Å; I261-L329 HydrophobicContact CD1-CD2 3.69Å; I261-F332 HydrophobicContact CD1-CD1 4.29Å; I261-F332 HydrophobicContact CG1-CD1 4.35Å; I261-F332 HydrophobicContact CG1-CE1 4.22Å; I261-F332 HydrophobicContact CG2-CD1 3.82Å; I261-F332 HydrophobicContact CG2-CE1 4.07Å
262K98.2Very high98Very high24 Ų2414.9 Ų14.910%0.1049%0.089CC..Hα-helixtrans-68.4-45-179.8-72.8177.4-174.8178.60111.2L33 N258 G259 G260 S264 F265 A266 F332 V354L33-K262 HydrophobicContact CD1-CB 4.16Å; N258-K262 WeakPolarHBondContact O-CD 3.42Å; N258-K262 VanDerWaalsContact O-CG 3.32Å; N258-K262 WeakPolarHBondContact O-CG 3.36Å; G259-K262 PolarHBondContact O-N 2.95Å; G260-K262 VanDerWaalsContact C-N 3.33Å; G260-K262 PolarHBondContact O-N 3.47Å; K262-S264 VanDerWaalsContact C-N 3.32Å; K262-S264 PolarHBondContact O-N 3.33Å; K262-F265 PolarHBondContact O-N 2.92Å; K262-A266 WeakPolarHBondContact O-CB 3.32Å; K262-A266 PolarHBondContact O-N 2.92Å; K262-F332 HydrophobicContact CB-CZ 4.41Å; K262-F332 HydrophobicContact CG-CD1 4.34Å; K262-F332 HydrophobicContact CG-CD2 4.16Å; K262-F332 HydrophobicContact CG-CE1 4.16Å; K262-F332 HydrophobicContact CG-CE2 3.97Å; K262-F332 HydrophobicContact CG-CG 4.36Å; K262-F332 HydrophobicContact CG-CZ 3.98Å; K262-V354 VanDerWaalsContact NZ-CG1 3.33Å
263Q98.2Very high97.9Very high0 Ų022.9 Ų22.90%012%0.121CC..Hα-helixtrans-58.3-47.1173.6-69.6160.449.700110.9L26 A29 F30 L33 G169 T173 G259 G260 F265 A266 A267L26-Q263 HydrophobicContact CD2-CB 4.21Å; A29-Q263 VanDerWaalsContact CB-O 3.29Å; A29-Q263 WeakPolarHBondContact CB-O 3.37Å; F30-Q263 HydrophobicContact CB-CG 4.22Å; F30-Q263 VanDerWaalsContact CD2-CD 3.44Å; F30-Q263 HydrophobicContact CD2-CG 4.05Å; F30-Q263 VanDerWaalsContact CD2-NE2 3.33Å; L33-Q263 HydrophobicContact CD1-CB 4.32Å; L33-Q263 HydrophobicContact CD1-CG 3.5Å; L33-Q263 VanDerWaalsContact CD1-CG 3.5Å; G169-Q263 PolarHBondContact O-OE1 3.01Å; T173-Q263 PolarHBondContact OG1-NE2 3.11Å; G259-Q263 VanDerWaalsContact C-NE2 3.26Å; G259-Q263 VanDerWaalsContact O-CG 3.3Å; G259-Q263 WeakPolarHBondContact O-CG 3.4Å; G259-Q263 PolarHBondContact O-N 3.31Å; G259-Q263 PolarHBondContact O-NE2 3.08Å; G260-Q263 PolarHBondContact O-N 2.83Å; Q263-F265 PolarHBondContact O-N 3.48Å; Q263-A266 PolarHBondContact O-N 3.49Å; Q263-A267 WeakPolarHBondContact O-CB 3.36Å; Q263-A267 PolarHBondContact O-N 3.45Å
264S98.7Very high97.7Very high0 Ų026.3 Ų26.30%016%0.161CC..Hα-helixtrans-64.2-42.9-179.3-170.30000112.3F161 G165 S166 G260 I261 K262 A267 Y268F161-S264 VanDerWaalsContact C-OG 3.27Å; F161-S264 PolarHBondContact O-OG 3.34Å; G165-S264 VanDerWaalsContact C-CB 3.49Å; G165-S264 WeakPolarHBondContact CA-OG 3.4Å; S166-S264 PolarHBondContact N-OG 2.98Å; G260-S264 WeakPolarHBondContact O-CB 3.25Å; G260-S264 PolarHBondContact O-N 2.83Å; I261-S264 PolarHBondContact O-N 3.09Å; K262-S264 VanDerWaalsContact C-N 3.32Å; K262-S264 PolarHBondContact O-N 3.33Å; S264-A267 PolarHBondContact O-N 3.07Å; S264-Y268 WeakPolarHBondContact O-CB 3.26Å; S264-Y268 PolarHBondContact O-N 3.34Å
265F98.5Very high97.4Very high9 Ų932.1 Ų32.14%0.03919%0.186CC..Hα-helixtrans-63.7-45176-169.2-102.6000111.3I261 K262 Q263 A267 Y268 K269 D289 F292 F293 F332 E334I261-F265 WeakPolarHBondContact O-CB 3.34Å; I261-F265 PolarHBondContact O-N 3.46Å; K262-F265 PolarHBondContact O-N 2.92Å; Q263-F265 PolarHBondContact O-N 3.48Å; F265-A267 PolarHBondContact O-N 2.93Å; F265-Y268 AromaticContact CD2-CD1 4Å; F265-Y268 HydrophobicContact CD2-CD1 4Å; F265-Y268 HydrophobicContact CD2-CE1 4.42Å; F265-Y268 HydrophobicContact CE2-CD1 4.12Å; F265-Y268 HydrophobicContact CE2-CE1 4.11Å; F265-Y268 PolarHBondContact O-N 2.9Å; F265-K269 HydrophobicContact CD1-CD 4.49Å; F265-K269 HydrophobicContact CD1-CG 3.86Å; F265-K269 HydrophobicContact CE1-CD 3.87Å; F265-K269 HydrophobicContact CE1-CG 3.59Å; F265-K269 HydrophobicContact CE2-CD 4.16Å; F265-K269 HydrophobicContact CG-CG 4.43Å; F265-K269 HydrophobicContact CZ-CD 3.7Å; F265-K269 HydrophobicContact CZ-CG 3.97Å; F265-K269 VanDerWaalsContact O-CG 3.31Å; F265-K269 WeakPolarHBondContact O-CG 3.02Å; F265-K269 PolarHBondContact O-N 3.15Å; F265-D289 HydrophobicContact CE2-CB 4.35Å; F265-F292 HydrophobicContact CB-CE1 3.96Å; F265-F292 HydrophobicContact CB-CE2 4.26Å; F265-F292 HydrophobicContact CB-CZ 3.7Å; F265-F292 AromaticContact CD2-CD1 3.6Å; F265-F292 HydrophobicContact CD2-CD1 3.6Å; F265-F292 HydrophobicContact CD2-CD2 4.23Å; F265-F292 AromaticContact CD2-CE1 3.66Å; F265-F292 HydrophobicContact CD2-CE1 3.66Å; F265-F292 HydrophobicContact CD2-CE2 4.24Å; F265-F292 AromaticContact CD2-CG 3.94Å; F265-F292 HydrophobicContact CD2-CG 3.94Å; F265-F292 AromaticContact CD2-CZ 3.99Å; F265-F292 HydrophobicContact CD2-CZ 3.99Å; F265-F292 HydrophobicContact CE2-CD1 4.23Å; F265-F292 HydrophobicContact CE2-CG 4.45Å; F265-F292 HydrophobicContact CG-CE1 4.28Å; F265-F292 HydrophobicContact CG-CZ 4.37Å; F265-F293 HydrophobicContact CD2-CE1 4.42Å; F265-F293 HydrophobicContact CD2-CE2 4.39Å; F265-F293 AromaticContact CD2-CZ 3.89Å; F265-F293 HydrophobicContact CD2-CZ 3.89Å; F265-F293 AromaticContact CE2-CE2 3.87Å; F265-F293 HydrophobicContact CE2-CE2 3.87Å; F265-F293 AromaticContact CE2-CZ 3.75Å; F265-F293 HydrophobicContact CE2-CZ 3.75Å; F265-F293 HydrophobicContact CG-CZ 4.49Å; F265-F293 HydrophobicContact CZ-CE2 4.38Å; F265-F293 HydrophobicContact CZ-CZ 4.26Å; F265-F332 HydrophobicContact CB-CE1 3.86Å; F265-F332 HydrophobicContact CB-CZ 3.65Å; F265-F332 AromaticContact CD1-CZ 3.77Å; F265-F332 HydrophobicContact CD1-CZ 3.77Å; F265-F332 HydrophobicContact CG-CE1 4.17Å; F265-F332 AromaticContact CG-CZ 3.81Å; F265-F332 HydrophobicContact CG-CZ 3.81Å; F265-E334 HydrophobicContact CD1-CB 4.13Å; F265-E334 HydrophobicContact CD1-CG 4.19Å; F265-E334 HydrophobicContact CE1-CB 3.58Å; F265-E334 HydrophobicContact CE1-CG 3.65Å; F265-E334 HydrophobicContact CZ-CB 3.97Å; F265-E334 HydrophobicContact CZ-CG 4.43Å
266A97.8Very high97.1Very high29 Ų2938.2 Ų38.224%0.2423%0.226CC..Hα-helixtrans-59.2-44.4176.600000112.1A29 K262 Q263 K269 A270A29-A266 HydrophobicContact CB-CB 4.08Å; K262-A266 WeakPolarHBondContact O-CB 3.32Å; K262-A266 PolarHBondContact O-N 2.92Å; Q263-A266 PolarHBondContact O-N 3.49Å; A266-K269 PolarHBondContact O-N 3.27Å; A266-A270 WeakPolarHBondContact O-CB 3.16Å; A266-A270 PolarHBondContact O-N 3.3Å
267A98.3Very high96.8Very high2 Ų241 Ų412%0.01724%0.239CC..Hα-helixtrans-62.8-44.9174.900000112E25 L26 A29 F161 Q263 S264 F265 K269 A270 L271E25-A267 HydrophobicContact CB-CB 4.3Å; L26-A267 HydrophobicContact CG-CB 4.31Å; A29-A267 HydrophobicContact CB-CB 3.97Å; F161-A267 HydrophobicContact CD1-CB 3.98Å; F161-A267 HydrophobicContact CE1-CB 3.56Å; Q263-A267 WeakPolarHBondContact O-CB 3.36Å; Q263-A267 PolarHBondContact O-N 3.45Å; S264-A267 PolarHBondContact O-N 3.07Å; F265-A267 PolarHBondContact O-N 2.93Å; A267-K269 PolarHBondContact O-N 3.05Å; A267-A270 PolarHBondContact O-N 3.48Å; A267-L271 WeakPolarHBondContact O-CB 3.29Å; A267-L271 PolarHBondContact O-N 2.8Å
268Y98Very high96.2Very high0 Ų047.7 Ų47.70%027%0.27CS..Hα-helixtrans-59.4-46174.7157.4-110.7000112.4A157 A158 F161 S264 F265 L271 T272 Q277 M288 D289 F292A157-Y268 HydrophobicContact CB-CD2 4.19Å; A157-Y268 HydrophobicContact CB-CE2 4.5Å; A158-Y268 HydrophobicContact CB-CD2 4.47Å; A158-Y268 HydrophobicContact CB-CE2 3.76Å; F161-Y268 HydrophobicContact CB-CG 4.44Å; S264-Y268 WeakPolarHBondContact O-CB 3.26Å; S264-Y268 PolarHBondContact O-N 3.34Å; F265-Y268 AromaticContact CD2-CD1 4Å; F265-Y268 HydrophobicContact CD2-CD1 4Å; F265-Y268 HydrophobicContact CD2-CE1 4.42Å; F265-Y268 HydrophobicContact CE2-CD1 4.12Å; F265-Y268 HydrophobicContact CE2-CE1 4.11Å; F265-Y268 PolarHBondContact O-N 2.9Å; Y268-L271 PolarHBondContact O-N 3.04Å; Y268-T272 HydrophobicContact CD2-CG2 3.77Å; Y268-T272 HydrophobicContact CE2-CG2 3.59Å; Y268-T272 WeakPolarHBondContact O-CB 3.32Å; Y268-T272 WeakPolarHBondContact O-CG2 3.44Å; Y268-T272 PolarHBondContact O-N 3.47Å; Y268-T272 PolarHBondContact O-OG1 3.26Å; Y268-Q277 PolarHBondContact OH-NE2 3.49Å; Y268-Q277 PolarHBondContact OH-OE1 3.35Å; Y268-M288 WeakPolarHBondContact OH-CB 3.47Å; Y268-D289 WeakPolarHBondContact CE1-OD1 3.35Å; Y268-D289 PolarHBondContact OH-OD1 3.31Å; Y268-F292 AromaticContact CD1-CD2 3.98Å; Y268-F292 HydrophobicContact CD1-CD2 3.98Å; Y268-F292 HydrophobicContact CD1-CG 4.45Å; Y268-F292 HydrophobicContact CE1-CB 4.42Å; Y268-F292 HydrophobicContact CG-CD2 4.16Å
