A0A096NUL0_PAPAN Loading...

Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit gamma

May regulate MCM3AP phosphorylation through phosphatase recruitment. May act as a negative regulator of ABCB1 expression and function through the dephosphorylation of ABCB1 by TFPI2/PPP2R3C complex. May play a role in the activation-induced cell death of B-cells.

AlphaFold DB (A0A663D5A8), UniProt , Accession A0A096NUL0, Species PAPAN (Papio anubis, Olive baboon), Gene PPP2R3C, Length 453 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
1M52.9Low63.6Low215 Ų215151.1 Ų151.1100%1.05967%0.674SS**  098.40-76.1-88.3-153.400107W3M1-W3 VanDerWaalsContact O-CD1 3.29Å; M1-W3 PolarHBondContact O-N 2.92Å; M1-W3 VanDerWaalsContact O-N 3.12Å
2D58.8Low63.5Low99 Ų99145.3 Ų145.353%0.52967%0.674SS.*  trans-77.196.8-178.5-171.7-1.6000109.5K4 E5D2-K4 PolarHBondContact O-N 2.82Å; D2-K4 VanDerWaalsContact OD1-CB 3.28Å; D2-K4 WeakPolarHBondContact OD1-CB 3.43Å; D2-K4 PolarHBondContact OD1-N 3.02Å; D2-E5 PolarHBondContact O-N 3.31Å; D2-E5 VanDerWaalsContact O-N 3.12Å
3W58.2Low62.6Low195 Ų195141.2 Ų141.274%0.73967%0.665SS**Hα-helixtrans-56.2-23-178.4-72.792.3000113.1M1 V6 L7M1-W3 VanDerWaalsContact O-CD1 3.29Å; M1-W3 PolarHBondContact O-N 2.92Å; M1-W3 VanDerWaalsContact O-N 3.12Å; W3-V6 PolarHBondContact O-N 3.03Å; W3-L7 WeakPolarHBondContact O-CB 3.13Å; W3-L7 PolarHBondContact O-N 2.77Å; W3-L7 VanDerWaalsContact O-N 3.09Å
4K68.9Low61.6Low144 Ų144138.6 Ų138.663%0.62667%0.667SS**Hα-helixtrans-70.6-37.3-180-138.5174-172.4175.70112.1D2 R8D2-K4 PolarHBondContact O-N 2.82Å; D2-K4 VanDerWaalsContact OD1-CB 3.28Å; D2-K4 WeakPolarHBondContact OD1-CB 3.43Å; D2-K4 PolarHBondContact OD1-N 3.02Å; K4-R8 WeakPolarHBondContact O-CG 3.28Å; K4-R8 PolarHBondContact O-N 3.31Å; K4-R8 VanDerWaalsContact O-N 3.13Å
5E67.1Low61.1Low114 Ų114140.3 Ų140.353%0.53368%0.68SS.*Hα-helixtrans-70.5-39.5174.7-82.7-169.8135.300112D2 L7 R8 R9D2-E5 PolarHBondContact O-N 3.31Å; D2-E5 VanDerWaalsContact O-N 3.12Å; E5-L7 PolarHBondContact O-N 3.5Å; E5-R8 PolarHBondContact O-N 2.9Å; E5-R9 WeakPolarHBondContact O-CB 3.4Å; E5-R9 PolarHBondContact O-N 3.14Å
6V68.7Low60.4Low80 Ų80139.6 Ų139.649%0.48569%0.687SS.*Hα-helixtrans-64.6-41.6179.1179.80000110.9W3 R9 R10W3-V6 PolarHBondContact O-N 3.03Å; V6-R9 PolarHBondContact O-N 3.41Å; V6-R10 PolarHBondContact O-N 2.93Å
7L62.1Low59.6Low103 Ų103144.2 Ų144.254%0.53970%0.696SS.*Hα-helixtrans-67.4-42.3176.6-92.9155.2000112.9W3 E5 R9 R10 L11W3-L7 WeakPolarHBondContact O-CB 3.13Å; W3-L7 PolarHBondContact O-N 2.77Å; W3-L7 VanDerWaalsContact O-N 3.09Å; E5-L7 PolarHBondContact O-N 3.5Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.39Å; L7-R10 PolarHBondContact O-N 3.2Å; L7-L11 PolarHBondContact O-N 3.24Å
8R69.1Low58.7Low179 Ų179142.9 Ų142.968%0.67570%0.7SS**Hα-helixtrans-61.4-41173.7-81.5-177.8-180169.9-0.8111.8K4 E5 R10 L11 A12K4-R8 WeakPolarHBondContact O-CG 3.28Å; K4-R8 PolarHBondContact O-N 3.31Å; K4-R8 VanDerWaalsContact O-N 3.13Å; E5-R8 PolarHBondContact O-N 2.9Å; R8-R10 VanDerWaalsContact C-N 3.29Å; R8-R10 PolarHBondContact O-N 3.26Å; R8-L11 PolarHBondContact O-N 2.91Å; R8-A12 VanDerWaalsContact O-CB 3.25Å; R8-A12 WeakPolarHBondContact O-CB 3.49Å; R8-A12 PolarHBondContact O-N 3.26Å
9R65.4Low58.1Low178 Ų178144.1 Ų144.167%0.67271%0.71SS**Hα-helixtrans-66-33.1179.1-150.3177.9-74.2171.6-2.6111.9E5 V6 L7 T13E5-R9 WeakPolarHBondContact O-CB 3.4Å; E5-R9 PolarHBondContact O-N 3.14Å; V6-R9 PolarHBondContact O-N 3.41Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.39Å; R9-T13 PolarHBondContact O-OG1 3.06Å
10R64.6Low57.7Low207 Ų207145.7 Ų145.778%0.78171%0.713SS**Hα-helixtrans-77.3-32.7177.1-141.2-177.8-168.5173.13.4113.6V6 L7 R8 T13V6-R10 PolarHBondContact O-N 2.93Å; L7-R10 PolarHBondContact O-N 3.2Å; R8-R10 VanDerWaalsContact C-N 3.29Å; R8-R10 PolarHBondContact O-N 3.26Å; R10-T13 PolarHBondContact O-OG1 2.99Å; R10-T13 VanDerWaalsContact O-OG1 3.08Å
11L63.6Low57.4Low148 Ų148148.3 Ų148.378%0.77572%0.72SS**Hα-helixtrans-78.5-28.1175.4-76.6164.1000112.9L7 R8L7-L11 PolarHBondContact O-N 3.24Å; R8-L11 PolarHBondContact O-N 2.91Å
12A62.1Low57.7Low81 Ų81142.7 Ų142.767%0.66969%0.69SS**Hα-helixtrans-78.6-17.7-179.800000114.1R8 P14R8-A12 VanDerWaalsContact O-CB 3.25Å; R8-A12 WeakPolarHBondContact O-CB 3.49Å; R8-A12 PolarHBondContact O-N 3.26Å; A12-P14 WeakPolarHBondContact O-CD 3.38Å
13T52.3Low57.9Low92 Ų92140.7 Ų140.756%0.56468%0.684SS**SBendtrans-82.2112.8171.434.70000110R9 R10 N15R9-T13 PolarHBondContact O-OG1 3.06Å; R10-T13 PolarHBondContact O-OG1 2.99Å; R10-T13 VanDerWaalsContact O-OG1 3.08Å; T13-N15 PolarHBondContact O-N 2.89Å
14P48.9Very low58.2Low106 Ų106138.2 Ų138.269%0.68868%0.68SS**  trans-60.6135.6172.3-14.128.6000108.7A12 T16A12-P14 WeakPolarHBondContact O-CD 3.38Å; P14-T16 PolarHBondContact O-N 3.4Å
15N54.4Low58.1Low163 Ų163137.1 Ų137.187%0.87268%0.678SS**  trans-7074.8-173.4-143.79.4000110.6T13 R17T13-N15 PolarHBondContact O-N 2.89Å; N15-R17 VanDerWaalsContact C-N 3.34Å; N15-R17 PolarHBondContact O-N 3.06Å
16T48.6Very low58.3Low129 Ų129136.1 Ų136.179%0.79167%0.673SS**  trans-96.557.4174.855.10000110.7P14P14-T16 PolarHBondContact O-N 3.4Å
17R47.6Very low58.5Low219 Ų219136.2 Ų136.283%0.82667%0.67SS**SBendtrans-131.6123155.1-73.6-171.7179.5-175-0.8107.9N15 N19N15-R17 VanDerWaalsContact C-N 3.34Å; N15-R17 PolarHBondContact O-N 3.06Å; R17-N19 PolarHBondContact O-N 2.87Å
18P43.3Very low59Low120 Ų120136.4 Ų136.478%0.77967%0.667SS**  trans-60.9130.8176.126.6-30.8000107.7K20P18-K20 PolarHBondContact O-N 3.44Å
19N47.9Very low59.4Low165 Ų165132.2 Ų132.288%0.88266%0.658SS**  trans-69.877.1176.1-146.313000107.8R17 K21R17-N19 PolarHBondContact O-N 2.87Å; N19-K21 PolarHBondContact O-N 2.99Å
20K49.8Very low60Low176 Ų176127.8 Ų127.877%0.76565%0.645SS**  trans-65.4104169.6-116.7-173.8176.7-170.40105.5P18 K22P18-K20 PolarHBondContact O-N 3.44Å; K20-K22 VanDerWaalsContact C-N 3.34Å; K20-K22 PolarHBondContact O-N 3.25Å
21K50.7Low60.7Low202 Ų202124.2 Ų124.288%0.87864%0.637SS**  trans-55.8104.7162.4-83.8-178.1173.5-177.80105.9N19 S23N19-K21 PolarHBondContact O-N 2.99Å; K21-S23 PolarHBondContact O-N 2.84Å
22K58.9Low61.2Low96 Ų96122.7 Ų122.742%0.41763%0.627SS.*  trans-57.3137.7173.7-67.3-172.5-172.6-177.50107.9K20 E26 L27 E30K20-K22 VanDerWaalsContact C-N 3.34Å; K20-K22 PolarHBondContact O-N 3.25Å; K22-E26 VanDerWaalsContact CA-OE2 3.27Å; K22-E26 WeakPolarHBondContact CA-OE2 3.22Å; K22-E26 HydrophobicContact CB-CB 4.28Å; K22-L27 HydrophobicContact CB-CD2 4.48Å; K22-L27 HydrophobicContact CB-CG 4.2Å; K22-L27 HydrophobicContact CD-CD2 4.46Å; K22-E30 IonicContact NZ-OE1 2.61Å; K22-E30 PolarHBondContact NZ-OE1 3.44Å; K22-E30 IonicContact NZ-OE2 2.7Å; K22-E30 PolarHBondContact NZ-OE2 2.75Å
23S64.5Low62Low57 Ų57124.3 Ų124.340%0.39962%0.624SS.*  trans-64.9154.6176.983.30000109.6K21 Q25 E26 L27K21-S23 PolarHBondContact O-N 2.84Å; S23-Q25 PolarHBondContact O-N 3.01Å; S23-Q25 VanDerWaalsContact O-N 3.11Å; S23-Q25 PolarHBondContact OG-N 3.42Å; S23-E26 PolarHBondContact N-OE2 3.42Å; S23-E26 PolarHBondContact O-N 3.24Å; S23-E26 PolarHBondContact OG-N 2.93Å; S23-L27 PolarHBondContact O-N 3.5Å; S23-L27 VanDerWaalsContact O-N 3.1Å
24E63.6Low63.4Low143 Ų143124 Ų12467%0.66862%0.619SS**Hα-helixtrans-57.7-26.9177.5-157.6-179.5167.200112.1K28E24-K28 WeakPolarHBondContact O-CG 3.38Å; E24-K28 PolarHBondContact O-N 3.32Å
25Q67.3Low64.8Low122 Ų122125.1 Ų125.157%0.5761%0.613SS**Hα-helixtrans-70.6-44.6173.9-15275.418.200112.1S23 L27 K28 D29S23-Q25 PolarHBondContact O-N 3.01Å; S23-Q25 VanDerWaalsContact O-N 3.11Å; S23-Q25 PolarHBondContact OG-N 3.42Å; Q25-L27 VanDerWaalsContact C-N 3.27Å; Q25-L27 PolarHBondContact O-N 2.85Å; Q25-K28 PolarHBondContact O-N 3.42Å; Q25-D29 VanDerWaalsContact O-CG 3.23Å; Q25-D29 PolarHBondContact O-N 2.63Å
26E71.6Confident65.7Low92 Ų92120.5 Ų120.543%0.4359%0.591SS.*Hα-helixtrans-65.4-32.3178.3-70.3173.4154.900111.8K22 S23 E30K22-E26 VanDerWaalsContact CA-OE2 3.27Å; K22-E26 WeakPolarHBondContact CA-OE2 3.22Å; K22-E26 HydrophobicContact CB-CB 4.28Å; S23-E26 PolarHBondContact N-OE2 3.42Å; S23-E26 PolarHBondContact O-N 3.24Å; S23-E26 PolarHBondContact OG-N 2.93Å; E26-E30 WeakPolarHBondContact O-CB 3.45Å; E26-E30 WeakPolarHBondContact O-CG 3.48Å; E26-E30 PolarHBondContact O-N 3.03Å
27L72.9Confident67.1Low83 Ų83119.7 Ų119.744%0.43558%0.577SS.*Hα-helixtrans-68.5-42.7173.3-75.6168.2000111.8K22 S23 Q25 E30 E31K22-L27 HydrophobicContact CB-CD2 4.48Å; K22-L27 HydrophobicContact CB-CG 4.2Å; K22-L27 HydrophobicContact CD-CD2 4.46Å; S23-L27 PolarHBondContact O-N 3.5Å; S23-L27 VanDerWaalsContact O-N 3.1Å; Q25-L27 VanDerWaalsContact C-N 3.27Å; Q25-L27 PolarHBondContact O-N 2.85Å; L27-E30 PolarHBondContact O-N 3.35Å; L27-E31 WeakPolarHBondContact O-CB 3.26Å; L27-E31 WeakPolarHBondContact O-CG 3.43Å; L27-E31 PolarHBondContact O-N 3.45Å
28K72.4Confident68.4Low107 Ų107114.3 Ų114.347%0.46556%0.557SS.*Hα-helixtrans-65.8-37.6175.6-76.1175.1-177171.80112.3E24 Q25 E31 M32E24-K28 WeakPolarHBondContact O-CG 3.38Å; E24-K28 PolarHBondContact O-N 3.32Å; Q25-K28 PolarHBondContact O-N 3.42Å; K28-E31 PolarHBondContact O-N 3.44Å; K28-M32 WeakPolarHBondContact O-CB 3.3Å; K28-M32 PolarHBondContact O-N 2.67Å
29D76.8Confident69.7Low91 Ų91113.9 Ų113.949%0.48754%0.541SS..Hα-helixtrans-68.1-41.2176.2-66.8-23.3000110.7Q25 M32 D33Q25-D29 VanDerWaalsContact O-CG 3.23Å; Q25-D29 PolarHBondContact O-N 2.63Å; D29-M32 PolarHBondContact O-N 2.76Å; D29-D33 WeakPolarHBondContact O-CB 3.3Å; D29-D33 PolarHBondContact O-N 3.28Å
30E78.9Confident70.5Confident84 Ų84110 Ų11039%0.39353%0.526SS..Hα-helixtrans-64.4-39172.6-79.8-177.2171.600112.7K22 E26 L27 D33 L34K22-E30 IonicContact NZ-OE1 2.61Å; K22-E30 PolarHBondContact NZ-OE1 3.44Å; K22-E30 IonicContact NZ-OE2 2.7Å; K22-E30 PolarHBondContact NZ-OE2 2.75Å; E26-E30 WeakPolarHBondContact O-CB 3.45Å; E26-E30 WeakPolarHBondContact O-CG 3.48Å; E26-E30 PolarHBondContact O-N 3.03Å; L27-E30 PolarHBondContact O-N 3.35Å; E30-D33 PolarHBondContact O-N 2.6Å; E30-L34 VanDerWaalsContact O-CB 3.31Å; E30-L34 WeakPolarHBondContact O-CB 3.07Å; E30-L34 WeakPolarHBondContact O-CD1 3.28Å; E30-L34 VanDerWaalsContact O-CG 3.29Å; E30-L34 WeakPolarHBondContact O-CG 3.15Å; E30-L34 PolarHBondContact O-N 2.91Å
31E77.8Confident71.4Confident132 Ų132107 Ų10762%0.61752%0.515SS*.Hα-helixtrans-64.3-40.8173-79.6-178.617200111.7L27 K28 L34 F35L27-E31 WeakPolarHBondContact O-CB 3.26Å; L27-E31 WeakPolarHBondContact O-CG 3.43Å; L27-E31 PolarHBondContact O-N 3.45Å; K28-E31 PolarHBondContact O-N 3.44Å; E31-L34 PolarHBondContact O-N 2.8Å; E31-F35 WeakPolarHBondContact O-CB 3.36Å; E31-F35 PolarHBondContact O-N 2.88Å
32M75.6Confident72Confident117 Ų117106.8 Ų106.858%0.57651%0.509SS*.Hα-helixtrans-66.2-39176.1-168.564.964.900111.6K28 D29 F35 T36K28-M32 WeakPolarHBondContact O-CB 3.3Å; K28-M32 PolarHBondContact O-N 2.67Å; D29-M32 PolarHBondContact O-N 2.76Å; M32-F35 PolarHBondContact O-N 3.09Å; M32-T36 VanDerWaalsContact O-CB 3.24Å; M32-T36 WeakPolarHBondContact O-CB 3.47Å; M32-T36 PolarHBondContact O-N 3.19Å; M32-T36 PolarHBondContact O-OG1 3.48Å
33D79.5Confident72.1Confident114 Ų114108.7 Ų108.761%0.6152%0.517SS*.Hα-helixtrans-68.2-43.6175.8-82-14.2000111.5D29 E30 T36 K37D29-D33 WeakPolarHBondContact O-CB 3.3Å; D29-D33 PolarHBondContact O-N 3.28Å; E30-D33 PolarHBondContact O-N 2.6Å; D33-T36 PolarHBondContact O-N 3.36Å; D33-K37 VanDerWaalsContact O-CB 3.26Å; D33-K37 WeakPolarHBondContact O-CB 3.26Å; D33-K37 PolarHBondContact O-N 3.49Å
34L81.7Confident71.5Confident86 Ų86109.7 Ų109.745%0.4554%0.536SS..Hα-helixtrans-62.7-45.7173.7-78.9162.7000110.9E30 E31 K37 Y38E30-L34 VanDerWaalsContact O-CB 3.31Å; E30-L34 WeakPolarHBondContact O-CB 3.07Å; E30-L34 WeakPolarHBondContact O-CD1 3.28Å; E30-L34 VanDerWaalsContact O-CG 3.29Å; E30-L34 WeakPolarHBondContact O-CG 3.15Å; E30-L34 PolarHBondContact O-N 2.91Å; E31-L34 PolarHBondContact O-N 2.8Å; L34-K37 PolarHBondContact O-N 3.44Å; L34-Y38 HydrophobicContact CB-CD2 4.45Å; L34-Y38 HydrophobicContact CB-CE2 4.41Å; L34-Y38 HydrophobicContact CD2-CE2 3.84Å; L34-Y38 WeakPolarHBondContact O-CD2 3.32Å; L34-Y38 PolarHBondContact O-N 3.39Å
35F77.5Confident70.9Confident129 Ų129105.9 Ų105.957%0.56654%0.536SS*.Hα-helixtrans-59.4-48.5175.2178-96.1000110.6E31 M32 K37 Y38 Y39E31-F35 WeakPolarHBondContact O-CB 3.36Å; E31-F35 PolarHBondContact O-N 2.88Å; M32-F35 PolarHBondContact O-N 3.09Å; F35-K37 VanDerWaalsContact C-N 3.31Å; F35-K37 PolarHBondContact O-N 2.97Å; F35-Y38 PolarHBondContact O-N 3.06Å; F35-Y39 HydrophobicContact CE1-CG 4.46Å; F35-Y39 HydrophobicContact CZ-CD2 4.38Å; F35-Y39 WeakPolarHBondContact O-CA 3.43Å; F35-Y39 WeakPolarHBondContact O-CB 3.42Å; F35-Y39 PolarHBondContact O-N 3.19Å
36T73.6Confident70.2Confident67 Ų67110.8 Ų110.841%0.41155%0.549SS..Hα-helixtrans-62.6-39.7179.2-590000111.2M32 D33 S40M32-T36 VanDerWaalsContact O-CB 3.24Å; M32-T36 WeakPolarHBondContact O-CB 3.47Å; M32-T36 PolarHBondContact O-N 3.19Å; M32-T36 PolarHBondContact O-OG1 3.48Å; D33-T36 PolarHBondContact O-N 3.36Å; T36-S40 WeakPolarHBondContact O-CB 3.27Å; T36-S40 PolarHBondContact O-N 3.25Å; T36-S40 PolarHBondContact O-OG 3.28Å
37K77.9Confident69.2Low112 Ų112116 Ų11649%0.48757%0.57SS.*Hα-helixtrans-64.3-54.4176.2-177.2-177.2175.6-173.50111.6D33 L34 F35 S40 E41D33-K37 VanDerWaalsContact O-CB 3.26Å; D33-K37 WeakPolarHBondContact O-CB 3.26Å; D33-K37 PolarHBondContact O-N 3.49Å; L34-K37 PolarHBondContact O-N 3.44Å; F35-K37 VanDerWaalsContact C-N 3.31Å; F35-K37 PolarHBondContact O-N 2.97Å; K37-S40 PolarHBondContact O-N 3.44Å; K37-E41 WeakPolarHBondContact CE-OE1 3.42Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 WeakPolarHBondContact O-CG 3.41Å; K37-E41 PolarHBondContact O-N 3.48Å