269K97.3Very high95.9Very high76 Ų7651 Ų5133%0.3329%0.29SS..Hα-helixtrans-64.7-40.1177.1-65.1-49.1-64.8-167.40111.4F265 A266 A267 K273 D289F265-K269 HydrophobicContact CD1-CD 4.49Å; F265-K269 HydrophobicContact CD1-CG 3.86Å; F265-K269 HydrophobicContact CE1-CD 3.87Å; F265-K269 HydrophobicContact CE1-CG 3.59Å; F265-K269 HydrophobicContact CE2-CD 4.16Å; F265-K269 HydrophobicContact CG-CG 4.43Å; F265-K269 HydrophobicContact CZ-CD 3.7Å; F265-K269 HydrophobicContact CZ-CG 3.97Å; F265-K269 VanDerWaalsContact O-CG 3.31Å; F265-K269 WeakPolarHBondContact O-CG 3.02Å; F265-K269 PolarHBondContact O-N 3.15Å; A266-K269 PolarHBondContact O-N 3.27Å; A267-K269 PolarHBondContact O-N 3.05Å; K269-K273 WeakPolarHBondContact O-CB 3.43Å; K269-K273 PolarHBondContact O-N 3.01Å; K269-D289 IonicContact NZ-OD1 2.72Å; K269-D289 PolarHBondContact NZ-OD1 3.37Å; K269-D289 IonicContact NZ-OD2 2.6Å; K269-D289 PolarHBondContact NZ-OD2 2.95Å
270A96.3Very high95.6Very high59 Ų5953 Ų5349%0.48830%0.3SS..Hα-helixtrans-62.2-46.6175.400000111.5A266 A267 T272A266-A270 WeakPolarHBondContact O-CB 3.16Å; A266-A270 PolarHBondContact O-N 3.3Å; A267-A270 PolarHBondContact O-N 3.48Å; A270-T272 VanDerWaalsContact C-N 3.34Å; A270-T272 PolarHBondContact O-N 2.79Å
271L95.5Very high95.3Very high60 Ų6057.5 Ų57.531%0.31433%0.33SS..Hα-helixtrans-63.1-38.5-179.5-179.664.8000113A157 F161 A267 Y268 K275A157-L271 HydrophobicContact CB-CD2 4.08Å; F161-L271 HydrophobicContact CD2-CD2 4.31Å; F161-L271 HydrophobicContact CE2-CD2 3.4Å; F161-L271 VanDerWaalsContact CE2-CD2 3.4Å; F161-L271 HydrophobicContact CZ-CD2 3.89Å; A267-L271 WeakPolarHBondContact O-CB 3.29Å; A267-L271 PolarHBondContact O-N 2.8Å; Y268-L271 PolarHBondContact O-N 3.04Å; L271-K275 WeakPolarHBondContact O-CD 3.41Å; L271-K275 WeakPolarHBondContact O-CE 3.2Å; L271-K275 PolarHBondContact O-NZ 3.2Å
272T95.9Very high95Very high15 Ų1562.2 Ų62.29%0.09236%0.363CS..Hα-helixtrans-95.3-4.6-17459.10000114.2A157 Y268 A270 G274 K275 Q277A157-T272 HydrophobicContact CB-CG2 4.1Å; Y268-T272 HydrophobicContact CD2-CG2 3.77Å; Y268-T272 HydrophobicContact CE2-CG2 3.59Å; Y268-T272 WeakPolarHBondContact O-CB 3.32Å; Y268-T272 WeakPolarHBondContact O-CG2 3.44Å; Y268-T272 PolarHBondContact O-N 3.47Å; Y268-T272 PolarHBondContact O-OG1 3.26Å; A270-T272 VanDerWaalsContact C-N 3.34Å; A270-T272 PolarHBondContact O-N 2.79Å; T272-G274 PolarHBondContact O-N 2.66Å; T272-G274 VanDerWaalsContact O-N 3.11Å; T272-K275 PolarHBondContact O-N 2.81Å; T272-Q277 VanDerWaalsContact CB-NE2 3.27Å; T272-Q277 HydrophobicContact CG2-CG 4.25Å; T272-Q277 PolarHBondContact OG1-NE2 3.31Å
273K95.6Very high94.9Very high177 Ų17764.1 Ų64.177%0.7737%0.374SS*.THydrogen-bonded Turntrans-54.9118.2-179.9-171.7175.5-178.7177.40111.2K269 K275K269-K273 WeakPolarHBondContact O-CB 3.43Å; K269-K273 PolarHBondContact O-N 3.01Å; K273-K275 PolarHBondContact O-N 2.98Å
274G93.9Very high94.8Very high88 Ų8869.9 Ų69.991%0.90740%0.401SS*.THydrogen-bonded Turntrans73.85.1178.300000115.3T272T272-G274 PolarHBondContact O-N 2.66Å; T272-G274 VanDerWaalsContact O-N 3.11Å
275K94.3Very high94.6Very high122 Ų12276 Ų7653%0.5343%0.429SS..SBendtrans-101.9138.1176.4-61.7178.3-170.8160.40110L271 T272 K273L271-K275 WeakPolarHBondContact O-CD 3.41Å; L271-K275 WeakPolarHBondContact O-CE 3.2Å; L271-K275 PolarHBondContact O-NZ 3.2Å; T272-K275 PolarHBondContact O-N 2.81Å; K273-K275 PolarHBondContact O-N 2.98Å
276P90.6Very high94.6Very high131 Ų13178.2 Ų78.285%0.85144%0.439SS*.  trans-61.3141.216828-33.2000109
277Q92Very high94.5Very high57 Ų5780.5 Ų80.527%0.26645%0.45SS..  trans-109.7137174.8-59.3-165.736.700109.6Y268 T272 V279 M288Y268-Q277 PolarHBondContact OH-NE2 3.49Å; Y268-Q277 PolarHBondContact OH-OE1 3.35Å; T272-Q277 VanDerWaalsContact CB-NE2 3.27Å; T272-Q277 HydrophobicContact CG2-CG 4.25Å; T272-Q277 PolarHBondContact OG1-NE2 3.31Å; Q277-V279 PolarHBondContact O-N 3.49Å; Q277-M288 HydrophobicContact CB-CB 4.47Å; Q277-M288 HydrophobicContact CB-CG 3.82Å
278E87.5Confident94.5Very high146 Ų14681.1 Ų81.168%0.68245%0.453SS*.PPolyproline II helixtrans-71.1119174.7-174.2175.5177.700109.7M288E278-M288 WeakPolarHBondContact O-CE 3.33Å; E278-M288 VanDerWaalsContact O-SD 3.4Å
279V91.6Very high94.5Very high74 Ų7482.8 Ų82.845%0.44846%0.462SS..PPolyproline II helixtrans-74.2136.3173.7-179.70000108.5Q277 E284Q277-V279 PolarHBondContact O-N 3.49Å; V279-E284 HydrophobicContact CG1-CB 4.14Å; V279-E284 HydrophobicContact CG1-CG 4Å
280L93Very high94.5Very high41 Ų4180.4 Ų80.422%0.21545%0.452CS..PPolyproline II helixtrans-71.9128.9178.9-72176.3000111.2P156 V159 L283 I291P156-L280 HydrophobicContact CG-CD2 3.59Å; P156-L280 HydrophobicContact CG-CG 4.19Å; V159-L280 HydrophobicContact CG2-CD1 4.04Å; L280-L283 HydrophobicContact CB-CB 4.12Å; L280-L283 HydrophobicContact CB-CD1 4.31Å; L280-L283 HydrophobicContact CD1-CD1 4.1Å; L280-L283 PolarHBondContact O-N 2.96Å; L280-L283 VanDerWaalsContact O-N 3.14Å; L280-I291 HydrophobicContact CD1-CD1 4.26Å; L280-I291 HydrophobicContact CD1-CG1 4.44Å; L280-I291 HydrophobicContact CD1-CG2 3.78Å
281P92.1Very high94.6Very high95 Ų9577.8 Ų77.862%0.61743%0.43SS*.THydrogen-bonded Turntrans-56.4140.6173.3-25.234.2000112L283 E284P281-L283 PolarHBondContact O-N 3.47Å; P281-E284 WeakPolarHBondContact CA-OE1 3.38Å
282S92.5Very high94.8Very high101 Ų10175 Ų7571%0.70642%0.415SS*.THydrogen-bonded Turntrans66.37-175.7-47.50000116E284S282-E284 VanDerWaalsContact C-OE2 3.28Å; S282-E284 WeakPolarHBondContact CA-OE2 3.39Å; S282-E284 PolarHBondContact N-OE1 3.47Å; S282-E284 PolarHBondContact N-OE2 3.41Å
283L95.8Very high94.9Very high64 Ų6474.3 Ų74.334%0.33541%0.411SS..  trans-13023.6174.7-65.7176.9000111.7L280 P281 Q285 F286 I291L280-L283 HydrophobicContact CB-CB 4.12Å; L280-L283 HydrophobicContact CB-CD1 4.31Å; L280-L283 HydrophobicContact CD1-CD1 4.1Å; L280-L283 PolarHBondContact O-N 2.96Å; L280-L283 VanDerWaalsContact O-N 3.14Å; P281-L283 PolarHBondContact O-N 3.47Å; L283-Q285 PolarHBondContact O-N 3.14Å; L283-Q285 VanDerWaalsContact O-N 3.11Å; L283-F286 HydrophobicContact CB-CD2 4.3Å; L283-F286 HydrophobicContact CD2-CD2 4.06Å; L283-F286 HydrophobicContact CD2-CE2 4.11Å; L283-F286 PolarHBondContact O-N 3.04Å; L283-I291 HydrophobicContact CB-CD1 4.14Å; L283-I291 HydrophobicContact CD1-CD1 4.04Å
284E95.4Very high95Very high121 Ų12169 Ų6957%0.56539%0.391SS*.THydrogen-bonded Turntrans-63.9-18.3-174.7-58.284.5171.300113.5V279 P281 S282 F286V279-E284 HydrophobicContact CG1-CB 4.14Å; V279-E284 HydrophobicContact CG1-CG 4Å; P281-E284 WeakPolarHBondContact CA-OE1 3.38Å; S282-E284 VanDerWaalsContact C-OE2 3.28Å; S282-E284 WeakPolarHBondContact CA-OE2 3.39Å; S282-E284 PolarHBondContact N-OE1 3.47Å; S282-E284 PolarHBondContact N-OE2 3.41Å; E284-F286 PolarHBondContact O-N 2.93Å
285Q95.6Very high95.2Very high128 Ų12865.5 Ų65.560%0.59835%0.352SS*.THydrogen-bonded Turntrans-69.7-15.9172.772.1-82.316.100113.5L283L283-Q285 PolarHBondContact O-N 3.14Å; L283-Q285 VanDerWaalsContact O-N 3.11Å
286F97.1Very high95.4Very high57 Ų5759.9 Ų59.925%0.2533%0.327CS..SBendtrans-103135.1178.7-63.2-68000111.2L283 E284 Q290 I291 L294L283-F286 HydrophobicContact CB-CD2 4.3Å; L283-F286 HydrophobicContact CD2-CD2 4.06Å; L283-F286 HydrophobicContact CD2-CE2 4.11Å; L283-F286 PolarHBondContact O-N 3.04Å; E284-F286 PolarHBondContact O-N 2.93Å; F286-Q290 HydrophobicContact CB-CB 4.16Å; F286-Q290 HydrophobicContact CD1-CB 4.16Å; F286-I291 HydrophobicContact CB-CD1 3.71Å; F286-I291 HydrophobicContact CB-CG1 4.14Å; F286-I291 HydrophobicContact CD2-CD1 4.37Å; F286-I291 HydrophobicContact CG-CD1 4.35Å; F286-L294 HydrophobicContact CD1-CD1 3.94Å; F286-L294 HydrophobicContact CD2-CD1 4Å; F286-L294 HydrophobicContact CE1-CD1 4.02Å; F286-L294 HydrophobicContact CE2-CD1 4.07Å; F286-L294 HydrophobicContact CG-CD1 3.93Å; F286-L294 HydrophobicContact CZ-CD1 4.08Å
287T96.7Very high95.8Very high76 Ų7654.9 Ų54.947%0.46630%0.297SS..  trans-68.5156.7165.765.60000110.4D289 Q290 I291T287-D289 PolarHBondContact O-N 3.15Å; T287-Q290 CarbonylContact O-C 3.09Å; T287-Q290 WeakPolarHBondContact O-CA 3.34Å; T287-Q290 WeakPolarHBondContact O-CB 3.43Å; T287-Q290 PolarHBondContact O-N 3.06Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.49Å; T287-Q290 PolarHBondContact OG1-N 2.82Å; T287-Q290 PolarHBondContact OG1-OE1 3.12Å; T287-I291 WeakPolarHBondContact O-CG1 3.47Å; T287-I291 PolarHBondContact O-N 3.14Å