38Y74.8Confident68.2Low105 Ų105116.2 Ų116.241%0.41257%0.572SS.*Hα-helixtrans-67-38.4-179.6-70.9-58.6000112L34 F35 S40 E41 W42L34-Y38 HydrophobicContact CB-CD2 4.45Å; L34-Y38 HydrophobicContact CB-CE2 4.41Å; L34-Y38 HydrophobicContact CD2-CE2 3.84Å; L34-Y38 WeakPolarHBondContact O-CD2 3.32Å; L34-Y38 PolarHBondContact O-N 3.39Å; F35-Y38 PolarHBondContact O-N 3.06Å; Y38-S40 VanDerWaalsContact C-N 3.34Å; Y38-S40 PolarHBondContact O-N 3.3Å; Y38-E41 PolarHBondContact O-N 3.42Å; Y38-W42 HydrophobicContact CD1-CZ2 4.33Å; Y38-W42 WeakPolarHBondContact O-CB 3.12Å; Y38-W42 VanDerWaalsContact O-CG 3.29Å; Y38-W42 PolarHBondContact O-N 2.91Å
39Y70.2Confident67.3Low112 Ų112117.8 Ų117.844%0.43959%0.591SS.*Hα-helixtrans-59.3-45.7171.3-178.7-104.6000110.4F35 E41 W42 K43F35-Y39 HydrophobicContact CE1-CG 4.46Å; F35-Y39 HydrophobicContact CZ-CD2 4.38Å; F35-Y39 WeakPolarHBondContact O-CA 3.43Å; F35-Y39 WeakPolarHBondContact O-CB 3.42Å; F35-Y39 PolarHBondContact O-N 3.19Å; Y39-E41 PolarHBondContact O-N 3.39Å; Y39-W42 PolarHBondContact O-N 2.95Å; Y39-K43 HydrophobicContact CD1-CD 4.27Å; Y39-K43 HydrophobicContact CE1-CD 3.55Å; Y39-K43 HydrophobicContact CE1-CG 4.39Å; Y39-K43 WeakPolarHBondContact O-CA 3.35Å; Y39-K43 WeakPolarHBondContact O-CB 3.3Å; Y39-K43 PolarHBondContact O-N 3.47Å; Y39-K43 WeakPolarHBondContact OH-CE 3.31Å; Y39-K43 PolarHBondContact OH-NZ 3.3Å
40S64.3Low66.4Low82 Ų82117.9 Ų117.957%0.57359%0.591SS**Hα-helixtrans-65.1-39.1177-59.80000112.7T36 K37 Y38T36-S40 WeakPolarHBondContact O-CB 3.27Å; T36-S40 PolarHBondContact O-N 3.25Å; T36-S40 PolarHBondContact O-OG 3.28Å; K37-S40 PolarHBondContact O-N 3.44Å; Y38-S40 VanDerWaalsContact C-N 3.34Å; Y38-S40 PolarHBondContact O-N 3.3Å
41E68.3Low65.8Low114 Ų114120.2 Ų120.253%0.53360%0.602SS.*Hα-helixtrans-68.5-34.7176.1-74.7178.3-17300112.2K37 Y38 Y39K37-E41 WeakPolarHBondContact CE-OE1 3.42Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 WeakPolarHBondContact O-CG 3.41Å; K37-E41 PolarHBondContact O-N 3.48Å; Y38-E41 PolarHBondContact O-N 3.42Å; Y39-E41 PolarHBondContact O-N 3.39Å
42W63.3Low65.1Low198 Ų198121.7 Ų121.775%0.7561%0.606SS**Hα-helixtrans-107.7-8.1-170.1-62.40.1000114.9Y38 Y39 G44Y38-W42 HydrophobicContact CD1-CZ2 4.33Å; Y38-W42 WeakPolarHBondContact O-CB 3.12Å; Y38-W42 VanDerWaalsContact O-CG 3.29Å; Y38-W42 PolarHBondContact O-N 2.91Å; Y39-W42 PolarHBondContact O-N 2.95Å; W42-G44 PolarHBondContact O-N 2.93Å
43K62.6Low64.6Low136 Ų136121.1 Ų121.159%0.59160%0.599SS**SBendtrans-59.97.8178.7178.3174.9-171171.70114.4Y39 G45Y39-K43 HydrophobicContact CD1-CD 4.27Å; Y39-K43 HydrophobicContact CE1-CD 3.55Å; Y39-K43 HydrophobicContact CE1-CG 4.39Å; Y39-K43 WeakPolarHBondContact O-CA 3.35Å; Y39-K43 WeakPolarHBondContact O-CB 3.3Å; Y39-K43 PolarHBondContact O-N 3.47Å; Y39-K43 WeakPolarHBondContact OH-CE 3.31Å; Y39-K43 PolarHBondContact OH-NZ 3.3Å; K43-G45 PolarHBondContact O-N 3.18Å
44G52.1Low64.2Low77 Ų77123 Ų12379%0.79460%0.602SS**SBendtrans62.650.3172.900000110.6W42W42-G44 PolarHBondContact O-N 2.93Å
45G50.5Low64Low64 Ų64124.8 Ų124.866%0.6662%0.616SS**  trans-145.339.7-177.700000111.6K43 K47K43-G45 PolarHBondContact O-N 3.18Å; G45-K47 PolarHBondContact O-N 3.05Å
46R51.3Low64Low225 Ų225123.6 Ų123.685%0.84962%0.615SS**  trans-51.2122.4160.1-76.8-175.3179.3175.90.6105.4N48R46-N48 PolarHBondContact O-N 3.16Å
47K52.2Low64.1Low201 Ų201125 Ų12587%0.87463%0.625SS**  trans-49.9100.9161.4-79.6179.4175.5177.20104.8G45 T49G45-K47 PolarHBondContact O-N 3.05Å; K47-T49 PolarHBondContact O-N 3.41Å
48N51.7Low64Low88 Ų88125.4 Ų125.447%0.47162%0.623SS.*  trans-61107.1-171.3-92.5-18.4000106.4R46 N50 Y53R46-N48 PolarHBondContact O-N 3.16Å; N48-N50 PolarHBondContact O-N 3.32Å; N48-N50 VanDerWaalsContact O-N 3.16Å; N48-Y53 HydrophobicContact CB-CD2 4.38Å
49T53.6Low64Low140 Ų140129 Ų12986%0.85964%0.641SS**  trans-69-3.4175.645.40000112K47K47-T49 PolarHBondContact O-N 3.41Å
50N57Low64.4Low93 Ų93131 Ų13150%0.49765%0.649SS.*  trans-84.6110.1175.9-106.7-13.9000111.1N48 F52 Y53N48-N50 PolarHBondContact O-N 3.32Å; N48-N50 VanDerWaalsContact O-N 3.16Å; N50-F52 PolarHBondContact O-N 3.13Å; N50-F52 VanDerWaalsContact O-N 3.15Å; N50-Y53 HydrophobicContact CB-CD2 3.8Å; N50-Y53 HydrophobicContact CB-CE2 4.24Å; N50-Y53 PolarHBondContact O-N 3.07Å; N50-Y53 VanDerWaalsContact O-N 3.15Å
51E65.8Low65Low132 Ų132133.9 Ų133.962%0.61765%0.649SS**THydrogen-bonded Turntrans-56.8-28177.6-62.7-148.1114.700113.6Y53 K54E51-Y53 VanDerWaalsContact C-N 3.26Å; E51-Y53 PolarHBondContact O-N 2.96Å; E51-K54 VanDerWaalsContact O-CB 3.25Å; E51-K54 WeakPolarHBondContact O-CB 3.33Å; E51-K54 PolarHBondContact O-N 3.3Å; E51-K54 IonicContact OE1-NZ 3.16Å; E51-K54 PolarHBondContact OE1-NZ 3.29Å
52F64.6Low65.5Low163 Ų163137.6 Ų137.672%0.71566%0.658SS**Hα-helixtrans-56.8-34.8176.3-81.8-87.1000114N50 K54 T55 I56N50-F52 PolarHBondContact O-N 3.13Å; N50-F52 VanDerWaalsContact O-N 3.15Å; F52-K54 PolarHBondContact O-N 2.97Å; F52-T55 PolarHBondContact O-N 3.49Å; F52-I56 PolarHBondContact O-N 3.31Å
53Y64.3Low66.3Low105 Ų105130.3 Ų130.341%0.41263%0.633SS.*Hα-helixtrans-78.9-4.7178.8-67.3-62.3000113.7N48 N50 E51 I56 R58N48-Y53 HydrophobicContact CB-CD2 4.38Å; N50-Y53 HydrophobicContact CB-CD2 3.8Å; N50-Y53 HydrophobicContact CB-CE2 4.24Å; N50-Y53 PolarHBondContact O-N 3.07Å; N50-Y53 VanDerWaalsContact O-N 3.15Å; E51-Y53 VanDerWaalsContact C-N 3.26Å; E51-Y53 PolarHBondContact O-N 2.96Å; Y53-I56 WeakPolarHBondContact CA-O 3.49Å; Y53-I56 WeakPolarHBondContact CD1-O 3.29Å; Y53-R58 HydrophobicContact CD1-CB 4.04Å; Y53-R58 HydrophobicContact CE1-CB 3.93Å; Y53-R58 HydrophobicContact CE1-CG 4.3Å
54K70.6Confident67.2Low155 Ų155125.2 Ų125.267%0.67461%0.614SS**Hα-helixtrans-74.2-31.3167.4-60.5175.5-176.6168.40111.1E51 F52E51-K54 VanDerWaalsContact O-CB 3.25Å; E51-K54 WeakPolarHBondContact O-CB 3.33Å; E51-K54 PolarHBondContact O-N 3.3Å; E51-K54 IonicContact OE1-NZ 3.16Å; E51-K54 PolarHBondContact OE1-NZ 3.29Å; F52-K54 PolarHBondContact O-N 2.97Å
55T78.4Confident68.5Low123 Ų123123 Ų12376%0.75559%0.588SS**Hα-helixtrans-98.5-40.2-176.4-37.60000112.4F52F52-T55 PolarHBondContact O-N 3.49Å
56I77.4Confident69.7Low104 Ų104128.3 Ų128.353%0.53360%0.595SS.*SBendtrans-118.3109.6177.7-59.4174.8000108.3F52 Y53 F59F52-I56 PolarHBondContact O-N 3.31Å; Y53-I56 WeakPolarHBondContact CA-O 3.49Å; Y53-I56 WeakPolarHBondContact CD1-O 3.29Å; I56-F59 HydrophobicContact CG2-CD1 4.29Å; I56-F59 HydrophobicContact CG2-CE1 4.42Å
57P76Confident71.3Confident97 Ų97123.9 Ų123.963%0.6359%0.589SS**  trans-56.7145.3175.3-23.333.1000110.9F59P57-F59 PolarHBondContact O-N 3.44Å
58R74.4Confident72.8Confident119 Ų119118.3 Ų118.345%0.44957%0.566SS.*  trans-61.7109.6171.8-175.7177.1-178.6177.85108.9Y53 Y60 Y61Y53-R58 HydrophobicContact CD1-CB 4.04Å; Y53-R58 HydrophobicContact CE1-CB 3.93Å; Y53-R58 HydrophobicContact CE1-CG 4.3Å; R58-Y60 WeakPolarHBondContact CG-O 3.48Å; R58-Y60 PolarHBondContact NE-O 3.16Å; R58-Y61 HydrophobicContact CG-CE1 4.16Å; R58-Y61 HydrophobicContact CG-CE2 4.44Å; R58-Y61 WeakPolarHBondContact O-CE2 3.38Å; R58-Y61 PolarHBondContact O-OH 3.13Å
59F76.3Confident74.3Confident180 Ų180117.8 Ų117.879%0.78957%0.566SS**  trans-98.3-17.5-178.462.4-92.2000113.1I56 P57I56-F59 HydrophobicContact CG2-CD1 4.29Å; I56-F59 HydrophobicContact CG2-CE1 4.42Å; P57-F59 PolarHBondContact O-N 3.44Å
60Y77.7Confident75.8Confident155 Ų155118.3 Ų118.361%0.60856%0.562SS**  trans-115126.3177.7-177.4-101.8000111.9R58 R62R58-Y60 WeakPolarHBondContact CG-O 3.48Å; R58-Y60 PolarHBondContact NE-O 3.16Å; Y60-R62 HydrophobicContact CE1-CB 4.05Å
61Y76.4Confident76.9Confident143 Ų143118.1 Ų118.156%0.56156%0.561SS**  trans-118.1114.5173-62.5-90.2000107.5R58 L63R58-Y61 HydrophobicContact CG-CE1 4.16Å; R58-Y61 HydrophobicContact CG-CE2 4.44Å; R58-Y61 WeakPolarHBondContact O-CE2 3.38Å; R58-Y61 PolarHBondContact O-OH 3.13Å; Y61-L63 PolarHBondContact O-N 2.87Å
62R78.4Confident77.6Confident191 Ų191114.7 Ų114.772%0.72155%0.545SS*.PPolyproline II helixtrans-61.8133.1175.8-172.5-177.8174.6179.6-1.2108.4Y60Y60-R62 HydrophobicContact CE1-CB 4.05Å
63L81.7Confident78.5Confident45 Ų45112.9 Ų112.924%0.23654%0.537CS..PPolyproline II helixtrans-71.7147.7172.9-68.2178.4000110.5Y61 A65 R75 A183 Q185Y61-L63 PolarHBondContact O-N 2.87Å; L63-A65 PolarHBondContact O-N 3.08Å; L63-R75 VanDerWaalsContact CD2-NH2 3.3Å; L63-A183 HydrophobicContact CD1-CB 4.16Å; L63-A183 WeakPolarHBondContact CD2-O 3.25Å; L63-Q185 VanDerWaalsContact CD1-CD 3.46Å; L63-Q185 HydrophobicContact CD1-CG 3.89Å
64P81Confident79.5Confident30 Ų30113.4 Ų113.420%0.19555%0.546CS..PPolyproline II helixtrans-55.3138.2170.7-21.732.8000110.6E68 L71 Q72P64-E68 VanDerWaalsContact CA-OE2 3.25Å; P64-E68 WeakPolarHBondContact CA-OE2 3.5Å; P64-E68 HydrophobicContact CB-CB 4.12Å; P64-E68 WeakPolarHBondContact CB-OE2 3.42Å; P64-L71 HydrophobicContact CB-CB 3.75Å; P64-L71 HydrophobicContact CG-CB 3.8Å; P64-Q72 HydrophobicContact CB-CG 3.88Å
65A79.8Confident80.1Confident29 Ų29109.7 Ų109.724%0.2453%0.528CS..PPolyproline II helixtrans-72.7164.5175.600000110.9L63 D67 E68 Q72L63-A65 PolarHBondContact O-N 3.08Å; A65-D67 WeakPolarHBondContact CB-OD1 3.39Å; A65-D67 PolarHBondContact O-N 3.48Å; A65-E68 HydrophobicContact CB-CG 4.47Å; A65-E68 PolarHBondContact N-OE2 3.29Å; A65-E68 WeakPolarHBondContact O-CB 3.21Å; A65-E68 PolarHBondContact O-N 2.94Å; A65-Q72 PolarHBondContact O-NE2 3.31Å
66E75.5Confident80.3Confident176 Ų176107.5 Ų107.582%0.82251%0.509SS*.THydrogen-bonded Turntrans-63.1-25.2-176.3-68.4-176.5174.400113.4E68E66-E68 VanDerWaalsContact C-N 3.29Å
67D84Confident80.7Confident132 Ų132108.7 Ų108.771%0.70651%0.512SS*.THydrogen-bonded Turntrans-75-16.2173.358.5-41.6000113.3A65 V69A65-D67 WeakPolarHBondContact CB-OD1 3.39Å; A65-D67 PolarHBondContact O-N 3.48Å; D67-V69 PolarHBondContact O-N 3.36Å
68E84.8Confident81.2Confident84 Ų84107.2 Ų107.239%0.39351%0.505SS..  trans-93.154.4-177.9-61.3-178.2161.400112.7P64 A65 E66 L70 L71 Q72P64-E68 VanDerWaalsContact CA-OE2 3.25Å; P64-E68 WeakPolarHBondContact CA-OE2 3.5Å; P64-E68 HydrophobicContact CB-CB 4.12Å; P64-E68 WeakPolarHBondContact CB-OE2 3.42Å; A65-E68 HydrophobicContact CB-CG 4.47Å; A65-E68 PolarHBondContact N-OE2 3.29Å; A65-E68 WeakPolarHBondContact O-CB 3.21Å; A65-E68 PolarHBondContact O-N 2.94Å; E66-E68 VanDerWaalsContact C-N 3.29Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.49Å; E68-L70 VanDerWaalsContact O-N 3.12Å; E68-L71 HydrophobicContact CB-CB 4.2Å; E68-L71 HydrophobicContact CB-CD1 4.16Å; E68-L71 HydrophobicContact CG-CD1 4.4Å; E68-L71 PolarHBondContact O-N 3.32Å; E68-L71 WeakPolarHBondContact OE2-CD1 3.35Å; E68-Q72 PolarHBondContact O-N 3.08Å; E68-Q72 VanDerWaalsContact O-N 3.08Å
69V82.8Confident81.8Confident78 Ų78104 Ų10447%0.47349%0.493SS..Hα-helixtrans-50.9-41.2-173.4-177.50000113.7D67 Q72 K73D67-V69 PolarHBondContact O-N 3.36Å; V69-Q72 PolarHBondContact O-N 3.17Å; V69-K73 HydrophobicContact CG1-CD 4.45Å; V69-K73 WeakPolarHBondContact O-CG 3.32Å; V69-K73 PolarHBondContact O-N 3.45Å
70L84.1Confident82.2Confident150 Ų15097 Ų9779%0.78547%0.467SS*.Hα-helixtrans-66.4-37.9179.6-73.5173.4000112.6E68 L74E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.49Å; E68-L70 VanDerWaalsContact O-N 3.12Å; L70-L74 VanDerWaalsContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 PolarHBondContact O-N 2.9Å
71L81.9Confident82.7Confident90 Ų9093.7 Ų93.747%0.47146%0.463SS..Hα-helixtrans-72.8-34178.5-71.7175.3000111.3P64 E68 R75P64-L71 HydrophobicContact CB-CB 3.75Å; P64-L71 HydrophobicContact CG-CB 3.8Å; E68-L71 HydrophobicContact CB-CB 4.2Å; E68-L71 HydrophobicContact CB-CD1 4.16Å; E68-L71 HydrophobicContact CG-CD1 4.4Å; E68-L71 PolarHBondContact O-N 3.32Å; E68-L71 WeakPolarHBondContact OE2-CD1 3.35Å; L71-R75 VanDerWaalsContact O-CB 3.32Å; L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 PolarHBondContact O-N 3.32Å
72Q80.6Confident83.4Confident59 Ų5992.3 Ų92.328%0.27646%0.46SS..Hα-helixtrans-62.6-53.7171.8-67.5-173.1-21.700111.1P64 A65 E68 V69 L74 R75 E76P64-Q72 HydrophobicContact CB-CG 3.88Å; A65-Q72 PolarHBondContact O-NE2 3.31Å; E68-Q72 PolarHBondContact O-N 3.08Å; E68-Q72 VanDerWaalsContact O-N 3.08Å; V69-Q72 PolarHBondContact O-N 3.17Å; Q72-L74 VanDerWaalsContact C-N 3.35Å; Q72-L74 PolarHBondContact O-N 3.45Å; Q72-R75 WeakPolarHBondContact O-CA 3.35Å; Q72-R75 WeakPolarHBondContact O-CB 3.15Å; Q72-R75 PolarHBondContact O-N 3.08Å; Q72-E76 WeakPolarHBondContact O-CG 3.31Å; Q72-E76 PolarHBondContact O-N 3.11Å
73K82.4Confident83.9Confident126 Ų12684 Ų8455%0.54843%0.43SS..Hα-helixtrans-60.1-41.9177.9-72.3-170.9175.9-169.80113.1V69 R75 E76 E77V69-K73 HydrophobicContact CG1-CD 4.45Å; V69-K73 WeakPolarHBondContact O-CG 3.32Å; V69-K73 PolarHBondContact O-N 3.45Å; K73-R75 VanDerWaalsContact C-N 3.27Å; K73-R75 PolarHBondContact O-N 3.47Å; K73-E76 PolarHBondContact O-N 3.12Å; K73-E77 WeakPolarHBondContact O-CB 3.37Å; K73-E77 WeakPolarHBondContact O-CG 3.41Å; K73-E77 PolarHBondContact O-N 3.17Å
74L85.4Confident84.2Confident116 Ų11686.8 Ų86.861%0.60744%0.442SS*.Hα-helixtrans-60.7-40.7175.6179.864.9000111.3L70 Q72 S78L70-L74 VanDerWaalsContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 PolarHBondContact O-N 2.9Å; Q72-L74 VanDerWaalsContact C-N 3.35Å; Q72-L74 PolarHBondContact O-N 3.45Å; L74-S78 WeakPolarHBondContact O-CB 3.34Å; L74-S78 PolarHBondContact O-N 3.17Å; L74-S78 PolarHBondContact O-OG 2.87Å