288M97.5Very high96.1Very high15 Ų1556.6 Ų56.67%0.07431%0.308CS..Hα-helixtrans-64.8-25.5178.4-61.8-50.9-64.400113.4P156 A158 Y268 Q277 E278 I291 F292P156-M288 HydrophobicContact CB-CE 3.74Å; P156-M288 HydrophobicContact CG-CE 4.22Å; A158-M288 HydrophobicContact CB-CB 4.2Å; A158-M288 HydrophobicContact CB-CE 3.72Å; A158-M288 VanDerWaalsContact CB-O 3.28Å; A158-M288 WeakPolarHBondContact CB-O 3.28Å; Y268-M288 WeakPolarHBondContact OH-CB 3.47Å; Q277-M288 HydrophobicContact CB-CB 4.47Å; Q277-M288 HydrophobicContact CB-CG 3.82Å; E278-M288 WeakPolarHBondContact O-CE 3.33Å; E278-M288 VanDerWaalsContact O-SD 3.4Å; M288-I291 HydrophobicContact CE-CB 4.23Å; M288-I291 HydrophobicContact CE-CG1 4.36Å; M288-I291 HydrophobicContact CE-CG2 4.1Å; M288-I291 PolarHBondContact O-N 3.39Å; M288-I291 HydrophobicContact SD-CB 4.46Å; M288-I291 HydrophobicContact SD-CG1 4.05Å; M288-F292 PolarHBondContact O-N 3.06Å
289D97.8Very high96.4Very high36 Ų3651.1 Ų51.119%0.19328%0.282CS..Hα-helixtrans-67.8-36.9170.5-68.52.7000111.1F265 Y268 K269 T287 F292 F293 A338F265-D289 HydrophobicContact CE2-CB 4.35Å; Y268-D289 WeakPolarHBondContact CE1-OD1 3.35Å; Y268-D289 PolarHBondContact OH-OD1 3.31Å; K269-D289 IonicContact NZ-OD1 2.72Å; K269-D289 PolarHBondContact NZ-OD1 3.37Å; K269-D289 IonicContact NZ-OD2 2.6Å; K269-D289 PolarHBondContact NZ-OD2 2.95Å; T287-D289 PolarHBondContact O-N 3.15Å; D289-F292 WeakPolarHBondContact O-CB 3.28Å; D289-F292 PolarHBondContact O-N 2.71Å; D289-F293 WeakPolarHBondContact O-CD2 3.31Å; D289-F293 PolarHBondContact O-N 2.75Å; D289-A338 HydrophobicContact CB-CB 4.43Å
290Q98.3Very high96.7Very high25 Ų2550.5 Ų50.512%0.11727%0.272CS..Hα-helixtrans-68.1-39.5170.9-70.2167-39.600111.7F286 T287 F292 F293 L294 A338 F339F286-Q290 HydrophobicContact CB-CB 4.16Å; F286-Q290 HydrophobicContact CD1-CB 4.16Å; T287-Q290 CarbonylContact O-C 3.09Å; T287-Q290 WeakPolarHBondContact O-CA 3.34Å; T287-Q290 WeakPolarHBondContact O-CB 3.43Å; T287-Q290 PolarHBondContact O-N 3.06Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.49Å; T287-Q290 PolarHBondContact OG1-N 2.82Å; T287-Q290 PolarHBondContact OG1-OE1 3.12Å; Q290-F292 VanDerWaalsContact C-N 3.27Å; Q290-F292 PolarHBondContact O-N 2.98Å; Q290-F293 PolarHBondContact O-N 3.33Å; Q290-L294 WeakPolarHBondContact O-CB 3.36Å; Q290-L294 VanDerWaalsContact O-CG 3.3Å; Q290-L294 WeakPolarHBondContact O-CG 3.35Å; Q290-L294 PolarHBondContact O-N 3.34Å; Q290-A338 HydrophobicContact CG-CB 4.19Å; Q290-A338 VanDerWaalsContact CG-O 3.31Å; Q290-A338 WeakPolarHBondContact CG-O 3.4Å; Q290-A338 PolarHBondContact NE2-O 3.36Å; Q290-F339 HydrophobicContact CB-CE1 4.14Å; Q290-F339 HydrophobicContact CB-CE2 4.08Å; Q290-F339 HydrophobicContact CB-CZ 3.66Å; Q290-F339 HydrophobicContact CG-CD1 4.27Å; Q290-F339 HydrophobicContact CG-CD2 4.23Å; Q290-F339 HydrophobicContact CG-CE1 3.93Å; Q290-F339 HydrophobicContact CG-CE2 3.88Å; Q290-F339 HydrophobicContact CG-CG 4.42Å; Q290-F339 HydrophobicContact CG-CZ 3.72Å
291I98.2Very high96.9Very high5 Ų553.2 Ų53.23%0.02629%0.293CS..Hα-helixtrans-59-38.5174.2-64.3-59.2000111.4A158 V159 L280 L283 F286 T287 M288 L294 S295A158-I291 HydrophobicContact CB-CB 4.39Å; A158-I291 HydrophobicContact CB-CG2 4.17Å; V159-I291 HydrophobicContact CG2-CG2 3.73Å; L280-I291 HydrophobicContact CD1-CD1 4.26Å; L280-I291 HydrophobicContact CD1-CG1 4.44Å; L280-I291 HydrophobicContact CD1-CG2 3.78Å; L283-I291 HydrophobicContact CB-CD1 4.14Å; L283-I291 HydrophobicContact CD1-CD1 4.04Å; F286-I291 HydrophobicContact CB-CD1 3.71Å; F286-I291 HydrophobicContact CB-CG1 4.14Å; F286-I291 HydrophobicContact CD2-CD1 4.37Å; F286-I291 HydrophobicContact CG-CD1 4.35Å; T287-I291 WeakPolarHBondContact O-CG1 3.47Å; T287-I291 PolarHBondContact O-N 3.14Å; M288-I291 HydrophobicContact CE-CB 4.23Å; M288-I291 HydrophobicContact CE-CG1 4.36Å; M288-I291 HydrophobicContact CE-CG2 4.1Å; M288-I291 PolarHBondContact O-N 3.39Å; M288-I291 HydrophobicContact SD-CB 4.46Å; M288-I291 HydrophobicContact SD-CG1 4.05Å; I291-L294 HydrophobicContact CD1-CD1 4.34Å; I291-L294 PolarHBondContact O-N 2.98Å; I291-S295 WeakPolarHBondContact O-CB 3.25Å; I291-S295 PolarHBondContact O-N 3.09Å; I291-S295 PolarHBondContact O-OG 3.1Å
292F98.5Very high97.1Very high0 Ų052 Ų520%030%0.298CS..Hα-helixtrans-56.2-52.2174.1171.2-80000111.4A158 F161 G162 I261 F265 Y268 M288 D289 Q290 L294 S295 F296A158-F292 HydrophobicContact CB-CB 4.28Å; A158-F292 WeakPolarHBondContact O-CA 3.21Å; F161-F292 VanDerWaalsContact C-CE2 3.47Å; F161-F292 HydrophobicContact CB-CD2 4.15Å; F161-F292 HydrophobicContact CB-CE2 3.91Å; G162-F292 WeakPolarHBondContact CA-O 3.33Å; I261-F292 HydrophobicContact CD1-CE1 4.23Å; I261-F292 HydrophobicContact CG1-CE1 3.79Å; I261-F292 HydrophobicContact CG1-CZ 4.05Å; F265-F292 HydrophobicContact CB-CE1 3.96Å; F265-F292 HydrophobicContact CB-CE2 4.26Å; F265-F292 HydrophobicContact CB-CZ 3.7Å; F265-F292 AromaticContact CD2-CD1 3.6Å; F265-F292 HydrophobicContact CD2-CD1 3.6Å; F265-F292 HydrophobicContact CD2-CD2 4.23Å; F265-F292 AromaticContact CD2-CE1 3.66Å; F265-F292 HydrophobicContact CD2-CE1 3.66Å; F265-F292 HydrophobicContact CD2-CE2 4.24Å; F265-F292 AromaticContact CD2-CG 3.94Å; F265-F292 HydrophobicContact CD2-CG 3.94Å; F265-F292 AromaticContact CD2-CZ 3.99Å; F265-F292 HydrophobicContact CD2-CZ 3.99Å; F265-F292 HydrophobicContact CE2-CD1 4.23Å; F265-F292 HydrophobicContact CE2-CG 4.45Å; F265-F292 HydrophobicContact CG-CE1 4.28Å; F265-F292 HydrophobicContact CG-CZ 4.37Å; Y268-F292 AromaticContact CD1-CD2 3.98Å; Y268-F292 HydrophobicContact CD1-CD2 3.98Å; Y268-F292 HydrophobicContact CD1-CG 4.45Å; Y268-F292 HydrophobicContact CE1-CB 4.42Å; Y268-F292 HydrophobicContact CG-CD2 4.16Å; M288-F292 PolarHBondContact O-N 3.06Å; D289-F292 WeakPolarHBondContact O-CB 3.28Å; D289-F292 PolarHBondContact O-N 2.71Å; Q290-F292 VanDerWaalsContact C-N 3.27Å; Q290-F292 PolarHBondContact O-N 2.98Å; F292-L294 PolarHBondContact O-N 2.99Å; F292-S295 WeakPolarHBondContact O-CB 3.42Å; F292-S295 PolarHBondContact O-N 3.43Å; F292-F296 PolarHBondContact O-N 3.4Å
293F98.8Very high97.2Very high2 Ų254.5 Ų54.51%0.00930%0.304CS..Hα-helixtrans-70-34-178.5-66.3-62.1000112.8I261 F265 D289 Q290 S295 F296 A297 L329 F332 E334 F335 A338 F339I261-F293 HydrophobicContact CD1-CD1 4.11Å; I261-F293 HydrophobicContact CD1-CE1 4.24Å; F265-F293 HydrophobicContact CD2-CE1 4.42Å; F265-F293 HydrophobicContact CD2-CE2 4.39Å; F265-F293 AromaticContact CD2-CZ 3.89Å; F265-F293 HydrophobicContact CD2-CZ 3.89Å; F265-F293 AromaticContact CE2-CE2 3.87Å; F265-F293 HydrophobicContact CE2-CE2 3.87Å; F265-F293 AromaticContact CE2-CZ 3.75Å; F265-F293 HydrophobicContact CE2-CZ 3.75Å; F265-F293 HydrophobicContact CG-CZ 4.49Å; F265-F293 HydrophobicContact CZ-CE2 4.38Å; F265-F293 HydrophobicContact CZ-CZ 4.26Å; D289-F293 WeakPolarHBondContact O-CD2 3.31Å; D289-F293 PolarHBondContact O-N 2.75Å; Q290-F293 PolarHBondContact O-N 3.33Å; F293-S295 VanDerWaalsContact C-N 3.33Å; F293-F296 PolarHBondContact O-N 3.11Å; F293-A297 WeakPolarHBondContact O-CB 3.44Å; F293-A297 PolarHBondContact O-N 2.84Å; F293-L329 HydrophobicContact CD1-CD2 3.72Å; F293-L329 HydrophobicContact CE1-CD2 4.3Å; F293-F332 AromaticContact CE1-CD1 3.64Å; F293-F332 HydrophobicContact CE1-CD1 3.64Å; F293-F332 AromaticContact CE1-CE1 3.67Å; F293-F332 HydrophobicContact CE1-CE1 3.67Å; F293-F332 HydrophobicContact CZ-CD1 4.19Å; F293-F332 HydrophobicContact CZ-CE1 4.03Å; F293-E334 HydrophobicContact CZ-CB 4.25Å; F293-F335 HydrophobicContact CB-CD2 3.96Å; F293-F335 HydrophobicContact CB-CE2 4.48Å; F293-F335 HydrophobicContact CD1-CB 4.01Å; F293-F335 HydrophobicContact CD1-CD2 4.04Å; F293-F335 HydrophobicContact CD2-CB 4.35Å; F293-F335 HydrophobicContact CD2-CD2 4.11Å; F293-F335 HydrophobicContact CE1-CB 3.77Å; F293-F335 HydrophobicContact CE2-CB 4.13Å; F293-F335 HydrophobicContact CG-CB 4.32Å; F293-F335 AromaticContact CG-CD2 3.77Å; F293-F335 HydrophobicContact CG-CD2 3.77Å; F293-F335 HydrophobicContact CZ-CB 3.84Å; F293-A338 HydrophobicContact CD2-CB 3.99Å; F293-A338 HydrophobicContact CE2-CB 3.79Å; F293-F339 HydrophobicContact CB-CE2 3.84Å; F293-F339 HydrophobicContact CB-CZ 4.48Å; F293-F339 HydrophobicContact CD2-CE2 4.03Å; F293-F339 HydrophobicContact CG-CE2 4.31Å
294L98.3Very high97.1Very high66 Ų6654.8 Ų54.835%0.34630%0.302SS..Hα-helixtrans-64.7-39.5172.3-71.2171.6000111.3F286 Q290 I291 F292 A297 N298 F339F286-L294 HydrophobicContact CD1-CD1 3.94Å; F286-L294 HydrophobicContact CD2-CD1 4Å; F286-L294 HydrophobicContact CE1-CD1 4.02Å; F286-L294 HydrophobicContact CE2-CD1 4.07Å; F286-L294 HydrophobicContact CG-CD1 3.93Å; F286-L294 HydrophobicContact CZ-CD1 4.08Å; Q290-L294 WeakPolarHBondContact O-CB 3.36Å; Q290-L294 VanDerWaalsContact O-CG 3.3Å; Q290-L294 WeakPolarHBondContact O-CG 3.35Å; Q290-L294 PolarHBondContact O-N 3.34Å; I291-L294 HydrophobicContact CD1-CD1 4.34Å; I291-L294 PolarHBondContact O-N 2.98Å; F292-L294 PolarHBondContact O-N 2.99Å; L294-A297 PolarHBondContact O-N 3.49Å; L294-N298 WeakPolarHBondContact O-CB 3.39Å; L294-N298 PolarHBondContact O-N 3.5Å; L294-F339 HydrophobicContact CD2-CZ 4.45Å; L294-F339 HydrophobicContact CG-CZ 4.21Å
295S98.2Very high97.2Very high14 Ų1459.4 Ų59.410%0.09831%0.314CS..Hα-helixtrans-64.6-44.1176.8-56.80000111V159 S163 I291 F292 F293 N298 F299V159-S295 WeakPolarHBondContact CA-OG 3.43Å; S163-S295 PolarHBondContact OG-O 2.96Å; I291-S295 WeakPolarHBondContact O-CB 3.25Å; I291-S295 PolarHBondContact O-N 3.09Å; I291-S295 PolarHBondContact O-OG 3.1Å; F292-S295 WeakPolarHBondContact O-CB 3.42Å; F292-S295 PolarHBondContact O-N 3.43Å; F293-S295 VanDerWaalsContact C-N 3.33Å; S295-N298 PolarHBondContact O-N 3.24Å; S295-F299 WeakPolarHBondContact O-CD1 3.17Å
296F98.7Very high97.2Very high3 Ų357.3 Ų57.31%0.01331%0.307CS..Hα-helixtrans-56.3-50.8171.8171-102.9000112.3G162 I261 F292 F293 N298 F299 W300 V325 T328 L329G162-F296 VanDerWaalsContact O-CA 3.22Å; G162-F296 WeakPolarHBondContact O-CA 3.38Å; G162-F296 WeakPolarHBondContact O-CB 3.31Å; G162-F296 PolarHBondContact O-N 3.14Å; I261-F296 HydrophobicContact CB-CE2 4.44Å; I261-F296 HydrophobicContact CD1-CB 4.16Å; I261-F296 HydrophobicContact CD1-CD1 3.52Å; I261-F296 HydrophobicContact CD1-CD2 3.81Å; I261-F296 HydrophobicContact CD1-CE1 3.76Å; I261-F296 HydrophobicContact CD1-CE2 4.04Å; I261-F296 HydrophobicContact CD1-CG 3.54Å; I261-F296 HydrophobicContact CD1-CZ 4.02Å; I261-F296 HydrophobicContact CG1-CD2 4.17Å; I261-F296 HydrophobicContact CG1-CE2 4.42Å; I261-F296 HydrophobicContact CG1-CG 4.3Å; F292-F296 PolarHBondContact O-N 3.4Å; F293-F296 PolarHBondContact O-N 3.11Å; F296-N298 VanDerWaalsContact C-N 3.32Å; F296-N298 PolarHBondContact O-N 3.42Å; F296-F299 HydrophobicContact CB-CE1 4.49Å; F296-F299 AromaticContact CD2-CE1 3.85Å; F296-F299 HydrophobicContact CD2-CE1 3.85Å; F296-F299 AromaticContact CD2-CZ 3.96Å; F296-F299 HydrophobicContact CD2-CZ 3.96Å; F296-F299 HydrophobicContact CE2-CZ 4.21Å; F296-F299 HydrophobicContact CG-CE1 4.47Å; F296-F299 WeakPolarHBondContact O-CD1 3.44Å; F296-F299 VanDerWaalsContact O-CE1 3.25Å; F296-F299 WeakPolarHBondContact O-CE1 3.33Å; F296-W300 AromaticContact CE2-NE1 3.62Å; F296-W300 AromaticContact CZ-NE1 3.73Å; F296-V325 HydrophobicContact CE1-CG2 4.46Å; F296-T328 HydrophobicContact CE1-CG2 4.09Å; F296-T328 HydrophobicContact CZ-CG2 3.77Å; F296-L329 HydrophobicContact CD1-CD1 4.47Å; F296-L329 HydrophobicContact CD1-CD2 4.03Å; F296-L329 HydrophobicContact CD1-CG 4.32Å; F296-L329 HydrophobicContact CE1-CD2 4.14Å; F296-L329 HydrophobicContact CE1-CG 4.16Å
297A98.6Very high97.2Very high27 Ų2763.7 Ų63.722%0.22334%0.335CS..Hα-helixtrans-66.2-35.4-178.600000112.6F293 L294 F299 W300 V325F293-A297 WeakPolarHBondContact O-CB 3.44Å; F293-A297 PolarHBondContact O-N 2.84Å; L294-A297 PolarHBondContact O-N 3.49Å; A297-F299 PolarHBondContact O-N 2.93Å; A297-W300 PolarHBondContact O-N 3.07Å; A297-V325 HydrophobicContact CB-CG1 3.82Å; A297-V325 HydrophobicContact CB-CG2 4.28Å
298N97.3Very high97.2Very high93 Ų9365.4 Ų65.450%0.49734%0.336SS..Hα-helixtrans-66.8-36.6-171.9-178.756.9000113.3L294 S295 F296 W300 C301L294-N298 WeakPolarHBondContact O-CB 3.39Å; L294-N298 PolarHBondContact O-N 3.5Å; S295-N298 PolarHBondContact O-N 3.24Å; F296-N298 VanDerWaalsContact C-N 3.32Å; F296-N298 PolarHBondContact O-N 3.42Å; N298-W300 PolarHBondContact O-N 2.79Å; N298-C301 WeakPolarHBondContact O-CB 3.34Å; N298-C301 PolarHBondContact O-N 3.24Å; N298-C301 VanDerWaalsContact O-N 3.09Å; N298-C301 PolarHBondContact O-SG 2.79Å
299F95.1Very high97.2Very high30 Ų3065.1 Ų65.113%0.13234%0.335CS..THydrogen-bonded Turntrans-72.7-11.7-18074.9-107.8000113.2P149 F150 V167 S295 F296 A297P149-F299 HydrophobicContact CG-CB 4.29Å; F150-F299 HydrophobicContact CD1-CG 4.38Å; F150-F299 HydrophobicContact CE1-CB 3.93Å; F150-F299 HydrophobicContact CE1-CD1 4.39Å; F150-F299 AromaticContact CE1-CD2 3.6Å; F150-F299 HydrophobicContact CE1-CD2 3.6Å; F150-F299 HydrophobicContact CE1-CE2 4.11Å; F150-F299 AromaticContact CE1-CG 3.76Å; F150-F299 HydrophobicContact CE1-CG 3.76Å; F150-F299 HydrophobicContact CZ-CB 4.22Å; F150-F299 HydrophobicContact CZ-CD2 4.18Å; F150-F299 HydrophobicContact CZ-CG 4.42Å; V167-F299 HydrophobicContact CG2-CE2 4.43Å; V167-F299 HydrophobicContact CG2-CZ 4.25Å; S295-F299 WeakPolarHBondContact O-CD1 3.17Å; F296-F299 HydrophobicContact CB-CE1 4.49Å; F296-F299 AromaticContact CD2-CE1 3.85Å; F296-F299 HydrophobicContact CD2-CE1 3.85Å; F296-F299 AromaticContact CD2-CZ 3.96Å; F296-F299 HydrophobicContact CD2-CZ 3.96Å; F296-F299 HydrophobicContact CE2-CZ 4.21Å; F296-F299 HydrophobicContact CG-CE1 4.47Å; F296-F299 WeakPolarHBondContact O-CD1 3.44Å; F296-F299 VanDerWaalsContact O-CE1 3.25Å; F296-F299 WeakPolarHBondContact O-CE1 3.33Å; A297-F299 PolarHBondContact O-N 2.93Å
300W97.5Very high97.1Very high62 Ų6266 Ų6624%0.23534%0.338CS..THydrogen-bonded Turntrans-90.7-0.7171-64.1116000114F296 A297 N298 G302 R324 V325F296-W300 AromaticContact CE2-NE1 3.62Å; F296-W300 AromaticContact CZ-NE1 3.73Å; A297-W300 PolarHBondContact O-N 3.07Å; N298-W300 PolarHBondContact O-N 2.79Å; W300-G302 PolarHBondContact O-N 3.23Å; W300-G302 VanDerWaalsContact O-N 3.09Å; W300-R324 HydrophobicContact CD2-CB 4.41Å; W300-V325 HydrophobicContact CB-CG2 3.59Å; W300-V325 VanDerWaalsContact CD1-CG2 3.42Å; W300-V325 HydrophobicContact CG-CG2 3.74Å
301C97.5Very high97Very high98 Ų9868.9 Ų68.966%0.66235%0.354SS*.  trans-58.2115.3176.7-76.20000110.7N298N298-C301 WeakPolarHBondContact O-CB 3.34Å; N298-C301 PolarHBondContact O-N 3.24Å; N298-C301 VanDerWaalsContact O-N 3.09Å; N298-C301 PolarHBondContact O-SG 2.79Å
302G95.2Very high96.9Very high70 Ų7069.2 Ų69.272%0.72236%0.356SS*.  trans-175.8167.5-179.900000111.1W300W300-G302 PolarHBondContact O-N 3.23Å; W300-G302 VanDerWaalsContact O-N 3.09Å
303N94Very high96.8Very high153 Ų15369.7 Ų69.782%0.81836%0.358SS*.  trans-142156.1173.7-161.83.1000110
304F94.7Very high96.7Very high69 Ų6972.8 Ų72.830%0.30338%0.375SS..  trans-117.3146.6-177.9-59.7-70000110.3F308 L309 M312 P320F304-F308 HydrophobicContact CB-CD1 4.14Å; F304-F308 AromaticContact CD1-CD1 3.32Å; F304-F308 HydrophobicContact CD1-CD1 3.32Å; F304-F308 AromaticContact CD1-CE1 3.39Å; F304-F308 HydrophobicContact CD1-CE1 3.39Å; F304-F308 HydrophobicContact CE1-CD1 4.01Å; F304-F308 AromaticContact CE1-CE1 3.57Å; F304-F308 HydrophobicContact CE1-CE1 3.57Å; F304-F308 HydrophobicContact CG-CD1 4.01Å; F304-F308 HydrophobicContact CG-CE1 4.39Å; F304-L309 HydrophobicContact CB-CB 3.91Å; F304-L309 HydrophobicContact CB-CD1 4.38Å; F304-L309 HydrophobicContact CD2-CD1 3.95Å; F304-L309 HydrophobicContact CG-CD1 4.44Å; F304-M312 HydrophobicContact CD1-SD 4.49Å; F304-M312 HydrophobicContact CD2-SD 4.39Å; F304-M312 HydrophobicContact CE1-SD 3.94Å; F304-M312 HydrophobicContact CE2-SD 3.84Å; F304-M312 HydrophobicContact CZ-CE 4.2Å; F304-M312 HydrophobicContact CZ-SD 3.57Å; F304-M312 VanDerWaalsContact CZ-SD 3.57Å; F304-P320 HydrophobicContact CE2-CB 4.08Å
305R96.8Very high96.6Very high218 Ų21874.3 Ų74.382%0.82339%0.387SS*.  trans-69.9141.7164.5-64.8-179.5-178.4-88.61108.2K307 F308 L309R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.35Å; R305-K307 VanDerWaalsContact O-N 3.09Å; R305-F308 WeakPolarHBondContact O-CA 3.4Å; R305-F308 WeakPolarHBondContact O-CB 3.35Å; R305-F308 PolarHBondContact O-N 3.04Å; R305-L309 PolarHBondContact O-N 3.49Å
306N96.9Very high96.5Very high84 Ų8476 Ų7645%0.44940%0.395SS..Hα-helixtrans-48.2-44.6-176.5-6825.8000113.9E238 L239 F308 L309 Q310E238-N306 PolarHBondContact O-ND2 2.92Å; L239-N306 HydrophobicContact CD2-CB 3.52Å; L239-N306 WeakPolarHBondContact CD2-O 3.28Å; N306-F308 VanDerWaalsContact C-N 3.33Å; N306-F308 PolarHBondContact O-N 3.2Å; N306-L309 PolarHBondContact O-N 3.24Å; N306-Q310 PolarHBondContact O-N 3.23Å
307K95.9Very high96.4Very high192 Ų19280.9 Ų80.984%0.83542%0.418SS*.Hα-helixtrans-60.9-39.3176.5-71-170.2176.3-174.30113.4R305 N311R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.35Å; R305-K307 VanDerWaalsContact O-N 3.09Å; K307-N311 PolarHBondContact O-N 3.38Å