75R83.4Confident84.7Confident77 Ų7793.4 Ų93.429%0.29146%0.463SS..Hα-helixtrans-65.3-48.1177.1-176.1-177.6179.588.1-0.2110.7L63 L71 Q72 K73 S78 R79 A183L63-R75 VanDerWaalsContact CD2-NH2 3.3Å; L71-R75 VanDerWaalsContact O-CB 3.32Å; L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 PolarHBondContact O-N 3.32Å; Q72-R75 WeakPolarHBondContact O-CA 3.35Å; Q72-R75 WeakPolarHBondContact O-CB 3.15Å; Q72-R75 PolarHBondContact O-N 3.08Å; K73-R75 VanDerWaalsContact C-N 3.27Å; K73-R75 PolarHBondContact O-N 3.47Å; R75-S78 WeakPolarHBondContact CA-OG 3.39Å; R75-S78 PolarHBondContact O-N 3.42Å; R75-S78 PolarHBondContact O-OG 3.29Å; R75-R79 HydrophobicContact CG-CG 4.49Å; R75-R79 WeakPolarHBondContact O-CB 3.41Å; R75-R79 VanDerWaalsContact O-CG 3.26Å; R75-R79 WeakPolarHBondContact O-CG 3.39Å; R75-R79 PolarHBondContact O-N 3.06Å; R75-A183 PolarHBondContact NE-O 3.1Å; R75-A183 PolarHBondContact NH2-O 3.02Å
76E83.3Confident85.2Confident77 Ų7795.9 Ų95.936%0.3647%0.468SS..Hα-helixtrans-54-54.4176.5-72.7167.1-174.500111.4Q72 K73 S78 R79 A80 V182Q72-E76 WeakPolarHBondContact O-CG 3.31Å; Q72-E76 PolarHBondContact O-N 3.11Å; K73-E76 PolarHBondContact O-N 3.12Å; E76-S78 PolarHBondContact O-N 2.75Å; E76-R79 WeakPolarHBondContact O-CB 3.5Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 VanDerWaalsContact O-N 3.14Å; E76-A80 PolarHBondContact O-N 2.97Å; E76-V182 HydrophobicContact CG-CG1 3.81Å; E76-V182 VanDerWaalsContact OE1-CG1 3.25Å; E76-V182 WeakPolarHBondContact OE1-CG1 3.46Å
77E85.2Confident85.9Confident128 Ų12890.4 Ų90.460%0.59845%0.449SS*.Hα-helixtrans-61.4-44178.4-72.6-60.714900112.1K73 R79 A80 V81K73-E77 WeakPolarHBondContact O-CB 3.37Å; K73-E77 WeakPolarHBondContact O-CG 3.41Å; K73-E77 PolarHBondContact O-N 3.17Å; E77-R79 PolarHBondContact O-N 3.01Å; E77-A80 PolarHBondContact O-N 3.09Å; E77-V81 WeakPolarHBondContact O-CG2 3.3Å; E77-V81 PolarHBondContact O-N 3.12Å
78S86.3Confident86.2Confident67 Ų6793 Ų9347%0.46945%0.449SS..Hα-helixtrans-61-35.4177.674.40000112.3L74 R75 E76 F82L74-S78 WeakPolarHBondContact O-CB 3.34Å; L74-S78 PolarHBondContact O-N 3.17Å; L74-S78 PolarHBondContact O-OG 2.87Å; R75-S78 WeakPolarHBondContact CA-OG 3.39Å; R75-S78 PolarHBondContact O-N 3.42Å; R75-S78 PolarHBondContact O-OG 3.29Å; E76-S78 PolarHBondContact O-N 2.75Å; S78-F82 VanDerWaalsContact O-CB 3.32Å; S78-F82 WeakPolarHBondContact O-CB 3.33Å; S78-F82 PolarHBondContact O-N 3.02Å
79R85.7Confident86.4Confident52 Ų5292.5 Ų92.520%0.19645%0.447CS..Hα-helixtrans-73.5-45.5177-74.817660.6724.2111.1R75 E76 E77 V81 F82 L83 D181R75-R79 HydrophobicContact CG-CG 4.49Å; R75-R79 WeakPolarHBondContact O-CB 3.41Å; R75-R79 VanDerWaalsContact O-CG 3.26Å; R75-R79 WeakPolarHBondContact O-CG 3.39Å; R75-R79 PolarHBondContact O-N 3.06Å; E76-R79 WeakPolarHBondContact O-CB 3.5Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 VanDerWaalsContact O-N 3.14Å; E77-R79 PolarHBondContact O-N 3.01Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.45Å; R79-F82 WeakPolarHBondContact O-CB 3.47Å; R79-F82 PolarHBondContact O-N 3.34Å; R79-F82 VanDerWaalsContact O-N 3.15Å; R79-L83 WeakPolarHBondContact O-CB 3.4Å; R79-L83 WeakPolarHBondContact O-CG 3.45Å; R79-L83 PolarHBondContact O-N 3.03Å; R79-D181 PolarHBondContact NE-O 3.26Å; R79-D181 PolarHBondContact NH2-O 2.93Å; R79-D181 IonicContact NH2-OD2 3.65Å
80A86.2Confident86.7Confident31 Ų3189.8 Ų89.826%0.25643%0.43SS..Hα-helixtrans-56.2-47.9176.200000110.8E76 E77 F82 L83 Q84E76-A80 PolarHBondContact O-N 2.97Å; E77-A80 PolarHBondContact O-N 3.09Å; A80-F82 PolarHBondContact O-N 3.38Å; A80-L83 PolarHBondContact O-N 3.23Å; A80-Q84 WeakPolarHBondContact O-CB 3.49Å; A80-Q84 VanDerWaalsContact O-CG 3.29Å; A80-Q84 WeakPolarHBondContact O-CG 3.2Å; A80-Q84 PolarHBondContact O-N 2.78Å
81V88.6Confident87Confident86 Ų8683.2 Ų83.252%0.52140%0.395SS..Hα-helixtrans-63.2-41.3176.31740000111.8E77 R79 Q84 R85E77-V81 WeakPolarHBondContact O-CG2 3.3Å; E77-V81 PolarHBondContact O-N 3.12Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.45Å; V81-Q84 PolarHBondContact O-N 3.29Å; V81-R85 WeakPolarHBondContact O-CB 3.33Å; V81-R85 PolarHBondContact O-N 2.73Å
82F89.6Confident87.3Confident115 Ų11582.4 Ų82.450%0.50439%0.391SS..Hα-helixtrans-61.8-45.5175.9172.1-97.9000112.2S78 R79 A80 R85 K86S78-F82 VanDerWaalsContact O-CB 3.32Å; S78-F82 WeakPolarHBondContact O-CB 3.33Å; S78-F82 PolarHBondContact O-N 3.02Å; R79-F82 WeakPolarHBondContact O-CB 3.47Å; R79-F82 PolarHBondContact O-N 3.34Å; R79-F82 VanDerWaalsContact O-N 3.15Å; A80-F82 PolarHBondContact O-N 3.38Å; F82-R85 PolarHBondContact O-N 3.3Å; F82-K86 HydrophobicContact CE1-CG 4.05Å; F82-K86 HydrophobicContact CE2-CG 4.24Å; F82-K86 HydrophobicContact CZ-CD 4.4Å; F82-K86 HydrophobicContact CZ-CG 3.9Å; F82-K86 WeakPolarHBondContact O-CG 3.47Å; F82-K86 PolarHBondContact O-N 2.73Å
83L88.9Confident87.6Confident15 Ų1585.7 Ų85.78%0.07941%0.411CS..Hα-helixtrans-67.5-40178.8-70.1172.7000111.4R79 A80 R85 K86 S87 I175 L179R79-L83 WeakPolarHBondContact O-CB 3.4Å; R79-L83 WeakPolarHBondContact O-CG 3.45Å; R79-L83 PolarHBondContact O-N 3.03Å; A80-L83 PolarHBondContact O-N 3.23Å; L83-R85 PolarHBondContact O-N 3.1Å; L83-K86 PolarHBondContact O-N 3.11Å; L83-S87 WeakPolarHBondContact O-CB 3.38Å; L83-S87 PolarHBondContact O-N 3.02Å; L83-I175 HydrophobicContact CB-CG2 4.26Å; L83-I175 HydrophobicContact CD2-CG2 4.33Å; L83-L179 HydrophobicContact CB-CD2 4.02Å; L83-L179 HydrophobicContact CD1-CD2 3.67Å; L83-L179 HydrophobicContact CD1-CG 4.13Å
84Q89.4Confident88Confident105 Ų10586.3 Ų86.349%0.49142%0.416SS..Hα-helixtrans-60.8-43.6172.5-76.1178.54.400112A80 V81 K86 S87 R88A80-Q84 WeakPolarHBondContact O-CB 3.49Å; A80-Q84 VanDerWaalsContact O-CG 3.29Å; A80-Q84 WeakPolarHBondContact O-CG 3.2Å; A80-Q84 PolarHBondContact O-N 2.78Å; V81-Q84 PolarHBondContact O-N 3.29Å; Q84-K86 VanDerWaalsContact C-N 3.32Å; Q84-K86 PolarHBondContact O-N 3.04Å; Q84-S87 WeakPolarHBondContact O-CB 3.35Å; Q84-S87 PolarHBondContact O-N 3.27Å; Q84-R88 WeakPolarHBondContact O-CG 3.36Å; Q84-R88 PolarHBondContact O-N 2.99Å
85R90.8Very high88.2Confident168 Ų16883.3 Ų83.363%0.63440%0.399SS*.Hα-helixtrans-60.3-44.1174.5179.1179.9171.8168.34111.2V81 F82 L83 S87 R88 E89V81-R85 WeakPolarHBondContact O-CB 3.33Å; V81-R85 PolarHBondContact O-N 2.73Å; F82-R85 PolarHBondContact O-N 3.3Å; L83-R85 PolarHBondContact O-N 3.1Å; R85-S87 VanDerWaalsContact C-N 3.34Å; R85-R88 PolarHBondContact O-N 2.84Å; R85-E89 IonicContact NE-OE1 3.55Å; R85-E89 PolarHBondContact O-N 3.39Å
86K90.1Very high88.6Confident81 Ų8180.2 Ų80.235%0.35239%0.388SS..Hα-helixtrans-64.6-37.5177.1-75.1-74.2161.7-155.80112.6F82 L83 Q84 E89 I175F82-K86 HydrophobicContact CE1-CG 4.05Å; F82-K86 HydrophobicContact CE2-CG 4.24Å; F82-K86 HydrophobicContact CZ-CD 4.4Å; F82-K86 HydrophobicContact CZ-CG 3.9Å; F82-K86 WeakPolarHBondContact O-CG 3.47Å; F82-K86 PolarHBondContact O-N 2.73Å; L83-K86 PolarHBondContact O-N 3.11Å; Q84-K86 VanDerWaalsContact C-N 3.32Å; Q84-K86 PolarHBondContact O-N 3.04Å; K86-E89 IonicContact NZ-OE1 3.92Å; K86-E89 IonicContact NZ-OE2 2.62Å; K86-E89 PolarHBondContact NZ-OE2 3.16Å; K86-E89 WeakPolarHBondContact O-CB 3.44Å; K86-E89 PolarHBondContact O-N 2.95Å; K86-I175 HydrophobicContact CB-CD1 3.85Å; K86-I175 HydrophobicContact CB-CG1 4.48Å
87S90.4Very high88.9Confident61 Ų6183.2 Ų83.243%0.42740%0.402SS..Hα-helixtrans-61.3-43.4174.5-177.80000111.3L83 Q84 R85 E89 L90L83-S87 WeakPolarHBondContact O-CB 3.38Å; L83-S87 PolarHBondContact O-N 3.02Å; Q84-S87 WeakPolarHBondContact O-CB 3.35Å; Q84-S87 PolarHBondContact O-N 3.27Å; R85-S87 VanDerWaalsContact C-N 3.34Å; S87-E89 PolarHBondContact O-N 3Å; S87-L90 WeakPolarHBondContact O-CB 3.37Å; S87-L90 PolarHBondContact O-N 3.43Å
88R89.3Confident89.3Confident186 Ų18681.8 Ų81.870%0.70240%0.398SS*.Hα-helixtrans-65.7-20.8176.2-67.1175.4-171.4176.64.1114.5Q84 R85 L90 K133Q84-R88 WeakPolarHBondContact O-CG 3.36Å; Q84-R88 PolarHBondContact O-N 2.99Å; R85-R88 PolarHBondContact O-N 2.84Å; R88-L90 VanDerWaalsContact C-N 3.26Å; R88-K133 WeakPolarHBondContact O-CE 3.49Å; R88-K133 PolarHBondContact O-NZ 2.61Å
89E89.1Confident89.5Confident75 Ų7578.8 Ų78.835%0.3538%0.377SS..THydrogen-bonded Turntrans-77.1-14174.5-70.4171.4-169.100112.1R85 K86 S87R85-E89 IonicContact NE-OE1 3.55Å; R85-E89 PolarHBondContact O-N 3.39Å; K86-E89 IonicContact NZ-OE1 3.92Å; K86-E89 IonicContact NZ-OE2 2.62Å; K86-E89 PolarHBondContact NZ-OE2 3.16Å; K86-E89 WeakPolarHBondContact O-CB 3.44Å; K86-E89 PolarHBondContact O-N 2.95Å; S87-E89 PolarHBondContact O-N 3Å
90L90.3Very high89.8Confident21 Ų2180.7 Ų80.711%0.1138%0.384CS..SBendtrans-79.7157.2176.6-59.1-177.7000112.2S87 R88 K133 V168 H171 Q172 I175S87-L90 WeakPolarHBondContact O-CB 3.37Å; S87-L90 PolarHBondContact O-N 3.43Å; R88-L90 VanDerWaalsContact C-N 3.26Å; L90-K133 VanDerWaalsContact O-CD 3.32Å; L90-K133 WeakPolarHBondContact O-CD 3.38Å; L90-K133 PolarHBondContact O-NZ 3.38Å; L90-V168 HydrophobicContact CB-CG1 4.44Å; L90-H171 HydrophobicContact CD1-CB 4.16Å; L90-H171 HydrophobicContact CD2-CB 3.65Å; L90-Q172 HydrophobicContact CD1-CB 3.88Å; L90-I175 HydrophobicContact CD1-CD1 3.87Å; L90-I175 HydrophobicContact CG-CD1 4.44Å
91L89.4Confident90.1Very high11 Ų1185.2 Ų85.26%0.05840%0.398CS..  trans-73.8132.6175.1-65.4167.5000109.7E95 L96 K133 C134 F137 V164 V168L91-E95 VanDerWaalsContact CA-OE2 3.29Å; L91-E95 WeakPolarHBondContact CA-OE2 3.33Å; L91-E95 HydrophobicContact CB-CB 4.45Å; L91-E95 HydrophobicContact CD2-CB 3.93Å; L91-L96 HydrophobicContact CB-CD2 4.08Å; L91-L96 HydrophobicContact CB-CG 4.01Å; L91-L96 HydrophobicContact CD1-CD2 3.96Å; L91-K133 HydrophobicContact CD2-CB 3.76Å; L91-K133 HydrophobicContact CD2-CD 4.34Å; L91-K133 HydrophobicContact CG-CB 4.46Å; L91-C134 WeakPolarHBondContact CD2-SG 3.13Å; L91-F137 HydrophobicContact CD1-CD2 4.17Å; L91-F137 HydrophobicContact CD1-CE2 3.58Å; L91-F137 HydrophobicContact CD1-CZ 4.46Å; L91-F137 HydrophobicContact CG-CE2 4.35Å; L91-V164 HydrophobicContact CD1-CG1 3.69Å; L91-V168 HydrophobicContact CB-CG1 4.47Å; L91-V168 HydrophobicContact CB-CG2 4.04Å; L91-V168 HydrophobicContact CD1-CG2 3.88Å; L91-V168 HydrophobicContact CG-CG2 4.24Å
92D88.7Confident90.2Very high73 Ų7382.9 Ų82.939%0.3938%0.383SS..  trans-87.5175.1169.861.737.3000111.8E94 E95 L96D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 2.73Å; D92-E94 PolarHBondContact OD1-N 3.3Å; D92-E95 PolarHBondContact N-OE2 3.23Å; D92-E95 PolarHBondContact O-N 2.93Å; D92-E95 VanDerWaalsContact OD1-CB 3.28Å; D92-E95 WeakPolarHBondContact OD1-CB 3.42Å; D92-E95 WeakPolarHBondContact OD1-CG 3.23Å; D92-E95 PolarHBondContact OD1-N 3Å; D92-L96 WeakPolarHBondContact O-CB 3.35Å; D92-L96 VanDerWaalsContact O-CG 3.27Å; D92-L96 WeakPolarHBondContact O-CG 3.42Å; D92-L96 PolarHBondContact O-N 3.32Å
93N87.8Confident90.3Very high128 Ų12877.4 Ų77.468%0.68436%0.359SS*.Hα-helixtrans-62.4-35.5-177.2-70.1-16.1000112.6L96 Q97N93-L96 PolarHBondContact O-N 3.24Å; N93-Q97 VanDerWaalsContact O-CG 3.31Å; N93-Q97 WeakPolarHBondContact O-CG 3.37Å; N93-Q97 PolarHBondContact O-N 3.42Å
94E89.7Confident90.3Very high139 Ų13980.1 Ų80.165%0.6537%0.373SS*.Hα-helixtrans-70.4-43.3178.4-64.3-177.7-176.600110.8D92 L96 Q97 N98D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 2.73Å; D92-E94 PolarHBondContact OD1-N 3.3Å; E94-L96 VanDerWaalsContact C-N 3.31Å; E94-L96 PolarHBondContact O-N 3.29Å; E94-Q97 PolarHBondContact O-N 3.49Å; E94-N98 WeakPolarHBondContact O-CB 3.18Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.32Å; E94-N98 PolarHBondContact O-ND2 2.96Å
95E90.8Very high90.4Very high53 Ų5381.8 Ų81.825%0.24838%0.379CS..Hα-helixtrans-62.5-37.2174.7-72.5173.7144.700111.8L91 D92 L99 K133L91-E95 VanDerWaalsContact CA-OE2 3.29Å; L91-E95 WeakPolarHBondContact CA-OE2 3.33Å; L91-E95 HydrophobicContact CB-CB 4.45Å; L91-E95 HydrophobicContact CD2-CB 3.93Å; D92-E95 PolarHBondContact N-OE2 3.23Å; D92-E95 PolarHBondContact O-N 2.93Å; D92-E95 VanDerWaalsContact OD1-CB 3.28Å; D92-E95 WeakPolarHBondContact OD1-CB 3.42Å; D92-E95 WeakPolarHBondContact OD1-CG 3.23Å; D92-E95 PolarHBondContact OD1-N 3Å; E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 PolarHBondContact O-N 2.65Å; E95-K133 VanDerWaalsContact CD-NZ 3.27Å; E95-K133 WeakPolarHBondContact OE1-CD 3.26Å; E95-K133 VanDerWaalsContact OE1-CE 3.31Å; E95-K133 WeakPolarHBondContact OE1-CE 3.12Å; E95-K133 IonicContact OE1-NZ 3.62Å; E95-K133 PolarHBondContact OE1-NZ 2.82Å; E95-K133 WeakPolarHBondContact OE2-CD 3.49Å; E95-K133 IonicContact OE2-NZ 3.26Å; E95-K133 PolarHBondContact OE2-NZ 3.33Å
96L90.9Very high90.3Very high13 Ų1375.1 Ų75.17%0.06836%0.355CS..Hα-helixtrans-67.5-44.2174.3-72.5165.5000111.9L91 D92 N93 E94 N98 L99 W100 F161 V164 M165L91-L96 HydrophobicContact CB-CD2 4.08Å; L91-L96 HydrophobicContact CB-CG 4.01Å; L91-L96 HydrophobicContact CD1-CD2 3.96Å; D92-L96 WeakPolarHBondContact O-CB 3.35Å; D92-L96 VanDerWaalsContact O-CG 3.27Å; D92-L96 WeakPolarHBondContact O-CG 3.42Å; D92-L96 PolarHBondContact O-N 3.32Å; N93-L96 PolarHBondContact O-N 3.24Å; E94-L96 VanDerWaalsContact C-N 3.31Å; E94-L96 PolarHBondContact O-N 3.29Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 3.2Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 2.98Å; L96-W100 PolarHBondContact O-N 2.99Å; L96-F161 WeakPolarHBondContact O-CE2 3.25Å; L96-V164 HydrophobicContact CD2-CG1 4.24Å; L96-M165 HydrophobicContact CB-SD 4.39Å; L96-M165 HydrophobicContact CD1-CE 4.46Å; L96-M165 HydrophobicContact CD1-SD 3.55Å; L96-M165 VanDerWaalsContact CD1-SD 3.55Å; L96-M165 HydrophobicContact CD2-SD 3.7Å; L96-M165 HydrophobicContact CG-SD 4.06Å