308F97Very high96.4Very high112 Ų11282 Ų8249%0.49142%0.418SS..Hα-helixtrans-73.2-39.1176.9-176.4-88.5000111F304 R305 N306 N311 M312F304-F308 HydrophobicContact CB-CD1 4.14Å; F304-F308 AromaticContact CD1-CD1 3.32Å; F304-F308 HydrophobicContact CD1-CD1 3.32Å; F304-F308 AromaticContact CD1-CE1 3.39Å; F304-F308 HydrophobicContact CD1-CE1 3.39Å; F304-F308 HydrophobicContact CE1-CD1 4.01Å; F304-F308 AromaticContact CE1-CE1 3.57Å; F304-F308 HydrophobicContact CE1-CE1 3.57Å; F304-F308 HydrophobicContact CG-CD1 4.01Å; F304-F308 HydrophobicContact CG-CE1 4.39Å; R305-F308 WeakPolarHBondContact O-CA 3.4Å; R305-F308 WeakPolarHBondContact O-CB 3.35Å; R305-F308 PolarHBondContact O-N 3.04Å; N306-F308 VanDerWaalsContact C-N 3.33Å; N306-F308 PolarHBondContact O-N 3.2Å; F308-N311 PolarHBondContact O-N 2.9Å; F308-M312 HydrophobicContact CE1-CB 4.39Å; F308-M312 HydrophobicContact CE1-SD 4.33Å; F308-M312 WeakPolarHBondContact O-CB 3.47Å; F308-M312 PolarHBondContact O-N 3.21Å
309L97Very high96.4Very high8 Ų877.6 Ų77.64%0.04240%0.395CS..Hα-helixtrans-61.1-44.5176-175.959.9000111.6Y236 L239 F304 R305 N306 M312 I313 P320Y236-L309 HydrophobicContact CD1-CD2 3.66Å; Y236-L309 HydrophobicContact CE1-CD1 4.41Å; Y236-L309 HydrophobicContact CE1-CD2 3.94Å; Y236-L309 HydrophobicContact CG-CD2 4.04Å; L239-L309 HydrophobicContact CD1-CB 4.2Å; L239-L309 HydrophobicContact CD1-CD2 3.92Å; L239-L309 HydrophobicContact CD1-CG 3.82Å; L239-L309 HydrophobicContact CG-CD2 4.43Å; F304-L309 HydrophobicContact CB-CB 3.91Å; F304-L309 HydrophobicContact CB-CD1 4.38Å; F304-L309 HydrophobicContact CD2-CD1 3.95Å; F304-L309 HydrophobicContact CG-CD1 4.44Å; R305-L309 PolarHBondContact O-N 3.49Å; N306-L309 PolarHBondContact O-N 3.24Å; L309-M312 WeakPolarHBondContact O-CB 3.47Å; L309-M312 PolarHBondContact O-N 2.89Å; L309-I313 HydrophobicContact CD1-CD1 4.34Å; L309-I313 HydrophobicContact CD1-CG1 4.5Å; L309-I313 HydrophobicContact CG-CD1 4.09Å; L309-I313 WeakPolarHBondContact O-CG1 3.34Å; L309-I313 PolarHBondContact O-N 2.96Å; L309-P320 HydrophobicContact CD1-CB 4.11Å; L309-P320 HydrophobicContact CD1-CG 3.8Å
310Q96.3Very high96.5Very high56 Ų5676.4 Ų76.426%0.26239%0.39SS..Hα-helixtrans-56.9-51.5173.5-178.163.758.900111L239 N306 M312 I313 D314L239-Q310 HydrophobicContact CD1-CB 4.22Å; N306-Q310 PolarHBondContact O-N 3.23Å; Q310-M312 VanDerWaalsContact C-N 3.28Å; Q310-M312 PolarHBondContact O-N 3.36Å; Q310-I313 PolarHBondContact O-N 2.89Å; Q310-D314 PolarHBondContact NE2-OD2 2.94Å; Q310-D314 PolarHBondContact O-N 3.5Å
311N96.8Very high96.5Very high84 Ų8473.9 Ų73.945%0.44938%0.383SS..Hα-helixtrans-58.9-41.2177.4-174.785000111.8K307 F308 D314 T315K307-N311 PolarHBondContact O-N 3.38Å; F308-N311 PolarHBondContact O-N 2.9Å; N311-D314 PolarHBondContact O-N 3.26Å; N311-T315 PolarHBondContact ND2-OG1 3.49Å; N311-T315 PolarHBondContact O-N 3.3Å; N311-T315 PolarHBondContact O-OG1 3Å
312M96.2Very high96.5Very high13 Ų1378.1 Ų78.16%0.06439%0.385CS..Hα-helixtrans-61.5-46.7177.3-176.5174.5-179.300111.6F304 F308 L309 Q310 D314 T315 N316 H318 P320F304-M312 HydrophobicContact CD1-SD 4.49Å; F304-M312 HydrophobicContact CD2-SD 4.39Å; F304-M312 HydrophobicContact CE1-SD 3.94Å; F304-M312 HydrophobicContact CE2-SD 3.84Å; F304-M312 HydrophobicContact CZ-CE 4.2Å; F304-M312 HydrophobicContact CZ-SD 3.57Å; F304-M312 VanDerWaalsContact CZ-SD 3.57Å; F308-M312 HydrophobicContact CE1-CB 4.39Å; F308-M312 HydrophobicContact CE1-SD 4.33Å; F308-M312 WeakPolarHBondContact O-CB 3.47Å; F308-M312 PolarHBondContact O-N 3.21Å; L309-M312 WeakPolarHBondContact O-CB 3.47Å; L309-M312 PolarHBondContact O-N 2.89Å; Q310-M312 VanDerWaalsContact C-N 3.28Å; Q310-M312 PolarHBondContact O-N 3.36Å; M312-D314 PolarHBondContact O-N 3.43Å; M312-T315 PolarHBondContact O-N 3.35Å; M312-N316 HydrophobicContact CB-CB 4.42Å; M312-N316 HydrophobicContact CG-CB 3.67Å; M312-N316 WeakPolarHBondContact O-CA 3.47Å; M312-N316 WeakPolarHBondContact O-CB 3.34Å; M312-N316 PolarHBondContact O-N 3.35Å; M312-H318 HydrophobicContact CE-CB 4.34Å; M312-H318 WeakPolarHBondContact CE-O 3.3Å; M312-P320 HydrophobicContact CE-CB 4.45Å; M312-P320 HydrophobicContact CE-CG 4.38Å; M312-P320 HydrophobicContact SD-CB 4.47Å; M312-P320 HydrophobicContact SD-CG 4.29Å
313I96.5Very high96.6Very high10 Ų1075.2 Ų75.25%0.05135%0.353CS..Hα-helixtrans-60.3-34.5175.7-69.9165.8000111.3Y236 L239 V243 C244 L309 Q310Y236-I313 HydrophobicContact CD2-CD1 3.38Å; Y236-I313 HydrophobicContact CD2-CG1 4.44Å; Y236-I313 HydrophobicContact CE2-CD1 3.64Å; Y236-I313 HydrophobicContact CE2-CG1 4.26Å; Y236-I313 HydrophobicContact CG-CD1 4.22Å; L239-I313 HydrophobicContact CD1-CD1 3.72Å; V243-I313 HydrophobicContact CG1-CD1 3.91Å; V243-I313 HydrophobicContact CG1-CG2 4.46Å; C244-I313 VanDerWaalsContact O-CG2 3.24Å; C244-I313 WeakPolarHBondContact O-CG2 3.21Å; L309-I313 HydrophobicContact CD1-CD1 4.34Å; L309-I313 HydrophobicContact CD1-CG1 4.5Å; L309-I313 HydrophobicContact CG-CD1 4.09Å; L309-I313 WeakPolarHBondContact O-CG1 3.34Å; L309-I313 PolarHBondContact O-N 2.96Å; Q310-I313 PolarHBondContact O-N 2.89Å
314D95.4Very high96.8Very high66 Ų6668.7 Ų68.735%0.35332%0.317SS..Hα-helixtrans-80.4-34.8-177-75.4-40.2000114.5K246 Q310 N311 M312K246-D314 WeakPolarHBondContact CE-OD1 3.37Å; K246-D314 IonicContact NZ-OD1 2.98Å; K246-D314 PolarHBondContact NZ-OD1 2.85Å; Q310-D314 PolarHBondContact NE2-OD2 2.94Å; Q310-D314 PolarHBondContact O-N 3.5Å; N311-D314 PolarHBondContact O-N 3.26Å; M312-D314 PolarHBondContact O-N 3.43Å
315T96.4Very high97Very high98 Ų9866.4 Ų66.460%0.60131%0.309SS*.Hα-helixtrans-126-17-166.474.10000115.3N311 M312N311-T315 PolarHBondContact ND2-OG1 3.49Å; N311-T315 PolarHBondContact O-N 3.3Å; N311-T315 PolarHBondContact O-OG1 3Å; M312-T315 PolarHBondContact O-N 3.35Å
316N95.8Very high97.1Very high49 Ų4957.3 Ų57.326%0.26228%0.278SS..  trans-91.9137.2-175.6-159.5-29.7000110.4M312 H318M312-N316 HydrophobicContact CB-CB 4.42Å; M312-N316 HydrophobicContact CG-CB 3.67Å; M312-N316 WeakPolarHBondContact O-CA 3.47Å; M312-N316 WeakPolarHBondContact O-CB 3.34Å; M312-N316 PolarHBondContact O-N 3.35Å; N316-H318 PolarHBondContact OD1-N 3Å; N316-H318 PolarHBondContact OD1-ND1 3.22Å
317E97.4Very high97.2Very high107 Ų10753.3 Ų53.350%0.526%0.256SS..SBendtrans-74.7-14.5172.667.3-158.4158.100112.6T250 E253T250-E317 WeakPolarHBondContact CA-O 3.34Å; T250-E317 WeakPolarHBondContact CB-O 3.43Å; T250-E317 WeakPolarHBondContact CG2-O 3.48Å; E253-E317 WeakPolarHBondContact CB-O 3.28Å; E253-E317 HydrophobicContact CG-CB 4.34Å; E253-E317 HydrophobicContact CG-CG 3.96Å; E253-E317 WeakPolarHBondContact CG-O 3.45Å
318H97.9Very high97.3Very high50 Ų5044.2 Ų44.223%0.23122%0.217CC..SBendtrans-90.8133.2176.2-54.385.5000111.3E253 M312 N316 R324E253-H318 HydrophobicContact CG-CB 4.45Å; E253-H318 VanDerWaalsContact CG-CD2 3.47Å; E253-H318 WeakPolarHBondContact CG-CD2 3.43Å; E253-H318 IonicContact OE1-CD2 2.95Å; E253-H318 IonicContact OE1-NE2 3.96Å; E253-H318 IonicContact OE2-CD2 3.32Å; E253-H318 PolarHBondContact OE2-CD2 3.29Å; E253-H318 IonicContact OE2-NE2 2.98Å; E253-H318 PolarHBondContact OE2-NE2 3.42Å; M312-H318 HydrophobicContact CE-CB 4.34Å; M312-H318 WeakPolarHBondContact CE-O 3.3Å; N316-H318 PolarHBondContact OD1-N 3Å; N316-H318 PolarHBondContact OD1-ND1 3.22Å; H318-R324 PolarHBondContact CD2-NH1 2.95Å
319A98Very high97.4Very high1 Ų139.2 Ų39.21%0.00820%0.195CC..PPolyproline II helixtrans-60.7150.1164.100000110.3Y231 V245 T250 N323 R324Y231-A319 HydrophobicContact CD1-CB 3.96Å; Y231-A319 HydrophobicContact CE1-CB 4.03Å; V245-A319 HydrophobicContact CG1-CB 4.32Å; T250-A319 HydrophobicContact CG2-CB 4.49Å; A319-N323 HydrophobicContact CB-CB 4.41Å; A319-R324 HydrophobicContact CB-CG 4.04Å; A319-R324 WeakPolarHBondContact O-CD 3.49Å; A319-R324 VanDerWaalsContact O-CG 3.25Å; A319-R324 WeakPolarHBondContact O-CG 3.46Å
320P97.7Very high97.5Very high5 Ų539.9 Ų39.93%0.03220%0.198CC..PPolyproline II helixtrans-58.5146.8174.5-28.439.7000111.7Y236 F304 L309 M312 R322 N323 R324Y236-P320 HydrophobicContact CE2-CG 4.33Å; Y236-P320 WeakPolarHBondContact OH-CB 3.44Å; Y236-P320 WeakPolarHBondContact OH-CG 3.39Å; F304-P320 HydrophobicContact CE2-CB 4.08Å; L309-P320 HydrophobicContact CD1-CB 4.11Å; L309-P320 HydrophobicContact CD1-CG 3.8Å; M312-P320 HydrophobicContact CE-CB 4.45Å; M312-P320 HydrophobicContact CE-CG 4.38Å; M312-P320 HydrophobicContact SD-CB 4.47Å; M312-P320 HydrophobicContact SD-CG 4.29Å; P320-R322 VanDerWaalsContact C-N 3.29Å; P320-R322 PolarHBondContact O-N 3.44Å; P320-R322 VanDerWaalsContact O-N 3.08Å; P320-N323 WeakPolarHBondContact O-CA 3.45Å; P320-N323 WeakPolarHBondContact O-CB 3.33Å; P320-N323 PolarHBondContact O-N 3.49Å; P320-R324 PolarHBondContact O-N 2.9Å