97Q90.6Very high90.3Very high140 Ų14075 Ų7565%0.65436%0.356SS*.Hα-helixtrans-61.6-42.6174.2-74.5175.8-3.600111.8N93 E94 L99 W100 F101N93-Q97 VanDerWaalsContact O-CG 3.31Å; N93-Q97 WeakPolarHBondContact O-CG 3.37Å; N93-Q97 PolarHBondContact O-N 3.42Å; E94-Q97 PolarHBondContact O-N 3.49Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 3.49Å; Q97-W100 WeakPolarHBondContact O-CB 3.44Å; Q97-W100 PolarHBondContact O-N 2.99Å; Q97-F101 PolarHBondContact O-N 3.32Å
98N92.1Very high90.1Very high98 Ų9873 Ų7352%0.52434%0.341SS..Hα-helixtrans-62.3-40.2174.9-75.6-43.8000111.9E94 L96 F101 L102E94-N98 WeakPolarHBondContact O-CB 3.18Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.32Å; E94-N98 PolarHBondContact O-ND2 2.96Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 3.2Å; N98-F101 PolarHBondContact O-N 2.84Å; N98-L102 WeakPolarHBondContact O-CB 3.47Å; N98-L102 VanDerWaalsContact O-CG 3.29Å; N98-L102 WeakPolarHBondContact O-CG 3.39Å; N98-L102 PolarHBondContact O-N 2.79Å
99L91.9Very high89.6Confident3 Ų369 Ų692%0.01634%0.339CS..Hα-helixtrans-61.5-45.2175.117763.6000111.4E95 L96 Q97 L102 L103 V126 A130 F138 F161 V164E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 PolarHBondContact O-N 2.65Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 2.98Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 3.49Å; L99-L102 PolarHBondContact O-N 3.14Å; L99-L103 HydrophobicContact CD1-CD1 4.18Å; L99-L103 HydrophobicContact CD1-CG 4.31Å; L99-L103 HydrophobicContact CG-CD1 4.02Å; L99-L103 VanDerWaalsContact O-CG 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 2.79Å; L99-V126 HydrophobicContact CD1-CG1 4.42Å; L99-A130 HydrophobicContact CD1-CB 4.43Å; L99-F138 HydrophobicContact CD1-CE2 3.84Å; L99-F138 HydrophobicContact CD1-CZ 3.73Å; L99-F161 HydrophobicContact CD2-CD2 4.43Å; L99-V164 HydrophobicContact CD2-CB 4.35Å; L99-V164 HydrophobicContact CD2-CG1 3.89Å; L99-V164 HydrophobicContact CD2-CG2 4.36Å
100W91.4Very high89Confident93 Ų9368.6 Ų68.635%0.35234%0.343SS..Hα-helixtrans-57-51.1175.5177.8-98.4000111.5L96 Q97 L102 L103 D104 I157 M158 F161L96-W100 PolarHBondContact O-N 2.99Å; Q97-W100 WeakPolarHBondContact O-CB 3.44Å; Q97-W100 PolarHBondContact O-N 2.99Å; W100-L102 VanDerWaalsContact C-N 3.31Å; W100-L102 PolarHBondContact O-N 3.09Å; W100-L103 PolarHBondContact O-N 2.89Å; W100-L103 VanDerWaalsContact O-N 3.16Å; W100-D104 PolarHBondContact O-N 3.17Å; W100-I157 HydrophobicContact CZ3-CG2 4.27Å; W100-M158 HydrophobicContact CH2-CE 3.67Å; W100-M158 HydrophobicContact CH2-SD 3.95Å; W100-M158 HydrophobicContact CZ3-CE 4.29Å; W100-M158 HydrophobicContact CZ3-SD 3.95Å; W100-F161 HydrophobicContact CB-CD2 4.29Å; W100-F161 HydrophobicContact CB-CE2 3.87Å; W100-F161 HydrophobicContact CB-CZ 4.22Å; W100-F161 HydrophobicContact CE3-CB 3.92Å; W100-F161 AromaticContact CE3-CD1 3.68Å; W100-F161 HydrophobicContact CE3-CD1 3.68Å; W100-F161 AromaticContact CE3-CD2 3.88Å; W100-F161 HydrophobicContact CE3-CD2 3.88Å; W100-F161 HydrophobicContact CE3-CE1 4.13Å; W100-F161 HydrophobicContact CE3-CE2 4.32Å; W100-F161 AromaticContact CE3-CG 3.53Å; W100-F161 HydrophobicContact CE3-CG 3.53Å; W100-F161 HydrophobicContact CE3-CZ 4.43Å; W100-F161 HydrophobicContact CZ3-CB 3.96Å; W100-F161 AromaticContact CZ3-CD1 3.98Å; W100-F161 HydrophobicContact CZ3-CD1 3.98Å; W100-F161 AromaticContact CZ3-CG 3.97Å; W100-F161 HydrophobicContact CZ3-CG 3.97Å
101F91.8Very high87.9Confident126 Ų12671.1 Ų71.155%0.55336%0.355SS*.Hα-helixtrans-59.3-40.1178.8179.8-99000112.9Q97 N98 K105Q97-F101 PolarHBondContact O-N 3.32Å; N98-F101 PolarHBondContact O-N 2.84Å; F101-K105 HydrophobicContact CE1-CD 4.43Å; F101-K105 WeakPolarHBondContact O-CB 3.5Å; F101-K105 PolarHBondContact O-N 3.25Å
102L91.9Very high86.9Confident36 Ų3675 Ų7519%0.18838%0.375CS..Hα-helixtrans-67.5-38.5177.3-73.4173.4000112.5N98 L99 W100 H106 V126 K129N98-L102 WeakPolarHBondContact O-CB 3.47Å; N98-L102 VanDerWaalsContact O-CG 3.29Å; N98-L102 WeakPolarHBondContact O-CG 3.39Å; N98-L102 PolarHBondContact O-N 2.79Å; L99-L102 PolarHBondContact O-N 3.14Å; W100-L102 VanDerWaalsContact C-N 3.31Å; W100-L102 PolarHBondContact O-N 3.09Å; L102-H106 WeakPolarHBondContact O-CB 3.06Å; L102-H106 PolarHBondContact O-CD2 3.4Å; L102-H106 PolarHBondContact O-N 3.49Å; L102-V126 HydrophobicContact CB-CG1 4.05Å; L102-K129 HydrophobicContact CD1-CB 4.48Å
103L91.1Very high86.1Confident0 Ų074.8 Ų74.80%039%0.39CS..Hα-helixtrans-65.5-47.8176.7-71.8165000110.9L99 W100 K105 H106 Q107 I118 V126 F138 I157 F160 F161L99-L103 HydrophobicContact CD1-CD1 4.18Å; L99-L103 HydrophobicContact CD1-CG 4.31Å; L99-L103 HydrophobicContact CG-CD1 4.02Å; L99-L103 VanDerWaalsContact O-CG 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.46Å; L99-L103 PolarHBondContact O-N 2.79Å; W100-L103 PolarHBondContact O-N 2.89Å; W100-L103 VanDerWaalsContact O-N 3.16Å; L103-K105 PolarHBondContact O-N 3.45Å; L103-H106 CarbonylContact O-C 3.43Å; L103-H106 PolarHBondContact O-N 3.24Å; L103-H106 VanDerWaalsContact O-N 3.08Å; L103-Q107 PolarHBondContact O-N 2.97Å; L103-I118 HydrophobicContact CD2-CD1 4.14Å; L103-V126 HydrophobicContact CD2-CG1 3.93Å; L103-V126 HydrophobicContact CG-CG1 4.24Å; L103-F138 HydrophobicContact CD2-CZ 4.47Å; L103-I157 HydrophobicContact CB-CG1 4.4Å; L103-I157 HydrophobicContact CB-CG2 3.63Å; L103-I157 HydrophobicContact CD1-CG2 4.23Å; L103-I157 HydrophobicContact CG-CG2 4.45Å; L103-I157 WeakPolarHBondContact O-CD1 3.45Å; L103-F160 HydrophobicContact CD1-CD1 3.79Å; L103-F160 HydrophobicContact CD1-CE1 4.1Å; L103-F160 HydrophobicContact CD2-CD1 3.87Å; L103-F160 HydrophobicContact CD2-CE1 4.01Å; L103-F161 HydrophobicContact CD1-CB 4.44Å; L103-F161 HydrophobicContact CD1-CD2 4.35Å
104D89.1Confident85.3Confident72 Ų7278.4 Ų78.439%0.38540%0.403SS..Hα-helixtrans-59.2-44.5179.2-172.657.8000111.9W100 H106 Q107W100-D104 PolarHBondContact O-N 3.17Å; D104-H106 PolarHBondContact O-N 3.15Å; D104-H106 VanDerWaalsContact O-N 3.17Å; D104-Q107 WeakPolarHBondContact O-CB 3.42Å; D104-Q107 VanDerWaalsContact O-CG 3.27Å; D104-Q107 WeakPolarHBondContact O-CG 3.42Å; D104-Q107 PolarHBondContact O-N 3.08Å
105K90.8Very high84.8Confident141 Ų14176.3 Ų76.361%0.61339%0.393SS*.Hα-helixtrans-61.5-26.3176.2-176.6171.9-177.9172.40114.1F101 L103F101-K105 HydrophobicContact CE1-CD 4.43Å; F101-K105 WeakPolarHBondContact O-CB 3.5Å; F101-K105 PolarHBondContact O-N 3.25Å; L103-K105 PolarHBondContact O-N 3.45Å
106H89.8Confident84.5Confident27 Ų2774.9 Ų74.913%0.12539%0.39CS..THydrogen-bonded Turntrans-107.720.2-174.4-79.8-71.5000113.3L102 L103 D104 I118 N122 V126 K129L102-H106 WeakPolarHBondContact O-CB 3.06Å; L102-H106 PolarHBondContact O-CD2 3.4Å; L102-H106 PolarHBondContact O-N 3.49Å; L103-H106 CarbonylContact O-C 3.43Å; L103-H106 PolarHBondContact O-N 3.24Å; L103-H106 VanDerWaalsContact O-N 3.08Å; D104-H106 PolarHBondContact O-N 3.15Å; D104-H106 VanDerWaalsContact O-N 3.17Å; H106-I118 HydrophobicContact CB-CD1 4.41Å; H106-N122 HydrophobicContact CB-CB 4.4Å; H106-N122 WeakPolarHBondContact O-CB 3.3Å; H106-N122 PolarHBondContact O-ND2 3.03Å; H106-V126 HydrophobicContact CB-CG2 3.48Å; H106-V126 VanDerWaalsContact CB-CG2 3.48Å; H106-K129 PolarHBondContact CE1-NZ 3.34Å; H106-K129 PolarHBondContact NE2-NZ 3.4Å
107Q89.4Confident84.5Confident79 Ų7974.9 Ų74.937%0.36939%0.39SS..  trans-60.1150.5174.767.4-174.9-4.300113.4L103 D104 M111 M117 I157L103-Q107 PolarHBondContact O-N 2.97Å; D104-Q107 WeakPolarHBondContact O-CB 3.42Å; D104-Q107 VanDerWaalsContact O-CG 3.27Å; D104-Q107 WeakPolarHBondContact O-CG 3.42Å; D104-Q107 PolarHBondContact O-N 3.08Å; Q107-M111 HydrophobicContact CB-CE 4.05Å; Q107-M111 HydrophobicContact CG-CE 3.78Å; Q107-M117 CarbonylContact C-O 3.58Å; Q107-M117 WeakPolarHBondContact CA-O 3.32Å; Q107-I157 HydrophobicContact CB-CD1 3.91Å
108T85.9Confident84.5Confident20 Ų2068.2 Ų68.212%0.12336%0.359CS..  trans-120.4108.7-173.9-480000110.5M117 N119 N122 R154T108-M117 PolarHBondContact N-O 3.09Å; T108-N119 HydrophobicContact CG2-CB 4.12Å; T108-N119 PolarHBondContact OG1-N 3.28Å; T108-N122 PolarHBondContact OG1-ND2 3Å; T108-R154 PolarHBondContact O-NH1 3.17Å
109P79.3Confident84.5Confident101 Ų10165.4 Ų65.466%0.65634%0.344SS*.SBendtrans-61159.9176.7-20.731.7000113.1R154P109-R154 PolarHBondContact O-NH1 2.94Å
110P77.3Confident84.4Confident67 Ų6769.7 Ų69.744%0.43536%0.36SS..SBendcis-79.7150.1-3.431.8-35.7000112.8R154P110-R154 VanDerWaalsContact CD-NH1 3.31Å; P110-R154 PolarHBondContact O-NH1 3.05Å
111M67.3Low84.4Confident73 Ų7371.4 Ų71.436%0.3637%0.372SS..PPolyproline II helixtrans-67.9138.3170.8-61.5-51.4173.600110.3Q107 A116Q107-M111 HydrophobicContact CB-CE 4.05Å; Q107-M111 HydrophobicContact CG-CE 3.78Å; M111-A116 HydrophobicContact SD-CB 4.48Å
112I67.1Low84.3Confident92 Ų9266.6 Ų66.647%0.47235%0.353SS..BIsolated β-bridgetrans-9795.7170.4-58175.7000105.7E114 E115 M117I112-E114 PolarHBondContact O-N 3.05Å; I112-E115 PolarHBondContact O-N 3.47Å; I112-M117 HydrophobicContact CD1-CE 4.49Å
113G72.9Confident84.3Confident69 Ų6964.9 Ų64.971%0.71134%0.344SS*.THydrogen-bonded Turntrans67.1-128.8-17100000112
114E69.9Low84.3Confident204 Ų20468.2 Ų68.295%0.95336%0.361SS*.THydrogen-bonded Turntrans-92.7-1176.6-63.4-174169.400113.5I112I112-E114 PolarHBondContact O-N 3.05Å
115E78.9Confident84.4Confident95 Ų9569 Ų6944%0.44436%0.361SS..BIsolated β-bridgetrans-83.6121.8-176.3-70.8-160.9-166.200113I112 S156I112-E115 PolarHBondContact O-N 3.47Å; E115-S156 VanDerWaalsContact OE2-CB 3.29Å; E115-S156 WeakPolarHBondContact OE2-CB 3.23Å; E115-S156 PolarHBondContact OE2-OG 3.31Å
116A86.2Confident84.4Confident23 Ų2362.3 Ų62.319%0.1933%0.332CS..  trans-73.5123.5171.500000111M111 I157M111-A116 HydrophobicContact SD-CB 4.48Å; A116-I157 HydrophobicContact CB-CB 4.37Å; A116-I157 HydrophobicContact CB-CD1 3.82Å; A116-I157 WeakPolarHBondContact O-CB 3.4Å; A116-I157 PolarHBondContact O-N 2.65Å
117M89.4Confident84.3Confident14 Ų1461.4 Ų61.47%0.06933%0.33CS..EExtended strand (participates in β ladder)trans-109.5151.2-175.6-59.8-62.2-75.100111.7Q107 T108 I112 R154 I155Q107-M117 CarbonylContact C-O 3.58Å; Q107-M117 WeakPolarHBondContact CA-O 3.32Å; T108-M117 PolarHBondContact N-O 3.09Å; I112-M117 HydrophobicContact CD1-CE 4.49Å; M117-R154 HydrophobicContact CB-CB 4.13Å; M117-R154 HydrophobicContact CE-CB 4.02Å; M117-I155 CarbonylContact C-O 3.51Å; M117-I155 WeakPolarHBondContact CA-O 3.37Å
118I91.1Very high84.3Confident0 Ų065.2 Ų65.20%035%0.348CS..EExtended strand (participates in β ladder)trans-133.1131.6175.6-167.1168.5000111.7L103 H106 N122 F123 V126 R154 I155 I157L103-I118 HydrophobicContact CD2-CD1 4.14Å; H106-I118 HydrophobicContact CB-CD1 4.41Å; I118-N122 HydrophobicContact CD1-CB 4.09Å; I118-N122 HydrophobicContact CG1-CB 3.76Å; I118-F123 HydrophobicContact CD1-CB 4.42Å; I118-F123 HydrophobicContact CG1-CB 4.46Å; I118-V126 HydrophobicContact CD1-CG2 4.01Å; I118-R154 WeakPolarHBondContact O-CA 3.31Å; I118-R154 WeakPolarHBondContact O-CB 3.36Å; I118-I155 HydrophobicContact CG2-CD1 4.15Å; I118-I155 HydrophobicContact CG2-CG1 3.53Å; I118-I155 PolarHBondContact N-O 3.43Å; I118-I155 PolarHBondContact O-N 3.39Å; I118-I157 HydrophobicContact CB-CD1 4.21Å; I118-I157 HydrophobicContact CB-CG1 3.91Å; I118-I157 HydrophobicContact CG2-CG1 3.91Å
119N91Very high84.5Confident38 Ų3870.3 Ų70.320%0.20337%0.368CS..  trans-81.1168.9173.473.65.3000111.7T108 E121 N122 F123 R154T108-N119 HydrophobicContact CG2-CB 4.12Å; T108-N119 PolarHBondContact OG1-N 3.28Å; N119-E121 VanDerWaalsContact C-N 3.33Å; N119-E121 PolarHBondContact O-N 2.75Å; N119-E121 PolarHBondContact OD1-N 3.3Å; N119-N122 PolarHBondContact O-N 3.36Å; N119-N122 WeakPolarHBondContact OD1-CB 3.47Å; N119-N122 VanDerWaalsContact OD1-CG 3.31Å; N119-N122 PolarHBondContact OD1-N 3.31Å; N119-N122 PolarHBondContact OD1-ND2 3.4Å; N119-F123 VanDerWaalsContact O-CB 3.28Å; N119-F123 WeakPolarHBondContact O-CB 3.1Å; N119-F123 PolarHBondContact O-N 3.45Å; N119-R154 HydrophobicContact CB-CG 4.02Å
120Y90.8Very high84.6Confident93 Ų9365.8 Ų65.837%0.36534%0.339SS..Hα-helixtrans-64.5-34.2-176.5-171.3-118.6000113.7F123 L124 F143Y120-F123 HydrophobicContact CD2-CD1 4.08Å; Y120-F123 HydrophobicContact CE2-CD1 4.07Å; Y120-F123 HydrophobicContact CE2-CE1 4.45Å; Y120-F123 WeakPolarHBondContact O-CB 3.19Å; Y120-F123 PolarHBondContact O-N 3.41Å; Y120-L124 HydrophobicContact CD1-CD1 4.13Å; Y120-L124 HydrophobicContact CE1-CD1 3.65Å; Y120-L124 HydrophobicContact CE1-CG 4.2Å; Y120-L124 HydrophobicContact CE2-CD2 4.33Å; Y120-L124 HydrophobicContact CE2-CG 4.32Å; Y120-L124 WeakPolarHBondContact O-CG 3.04Å; Y120-L124 PolarHBondContact O-N 2.77Å; Y120-F143 HydrophobicContact CD2-CB 4.08Å; Y120-F143 AromaticContact CD2-CD1 3.75Å; Y120-F143 HydrophobicContact CD2-CD1 3.75Å; Y120-F143 AromaticContact CD2-CD2 3.75Å; Y120-F143 HydrophobicContact CD2-CD2 3.75Å; Y120-F143 HydrophobicContact CD2-CE1 4.11Å; Y120-F143 HydrophobicContact CD2-CE2 4.09Å; Y120-F143 AromaticContact CD2-CG 3.57Å; Y120-F143 HydrophobicContact CD2-CG 3.57Å; Y120-F143 HydrophobicContact CD2-CZ 4.27Å; Y120-F143 HydrophobicContact CE2-CB 4.14Å; Y120-F143 HydrophobicContact CE2-CD1 4.5Å; Y120-F143 HydrophobicContact CE2-CG 4.15Å; Y120-F143 HydrophobicContact CG-CD1 4.44Å; Y120-F143 HydrophobicContact CG-CE1 4.41Å
121E90.6Very high84.9Confident129 Ų12964.8 Ų64.860%0.60334%0.341SS*.Hα-helixtrans-65.4-46.9178.3-65-176.917900112.1N119 F123 L124 K125N119-E121 VanDerWaalsContact C-N 3.33Å; N119-E121 PolarHBondContact O-N 2.75Å; N119-E121 PolarHBondContact OD1-N 3.3Å; E121-F123 VanDerWaalsContact C-N 3.33Å; E121-L124 PolarHBondContact O-N 3.38Å; E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 3.06Å
122N90.2Very high85.8Confident26 Ų2665.3 Ų65.314%0.13936%0.357CS..Hα-helixtrans-70.6-33.5178-70.4-24.4000110.9H106 T108 I118 N119 L124 K125 V126H106-N122 HydrophobicContact CB-CB 4.4Å; H106-N122 WeakPolarHBondContact O-CB 3.3Å; H106-N122 PolarHBondContact O-ND2 3.03Å; T108-N122 PolarHBondContact OG1-ND2 3Å; I118-N122 HydrophobicContact CD1-CB 4.09Å; I118-N122 HydrophobicContact CG1-CB 3.76Å; N119-N122 PolarHBondContact O-N 3.36Å; N119-N122 WeakPolarHBondContact OD1-CB 3.47Å; N119-N122 VanDerWaalsContact OD1-CG 3.31Å; N119-N122 PolarHBondContact OD1-N 3.31Å; N119-N122 PolarHBondContact OD1-ND2 3.4Å; N122-L124 VanDerWaalsContact C-N 3.33Å; N122-L124 PolarHBondContact O-N 2.98Å; N122-K125 PolarHBondContact O-N 3.12Å; N122-K125 PolarHBondContact OD1-NZ 2.89Å; N122-K125 VanDerWaalsContact OD1-NZ 3.12Å; N122-V126 WeakPolarHBondContact O-CG2 3.49Å; N122-V126 PolarHBondContact O-N 3.33Å
123F91.6Very high86.8Confident0 Ų063.6 Ų63.60%035%0.346CS..Hα-helixtrans-56.7-45170.6178.3-97.4000112I118 N119 Y120 E121 V126 G127 F138 F143 I155 F160I118-F123 HydrophobicContact CD1-CB 4.42Å; I118-F123 HydrophobicContact CG1-CB 4.46Å; N119-F123 VanDerWaalsContact O-CB 3.28Å; N119-F123 WeakPolarHBondContact O-CB 3.1Å; N119-F123 PolarHBondContact O-N 3.45Å; Y120-F123 HydrophobicContact CD2-CD1 4.08Å; Y120-F123 HydrophobicContact CE2-CD1 4.07Å; Y120-F123 HydrophobicContact CE2-CE1 4.45Å; Y120-F123 WeakPolarHBondContact O-CB 3.19Å; Y120-F123 PolarHBondContact O-N 3.41Å; E121-F123 VanDerWaalsContact C-N 3.33Å; F123-V126 PolarHBondContact O-N 3.45Å; F123-G127 PolarHBondContact O-N 3.46Å; F123-F138 AromaticContact CD1-CD1 3.97Å; F123-F138 HydrophobicContact CD1-CD1 3.97Å; F123-F138 AromaticContact CD2-CD1 3.78Å; F123-F138 HydrophobicContact CD2-CD1 3.78Å; F123-F138 AromaticContact CD2-CE1 3.82Å; F123-F138 HydrophobicContact CD2-CE1 3.82Å; F123-F138 HydrophobicContact CE1-CB 4.11Å; F123-F138 AromaticContact CE1-CD1 3.75Å; F123-F138 HydrophobicContact CE1-CD1 3.75Å; F123-F138 HydrophobicContact CE1-CG 4.37Å; F123-F138 AromaticContact CE2-CD1 3.55Å; F123-F138 HydrophobicContact CE2-CD1 3.55Å; F123-F138 AromaticContact CE2-CE1 3.79Å; F123-F138 HydrophobicContact CE2-CE1 3.79Å; F123-F138 HydrophobicContact CE2-CG 4.49Å; F123-F138 AromaticContact CG-CD1 3.99Å; F123-F138 HydrophobicContact CG-CD1 3.99Å; F123-F138 HydrophobicContact CG-CE1 4.32Å; F123-F138 HydrophobicContact CZ-CB 4.21Å; F123-F138 AromaticContact CZ-CD1 3.56Å; F123-F138 HydrophobicContact CZ-CD1 3.56Å; F123-F138 HydrophobicContact CZ-CE1 4.27Å; F123-F138 HydrophobicContact CZ-CG 4.17Å; F123-F138 WeakPolarHBondContact O-CD1 3.42Å; F123-F138 WeakPolarHBondContact O-CE1 3.48Å; F123-F143 HydrophobicContact CB-CD2 4.04Å; F123-F143 HydrophobicContact CB-CE2 4Å; F123-F143 HydrophobicContact CD1-CB 4.49Å; F123-F143 AromaticContact CD1-CD2 3.85Å; F123-F143 HydrophobicContact CD1-CD2 3.85Å; F123-F143 AromaticContact CD2-CD2 3.91Å; F123-F143 HydrophobicContact CD2-CD2 3.91Å; F123-F143 HydrophobicContact CD2-CE2 4.43Å; F123-F143 HydrophobicContact CE1-CB 4.14Å; F123-F143 HydrophobicContact CE1-CD2 4.21Å; F123-F143 HydrophobicContact CE2-CD2 4.25Å; F123-F143 AromaticContact CG-CD2 3.67Å; F123-F143 HydrophobicContact CG-CD2 3.67Å; F123-F143 HydrophobicContact CG-CE2 4.14Å; F123-F143 HydrophobicContact CZ-CB 4.34Å; F123-F143 HydrophobicContact CZ-CD2 4.39Å; F123-I155 HydrophobicContact CD2-CD1 4.07Å; F123-I155 HydrophobicContact CE2-CD1 4.11Å; F123-F160 HydrophobicContact CE2-CD1 4.36Å; F123-F160 AromaticContact CE2-CD2 3.89Å; F123-F160 HydrophobicContact CE2-CD2 3.89Å; F123-F160 HydrophobicContact CE2-CE1 4.06Å; F123-F160 AromaticContact CE2-CE2 3.54Å; F123-F160 HydrophobicContact CE2-CE2 3.54Å; F123-F160 HydrophobicContact CE2-CG 4.28Å; F123-F160 AromaticContact CE2-CZ 3.62Å; F123-F160 HydrophobicContact CE2-CZ 3.62Å; F123-F160 AromaticContact CZ-CE2 3.95Å; F123-F160 HydrophobicContact CZ-CE2 3.95Å; F123-F160 HydrophobicContact CZ-CZ 4.16Å
124L91.5Very high87.5Confident69 Ų6960.6 Ų60.636%0.36131%0.314SS..Hα-helixtrans-66.2-42.2175.1-69.3176.4000112.3Y120 E121 N122 V126 G127 E128Y120-L124 HydrophobicContact CD1-CD1 4.13Å; Y120-L124 HydrophobicContact CE1-CD1 3.65Å; Y120-L124 HydrophobicContact CE1-CG 4.2Å; Y120-L124 HydrophobicContact CE2-CD2 4.33Å; Y120-L124 HydrophobicContact CE2-CG 4.32Å; Y120-L124 WeakPolarHBondContact O-CG 3.04Å; Y120-L124 PolarHBondContact O-N 2.77Å; E121-L124 PolarHBondContact O-N 3.38Å; N122-L124 VanDerWaalsContact C-N 3.33Å; N122-L124 PolarHBondContact O-N 2.98Å; L124-V126 VanDerWaalsContact C-N 3.31Å; L124-V126 PolarHBondContact O-N 3.47Å; L124-G127 CarbonylContact O-C 3.52Å; L124-G127 WeakPolarHBondContact O-CA 3.25Å; L124-G127 PolarHBondContact O-N 3Å; L124-G127 VanDerWaalsContact O-N 3.08Å; L124-E128 PolarHBondContact O-N 2.96Å
125K90.6Very high88.3Confident90 Ų9057 Ų5739%0.39130%0.295SS..Hα-helixtrans-60-40.4175.9-69.8172-165.21590112.1E121 N122 E128 K129E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 3.06Å; N122-K125 PolarHBondContact O-N 3.12Å; N122-K125 PolarHBondContact OD1-NZ 2.89Å; N122-K125 VanDerWaalsContact OD1-NZ 3.12Å; K125-E128 PolarHBondContact O-N 3.06Å; K125-K129 WeakPolarHBondContact O-CG 3.33Å; K125-K129 PolarHBondContact O-N 3.38Å
126V91.4Very high88.8Confident0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-65.1-44173.7176.10000109.6L99 L102 L103 H106 I118 N122 F123 L124 E128 K129 A130 F138L99-V126 HydrophobicContact CD1-CG1 4.42Å; L102-V126 HydrophobicContact CB-CG1 4.05Å; L103-V126 HydrophobicContact CD2-CG1 3.93Å; L103-V126 HydrophobicContact CG-CG1 4.24Å; H106-V126 HydrophobicContact CB-CG2 3.48Å; H106-V126 VanDerWaalsContact CB-CG2 3.48Å; I118-V126 HydrophobicContact CD1-CG2 4.01Å; N122-V126 WeakPolarHBondContact O-CG2 3.49Å; N122-V126 PolarHBondContact O-N 3.33Å; F123-V126 PolarHBondContact O-N 3.45Å; L124-V126 VanDerWaalsContact C-N 3.31Å; L124-V126 PolarHBondContact O-N 3.47Å; V126-E128 VanDerWaalsContact C-N 3.28Å; V126-E128 PolarHBondContact O-N 3.23Å; V126-K129 CarbonylContact O-C 3.58Å; V126-K129 PolarHBondContact O-N 2.96Å; V126-K129 VanDerWaalsContact O-N 3.16Å; V126-A130 WeakPolarHBondContact O-CB 3.44Å; V126-A130 PolarHBondContact O-N 3.25Å; V126-F138 HydrophobicContact CB-CE1 3.99Å; V126-F138 HydrophobicContact CB-CZ 4.23Å; V126-F138 HydrophobicContact CG1-CE1 3.83Å; V126-F138 HydrophobicContact CG1-CZ 3.55Å
127G88.7Confident89.1Confident8 Ų857.2 Ų57.28%0.08229%0.292CS..Hα-helixtrans-60.9-30.4177.300000115.1F123 L124 F138F123-G127 PolarHBondContact O-N 3.46Å; L124-G127 CarbonylContact O-C 3.52Å; L124-G127 WeakPolarHBondContact O-CA 3.25Å; L124-G127 PolarHBondContact O-N 3Å; L124-G127 VanDerWaalsContact O-N 3.08Å; G127-F138 VanDerWaalsContact CA-CG 3.45Å
128E89.3Confident89.1Confident159 Ų15957.5 Ų57.574%0.74329%0.293SS*.Hα-helixtrans-74.4-37.6173.8-72.6-176.9168.900113L124 K125 V126L124-E128 PolarHBondContact O-N 2.96Å; K125-E128 PolarHBondContact O-N 3.06Å; V126-E128 VanDerWaalsContact C-N 3.28Å; V126-E128 PolarHBondContact O-N 3.23Å
129K88.5Confident89.2Confident126 Ų12660.1 Ų60.155%0.54831%0.309SS..Hα-helixtrans-81.3-26.5178.2-68.2179.2-175.6-179.40112.8L102 H106 K125 V126L102-K129 HydrophobicContact CD1-CB 4.48Å; H106-K129 PolarHBondContact CE1-NZ 3.34Å; H106-K129 PolarHBondContact NE2-NZ 3.4Å; K125-K129 WeakPolarHBondContact O-CG 3.33Å; K125-K129 PolarHBondContact O-N 3.38Å; V126-K129 CarbonylContact O-C 3.58Å; V126-K129 PolarHBondContact O-N 2.96Å; V126-K129 VanDerWaalsContact O-N 3.16Å
130A81.8Confident89.2Confident7 Ų761 Ų616%0.05832%0.321CS..SBendtrans-68.5143.9175.600000109.3L99 V126 C134 F138L99-A130 HydrophobicContact CD1-CB 4.43Å; V126-A130 WeakPolarHBondContact O-CB 3.44Å; V126-A130 PolarHBondContact O-N 3.25Å; A130-C134 HydrophobicContact CB-CB 3.58Å; A130-F138 HydrophobicContact CB-CE2 4Å
131G83.4Confident89.2Confident45 Ų4563.7 Ų63.746%0.46434%0.335SS..  trans-55.1163.8-17700000113.5K133 C134G131-K133 PolarHBondContact O-N 3.1Å; G131-C134 WeakPolarHBondContact O-CB 3.39Å; G131-C134 PolarHBondContact O-N 2.9Å
132A86.8Confident89.3Confident84 Ų8458 Ų5869%0.69431%0.309SS*.THydrogen-bonded Turntrans-54.7-31.9-176.700000113.6C134 K135A132-C134 VanDerWaalsContact C-N 3.35Å; A132-K135 PolarHBondContact O-N 3.07Å
133K88.7Confident89.3Confident57 Ų5757.5 Ų57.525%0.24831%0.306CS..THydrogen-bonded Turntrans-65.8-33176.6-58.1-177.5-170.3171.10113.3R88 L90 L91 E95 G131 K135 Q136R88-K133 WeakPolarHBondContact O-CE 3.49Å; R88-K133 PolarHBondContact O-NZ 2.61Å; L90-K133 VanDerWaalsContact O-CD 3.32Å; L90-K133 WeakPolarHBondContact O-CD 3.38Å; L90-K133 PolarHBondContact O-NZ 3.38Å; L91-K133 HydrophobicContact CD2-CB 3.76Å; L91-K133 HydrophobicContact CD2-CD 4.34Å; L91-K133 HydrophobicContact CG-CB 4.46Å; E95-K133 VanDerWaalsContact CD-NZ 3.27Å; E95-K133 WeakPolarHBondContact OE1-CD 3.26Å; E95-K133 VanDerWaalsContact OE1-CE 3.31Å; E95-K133 WeakPolarHBondContact OE1-CE 3.12Å; E95-K133 IonicContact OE1-NZ 3.62Å; E95-K133 PolarHBondContact OE1-NZ 2.82Å; E95-K133 WeakPolarHBondContact OE2-CD 3.49Å; E95-K133 IonicContact OE2-NZ 3.26Å; E95-K133 PolarHBondContact OE2-NZ 3.33Å; G131-K133 PolarHBondContact O-N 3.1Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 3.04Å; K133-Q136 WeakPolarHBondContact O-CG 3.41Å; K133-Q136 PolarHBondContact O-NE2 2.86Å
134C86.9Confident89.2Confident5 Ų560.6 Ų60.63%0.03433%0.331CS..G310 helixtrans-73-24.4-178.5-70.40000113L91 A130 G131 A132 Q136 F137 F138L91-C134 WeakPolarHBondContact CD2-SG 3.13Å; A130-C134 HydrophobicContact CB-CB 3.58Å; G131-C134 WeakPolarHBondContact O-CB 3.39Å; G131-C134 PolarHBondContact O-N 2.9Å; A132-C134 VanDerWaalsContact C-N 3.35Å; C134-Q136 PolarHBondContact O-N 2.97Å; C134-F137 WeakPolarHBondContact O-CB 3.47Å; C134-F137 WeakPolarHBondContact O-CD2 3.09Å; C134-F137 PolarHBondContact O-N 3.18Å; C134-F138 HydrophobicContact CB-CD2 4.23Å; C134-F138 HydrophobicContact CB-CE2 4.03Å; C134-F138 WeakPolarHBondContact O-CD2 3.42Å
135K87.5Confident89.1Confident128 Ų12863.8 Ų63.856%0.55734%0.342SS*.G310 helixtrans-54.2-31.1-172.7-69-174.7176.1-175.60113.8A132 K133 F137 F138A132-K135 PolarHBondContact O-N 3.07Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 3.04Å; K135-F137 PolarHBondContact O-N 3.39Å; K135-F138 PolarHBondContact O-N 3.22Å
136Q89.5Confident89Confident113 Ų11360.7 Ų60.753%0.52833%0.33SS..G310 helixtrans-64.8-24.1177.668.2-173.3-20.900114K133 C134K133-Q136 WeakPolarHBondContact O-CG 3.41Å; K133-Q136 PolarHBondContact O-NE2 2.86Å; C134-Q136 PolarHBondContact O-N 2.97Å
137F90.9Very high88.8Confident11 Ų1164.1 Ų64.15%0.04835%0.348CS..THydrogen-bonded Turntrans-87.5-27.4178.4-53.9-66.3000112.3L91 C134 K135 T139 V142 F160 Y163 V164 K167 V168L91-F137 HydrophobicContact CD1-CD2 4.17Å; L91-F137 HydrophobicContact CD1-CE2 3.58Å; L91-F137 HydrophobicContact CD1-CZ 4.46Å; L91-F137 HydrophobicContact CG-CE2 4.35Å; C134-F137 WeakPolarHBondContact O-CB 3.47Å; C134-F137 WeakPolarHBondContact O-CD2 3.09Å; C134-F137 PolarHBondContact O-N 3.18Å; K135-F137 PolarHBondContact O-N 3.39Å; F137-T139 VanDerWaalsContact C-N 3.27Å; F137-T139 PolarHBondContact O-N 3.28Å; F137-V142 WeakPolarHBondContact O-CB 3.4Å; F137-F160 HydrophobicContact CB-CE2 4.38Å; F137-F160 HydrophobicContact CB-CZ 4.19Å; F137-Y163 HydrophobicContact CD1-CE1 4.33Å; F137-V164 HydrophobicContact CB-CG2 3.85Å; F137-V164 HydrophobicContact CD1-CG1 4.48Å; F137-V164 HydrophobicContact CD1-CG2 4.22Å; F137-V164 HydrophobicContact CD2-CG1 3.87Å; F137-V164 HydrophobicContact CD2-CG2 4.27Å; F137-V164 HydrophobicContact CE1-CG1 4.5Å; F137-V164 HydrophobicContact CE2-CG1 3.91Å; F137-V164 HydrophobicContact CG-CG1 4.18Å; F137-V164 HydrophobicContact CG-CG2 3.86Å; F137-V164 HydrophobicContact CZ-CG1 4.23Å; F137-K167 HydrophobicContact CE1-CB 3.76Å; F137-K167 HydrophobicContact CE1-CG 4.39Å; F137-V168 HydrophobicContact CE2-CG2 4.36Å; F137-V168 HydrophobicContact CZ-CG2 3.93Å