321G97.5Very high97.6Very high9 Ų937.4 Ų37.49%0.09319%0.187CC..Hα-helixtrans-51.6-40-168.700000115.1N323 R324 V325G321-N323 VanDerWaalsContact C-N 3.26Å; G321-N323 PolarHBondContact O-N 2.84Å; G321-R324 WeakPolarHBondContact O-CB 3.46Å; G321-R324 PolarHBondContact O-N 3.43Å; G321-V325 WeakPolarHBondContact O-CG2 3.41Å; G321-V325 PolarHBondContact O-N 2.97Å
322R97.1Very high97.7Very high187 Ų18734.2 Ų34.271%0.70617%0.169SC*.Hα-helixtrans-56.3-40.6173.8178.7-176.6173.8-158.4-2.4112.4P320 V325 V326P320-R322 VanDerWaalsContact C-N 3.29Å; P320-R322 PolarHBondContact O-N 3.44Å; P320-R322 VanDerWaalsContact O-N 3.08Å; R322-V325 PolarHBondContact O-N 2.84Å; R322-V326 HydrophobicContact CG-CG2 4.39Å; R322-V326 WeakPolarHBondContact O-CB 3.36Å; R322-V326 VanDerWaalsContact O-CG2 3.31Å; R322-V326 WeakPolarHBondContact O-CG2 3.31Å; R322-V326 PolarHBondContact O-N 3.36Å
323N98Very high97.8Very high9 Ų938.3 Ų38.35%0.04819%0.191CC..Hα-helixtrans-83.1-27.2-176.3-62.186.7000112.1F234 Y236 A319 P320 G321 V325 G327F234-N323 WeakPolarHBondContact CB-ND2 3.21Å; F234-N323 WeakPolarHBondContact CD1-ND2 3.35Å; F234-N323 HydrophobicContact CD2-CB 3.85Å; F234-N323 WeakPolarHBondContact CD2-ND2 3.4Å; F234-N323 HydrophobicContact CE2-CB 4.25Å; F234-N323 HydrophobicContact CG-CB 4.24Å; F234-N323 WeakPolarHBondContact CG-ND2 3.32Å; Y236-N323 PolarHBondContact OH-OD1 3.09Å; A319-N323 HydrophobicContact CB-CB 4.41Å; P320-N323 WeakPolarHBondContact O-CA 3.45Å; P320-N323 WeakPolarHBondContact O-CB 3.33Å; P320-N323 PolarHBondContact O-N 3.49Å; G321-N323 VanDerWaalsContact C-N 3.26Å; G321-N323 PolarHBondContact O-N 2.84Å; N323-V325 VanDerWaalsContact C-N 3.3Å; N323-G327 WeakPolarHBondContact O-CA 3.16Å; N323-G327 PolarHBondContact O-N 3.05Å
324R98.6Very high97.8Very high15 Ų1541 Ų416%0.05720%0.203CC..Hα-helixtrans-58.8-42.9163.7-61-171.679.5157.49.1111H170 E253 D257 W300 H318 A319 P320 G321 T328H170-R324 PolarHBondContact CE1-NH2 3.21Å; E253-R324 IonicContact OE2-NH2 3.38Å; E253-R324 PolarHBondContact OE2-NH2 2.95Å; D257-R324 IonicContact OD1-CZ 3.88Å; D257-R324 IonicContact OD1-NE 2.7Å; D257-R324 PolarHBondContact OD1-NE 2.88Å; D257-R324 IonicContact OD1-NH2 3.46Å; D257-R324 PolarHBondContact OD1-NH2 2.69Å; D257-R324 WeakPolarHBondContact OD2-CB 3.44Å; D257-R324 WeakPolarHBondContact OD2-CG 3.32Å; D257-R324 IonicContact OD2-CZ 2.68Å; D257-R324 IonicContact OD2-NE 3.24Å; D257-R324 PolarHBondContact OD2-NE 2.92Å; D257-R324 IonicContact OD2-NH2 3.51Å; D257-R324 PolarHBondContact OD2-NH2 2.74Å; W300-R324 HydrophobicContact CD2-CB 4.41Å; H318-R324 PolarHBondContact CD2-NH1 2.95Å; A319-R324 HydrophobicContact CB-CG 4.04Å; A319-R324 WeakPolarHBondContact O-CD 3.49Å; A319-R324 VanDerWaalsContact O-CG 3.25Å; A319-R324 WeakPolarHBondContact O-CG 3.46Å; P320-R324 PolarHBondContact O-N 2.9Å; G321-R324 WeakPolarHBondContact O-CB 3.46Å; G321-R324 PolarHBondContact O-N 3.43Å; R324-T328 WeakPolarHBondContact O-CB 3.22Å; R324-T328 PolarHBondContact O-N 3.31Å; R324-T328 PolarHBondContact O-OG1 3.4Å
325V98.7Very high98Very high21 Ų2138.7 Ų38.713%0.12719%0.19CC..Hα-helixtrans-68-57.2174.91770000111.8F296 A297 W300 G321 R322 N323 L329F296-V325 HydrophobicContact CE1-CG2 4.46Å; A297-V325 HydrophobicContact CB-CG1 3.82Å; A297-V325 HydrophobicContact CB-CG2 4.28Å; W300-V325 HydrophobicContact CB-CG2 3.59Å; W300-V325 VanDerWaalsContact CD1-CG2 3.42Å; W300-V325 HydrophobicContact CG-CG2 3.74Å; G321-V325 WeakPolarHBondContact O-CG2 3.41Å; G321-V325 PolarHBondContact O-N 2.97Å; R322-V325 PolarHBondContact O-N 2.84Å; N323-V325 VanDerWaalsContact C-N 3.3Å; V325-L329 HydrophobicContact CG1-CD1 3.68Å; V325-L329 HydrophobicContact CG1-CG 4.42Å; V325-L329 WeakPolarHBondContact O-CB 3.46Å; V325-L329 VanDerWaalsContact O-CG 3.27Å; V325-L329 WeakPolarHBondContact O-CG 3.3Å; V325-L329 PolarHBondContact O-N 3.08Å
326V98.5Very high98.1Very high28 Ų2834.3 Ų34.317%0.1716%0.164CC..Hα-helixtrans-64.2-49.9-172.41710000111.7F234 R322 T328 L329 Q330 M347F234-V326 HydrophobicContact CE1-CG1 4.06Å; F234-V326 HydrophobicContact CZ-CG1 4.14Å; R322-V326 HydrophobicContact CG-CG2 4.39Å; R322-V326 WeakPolarHBondContact O-CB 3.36Å; R322-V326 VanDerWaalsContact O-CG2 3.31Å; R322-V326 WeakPolarHBondContact O-CG2 3.31Å; R322-V326 PolarHBondContact O-N 3.36Å; V326-T328 VanDerWaalsContact C-N 3.33Å; V326-T328 PolarHBondContact O-N 3.3Å; V326-L329 PolarHBondContact O-N 2.82Å; V326-Q330 HydrophobicContact CG1-CG 4.24Å; V326-Q330 WeakPolarHBondContact O-CB 3.44Å; V326-Q330 WeakPolarHBondContact O-CG 3.16Å; V326-Q330 PolarHBondContact O-N 3.18Å; V326-M347 HydrophobicContact CG1-SD 4.02Å; V326-M347 HydrophobicContact CG2-SD 4.27Å
327G98.6Very high98.2Very high0 Ų038.4 Ų38.40%018%0.179CC..Hα-helixtrans-61-43.1-178.400000112.2Q230 N323 N331Q230-G327 PolarHBondContact NE2-O 2.64Å; N323-G327 WeakPolarHBondContact O-CA 3.16Å; N323-G327 PolarHBondContact O-N 3.05Å; G327-N331 PolarHBondContact O-ND2 2.99Å
328T98.8Very high98.3Very high0 Ų034.1 Ų34.10%016%0.162CC..Hα-helixtrans-65-48.7178.2-60.70000112.7Y231 D257 N258 I261 F296 R324 V326 Q330 N331Y231-T328 PolarHBondContact OH-N 3.29Å; D257-T328 WeakPolarHBondContact CB-OG1 3.3Å; N258-T328 PolarHBondContact ND2-OG1 2.89Å; N258-T328 WeakPolarHBondContact OD1-CA 3.48Å; I261-T328 HydrophobicContact CB-CG2 4.13Å; I261-T328 HydrophobicContact CD1-CG2 4.18Å; I261-T328 HydrophobicContact CG2-CG2 3.45Å; I261-T328 VanDerWaalsContact CG2-CG2 3.45Å; F296-T328 HydrophobicContact CE1-CG2 4.09Å; F296-T328 HydrophobicContact CZ-CG2 3.77Å; R324-T328 WeakPolarHBondContact O-CB 3.22Å; R324-T328 PolarHBondContact O-N 3.31Å; R324-T328 PolarHBondContact O-OG1 3.4Å; V326-T328 VanDerWaalsContact C-N 3.33Å; V326-T328 PolarHBondContact O-N 3.3Å; T328-Q330 PolarHBondContact O-N 3.46Å; T328-N331 PolarHBondContact O-N 3.49Å
329L98.7Very high98.3Very high7 Ų734.5 Ų34.54%0.03716%0.163CC..Hα-helixtrans-72.6-29.3-177.1-64.4-179.6000112.8I261 F293 F296 V325 V326 N331 F332 F335 M347I261-L329 HydrophobicContact CD1-CD2 3.69Å; F293-L329 HydrophobicContact CD1-CD2 3.72Å; F293-L329 HydrophobicContact CE1-CD2 4.3Å; F296-L329 HydrophobicContact CD1-CD1 4.47Å; F296-L329 HydrophobicContact CD1-CD2 4.03Å; F296-L329 HydrophobicContact CD1-CG 4.32Å; F296-L329 HydrophobicContact CE1-CD2 4.14Å; F296-L329 HydrophobicContact CE1-CG 4.16Å; V325-L329 HydrophobicContact CG1-CD1 3.68Å; V325-L329 HydrophobicContact CG1-CG 4.42Å; V325-L329 WeakPolarHBondContact O-CB 3.46Å; V325-L329 VanDerWaalsContact O-CG 3.27Å; V325-L329 WeakPolarHBondContact O-CG 3.3Å; V325-L329 PolarHBondContact O-N 3.08Å; V326-L329 PolarHBondContact O-N 2.82Å; L329-N331 PolarHBondContact O-N 3.35Å; L329-F332 PolarHBondContact O-N 3.14Å; L329-F335 HydrophobicContact CB-CD1 3.87Å; L329-F335 HydrophobicContact CB-CD2 4.2Å; L329-F335 HydrophobicContact CB-CE1 4.15Å; L329-F335 HydrophobicContact CB-CE2 4.42Å; L329-F335 HydrophobicContact CB-CG 3.92Å; L329-F335 HydrophobicContact CB-CZ 4.4Å; L329-F335 HydrophobicContact CD1-CD2 3.92Å; L329-F335 HydrophobicContact CD1-CE2 3.76Å; L329-F335 HydrophobicContact CD1-CG 4.48Å; L329-F335 HydrophobicContact CD1-CZ 4.23Å; L329-F335 HydrophobicContact CD2-CB 4.11Å; L329-F335 HydrophobicContact CD2-CD2 3.82Å; L329-F335 HydrophobicContact CD2-CG 3.95Å; L329-F335 HydrophobicContact CG-CD2 4.19Å; L329-F335 HydrophobicContact CG-CE2 4.46Å; L329-F335 HydrophobicContact CG-CG 4.32Å; L329-F335 WeakPolarHBondContact O-CD1 3.17Å; L329-M347 HydrophobicContact CB-CE 3.66Å; L329-M347 HydrophobicContact CD1-CE 4.36Å
330Q98.7Very high98.3Very high23 Ų2341.1 Ų41.111%0.10720%0.198CC..Hα-helixtrans-56.9-37170.8-82.7176.5-21.500112.1V326 T328 F332 V346 P349 K352V326-Q330 HydrophobicContact CG1-CG 4.24Å; V326-Q330 WeakPolarHBondContact O-CB 3.44Å; V326-Q330 WeakPolarHBondContact O-CG 3.16Å; V326-Q330 PolarHBondContact O-N 3.18Å; T328-Q330 PolarHBondContact O-N 3.46Å; Q330-F332 VanDerWaalsContact C-N 3.33Å; Q330-F332 PolarHBondContact O-N 3.23Å; Q330-V346 WeakPolarHBondContact CG-O 3.44Å; Q330-V346 PolarHBondContact NE2-O 2.83Å; Q330-P349 HydrophobicContact CB-CG 3.91Å; Q330-P349 HydrophobicContact CG-CG 4.16Å; Q330-K352 PolarHBondContact O-NZ 3.03Å
331N98.6Very high98.4Very high4 Ų442.2 Ų42.22%0.02121%0.206CC..THydrogen-bonded Turntrans-87.55.8-177.4-67.2-35.2000114.5F227 Q230 N258 G327 T328 L329 K352 C353F227-N331 WeakPolarHBondContact CE1-ND2 3.43Å; Q230-N331 PolarHBondContact NE2-ND2 2.67Å; Q230-N331 PolarHBondContact NE2-OD1 3.29Å; Q230-N331 PolarHBondContact OE1-ND2 3.05Å; N258-N331 VanDerWaalsContact OD1-CB 3.26Å; N258-N331 WeakPolarHBondContact OD1-CB 3.41Å; N258-N331 PolarHBondContact OD1-ND2 2.89Å; G327-N331 PolarHBondContact O-ND2 2.99Å; T328-N331 PolarHBondContact O-N 3.49Å; L329-N331 PolarHBondContact O-N 3.35Å; N331-K352 WeakPolarHBondContact OD1-CA 3.27Å; N331-C353 WeakPolarHBondContact CB-O 3.48Å; N331-C353 PolarHBondContact OD1-N 3.34Å
332F98.3Very high98.4Very high16 Ų1646.1 Ų46.17%0.0723%0.23CC..  trans-119.5106.3-174.4-160.4179.1000112.4I261 K262 F265 F293 L329 Q330 E334 F335 A336I261-F332 HydrophobicContact CD1-CD1 4.29Å; I261-F332 HydrophobicContact CG1-CD1 4.35Å; I261-F332 HydrophobicContact CG1-CE1 4.22Å; I261-F332 HydrophobicContact CG2-CD1 3.82Å; I261-F332 HydrophobicContact CG2-CE1 4.07Å; K262-F332 HydrophobicContact CB-CZ 4.41Å; K262-F332 HydrophobicContact CG-CD1 4.34Å; K262-F332 HydrophobicContact CG-CD2 4.16Å; K262-F332 HydrophobicContact CG-CE1 4.16Å; K262-F332 HydrophobicContact CG-CE2 3.97Å; K262-F332 HydrophobicContact CG-CG 4.36Å; K262-F332 HydrophobicContact CG-CZ 3.98Å; F265-F332 HydrophobicContact CB-CE1 3.86Å; F265-F332 HydrophobicContact CB-CZ 3.65Å; F265-F332 AromaticContact CD1-CZ 3.77Å; F265-F332 HydrophobicContact CD1-CZ 3.77Å; F265-F332 HydrophobicContact CG-CE1 4.17Å; F265-F332 AromaticContact CG-CZ 3.81Å; F265-F332 HydrophobicContact CG-CZ 3.81Å; F293-F332 AromaticContact CE1-CD1 3.64Å; F293-F332 HydrophobicContact CE1-CD1 3.64Å; F293-F332 AromaticContact CE1-CE1 3.67Å; F293-F332 HydrophobicContact CE1-CE1 3.67Å; F293-F332 HydrophobicContact CZ-CD1 4.19Å; F293-F332 HydrophobicContact CZ-CE1 4.03Å; L329-F332 PolarHBondContact O-N 3.14Å; Q330-F332 VanDerWaalsContact C-N 3.33Å; Q330-F332 PolarHBondContact O-N 3.23Å; F332-E334 VanDerWaalsContact C-N 3.31Å; F332-E334 HydrophobicContact CD2-CB 4.08Å; F332-E334 HydrophobicContact CE2-CB 3.66Å; F332-E334 HydrophobicContact CE2-CG 3.91Å; F332-E334 HydrophobicContact CZ-CB 4.08Å; F332-E334 PolarHBondContact O-N 3.08Å; F332-F335 HydrophobicContact CB-CB 4.26Å; F332-F335 WeakPolarHBondContact O-CB 3.31Å; F332-F335 PolarHBondContact O-N 2.83Å; F332-F335 VanDerWaalsContact O-N 3.1Å; F332-A336 PolarHBondContact O-N 3.48Å
333D97.8Very high98.4Very high99 Ų9943 Ų4353%0.52923%0.226SC..Hα-helixtrans-63.1-33.9-177.4-66.6-29000113.8F335 A336 K337 K352D333-F335 VanDerWaalsContact C-N 3.26Å; D333-F335 PolarHBondContact O-N 3.37Å; D333-A336 PolarHBondContact O-N 3.23Å; D333-K337 WeakPolarHBondContact O-CB 3.04Å; D333-K337 PolarHBondContact O-N 2.88Å; D333-K352 WeakPolarHBondContact OD1-CD 3.4Å; D333-K352 WeakPolarHBondContact OD1-CE 3.43Å; D333-K352 IonicContact OD1-NZ 2.92Å; D333-K352 PolarHBondContact OD1-NZ 3.32Å
334E98.1Very high98.4Very high67 Ų6745 Ų4531%0.31325%0.249SC..Hα-helixtrans-66.3-29.1176.2-67.5-64.7152.600112.1F265 F293 F332 K337 A338F265-E334 HydrophobicContact CD1-CB 4.13Å; F265-E334 HydrophobicContact CD1-CG 4.19Å; F265-E334 HydrophobicContact CE1-CB 3.58Å; F265-E334 HydrophobicContact CE1-CG 3.65Å; F265-E334 HydrophobicContact CZ-CB 3.97Å; F265-E334 HydrophobicContact CZ-CG 4.43Å; F293-E334 HydrophobicContact CZ-CB 4.25Å; F332-E334 VanDerWaalsContact C-N 3.31Å; F332-E334 HydrophobicContact CD2-CB 4.08Å; F332-E334 HydrophobicContact CE2-CB 3.66Å; F332-E334 HydrophobicContact CE2-CG 3.91Å; F332-E334 HydrophobicContact CZ-CB 4.08Å; F332-E334 PolarHBondContact O-N 3.08Å; E334-K337 IonicContact OE1-NZ 2.74Å; E334-K337 IonicContact OE2-NZ 3.66Å; E334-K337 PolarHBondContact OE2-NZ 3.15Å; E334-A338 VanDerWaalsContact O-CB 3.25Å; E334-A338 WeakPolarHBondContact O-CB 3.29Å; E334-A338 PolarHBondContact O-N 2.87Å
335F98.7Very high98.4Very high17 Ų1746 Ų468%0.07526%0.258CS..Hα-helixtrans-65.6-51.3169.9164.8-93.1000110.8F293 L329 F332 D333 K337 A338 F339 M347F293-F335 HydrophobicContact CB-CD2 3.96Å; F293-F335 HydrophobicContact CB-CE2 4.48Å; F293-F335 HydrophobicContact CD1-CB 4.01Å; F293-F335 HydrophobicContact CD1-CD2 4.04Å; F293-F335 HydrophobicContact CD2-CB 4.35Å; F293-F335 HydrophobicContact CD2-CD2 4.11Å; F293-F335 HydrophobicContact CE1-CB 3.77Å; F293-F335 HydrophobicContact CE2-CB 4.13Å; F293-F335 HydrophobicContact CG-CB 4.32Å; F293-F335 AromaticContact CG-CD2 3.77Å; F293-F335 HydrophobicContact CG-CD2 3.77Å; F293-F335 HydrophobicContact CZ-CB 3.84Å; L329-F335 HydrophobicContact CB-CD1 3.87Å; L329-F335 HydrophobicContact CB-CD2 4.2Å; L329-F335 HydrophobicContact CB-CE1 4.15Å; L329-F335 HydrophobicContact CB-CE2 4.42Å; L329-F335 HydrophobicContact CB-CG 3.92Å; L329-F335 HydrophobicContact CB-CZ 4.4Å; L329-F335 HydrophobicContact CD1-CD2 3.92Å; L329-F335 HydrophobicContact CD1-CE2 3.76Å; L329-F335 HydrophobicContact CD1-CG 4.48Å; L329-F335 HydrophobicContact CD1-CZ 4.23Å; L329-F335 HydrophobicContact CD2-CB 4.11Å; L329-F335 HydrophobicContact CD2-CD2 3.82Å; L329-F335 HydrophobicContact CD2-CG 3.95Å; L329-F335 HydrophobicContact CG-CD2 4.19Å; L329-F335 HydrophobicContact CG-CE2 4.46Å; L329-F335 HydrophobicContact CG-CG 4.32Å; L329-F335 WeakPolarHBondContact O-CD1 3.17Å; F332-F335 HydrophobicContact CB-CB 4.26Å; F332-F335 WeakPolarHBondContact O-CB 3.31Å; F332-F335 PolarHBondContact O-N 2.83Å; F332-F335 VanDerWaalsContact O-N 3.1Å; D333-F335 VanDerWaalsContact C-N 3.26Å; D333-F335 PolarHBondContact O-N 3.37Å; F335-K337 PolarHBondContact O-N 2.72Å; F335-A338 PolarHBondContact O-N 3.26Å; F335-A338 VanDerWaalsContact O-N 3.14Å; F335-F339 AromaticContact CD2-CD2 3.63Å; F335-F339 HydrophobicContact CD2-CD2 3.63Å; F335-F339 AromaticContact CD2-CE2 3.82Å; F335-F339 HydrophobicContact CD2-CE2 3.82Å; F335-F339 AromaticContact CE2-CD2 3.37Å; F335-F339 HydrophobicContact CE2-CD2 3.37Å; F335-F339 AromaticContact CE2-CE2 3.59Å; F335-F339 HydrophobicContact CE2-CE2 3.59Å; F335-F339 HydrophobicContact CE2-CG 4.12Å; F335-F339 HydrophobicContact CE2-CZ 4.48Å; F335-F339 HydrophobicContact CG-CD2 4.49Å; F335-F339 HydrophobicContact CZ-CD2 4.04Å; F335-F339 HydrophobicContact CZ-CG 4.41Å; F335-F339 PolarHBondContact O-N 2.8Å; F335-F339 VanDerWaalsContact O-N 3.08Å; F335-M347 HydrophobicContact CE1-CB 3.86Å; F335-M347 HydrophobicContact CE1-CE 3.98Å; F335-M347 HydrophobicContact CZ-CB 4.46Å; F335-M347 HydrophobicContact CZ-CE 4.1Å
336A98.7Very high98.3Very high6 Ų650.6 Ų50.65%0.0529%0.286CS..Hα-helixtrans-58.8-38.4-179.700000111.7F332 D333 N340 C341 N348F332-A336 PolarHBondContact O-N 3.48Å; D333-A336 PolarHBondContact O-N 3.23Å; A336-N340 CarbonylContact O-C 3.28Å; A336-N340 WeakPolarHBondContact O-CA 3.44Å; A336-N340 PolarHBondContact O-N 2.91Å; A336-C341 HydrophobicContact CB-CB 4.14Å; A336-C341 PolarHBondContact O-N 2.94Å; A336-N348 HydrophobicContact CB-CB 3.9Å; A336-N348 VanDerWaalsContact CB-CG 3.47Å
337K98.5Very high98.3Very high136 Ų13651.4 Ų51.459%0.59129%0.289SS*.Hα-helixtrans-67.2-46.7174.3-179.5-178.6166-160.70112.5D333 E334 F335 F339 N340D333-K337 WeakPolarHBondContact O-CB 3.04Å; D333-K337 PolarHBondContact O-N 2.88Å; E334-K337 IonicContact OE1-NZ 2.74Å; E334-K337 IonicContact OE2-NZ 3.66Å; E334-K337 PolarHBondContact OE2-NZ 3.15Å; F335-K337 PolarHBondContact O-N 2.72Å; K337-F339 PolarHBondContact O-N 3.04Å; K337-N340 PolarHBondContact O-N 2.94Å
338A98.4Very high98.3Very high16 Ų1652.2 Ų52.213%0.13229%0.293CS..Hα-helixtrans-61-31.4179.900000112.7D289 Q290 F293 E334 F335D289-A338 HydrophobicContact CB-CB 4.43Å; Q290-A338 HydrophobicContact CG-CB 4.19Å; Q290-A338 VanDerWaalsContact CG-O 3.31Å; Q290-A338 WeakPolarHBondContact CG-O 3.4Å; Q290-A338 PolarHBondContact NE2-O 3.36Å; F293-A338 HydrophobicContact CD2-CB 3.99Å; F293-A338 HydrophobicContact CE2-CB 3.79Å; E334-A338 VanDerWaalsContact O-CB 3.25Å; E334-A338 WeakPolarHBondContact O-CB 3.29Å; E334-A338 PolarHBondContact O-N 2.87Å; F335-A338 PolarHBondContact O-N 3.26Å; F335-A338 VanDerWaalsContact O-N 3.14Å
339F98.6Very high98.3Very high59 Ų5953.7 Ų53.726%0.25930%0.302SS..THydrogen-bonded Turntrans-104.25.7178.6-72.7-88.8000114.6Q290 F293 L294 F335 K337 C341Q290-F339 HydrophobicContact CB-CE1 4.14Å; Q290-F339 HydrophobicContact CB-CE2 4.08Å; Q290-F339 HydrophobicContact CB-CZ 3.66Å; Q290-F339 HydrophobicContact CG-CD1 4.27Å; Q290-F339 HydrophobicContact CG-CD2 4.23Å; Q290-F339 HydrophobicContact CG-CE1 3.93Å; Q290-F339 HydrophobicContact CG-CE2 3.88Å; Q290-F339 HydrophobicContact CG-CG 4.42Å; Q290-F339 HydrophobicContact CG-CZ 3.72Å; F293-F339 HydrophobicContact CB-CE2 3.84Å; F293-F339 HydrophobicContact CB-CZ 4.48Å; F293-F339 HydrophobicContact CD2-CE2 4.03Å; F293-F339 HydrophobicContact CG-CE2 4.31Å; L294-F339 HydrophobicContact CD2-CZ 4.45Å; L294-F339 HydrophobicContact CG-CZ 4.21Å; F335-F339 AromaticContact CD2-CD2 3.63Å; F335-F339 HydrophobicContact CD2-CD2 3.63Å; F335-F339 AromaticContact CD2-CE2 3.82Å; F335-F339 HydrophobicContact CD2-CE2 3.82Å; F335-F339 AromaticContact CE2-CD2 3.37Å; F335-F339 HydrophobicContact CE2-CD2 3.37Å; F335-F339 AromaticContact CE2-CE2 3.59Å; F335-F339 HydrophobicContact CE2-CE2 3.59Å; F335-F339 HydrophobicContact CE2-CG 4.12Å; F335-F339 HydrophobicContact CE2-CZ 4.48Å; F335-F339 HydrophobicContact CG-CD2 4.49Å; F335-F339 HydrophobicContact CZ-CD2 4.04Å; F335-F339 HydrophobicContact CZ-CG 4.41Å; F335-F339 PolarHBondContact O-N 2.8Å; F335-F339 VanDerWaalsContact O-N 3.08Å; K337-F339 PolarHBondContact O-N 3.04Å; F339-C341 VanDerWaalsContact C-N 3.25Å; F339-C341 PolarHBondContact O-N 3.4Å