138F91.3Very high88.2Confident19 Ų1969.5 Ų69.58%0.08337%0.371CS..  trans-83.561.9-179.4-72.3-86.3000112.4L99 L103 F123 V126 G127 A130 C134 K135 F160L99-F138 HydrophobicContact CD1-CE2 3.84Å; L99-F138 HydrophobicContact CD1-CZ 3.73Å; L103-F138 HydrophobicContact CD2-CZ 4.47Å; F123-F138 AromaticContact CD1-CD1 3.97Å; F123-F138 HydrophobicContact CD1-CD1 3.97Å; F123-F138 AromaticContact CD2-CD1 3.78Å; F123-F138 HydrophobicContact CD2-CD1 3.78Å; F123-F138 AromaticContact CD2-CE1 3.82Å; F123-F138 HydrophobicContact CD2-CE1 3.82Å; F123-F138 HydrophobicContact CE1-CB 4.11Å; F123-F138 AromaticContact CE1-CD1 3.75Å; F123-F138 HydrophobicContact CE1-CD1 3.75Å; F123-F138 HydrophobicContact CE1-CG 4.37Å; F123-F138 AromaticContact CE2-CD1 3.55Å; F123-F138 HydrophobicContact CE2-CD1 3.55Å; F123-F138 AromaticContact CE2-CE1 3.79Å; F123-F138 HydrophobicContact CE2-CE1 3.79Å; F123-F138 HydrophobicContact CE2-CG 4.49Å; F123-F138 AromaticContact CG-CD1 3.99Å; F123-F138 HydrophobicContact CG-CD1 3.99Å; F123-F138 HydrophobicContact CG-CE1 4.32Å; F123-F138 HydrophobicContact CZ-CB 4.21Å; F123-F138 AromaticContact CZ-CD1 3.56Å; F123-F138 HydrophobicContact CZ-CD1 3.56Å; F123-F138 HydrophobicContact CZ-CE1 4.27Å; F123-F138 HydrophobicContact CZ-CG 4.17Å; F123-F138 WeakPolarHBondContact O-CD1 3.42Å; F123-F138 WeakPolarHBondContact O-CE1 3.48Å; V126-F138 HydrophobicContact CB-CE1 3.99Å; V126-F138 HydrophobicContact CB-CZ 4.23Å; V126-F138 HydrophobicContact CG1-CE1 3.83Å; V126-F138 HydrophobicContact CG1-CZ 3.55Å; G127-F138 VanDerWaalsContact CA-CG 3.45Å; A130-F138 HydrophobicContact CB-CE2 4Å; C134-F138 HydrophobicContact CB-CD2 4.23Å; C134-F138 HydrophobicContact CB-CE2 4.03Å; C134-F138 WeakPolarHBondContact O-CD2 3.42Å; K135-F138 PolarHBondContact O-N 3.22Å; F138-F160 HydrophobicContact CD1-CZ 4.19Å; F138-F160 HydrophobicContact CD2-CZ 4.39Å; F138-F160 AromaticContact CE1-CE1 3.8Å; F138-F160 HydrophobicContact CE1-CE1 3.8Å; F138-F160 AromaticContact CE1-CZ 3.86Å; F138-F160 HydrophobicContact CE1-CZ 3.86Å; F138-F160 HydrophobicContact CE2-CE1 4.21Å; F138-F160 HydrophobicContact CE2-CZ 4.06Å; F138-F160 HydrophobicContact CG-CZ 4.44Å; F138-F160 AromaticContact CZ-CE1 3.59Å; F138-F160 HydrophobicContact CZ-CE1 3.59Å; F138-F160 AromaticContact CZ-CZ 3.78Å; F138-F160 HydrophobicContact CZ-CZ 3.78Å
139T92Very high87Confident55 Ų5569.3 Ų69.334%0.33738%0.381SS..  trans-112.7150177.166.70000111.9F137 K141 V142 F143F137-T139 VanDerWaalsContact C-N 3.27Å; F137-T139 PolarHBondContact O-N 3.28Å; T139-K141 PolarHBondContact O-N 3.23Å; T139-V142 PolarHBondContact O-N 2.58Å; T139-V142 VanDerWaalsContact OG1-CG2 3.3Å; T139-V142 WeakPolarHBondContact OG1-CG2 3.42Å; T139-V142 PolarHBondContact OG1-N 2.94Å; T139-F143 PolarHBondContact O-N 3.36Å
140A91Very high86.4Confident56 Ų5664.5 Ų64.546%0.46336%0.361SS..Hα-helixtrans-55.4-34.2174.900000112.3F143 A144A140-F143 PolarHBondContact O-N 2.69Å; A140-A144 VanDerWaalsContact O-CB 3.32Å; A140-A144 WeakPolarHBondContact O-CB 3.06Å; A140-A144 PolarHBondContact O-N 2.98Å
141K92Very high86Confident150 Ų15069.4 Ų69.465%0.65240%0.395SS*.Hα-helixtrans-66.3-38.5177.3-175.4174.7-177.9174.80112.6T139 K145T139-K141 PolarHBondContact O-N 3.23Å; K141-K145 WeakPolarHBondContact O-CB 3.4Å; K141-K145 VanDerWaalsContact O-CG 3.28Å; K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 2.97Å
142V91.2Very high85.8Confident11 Ų1174.6 Ų74.67%0.06740%0.401CS..Hα-helixtrans-69.6-45.8176.2171.90000109.7F137 T139 A144 K145 L146 F160 Y163F137-V142 WeakPolarHBondContact O-CB 3.4Å; T139-V142 PolarHBondContact O-N 2.58Å; T139-V142 VanDerWaalsContact OG1-CG2 3.3Å; T139-V142 WeakPolarHBondContact OG1-CG2 3.42Å; T139-V142 PolarHBondContact OG1-N 2.94Å; V142-A144 PolarHBondContact O-N 3.47Å; V142-K145 WeakPolarHBondContact O-CB 3.42Å; V142-K145 PolarHBondContact O-N 3.41Å; V142-K145 VanDerWaalsContact O-N 3.16Å; V142-L146 HydrophobicContact CG1-CD1 3.94Å; V142-L146 PolarHBondContact O-N 3.16Å; V142-L146 VanDerWaalsContact O-N 3.14Å; V142-F160 HydrophobicContact CG1-CD2 4.15Å; V142-F160 HydrophobicContact CG1-CE2 3.95Å; V142-Y163 HydrophobicContact CG1-CD1 3.95Å; V142-Y163 HydrophobicContact CG1-CE1 3.67Å; V142-Y163 HydrophobicContact CG2-CE1 3.98Å
143F91.3Very high85.6Confident14 Ų1472 Ų726%0.06138%0.383CS..Hα-helixtrans-57.4-49.7177.1-169.6-86.7000111.8Y120 F123 T139 A140 K145 L146 L147 G153 I155Y120-F143 HydrophobicContact CD2-CB 4.08Å; Y120-F143 AromaticContact CD2-CD1 3.75Å; Y120-F143 HydrophobicContact CD2-CD1 3.75Å; Y120-F143 AromaticContact CD2-CD2 3.75Å; Y120-F143 HydrophobicContact CD2-CD2 3.75Å; Y120-F143 HydrophobicContact CD2-CE1 4.11Å; Y120-F143 HydrophobicContact CD2-CE2 4.09Å; Y120-F143 AromaticContact CD2-CG 3.57Å; Y120-F143 HydrophobicContact CD2-CG 3.57Å; Y120-F143 HydrophobicContact CD2-CZ 4.27Å; Y120-F143 HydrophobicContact CE2-CB 4.14Å; Y120-F143 HydrophobicContact CE2-CD1 4.5Å; Y120-F143 HydrophobicContact CE2-CG 4.15Å; Y120-F143 HydrophobicContact CG-CD1 4.44Å; Y120-F143 HydrophobicContact CG-CE1 4.41Å; F123-F143 HydrophobicContact CB-CD2 4.04Å; F123-F143 HydrophobicContact CB-CE2 4Å; F123-F143 HydrophobicContact CD1-CB 4.49Å; F123-F143 AromaticContact CD1-CD2 3.85Å; F123-F143 HydrophobicContact CD1-CD2 3.85Å; F123-F143 AromaticContact CD2-CD2 3.91Å; F123-F143 HydrophobicContact CD2-CD2 3.91Å; F123-F143 HydrophobicContact CD2-CE2 4.43Å; F123-F143 HydrophobicContact CE1-CB 4.14Å; F123-F143 HydrophobicContact CE1-CD2 4.21Å; F123-F143 HydrophobicContact CE2-CD2 4.25Å; F123-F143 AromaticContact CG-CD2 3.67Å; F123-F143 HydrophobicContact CG-CD2 3.67Å; F123-F143 HydrophobicContact CG-CE2 4.14Å; F123-F143 HydrophobicContact CZ-CB 4.34Å; F123-F143 HydrophobicContact CZ-CD2 4.39Å; T139-F143 PolarHBondContact O-N 3.36Å; A140-F143 PolarHBondContact O-N 2.69Å; F143-K145 VanDerWaalsContact C-N 3.26Å; F143-K145 PolarHBondContact O-N 3.27Å; F143-L146 PolarHBondContact O-N 3.07Å; F143-L147 HydrophobicContact CE1-CD1 4.42Å; F143-L147 PolarHBondContact O-N 2.95Å; F143-G153 WeakPolarHBondContact CZ-O 3.38Å; F143-I155 HydrophobicContact CD1-CG2 4.38Å; F143-I155 HydrophobicContact CD2-CD1 3.56Å; F143-I155 HydrophobicContact CD2-CG1 4.06Å; F143-I155 HydrophobicContact CD2-CG2 4.12Å; F143-I155 HydrophobicContact CE1-CG2 4.15Å; F143-I155 HydrophobicContact CE2-CB 4.39Å; F143-I155 HydrophobicContact CE2-CD1 3.76Å; F143-I155 HydrophobicContact CE2-CG1 3.72Å; F143-I155 HydrophobicContact CE2-CG2 3.88Å; F143-I155 HydrophobicContact CG-CD1 4.44Å; F143-I155 HydrophobicContact CG-CG2 4.36Å; F143-I155 HydrophobicContact CZ-CG1 4.42Å; F143-I155 HydrophobicContact CZ-CG2 3.89Å
144A89.5Confident85.5Confident65 Ų6569.6 Ų69.654%0.53737%0.373SS..Hα-helixtrans-63.9-28.717900000113.6A140 V142A140-A144 VanDerWaalsContact O-CB 3.32Å; A140-A144 WeakPolarHBondContact O-CB 3.06Å; A140-A144 PolarHBondContact O-N 2.98Å; V142-A144 PolarHBondContact O-N 3.47Å
145K89.1Confident85.7Confident136 Ų13669.4 Ų69.459%0.59137%0.371SS*.Hα-helixtrans-73.1-33.9175.9-83.5-178.1171.6-157.80113.3K141 V142 F143 L147K141-K145 WeakPolarHBondContact O-CB 3.4Å; K141-K145 VanDerWaalsContact O-CG 3.28Å; K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 2.97Å; V142-K145 WeakPolarHBondContact O-CB 3.42Å; V142-K145 PolarHBondContact O-N 3.41Å; V142-K145 VanDerWaalsContact O-N 3.16Å; F143-K145 VanDerWaalsContact C-N 3.26Å; F143-K145 PolarHBondContact O-N 3.27Å; K145-L147 VanDerWaalsContact C-N 3.33Å
146L88.8Confident85.9Confident26 Ų2663.5 Ų63.514%0.13635%0.346CS..Hα-helixtrans-89.3-6.4179.7-63.8173000112.2V142 F143 H148 I155 F160V142-L146 HydrophobicContact CG1-CD1 3.94Å; V142-L146 PolarHBondContact O-N 3.16Å; V142-L146 VanDerWaalsContact O-N 3.14Å; F143-L146 PolarHBondContact O-N 3.07Å; L146-H148 PolarHBondContact O-CD2 3.32Å; L146-H148 PolarHBondContact O-N 3Å; L146-H148 VanDerWaalsContact O-N 3.1Å; L146-I155 HydrophobicContact CB-CB 4.38Å; L146-I155 HydrophobicContact CB-CG2 4.11Å; L146-I155 HydrophobicContact CD1-CD1 4.43Å; L146-F160 HydrophobicContact CD1-CB 3.97Å; L146-F160 HydrophobicContact CD1-CD2 3.69Å; L146-F160 HydrophobicContact CD1-CG 4.33Å
147L87.4Confident86Confident71 Ų7158.2 Ų58.237%0.37232%0.322SS..  trans-73.8100.5176.2-173.568.5000109.5F143 K145 R154 I155F143-L147 HydrophobicContact CE1-CD1 4.42Å; F143-L147 PolarHBondContact O-N 2.95Å; K145-L147 VanDerWaalsContact C-N 3.33Å; L147-R154 WeakPolarHBondContact CD1-O 3.44Å; L147-I155 HydrophobicContact CB-CG2 4.26Å; L147-I155 HydrophobicContact CD1-CG2 4.26Å
148H75.2Confident85.9Confident121 Ų12162.2 Ų62.256%0.5634%0.341SS*.  trans-112.9114.7174.9-70.8-70.1000110L146 D150L146-H148 PolarHBondContact O-CD2 3.32Å; L146-H148 PolarHBondContact O-N 3Å; L146-H148 VanDerWaalsContact O-N 3.1Å; H148-D150 PolarHBondContact O-N 3.5Å
149T64.7Low85.9Confident156 Ų15665.1 Ų65.196%0.95736%0.355SS*.SBendtrans45.43215928.20000116.5
150D75.3Confident85.9Confident24 Ų2462.5 Ų62.513%0.12834%0.339CS..  trans-95123.6172.5-176.635.1000109.9H148 Y152 G153 R154H148-D150 PolarHBondContact O-N 3.5Å; D150-Y152 PolarHBondContact O-N 3.4Å; D150-Y152 PolarHBondContact OD1-N 3.08Å; D150-Y152 WeakPolarHBondContact OD2-CB 3.44Å; D150-G153 PolarHBondContact O-N 3.19Å; D150-G153 VanDerWaalsContact O-N 3.16Å; D150-G153 PolarHBondContact OD2-N 3.07Å; D150-R154 IonicContact OD1-NE 3.72Å; D150-R154 IonicContact OD1-NH2 2.61Å; D150-R154 PolarHBondContact OD1-NH2 3.15Å; D150-R154 WeakPolarHBondContact OD2-CA 3.45Å; D150-R154 WeakPolarHBondContact OD2-CB 3.39Å; D150-R154 WeakPolarHBondContact OD2-CG 3.36Å; D150-R154 IonicContact OD2-CZ 2.72Å; D150-R154 PolarHBondContact OD2-N 3.1Å; D150-R154 IonicContact OD2-NE 2.7Å; D150-R154 PolarHBondContact OD2-NE 3.17Å; D150-R154 IonicContact OD2-NH2 2.86Å
151S74Confident86Confident110 Ų11061.2 Ų61.277%0.76932%0.323SS*.THydrogen-bonded Turntrans-63.8-19.217749.50000112.9
152Y78.6Confident85.9Confident154 Ų15457.2 Ų57.260%0.60431%0.309SS*.THydrogen-bonded Turntrans-101.12.8179.4-58.4-86.8000113.8D150D150-Y152 PolarHBondContact O-N 3.4Å; D150-Y152 PolarHBondContact OD1-N 3.08Å; D150-Y152 WeakPolarHBondContact OD2-CB 3.44Å
153G83.4Confident86Confident31 Ų3159.9 Ų59.932%0.3232%0.318SS..  trans7030.9175.600000115F143 D150F143-G153 WeakPolarHBondContact CZ-O 3.38Å; D150-G153 PolarHBondContact O-N 3.19Å; D150-G153 VanDerWaalsContact O-N 3.16Å; D150-G153 PolarHBondContact OD2-N 3.07Å
154R87.1Confident86.1Confident5 Ų559.2 Ų59.22%0.01932%0.315CS..  trans-107.3161.9-178.4-54.3167-66.7173.3-0.6111.9T108 P109 P110 M117 I118 N119 L147 D150T108-R154 PolarHBondContact O-NH1 3.17Å; P109-R154 PolarHBondContact O-NH1 2.94Å; P110-R154 VanDerWaalsContact CD-NH1 3.31Å; P110-R154 PolarHBondContact O-NH1 3.05Å; M117-R154 HydrophobicContact CB-CB 4.13Å; M117-R154 HydrophobicContact CE-CB 4.02Å; I118-R154 WeakPolarHBondContact O-CA 3.31Å; I118-R154 WeakPolarHBondContact O-CB 3.36Å; N119-R154 HydrophobicContact CB-CG 4.02Å; L147-R154 WeakPolarHBondContact CD1-O 3.44Å; D150-R154 IonicContact OD1-NE 3.72Å; D150-R154 IonicContact OD1-NH2 2.61Å; D150-R154 PolarHBondContact OD1-NH2 3.15Å; D150-R154 WeakPolarHBondContact OD2-CA 3.45Å; D150-R154 WeakPolarHBondContact OD2-CB 3.39Å; D150-R154 WeakPolarHBondContact OD2-CG 3.36Å; D150-R154 IonicContact OD2-CZ 2.72Å; D150-R154 PolarHBondContact OD2-N 3.1Å; D150-R154 IonicContact OD2-NE 2.7Å; D150-R154 PolarHBondContact OD2-NE 3.17Å; D150-R154 IonicContact OD2-NH2 2.86Å
155I91.1Very high86.1Confident1 Ų159.6 Ų59.61%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-117.2154174.266.4173.6000110.8M117 I118 F123 F143 L146 L147 F160M117-I155 CarbonylContact C-O 3.51Å; M117-I155 WeakPolarHBondContact CA-O 3.37Å; I118-I155 HydrophobicContact CG2-CD1 4.15Å; I118-I155 HydrophobicContact CG2-CG1 3.53Å; I118-I155 PolarHBondContact N-O 3.43Å; I118-I155 PolarHBondContact O-N 3.39Å; F123-I155 HydrophobicContact CD2-CD1 4.07Å; F123-I155 HydrophobicContact CE2-CD1 4.11Å; F143-I155 HydrophobicContact CD1-CG2 4.38Å; F143-I155 HydrophobicContact CD2-CD1 3.56Å; F143-I155 HydrophobicContact CD2-CG1 4.06Å; F143-I155 HydrophobicContact CD2-CG2 4.12Å; F143-I155 HydrophobicContact CE1-CG2 4.15Å; F143-I155 HydrophobicContact CE2-CB 4.39Å; F143-I155 HydrophobicContact CE2-CD1 3.76Å; F143-I155 HydrophobicContact CE2-CG1 3.72Å; F143-I155 HydrophobicContact CE2-CG2 3.88Å; F143-I155 HydrophobicContact CG-CD1 4.44Å; F143-I155 HydrophobicContact CG-CG2 4.36Å; F143-I155 HydrophobicContact CZ-CG1 4.42Å; F143-I155 HydrophobicContact CZ-CG2 3.89Å; L146-I155 HydrophobicContact CB-CB 4.38Å; L146-I155 HydrophobicContact CB-CG2 4.11Å; L146-I155 HydrophobicContact CD1-CD1 4.43Å; L147-I155 HydrophobicContact CB-CG2 4.26Å; L147-I155 HydrophobicContact CD1-CG2 4.26Å; I155-F160 HydrophobicContact CD1-CB 4.11Å; I155-F160 HydrophobicContact CD1-CG 4.4Å
156S90.8Very high86.2Confident4 Ų462 Ų623%0.02831%0.313CS..EExtended strand (participates in β ladder)trans-72.1126.8173.8177.80000110.3E115 M158 Q159 F160E115-S156 VanDerWaalsContact OE2-CB 3.29Å; E115-S156 WeakPolarHBondContact OE2-CB 3.23Å; E115-S156 PolarHBondContact OE2-OG 3.31Å; S156-M158 VanDerWaalsContact C-N 3.28Å; S156-M158 PolarHBondContact O-N 2.87Å; S156-Q159 PolarHBondContact O-N 3.1Å; S156-F160 PolarHBondContact O-N 2.72Å
157I91.3Very high86.3Confident3 Ų364.5 Ų64.52%0.01532%0.322CS..Hα-helixtrans-60.7-42.4178.1-75.4167.1000110W100 L103 Q107 A116 I118 Q159 F160 F161W100-I157 HydrophobicContact CZ3-CG2 4.27Å; L103-I157 HydrophobicContact CB-CG1 4.4Å; L103-I157 HydrophobicContact CB-CG2 3.63Å; L103-I157 HydrophobicContact CD1-CG2 4.23Å; L103-I157 HydrophobicContact CG-CG2 4.45Å; L103-I157 WeakPolarHBondContact O-CD1 3.45Å; Q107-I157 HydrophobicContact CB-CD1 3.91Å; A116-I157 HydrophobicContact CB-CB 4.37Å; A116-I157 HydrophobicContact CB-CD1 3.82Å; A116-I157 WeakPolarHBondContact O-CB 3.4Å; A116-I157 PolarHBondContact O-N 2.65Å; I118-I157 HydrophobicContact CB-CD1 4.21Å; I118-I157 HydrophobicContact CB-CG1 3.91Å; I118-I157 HydrophobicContact CG2-CG1 3.91Å; I157-Q159 PolarHBondContact O-N 2.81Å; I157-F160 PolarHBondContact O-N 3.35Å; I157-F161 WeakPolarHBondContact O-CB 3.31Å; I157-F161 PolarHBondContact O-N 3.16Å
158M89.8Confident86.5Confident94 Ų9461.4 Ų61.446%0.46331%0.306SS..Hα-helixtrans-60.4-46.2178.3-176.262.586.800111.2W100 S156 F160 F161 N162W100-M158 HydrophobicContact CH2-CE 3.67Å; W100-M158 HydrophobicContact CH2-SD 3.95Å; W100-M158 HydrophobicContact CZ3-CE 4.29Å; W100-M158 HydrophobicContact CZ3-SD 3.95Å; S156-M158 VanDerWaalsContact C-N 3.28Å; S156-M158 PolarHBondContact O-N 2.87Å; M158-F160 PolarHBondContact O-N 3.37Å; M158-F161 PolarHBondContact O-N 2.87Å; M158-N162 WeakPolarHBondContact O-CB 3.37Å; M158-N162 VanDerWaalsContact O-CG 3.24Å; M158-N162 PolarHBondContact O-N 3.38Å; M158-N162 PolarHBondContact O-ND2 3.18Å
159Q90.3Very high87.1Confident80 Ų8059.5 Ų59.537%0.37429%0.294SS..Hα-helixtrans-63.6-40.9178.5-66.3179.40.900112.3S156 I157 Y163S156-Q159 PolarHBondContact O-N 3.1Å; I157-Q159 PolarHBondContact O-N 2.81Å; Q159-Y163 WeakPolarHBondContact O-CB 3.47Å; Q159-Y163 PolarHBondContact O-N 3.02Å
160F92.6Very high88.3Confident0 Ų054.9 Ų54.90%026%0.263CS..Hα-helixtrans-66.1-43.8175.2175.6-109.4000112.2L103 F123 F137 F138 V142 L146 I155 S156 I157 M158 Y163 V164L103-F160 HydrophobicContact CD1-CD1 3.79Å; L103-F160 HydrophobicContact CD1-CE1 4.1Å; L103-F160 HydrophobicContact CD2-CD1 3.87Å; L103-F160 HydrophobicContact CD2-CE1 4.01Å; F123-F160 HydrophobicContact CE2-CD1 4.36Å; F123-F160 AromaticContact CE2-CD2 3.89Å; F123-F160 HydrophobicContact CE2-CD2 3.89Å; F123-F160 HydrophobicContact CE2-CE1 4.06Å; F123-F160 AromaticContact CE2-CE2 3.54Å; F123-F160 HydrophobicContact CE2-CE2 3.54Å; F123-F160 HydrophobicContact CE2-CG 4.28Å; F123-F160 AromaticContact CE2-CZ 3.62Å; F123-F160 HydrophobicContact CE2-CZ 3.62Å; F123-F160 AromaticContact CZ-CE2 3.95Å; F123-F160 HydrophobicContact CZ-CE2 3.95Å; F123-F160 HydrophobicContact CZ-CZ 4.16Å; F137-F160 HydrophobicContact CB-CE2 4.38Å; F137-F160 HydrophobicContact CB-CZ 4.19Å; F138-F160 HydrophobicContact CD1-CZ 4.19Å; F138-F160 HydrophobicContact CD2-CZ 4.39Å; F138-F160 AromaticContact CE1-CE1 3.8Å; F138-F160 HydrophobicContact CE1-CE1 3.8Å; F138-F160 AromaticContact CE1-CZ 3.86Å; F138-F160 HydrophobicContact CE1-CZ 3.86Å; F138-F160 HydrophobicContact CE2-CE1 4.21Å; F138-F160 HydrophobicContact CE2-CZ 4.06Å; F138-F160 HydrophobicContact CG-CZ 4.44Å; F138-F160 AromaticContact CZ-CE1 3.59Å; F138-F160 HydrophobicContact CZ-CE1 3.59Å; F138-F160 AromaticContact CZ-CZ 3.78Å; F138-F160 HydrophobicContact CZ-CZ 3.78Å; V142-F160 HydrophobicContact CG1-CD2 4.15Å; V142-F160 HydrophobicContact CG1-CE2 3.95Å; L146-F160 HydrophobicContact CD1-CB 3.97Å; L146-F160 HydrophobicContact CD1-CD2 3.69Å; L146-F160 HydrophobicContact CD1-CG 4.33Å; I155-F160 HydrophobicContact CD1-CB 4.11Å; I155-F160 HydrophobicContact CD1-CG 4.4Å; S156-F160 PolarHBondContact O-N 2.72Å; I157-F160 PolarHBondContact O-N 3.35Å; M158-F160 PolarHBondContact O-N 3.37Å; F160-Y163 WeakPolarHBondContact O-CB 3.26Å; F160-Y163 PolarHBondContact O-N 3.29Å; F160-V164 HydrophobicContact CD2-CG2 4.48Å; F160-V164 HydrophobicContact CE1-CG2 4.07Å; F160-V164 HydrophobicContact CE2-CG2 3.98Å; F160-V164 HydrophobicContact CZ-CG2 3.76Å; F160-V164 WeakPolarHBondContact O-CG2 3.36Å; F160-V164 PolarHBondContact O-N 2.9Å
161F92.5Very high89.1Confident30 Ų3057 Ų5713%0.13227%0.272CS..Hα-helixtrans-61.3-46.5177.3-174.4-103.9000111.3L96 L99 W100 L103 I157 M158 Y163 V164 M165L96-F161 WeakPolarHBondContact O-CE2 3.25Å; L99-F161 HydrophobicContact CD2-CD2 4.43Å; W100-F161 HydrophobicContact CB-CD2 4.29Å; W100-F161 HydrophobicContact CB-CE2 3.87Å; W100-F161 HydrophobicContact CB-CZ 4.22Å; W100-F161 HydrophobicContact CE3-CB 3.92Å; W100-F161 AromaticContact CE3-CD1 3.68Å; W100-F161 HydrophobicContact CE3-CD1 3.68Å; W100-F161 AromaticContact CE3-CD2 3.88Å; W100-F161 HydrophobicContact CE3-CD2 3.88Å; W100-F161 HydrophobicContact CE3-CE1 4.13Å; W100-F161 HydrophobicContact CE3-CE2 4.32Å; W100-F161 AromaticContact CE3-CG 3.53Å; W100-F161 HydrophobicContact CE3-CG 3.53Å; W100-F161 HydrophobicContact CE3-CZ 4.43Å; W100-F161 HydrophobicContact CZ3-CB 3.96Å; W100-F161 AromaticContact CZ3-CD1 3.98Å; W100-F161 HydrophobicContact CZ3-CD1 3.98Å; W100-F161 AromaticContact CZ3-CG 3.97Å; W100-F161 HydrophobicContact CZ3-CG 3.97Å; L103-F161 HydrophobicContact CD1-CB 4.44Å; L103-F161 HydrophobicContact CD1-CD2 4.35Å; I157-F161 WeakPolarHBondContact O-CB 3.31Å; I157-F161 PolarHBondContact O-N 3.16Å; M158-F161 PolarHBondContact O-N 2.87Å; F161-Y163 VanDerWaalsContact C-N 3.28Å; F161-Y163 PolarHBondContact O-N 2.86Å; F161-V164 PolarHBondContact O-N 3.22Å; F161-V164 VanDerWaalsContact O-N 3.1Å; F161-M165 HydrophobicContact CD1-CG 3.95Å; F161-M165 HydrophobicContact CE1-CG 3.61Å; F161-M165 HydrophobicContact CE1-SD 4.14Å; F161-M165 HydrophobicContact CZ-CG 3.94Å; F161-M165 HydrophobicContact CZ-SD 4Å; F161-M165 WeakPolarHBondContact O-CG 3.23Å; F161-M165 PolarHBondContact O-N 3.36Å
162N91.1Very high89.9Confident65 Ų6557.2 Ų57.235%0.34826%0.261SS..Hα-helixtrans-60.2-36.9174.5-72.5-18.1000112.3M158 R166M158-N162 WeakPolarHBondContact O-CB 3.37Å; M158-N162 VanDerWaalsContact O-CG 3.24Å; M158-N162 PolarHBondContact O-N 3.38Å; M158-N162 PolarHBondContact O-ND2 3.18Å; N162-R166 WeakPolarHBondContact O-CB 3.28Å; N162-R166 VanDerWaalsContact O-CG 3.22Å; N162-R166 WeakPolarHBondContact O-CG 3.5Å; N162-R166 PolarHBondContact O-N 3.36Å
163Y92.7Very high90.5Very high67 Ų6750.6 Ų50.626%0.26324%0.236SC..Hα-helixtrans-61.3-46.2172.8171.3-92.7000112.2F137 V142 Q159 F160 F161 K167F137-Y163 HydrophobicContact CD1-CE1 4.33Å; V142-Y163 HydrophobicContact CG1-CD1 3.95Å; V142-Y163 HydrophobicContact CG1-CE1 3.67Å; V142-Y163 HydrophobicContact CG2-CE1 3.98Å; Q159-Y163 WeakPolarHBondContact O-CB 3.47Å; Q159-Y163 PolarHBondContact O-N 3.02Å; F160-Y163 WeakPolarHBondContact O-CB 3.26Å; F160-Y163 PolarHBondContact O-N 3.29Å; F161-Y163 VanDerWaalsContact C-N 3.28Å; F161-Y163 PolarHBondContact O-N 2.86Å; Y163-K167 HydrophobicContact CE1-CG 4.1Å; Y163-K167 HydrophobicContact CE2-CG 4.17Å; Y163-K167 WeakPolarHBondContact O-CB 3.19Å; Y163-K167 WeakPolarHBondContact O-CG 3.4Å; Y163-K167 PolarHBondContact O-N 3.41Å
164V93.1Very high91Very high0 Ų054.5 Ų54.50%024%0.241CC..Hα-helixtrans-63.7-48.1177.6176.60000110.5L91 L96 L99 F137 F160 F161 R166 K167 V168L91-V164 HydrophobicContact CD1-CG1 3.69Å; L96-V164 HydrophobicContact CD2-CG1 4.24Å; L99-V164 HydrophobicContact CD2-CB 4.35Å; L99-V164 HydrophobicContact CD2-CG1 3.89Å; L99-V164 HydrophobicContact CD2-CG2 4.36Å; F137-V164 HydrophobicContact CB-CG2 3.85Å; F137-V164 HydrophobicContact CD1-CG1 4.48Å; F137-V164 HydrophobicContact CD1-CG2 4.22Å; F137-V164 HydrophobicContact CD2-CG1 3.87Å; F137-V164 HydrophobicContact CD2-CG2 4.27Å; F137-V164 HydrophobicContact CE1-CG1 4.5Å; F137-V164 HydrophobicContact CE2-CG1 3.91Å; F137-V164 HydrophobicContact CG-CG1 4.18Å; F137-V164 HydrophobicContact CG-CG2 3.86Å; F137-V164 HydrophobicContact CZ-CG1 4.23Å; F160-V164 HydrophobicContact CD2-CG2 4.48Å; F160-V164 HydrophobicContact CE1-CG2 4.07Å; F160-V164 HydrophobicContact CE2-CG2 3.98Å; F160-V164 HydrophobicContact CZ-CG2 3.76Å; F160-V164 WeakPolarHBondContact O-CG2 3.36Å; F160-V164 PolarHBondContact O-N 2.9Å; F161-V164 PolarHBondContact O-N 3.22Å; F161-V164 VanDerWaalsContact O-N 3.1Å; V164-R166 PolarHBondContact O-N 2.9Å; V164-K167 PolarHBondContact O-N 2.75Å; V164-K167 VanDerWaalsContact O-N 3.14Å; V164-V168 HydrophobicContact CG1-CG2 4.22Å; V164-V168 WeakPolarHBondContact O-CG2 3.21Å; V164-V168 PolarHBondContact O-N 3.16Å
165M90.6Very high91.2Very high74 Ų7455.4 Ų55.437%0.36525%0.247SC..Hα-helixtrans-53.9-53.5176.6-75.8-66.5-69.500111.7L96 F161 K167 V168 W169L96-M165 HydrophobicContact CB-SD 4.39Å; L96-M165 HydrophobicContact CD1-CE 4.46Å; L96-M165 HydrophobicContact CD1-SD 3.55Å; L96-M165 VanDerWaalsContact CD1-SD 3.55Å; L96-M165 HydrophobicContact CD2-SD 3.7Å; L96-M165 HydrophobicContact CG-SD 4.06Å; F161-M165 HydrophobicContact CD1-CG 3.95Å; F161-M165 HydrophobicContact CE1-CG 3.61Å; F161-M165 HydrophobicContact CE1-SD 4.14Å; F161-M165 HydrophobicContact CZ-CG 3.94Å; F161-M165 HydrophobicContact CZ-SD 4Å; F161-M165 WeakPolarHBondContact O-CG 3.23Å; F161-M165 PolarHBondContact O-N 3.36Å; M165-K167 VanDerWaalsContact C-N 3.27Å; M165-K167 PolarHBondContact O-N 3.49Å; M165-V168 PolarHBondContact O-N 2.87Å; M165-W169 VanDerWaalsContact O-CB 3.27Å; M165-W169 WeakPolarHBondContact O-CB 3.32Å; M165-W169 PolarHBondContact O-N 3.5Å
166R89.3Confident91.1Very high187 Ų18756.4 Ų56.471%0.70626%0.257SS*.Hα-helixtrans-59.1-38178.3-73.1173.8-177.7-179.80.8112.2N162 V164 L170N162-R166 WeakPolarHBondContact O-CB 3.28Å; N162-R166 VanDerWaalsContact O-CG 3.22Å; N162-R166 WeakPolarHBondContact O-CG 3.5Å; N162-R166 PolarHBondContact O-N 3.36Å; V164-R166 PolarHBondContact O-N 2.9Å; R166-L170 VanDerWaalsContact O-CB 3.32Å; R166-L170 WeakPolarHBondContact O-CB 3.46Å; R166-L170 PolarHBondContact O-N 2.62Å
167K90.8Very high91.2Very high77 Ų7756.2 Ų56.234%0.33526%0.255SS..Hα-helixtrans-68.6-46.6177.4-79.7-66.4-175.4-169.60112.8F137 Y163 V164 M165 W169 L170 H171F137-K167 HydrophobicContact CE1-CB 3.76Å; F137-K167 HydrophobicContact CE1-CG 4.39Å; Y163-K167 HydrophobicContact CE1-CG 4.1Å; Y163-K167 HydrophobicContact CE2-CG 4.17Å; Y163-K167 WeakPolarHBondContact O-CB 3.19Å; Y163-K167 WeakPolarHBondContact O-CG 3.4Å; Y163-K167 PolarHBondContact O-N 3.41Å; V164-K167 PolarHBondContact O-N 2.75Å; V164-K167 VanDerWaalsContact O-N 3.14Å; M165-K167 VanDerWaalsContact C-N 3.27Å; M165-K167 PolarHBondContact O-N 3.49Å; K167-W169 VanDerWaalsContact C-N 3.33Å; K167-L170 PolarHBondContact O-N 3.28Å; K167-H171 PolarHBondContact O-CD2 3.16Å; K167-H171 PolarHBondContact O-N 3.44Å; K167-H171 VanDerWaalsContact O-N 3.1Å
168V91.9Very high91.3Very high6 Ų656.9 Ų56.94%0.03626%0.26CS..Hα-helixtrans-60.4-48.3177.3172.20000109.6L90 L91 F137 V164 M165 L170 H171 Q172L90-V168 HydrophobicContact CB-CG1 4.44Å; L91-V168 HydrophobicContact CB-CG1 4.47Å; L91-V168 HydrophobicContact CB-CG2 4.04Å; L91-V168 HydrophobicContact CD1-CG2 3.88Å; L91-V168 HydrophobicContact CG-CG2 4.24Å; F137-V168 HydrophobicContact CE2-CG2 4.36Å; F137-V168 HydrophobicContact CZ-CG2 3.93Å; V164-V168 HydrophobicContact CG1-CG2 4.22Å; V164-V168 WeakPolarHBondContact O-CG2 3.21Å; V164-V168 PolarHBondContact O-N 3.16Å; M165-V168 PolarHBondContact O-N 2.87Å; V168-L170 PolarHBondContact O-N 3.14Å; V168-H171 PolarHBondContact O-N 3.45Å; V168-Q172 WeakPolarHBondContact O-CB 3.29Å; V168-Q172 PolarHBondContact O-N 3.29Å
169W88.8Confident91.3Very high82 Ų8257 Ų5731%0.31126%0.262SS..Hα-helixtrans-57.1-49.9177.1178.392.1000112.2M165 K167 H171 Q172 T173 L249 D250 L253M165-W169 VanDerWaalsContact O-CB 3.27Å; M165-W169 WeakPolarHBondContact O-CB 3.32Å; M165-W169 PolarHBondContact O-N 3.5Å; K167-W169 VanDerWaalsContact C-N 3.33Å; W169-H171 VanDerWaalsContact C-N 3.27Å; W169-H171 PolarHBondContact O-N 3.19Å; W169-Q172 WeakPolarHBondContact O-CB 3.35Å; W169-Q172 PolarHBondContact O-N 3.26Å; W169-T173 PolarHBondContact O-N 2.99Å; W169-T173 PolarHBondContact O-OG1 3.35Å; W169-T173 VanDerWaalsContact O-OG1 3.07Å; W169-L249 HydrophobicContact CH2-CD2 4.49Å; W169-D250 VanDerWaalsContact CH2-OD1 3.31Å; W169-D250 WeakPolarHBondContact CH2-OD1 3.19Å; W169-L253 HydrophobicContact CH2-CD1 4.21Å; W169-L253 HydrophobicContact CZ2-CD1 3.32Å
170L90Very high91.3Very high59 Ų5955.2 Ų55.231%0.30925%0.253SS..Hα-helixtrans-60-40.3179.7-172.4155.1000111.5R166 K167 V168 R174R166-L170 VanDerWaalsContact O-CB 3.32Å; R166-L170 WeakPolarHBondContact O-CB 3.46Å; R166-L170 PolarHBondContact O-N 2.62Å; K167-L170 PolarHBondContact O-N 3.28Å; V168-L170 PolarHBondContact O-N 3.14Å; L170-R174 WeakPolarHBondContact O-CB 3.43Å; L170-R174 PolarHBondContact O-N 2.9Å
171H91.4Very high91.1Very high69 Ų6955.5 Ų55.532%0.31925%0.254SS..Hα-helixtrans-68.1-40.2175.3-74.4-58.3000112.6L90 K167 V168 W169 R174 I175L90-H171 HydrophobicContact CD1-CB 4.16Å; L90-H171 HydrophobicContact CD2-CB 3.65Å; K167-H171 PolarHBondContact O-CD2 3.16Å; K167-H171 PolarHBondContact O-N 3.44Å; K167-H171 VanDerWaalsContact O-N 3.1Å; V168-H171 PolarHBondContact O-N 3.45Å; W169-H171 VanDerWaalsContact C-N 3.27Å; W169-H171 PolarHBondContact O-N 3.19Å; H171-R174 PolarHBondContact O-N 2.88Å; H171-I175 WeakPolarHBondContact O-CB 3.43Å; H171-I175 WeakPolarHBondContact O-CD1 3.4Å; H171-I175 WeakPolarHBondContact O-CG1 3.13Å; H171-I175 PolarHBondContact O-N 3.12Å
172Q91.2Very high90.3Very high114 Ų11457.8 Ų57.853%0.53327%0.27SS..Hα-helixtrans-63-49.5176.9-173.5176.7-1.200111.1L90 V168 W169 R174 I175 G176L90-Q172 HydrophobicContact CD1-CB 3.88Å; V168-Q172 WeakPolarHBondContact O-CB 3.29Å; V168-Q172 PolarHBondContact O-N 3.29Å; W169-Q172 WeakPolarHBondContact O-CB 3.35Å; W169-Q172 PolarHBondContact O-N 3.26Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; Q172-R174 PolarHBondContact O-N 3.39Å; Q172-I175 PolarHBondContact O-N 2.9Å; Q172-I175 VanDerWaalsContact O-N 3.17Å; Q172-G176 PolarHBondContact O-N 3.35Å
173T91Very high89.6Confident14 Ų1456.2 Ų56.29%0.08627%0.266CS..Hα-helixtrans-63.1-41.3177.8-52.20000111.3W169 I175 G176 L177 L244 L249W169-T173 PolarHBondContact O-N 2.99Å; W169-T173 PolarHBondContact O-OG1 3.35Å; W169-T173 VanDerWaalsContact O-OG1 3.07Å; T173-I175 VanDerWaalsContact C-N 3.33Å; T173-I175 PolarHBondContact O-N 3.2Å; T173-G176 PolarHBondContact O-N 3.4Å; T173-L177 HydrophobicContact CG2-CD1 4.26Å; T173-L177 WeakPolarHBondContact O-CG 3.25Å; T173-L177 PolarHBondContact O-N 2.97Å; T173-L244 HydrophobicContact CG2-CD2 3.78Å; T173-L249 HydrophobicContact CG2-CD2 3.89Å