340N98.2Very high98.2Very high139 Ų13960.8 Ų60.874%0.74334%0.336SS*.THydrogen-bonded Turntrans51.341.6-176.6-57.4-63.9000113.3A336 K337A336-N340 CarbonylContact O-C 3.28Å; A336-N340 WeakPolarHBondContact O-CA 3.44Å; A336-N340 PolarHBondContact O-N 2.91Å; K337-N340 PolarHBondContact O-N 2.94Å
341C98.4Very high98.2Very high28 Ų2866.6 Ų66.619%0.18936%0.361CS..PPolyproline II helixtrans-71.2122.8178.9-59.80000110.6A336 F339 N348A336-C341 HydrophobicContact CB-CB 4.14Å; A336-C341 PolarHBondContact O-N 2.94Å; F339-C341 VanDerWaalsContact C-N 3.25Å; F339-C341 PolarHBondContact O-N 3.4Å; C341-N348 HydrophobicContact CB-CB 3.77Å; C341-N348 PolarHBondContact O-ND2 3Å
342P98.3Very high98.1Very high92 Ų9268.5 Ų68.560%0.59737%0.368SS*.PPolyproline II helixtrans-66.3145.1178.725-29.3000110.8G344 S345P342-G344 PolarHBondContact O-N 3.19Å; P342-S345 VanDerWaalsContact O-CB 3.24Å; P342-S345 WeakPolarHBondContact O-CB 3.5Å; P342-S345 PolarHBondContact O-N 3.26Å; P342-S345 PolarHBondContact O-OG 3.42Å
343L98.2Very high98.1Very high121 Ų12168 Ų6863%0.63437%0.367SS*.THydrogen-bonded Turntrans-56.5132.9175-175.365.9000109.9S345 E350L343-S345 VanDerWaalsContact C-N 3.32Å; L343-E350 HydrophobicContact CD1-CG 3.98Å; L343-E350 HydrophobicContact CD2-CG 4.38Å; L343-E350 HydrophobicContact CG-CG 3.97Å
344G97.7Very high98Very high52 Ų5266 Ų6654%0.53636%0.358SS..THydrogen-bonded Turntrans85.8-5-175.900000114.7P342 N348P342-G344 PolarHBondContact O-N 3.19Å; G344-N348 PolarHBondContact N-O 2.98Å
345S98.1Very high97.9Very high35 Ų3562.9 Ų62.925%0.24534%0.344CS..SBendtrans-66160.6168.363.20000111.5P342 L343 M347 N348P342-S345 VanDerWaalsContact O-CB 3.24Å; P342-S345 WeakPolarHBondContact O-CB 3.5Å; P342-S345 PolarHBondContact O-N 3.26Å; P342-S345 PolarHBondContact O-OG 3.42Å; L343-S345 VanDerWaalsContact C-N 3.32Å; S345-M347 PolarHBondContact O-N 3.01Å; S345-N348 CarbonylContact O-C 3.26Å; S345-N348 VanDerWaalsContact O-C 3.26Å; S345-N348 PolarHBondContact O-N 3.29Å; S345-N348 PolarHBondContact OG-N 3.31Å
346V97Very high97.6Very high117 Ų11762.7 Ų62.771%0.70934%0.343SS*.THydrogen-bonded Turntrans-51.6-35.5-179.3176.90000112.5Q330Q330-V346 WeakPolarHBondContact CG-O 3.44Å; Q330-V346 PolarHBondContact NE2-O 2.83Å
347M98.3Very high97.6Very high45 Ų4565.5 Ų65.522%0.22236%0.357CS..THydrogen-bonded Turntrans-99.82.9-178.5-61.7-61.3-5800114V326 L329 F335 S345V326-M347 HydrophobicContact CG1-SD 4.02Å; V326-M347 HydrophobicContact CG2-SD 4.27Å; L329-M347 HydrophobicContact CB-CE 3.66Å; L329-M347 HydrophobicContact CD1-CE 4.36Å; F335-M347 HydrophobicContact CE1-CB 3.86Å; F335-M347 HydrophobicContact CE1-CE 3.98Å; F335-M347 HydrophobicContact CZ-CB 4.46Å; F335-M347 HydrophobicContact CZ-CE 4.1Å; S345-M347 PolarHBondContact O-N 3.01Å
348N98.5Very high97.5Very high17 Ų1761.8 Ų61.89%0.09135%0.345CS..SBendtrans-139.663.8173.7-170.621.5000110.9A336 C341 G344 S345 K352A336-N348 HydrophobicContact CB-CB 3.9Å; A336-N348 VanDerWaalsContact CB-CG 3.47Å; C341-N348 HydrophobicContact CB-CB 3.77Å; C341-N348 PolarHBondContact O-ND2 3Å; G344-N348 PolarHBondContact N-O 2.98Å; S345-N348 CarbonylContact O-C 3.26Å; S345-N348 VanDerWaalsContact O-C 3.26Å; S345-N348 PolarHBondContact O-N 3.29Å; S345-N348 PolarHBondContact OG-N 3.31Å; N348-K352 VanDerWaalsContact OD1-CE 3.28Å; N348-K352 WeakPolarHBondContact OD1-CE 3.36Å; N348-K352 PolarHBondContact OD1-NZ 3.26Å
349P98.2Very high97.5Very high31 Ų3164.3 Ų64.320%0.20136%0.357CS..  trans-64.2153.217829.2-36000111.2Q330 K352Q330-P349 HydrophobicContact CB-CG 3.91Å; Q330-P349 HydrophobicContact CG-CG 4.16Å; P349-K352 VanDerWaalsContact O-CE 3.28Å; P349-K352 WeakPolarHBondContact O-CE 3.46Å
350E97.4Very high97.4Very high157 Ų15764.6 Ų64.673%0.73436%0.362SS*.SBendtrans-66.7-40.9177.9-65.7-177.5173.600112.4L343L343-E350 HydrophobicContact CD1-CG 3.98Å; L343-E350 HydrophobicContact CD2-CG 4.38Å; L343-E350 HydrophobicContact CG-CG 3.97Å
351K97.2Very high97.4Very high145 Ų14560 Ų6063%0.6334%0.339SS*.SBendtrans-89.7121.2175.1-174.3-177.8178.5-1730109.5
352K98.1Very high97.3Very high43 Ų4362.1 Ų62.119%0.18735%0.349CS..  trans-122.1141.5177.6-63.7174.3-174.8-107.50110.6Q330 N331 D333 N348 P349Q330-K352 PolarHBondContact O-NZ 3.03Å; N331-K352 WeakPolarHBondContact OD1-CA 3.27Å; D333-K352 WeakPolarHBondContact OD1-CD 3.4Å; D333-K352 WeakPolarHBondContact OD1-CE 3.43Å; D333-K352 IonicContact OD1-NZ 2.92Å; D333-K352 PolarHBondContact OD1-NZ 3.32Å; N348-K352 VanDerWaalsContact OD1-CE 3.28Å; N348-K352 WeakPolarHBondContact OD1-CE 3.36Å; N348-K352 PolarHBondContact OD1-NZ 3.26Å; P349-K352 VanDerWaalsContact O-CE 3.28Å; P349-K352 WeakPolarHBondContact O-CE 3.46Å
353C98Very high97.2Very high5 Ų560 Ų603%0.03433%0.331CS..  trans-93.5130.9177-58.70000110.8C226 F227 N331C226-C353 HydrophobicContact CB-CB 3.79Å; C226-C353 WeakPolarHBondContact CB-SG 3.48Å; C226-C353 PolarHBondContact O-SG 3.18Å; C226-C353 WeakPolarHBondContact SG-CA 3.37Å; C226-C353 WeakPolarHBondContact SG-CB 3.33Å; C226-C353 CovalentContact SG-SG 2.05Å; C226-C353 PolarHBondContact SG-SG 2.94Å; F227-C353 HydrophobicContact CD1-CB 3.76Å; F227-C353 HydrophobicContact CD2-CB 4.13Å; F227-C353 HydrophobicContact CE1-CB 3.58Å; F227-C353 HydrophobicContact CE2-CB 3.98Å; F227-C353 HydrophobicContact CG-CB 4.03Å; F227-C353 HydrophobicContact CZ-CB 3.71Å; F227-C353 WeakPolarHBondContact CZ-O 3.49Å; N331-C353 WeakPolarHBondContact CB-O 3.48Å; N331-C353 PolarHBondContact OD1-N 3.34Å
354V95.8Very high97.2Very high57 Ų5755.3 Ų55.335%0.34531%0.308SS..  trans-145121.8-178.9-179.20000110.2K223 K262K223-V354 WeakPolarHBondContact CD-O 3.45Å; K223-V354 PolarHBondContact NZ-O 3.05Å; K262-V354 VanDerWaalsContact NZ-CG1 3.33Å
355V95Very high97.1Very high3 Ų355.6 Ų55.62%0.01829%0.288CS..  trans-105.8-67.7167.4176.60000109.4W39 F220 K223 F227W39-V355 HydrophobicContact CZ2-CG1 4.02Å; W39-V355 PolarHBondContact NE1-O 3.13Å; F220-V355 HydrophobicContact CD2-CG1 3.84Å; F220-V355 HydrophobicContact CE2-CG1 3.74Å; K223-V355 HydrophobicContact CB-CG2 3.55Å; F227-V355 HydrophobicContact CD2-CG2 4.01Å; F227-V355 HydrophobicContact CE2-CB 4.3Å; F227-V355 HydrophobicContact CE2-CG2 3.62Å
356W93.9Very high97Very high12 Ų1257.5 Ų57.55%0.04529%0.292CS..  trans-97.40-178-52.3115.5000112.9F30 L33 L34 W39 M40 T173 F176 W212 F220F30-W356 HydrophobicContact CE2-CB 4.36Å; F30-W356 HydrophobicContact CE2-CD2 4.36Å; F30-W356 HydrophobicContact CE2-CG 4.27Å; F30-W356 HydrophobicContact CZ-CD2 4.35Å; F30-W356 HydrophobicContact CZ-CE3 4.23Å; L33-W356 WeakPolarHBondContact CB-OXT 3.4Å; L34-W356 HydrophobicContact CD2-CE3 3.91Å; L34-W356 HydrophobicContact CD2-CZ3 3.67Å; W39-W356 AromaticContact CH2-CH2 3.9Å; W39-W356 HydrophobicContact CH2-CH2 3.9Å; W39-W356 HydrophobicContact CH2-CZ3 4.2Å; W39-W356 HydrophobicContact CZ2-CE3 4.22Å; W39-W356 AromaticContact CZ2-CH2 3.81Å; W39-W356 HydrophobicContact CZ2-CH2 3.81Å; W39-W356 HydrophobicContact CZ2-CZ2 4.41Å; W39-W356 AromaticContact CZ2-CZ3 3.7Å; W39-W356 HydrophobicContact CZ2-CZ3 3.7Å; M40-W356 HydrophobicContact CE-CH2 3.44Å; M40-W356 VanDerWaalsContact CE-CH2 3.44Å; M40-W356 HydrophobicContact CE-CZ3 3.41Å; M40-W356 VanDerWaalsContact CE-CZ3 3.41Å; T173-W356 VanDerWaalsContact CG2-CD1 3.41Å; T173-W356 HydrophobicContact CG2-CG 4.29Å; F176-W356 HydrophobicContact CB-CD2 4.33Å; F176-W356 HydrophobicContact CB-CH2 4.16Å; F176-W356 HydrophobicContact CB-CZ2 3.48Å; F176-W356 VanDerWaalsContact CB-CZ2 3.48Å; F176-W356 HydrophobicContact CG-CZ2 4.47Å; F176-W356 VanDerWaalsContact O-CE2 3.24Å; F176-W356 WeakPolarHBondContact O-CZ2 3.4Å; F176-W356 PolarHBondContact O-NE1 2.92Å; W212-W356 AromaticContact CH2-CH2 3.99Å; W212-W356 HydrophobicContact CH2-CH2 3.99Å; W212-W356 HydrophobicContact CH2-CZ2 4.41Å; F220-W356 HydrophobicContact CD2-CZ2 4.09Å; F220-W356 AromaticContact CE2-CZ2 3.71Å; F220-W356 HydrophobicContact CE2-CZ2 3.71Å

Retrieved 356 of 356 residues in 2565.5 ms (Link to these results)

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