174R92.9Very high89.1Confident113 Ų11354 Ų5443%0.42627%0.265SS..Hα-helixtrans-59.2-43.9173.5-176.3174.1173.1-171-1.8112.2L170 H171 Q172 S178 I240 L244L170-R174 WeakPolarHBondContact O-CB 3.43Å; L170-R174 PolarHBondContact O-N 2.9Å; H171-R174 PolarHBondContact O-N 2.88Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; Q172-R174 PolarHBondContact O-N 3.39Å; R174-S178 VanDerWaalsContact O-CB 3.28Å; R174-S178 WeakPolarHBondContact O-CB 3.45Å; R174-S178 PolarHBondContact O-N 2.89Å; R174-S178 PolarHBondContact O-OG 3.43Å; R174-I240 HydrophobicContact CG-CG2 4.31Å; R174-L244 HydrophobicContact CB-CD1 3.57Å; R174-L244 HydrophobicContact CB-CD2 4.44Å; R174-L244 HydrophobicContact CG-CD1 3.77Å
175I91.3Very high88.6Confident25 Ų2558.5 Ų58.513%0.12829%0.286CS..Hα-helixtrans-65-45.3177.7-71.4166.6000109.8L83 K86 L90 H171 Q172 T173 S178 L179L83-I175 HydrophobicContact CB-CG2 4.26Å; L83-I175 HydrophobicContact CD2-CG2 4.33Å; K86-I175 HydrophobicContact CB-CD1 3.85Å; K86-I175 HydrophobicContact CB-CG1 4.48Å; L90-I175 HydrophobicContact CD1-CD1 3.87Å; L90-I175 HydrophobicContact CG-CD1 4.44Å; H171-I175 WeakPolarHBondContact O-CB 3.43Å; H171-I175 WeakPolarHBondContact O-CD1 3.4Å; H171-I175 WeakPolarHBondContact O-CG1 3.13Å; H171-I175 PolarHBondContact O-N 3.12Å; Q172-I175 PolarHBondContact O-N 2.9Å; Q172-I175 VanDerWaalsContact O-N 3.17Å; T173-I175 VanDerWaalsContact C-N 3.33Å; T173-I175 PolarHBondContact O-N 3.2Å; I175-S178 WeakPolarHBondContact O-CB 3.38Å; I175-S178 PolarHBondContact O-N 3.27Å; I175-S178 VanDerWaalsContact O-N 3.13Å; I175-L179 PolarHBondContact O-N 3.03Å; I175-L179 VanDerWaalsContact O-N 3.17Å
176G90.6Very high88.6Confident21 Ų2156.6 Ų56.622%0.21629%0.285CS..Hα-helixtrans-54-55.217600000112.1Q172 T173 S178 L179 Y180Q172-G176 PolarHBondContact O-N 3.35Å; T173-G176 PolarHBondContact O-N 3.4Å; G176-S178 VanDerWaalsContact C-N 3.28Å; G176-S178 PolarHBondContact O-N 3.28Å; G176-L179 WeakPolarHBondContact O-CB 3.47Å; G176-L179 PolarHBondContact O-N 3.2Å; G176-L179 VanDerWaalsContact O-N 3.15Å; G176-Y180 VanDerWaalsContact O-CD2 3.29Å; G176-Y180 WeakPolarHBondContact O-CD2 3.35Å; G176-Y180 WeakPolarHBondContact O-CE2 3.43Å
177L92.6Very high88.8Confident0 Ų049.4 Ų49.40%026%0.258CS..Hα-helixtrans-60.3-37176.1-69.3170.7000112.4T173 L179 Y180 L188 L193 Y196 I240 I243 L244T173-L177 HydrophobicContact CG2-CD1 4.26Å; T173-L177 WeakPolarHBondContact O-CG 3.25Å; T173-L177 PolarHBondContact O-N 2.97Å; L177-L179 PolarHBondContact O-N 2.75Å; L177-Y180 PolarHBondContact O-N 3.44Å; L177-L188 HydrophobicContact CB-CD1 4.28Å; L177-L188 HydrophobicContact CD2-CD1 3.86Å; L177-L193 HydrophobicContact CD2-CD1 4.46Å; L177-Y196 HydrophobicContact CD2-CD1 3.73Å; L177-Y196 HydrophobicContact CD2-CD2 4.13Å; L177-Y196 HydrophobicContact CD2-CE1 3.66Å; L177-Y196 HydrophobicContact CD2-CE2 4.07Å; L177-Y196 HydrophobicContact CD2-CG 3.95Å; L177-I240 HydrophobicContact CB-CG1 4.46Å; L177-I240 HydrophobicContact CB-CG2 3.95Å; L177-I240 HydrophobicContact CD1-CG2 4.06Å; L177-I243 HydrophobicContact CD1-CB 4.32Å; L177-I243 HydrophobicContact CD1-CG2 3.79Å; L177-L244 HydrophobicContact CD1-CD2 4.17Å; L177-L244 HydrophobicContact CD1-CG 4.32Å
178S92.4Very high89Confident17 Ų1745.7 Ų45.712%0.11924%0.242CC..Hα-helixtrans-68.3-17.4-179.8-60.20000113.9R174 I175 G176 Y180 D181R174-S178 VanDerWaalsContact O-CB 3.28Å; R174-S178 WeakPolarHBondContact O-CB 3.45Å; R174-S178 PolarHBondContact O-N 2.89Å; R174-S178 PolarHBondContact O-OG 3.43Å; I175-S178 WeakPolarHBondContact O-CB 3.38Å; I175-S178 PolarHBondContact O-N 3.27Å; I175-S178 VanDerWaalsContact O-N 3.13Å; G176-S178 VanDerWaalsContact C-N 3.28Å; G176-S178 PolarHBondContact O-N 3.28Å; S178-Y180 VanDerWaalsContact C-N 3.27Å; S178-D181 PolarHBondContact O-N 3.42Å
179L90.2Very high89.1Confident97 Ų9751.5 Ų51.551%0.50826%0.263SS..Hα-helixtrans-67.8-29.8174.1-69.4166.5000111.7L83 I175 G176 L177L83-L179 HydrophobicContact CB-CD2 4.02Å; L83-L179 HydrophobicContact CD1-CD2 3.67Å; L83-L179 HydrophobicContact CD1-CG 4.13Å; I175-L179 PolarHBondContact O-N 3.03Å; I175-L179 VanDerWaalsContact O-N 3.17Å; G176-L179 WeakPolarHBondContact O-CB 3.47Å; G176-L179 PolarHBondContact O-N 3.2Å; G176-L179 VanDerWaalsContact O-N 3.15Å; L177-L179 PolarHBondContact O-N 2.75Å
180Y90.3Very high89.4Confident42 Ų4249.8 Ų49.817%0.16526%0.258CS..Hα-helixtrans-86.8-12.6178.3-55.3-93.3000112.7G176 L177 S178 V182 N195 Y196 E199G176-Y180 VanDerWaalsContact O-CD2 3.29Å; G176-Y180 WeakPolarHBondContact O-CD2 3.35Å; G176-Y180 WeakPolarHBondContact O-CE2 3.43Å; L177-Y180 PolarHBondContact O-N 3.44Å; S178-Y180 VanDerWaalsContact C-N 3.27Å; Y180-V182 VanDerWaalsContact C-N 3.35Å; Y180-V182 PolarHBondContact O-N 3.06Å; Y180-N195 HydrophobicContact CD1-CB 3.99Å; Y180-N195 HydrophobicContact CE1-CB 4.09Å; Y180-Y196 HydrophobicContact CD2-CD2 4.05Å; Y180-Y196 HydrophobicContact CD2-CG 4.45Å; Y180-Y196 AromaticContact CE2-CD2 3.49Å; Y180-Y196 HydrophobicContact CE2-CD2 3.49Å; Y180-Y196 VanDerWaalsContact CE2-CD2 3.49Å; Y180-Y196 HydrophobicContact CE2-CE2 4.45Å; Y180-Y196 HydrophobicContact CE2-CG 4.2Å; Y180-Y196 AromaticContact CZ-CD2 3.99Å; Y180-E199 PolarHBondContact OH-OE2 3.26Å
181D89.4Confident89.6Confident7 Ų749.7 Ų49.74%0.03726%0.263CS..  trans-81.580.6169.7175.120.3000110.4R79 S178 A183 G184 Q185 G186 L188 I240R79-D181 PolarHBondContact NE-O 3.26Å; R79-D181 PolarHBondContact NH2-O 2.93Å; R79-D181 IonicContact NH2-OD2 3.65Å; S178-D181 PolarHBondContact O-N 3.42Å; D181-A183 VanDerWaalsContact C-N 3.32Å; D181-A183 PolarHBondContact O-N 3.06Å; D181-G184 VanDerWaalsContact CG-CA 3.49Å; D181-G184 PolarHBondContact O-N 2.84Å; D181-G184 WeakPolarHBondContact OD1-CA 3.26Å; D181-G184 PolarHBondContact OD1-N 3.3Å; D181-G184 WeakPolarHBondContact OD2-CA 3.5Å; D181-Q185 PolarHBondContact OD1-N 3.1Å; D181-Q185 VanDerWaalsContact OD1-N 3.08Å; D181-Q185 PolarHBondContact OD2-N 3.26Å; D181-G186 WeakPolarHBondContact OD2-CA 3.42Å; D181-G186 PolarHBondContact OD2-N 3.44Å; D181-L188 HydrophobicContact CB-CD2 3.93Å; D181-I240 HydrophobicContact CB-CD1 4.1Å
182V75.3Confident89.7Confident77 Ų7747.7 Ų47.747%0.46726%0.255SS..SBendtrans-56.3-45.9178.9-179.70000110.9E76 Y180 G184E76-V182 HydrophobicContact CG-CG1 3.81Å; E76-V182 VanDerWaalsContact OE1-CG1 3.25Å; E76-V182 WeakPolarHBondContact OE1-CG1 3.46Å; Y180-V182 VanDerWaalsContact C-N 3.35Å; Y180-V182 PolarHBondContact O-N 3.06Å; V182-G184 VanDerWaalsContact C-N 3.29Å; V182-G184 PolarHBondContact O-N 3.48Å
183A76.6Confident89.9Confident32 Ų3242.4 Ų42.426%0.26423%0.23SC..SBendtrans-71-26-177.100000112.7L63 R75 D181 Q185L63-A183 HydrophobicContact CD1-CB 4.16Å; L63-A183 WeakPolarHBondContact CD2-O 3.25Å; R75-A183 PolarHBondContact NE-O 3.1Å; R75-A183 PolarHBondContact NH2-O 3.02Å; D181-A183 VanDerWaalsContact C-N 3.32Å; D181-A183 PolarHBondContact O-N 3.06Å; A183-Q185 HydrophobicContact CB-CG 3.9Å
184G80.8Confident90.1Very high22 Ų2245 Ų4523%0.22724%0.241CC..  trans74.632.2-17800000114.7D181 V182D181-G184 VanDerWaalsContact CG-CA 3.49Å; D181-G184 PolarHBondContact O-N 2.84Å; D181-G184 WeakPolarHBondContact OD1-CA 3.26Å; D181-G184 PolarHBondContact OD1-N 3.3Å; D181-G184 WeakPolarHBondContact OD2-CA 3.5Å; V182-G184 VanDerWaalsContact C-N 3.29Å; V182-G184 PolarHBondContact O-N 3.48Å
185Q84.2Confident90.3Very high94 Ų9443.4 Ų43.444%0.43924%0.241SC..SBendtrans-95.3-3.1-176.6-62.3-171.6-61.400112.9L63 D181 A183 Y187L63-Q185 VanDerWaalsContact CD1-CD 3.46Å; L63-Q185 HydrophobicContact CD1-CG 3.89Å; D181-Q185 PolarHBondContact OD1-N 3.1Å; D181-Q185 VanDerWaalsContact OD1-N 3.08Å; D181-Q185 PolarHBondContact OD2-N 3.26Å; A183-Q185 HydrophobicContact CB-CG 3.9Å; Q185-Y187 HydrophobicContact CB-CD1 3.56Å; Q185-Y187 HydrophobicContact CB-CE1 3.24Å; Q185-Y187 HydrophobicContact CG-CE1 4.07Å; Q185-Y187 VanDerWaalsContact OE1-CE1 3.23Å; Q185-Y187 PolarHBondContact OE1-OH 2.88Å
186G89.5Confident90.4Very high34 Ų3443.2 Ų43.235%0.35124%0.239SC..SBendtrans81.716.1177.300000114.1D181 K239 I240D181-G186 WeakPolarHBondContact OD2-CA 3.42Å; D181-G186 PolarHBondContact OD2-N 3.44Å; G186-K239 WeakPolarHBondContact O-CA 3.28Å; G186-I240 PolarHBondContact O-N 2.91Å
187Y93.3Very high90.7Very high35 Ų3542.3 Ų42.314%0.13723%0.229CC..EExtended strand (participates in β ladder)trans-133.1155175.667.3-101.6000110.4Q185 R189 K237 I238Q185-Y187 HydrophobicContact CB-CD1 3.56Å; Q185-Y187 HydrophobicContact CB-CE1 3.24Å; Q185-Y187 HydrophobicContact CG-CE1 4.07Å; Q185-Y187 VanDerWaalsContact OE1-CE1 3.23Å; Q185-Y187 PolarHBondContact OE1-OH 2.88Å; Y187-R189 HydrophobicContact CE2-CG 4.21Å; Y187-K237 HydrophobicContact CD2-CB 3.77Å; Y187-K237 HydrophobicContact CD2-CD 3.89Å; Y187-K237 HydrophobicContact CD2-CG 3.71Å; Y187-K237 HydrophobicContact CE1-CD 4.19Å; Y187-K237 HydrophobicContact CE2-CB 4.2Å; Y187-K237 HydrophobicContact CE2-CD 3.47Å; Y187-K237 VanDerWaalsContact CE2-CD 3.47Å; Y187-K237 HydrophobicContact CE2-CG 3.61Å; Y187-K237 HydrophobicContact CG-CB 4.21Å; Y187-K237 HydrophobicContact CG-CD 4.41Å; Y187-K237 HydrophobicContact CG-CG 4.48Å; Y187-K237 PolarHBondContact OH-NZ 3.24Å; Y187-K237 VanDerWaalsContact OH-NZ 3.13Å; Y187-I238 CarbonylContact C-O 3.6Å; Y187-I238 WeakPolarHBondContact CA-O 3.13Å; Y187-I238 VanDerWaalsContact CB-O 3.26Å; Y187-I238 WeakPolarHBondContact CB-O 3.3Å
188L94.9Very high90.8Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-111.3139.5175-61.8-179.2000109.5L177 D181 D192 L193 I238 I240 I243L177-L188 HydrophobicContact CB-CD1 4.28Å; L177-L188 HydrophobicContact CD2-CD1 3.86Å; D181-L188 HydrophobicContact CB-CD2 3.93Å; L188-D192 HydrophobicContact CB-CB 4.15Å; L188-D192 HydrophobicContact CD2-CB 3.95Å; L188-L193 HydrophobicContact CD1-CD1 4.21Å; L188-I238 PolarHBondContact N-O 3.15Å; L188-I238 PolarHBondContact O-N 2.73Å; L188-I240 HydrophobicContact CD1-CG1 4.34Å; L188-I240 HydrophobicContact CD2-CD1 4.36Å; L188-I240 HydrophobicContact CD2-CG1 4.4Å; L188-I240 HydrophobicContact CG-CD1 4.43Å; L188-I240 HydrophobicContact CG-CG1 3.93Å; L188-I243 HydrophobicContact CD1-CD1 3.92Å
189R94.4Very high90.8Very high127 Ų12751.3 Ų51.348%0.47927%0.271SS..  trans-87.2172.7166-59.2-178.6-175.4-174.81.9109.5Y187 S191 D192 L193Y187-R189 HydrophobicContact CE2-CG 4.21Å; R189-S191 PolarHBondContact O-N 3.25Å; R189-D192 WeakPolarHBondContact CB-OD2 3.45Å; R189-D192 PolarHBondContact N-OD2 3Å; R189-D192 WeakPolarHBondContact O-CB 3.45Å; R189-D192 PolarHBondContact O-N 3.15Å; R189-D192 VanDerWaalsContact O-N 3.1Å; R189-L193 PolarHBondContact O-N 3.24Å; R189-L193 VanDerWaalsContact O-N 3.11Å
190E94.1Very high90.9Very high46 Ų4647.2 Ų47.222%0.21525%0.25CC..Hα-helixtrans-57.3-50.9-178.5-164.9166.7-154.700111.9D192 L193 E194 V223 F227 K328E190-D192 PolarHBondContact O-N 2.99Å; E190-L193 PolarHBondContact O-N 3.49Å; E190-L193 VanDerWaalsContact O-N 3.11Å; E190-E194 HydrophobicContact CG-CG 4.48Å; E190-E194 VanDerWaalsContact O-CG 3.3Å; E190-E194 WeakPolarHBondContact O-CG 3.07Å; E190-E194 PolarHBondContact O-N 2.96Å; E190-V223 HydrophobicContact CG-CG1 3.77Å; E190-F227 VanDerWaalsContact CA-CZ 3.5Å; E190-F227 HydrophobicContact CB-CE1 4.5Å; E190-F227 HydrophobicContact CB-CE2 4Å; E190-F227 HydrophobicContact CB-CZ 3.96Å; E190-F227 HydrophobicContact CG-CD2 4.36Å; E190-F227 HydrophobicContact CG-CE2 4.16Å; E190-F227 VanDerWaalsContact N-CZ 3.28Å; E190-K328 WeakPolarHBondContact OE1-CE 3.29Å; E190-K328 IonicContact OE1-NZ 3.04Å; E190-K328 PolarHBondContact OE1-NZ 3.36Å; E190-K328 IonicContact OE2-NZ 2.74Å; E190-K328 PolarHBondContact OE2-NZ 2.95Å
191S94.6Very high91.1Very high57 Ų5745.3 Ų45.340%0.39924%0.242SC..Hα-helixtrans-55.5-36.1175.256.20000113.7R189 N195R189-S191 PolarHBondContact O-N 3.25Å; S191-N195 VanDerWaalsContact O-CG 3.24Å; S191-N195 PolarHBondContact O-N 3.03Å; S191-N195 VanDerWaalsContact O-N 3.1Å; S191-N195 PolarHBondContact O-ND2 3.13Å
192D94.9Very high91.2Very high28 Ų2849.3 Ų49.315%0.1527%0.269CS..Hα-helixtrans-70.6-40.4-177.7-51.4-28.4000110.1L188 R189 E190 Y196L188-D192 HydrophobicContact CB-CB 4.15Å; L188-D192 HydrophobicContact CD2-CB 3.95Å; R189-D192 WeakPolarHBondContact CB-OD2 3.45Å; R189-D192 PolarHBondContact N-OD2 3Å; R189-D192 WeakPolarHBondContact O-CB 3.45Å; R189-D192 PolarHBondContact O-N 3.15Å; R189-D192 VanDerWaalsContact O-N 3.1Å; E190-D192 PolarHBondContact O-N 2.99Å; D192-Y196 PolarHBondContact O-N 2.75Å
193L95.1Very high91.9Very high2 Ų249 Ų491%0.0127%0.267CS..Hα-helixtrans-75.3-35.2177.3-166.862.4000112.1L177 L188 R189 E190 N195 Y196 I197 V223 F226 F227 I243L177-L193 HydrophobicContact CD2-CD1 4.46Å; L188-L193 HydrophobicContact CD1-CD1 4.21Å; R189-L193 PolarHBondContact O-N 3.24Å; R189-L193 VanDerWaalsContact O-N 3.11Å; E190-L193 PolarHBondContact O-N 3.49Å; E190-L193 VanDerWaalsContact O-N 3.11Å; L193-N195 VanDerWaalsContact C-N 3.34Å; L193-N195 PolarHBondContact O-N 3.43Å; L193-Y196 HydrophobicContact CD1-CD1 3.9Å; L193-Y196 WeakPolarHBondContact O-CB 3.43Å; L193-Y196 PolarHBondContact O-N 3.18Å; L193-I197 HydrophobicContact CG-CD1 4.41Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 2.79Å; L193-V223 HydrophobicContact CB-CG1 4.48Å; L193-V223 HydrophobicContact CB-CG2 4.38Å; L193-V223 HydrophobicContact CD2-CG1 4.3Å; L193-V223 HydrophobicContact CG-CG2 4.17Å; L193-F226 HydrophobicContact CD2-CB 3.69Å; L193-F226 HydrophobicContact CD2-CD2 4.01Å; L193-F226 HydrophobicContact CD2-CG 3.89Å; L193-F227 HydrophobicContact CB-CE2 4.4Å; L193-F227 HydrophobicContact CD2-CD2 4.44Å; L193-F227 HydrophobicContact CD2-CE2 4.08Å; L193-I243 HydrophobicContact CD1-CD1 4.41Å
194E95.8Very high92.7Very high68 Ų6847.6 Ų47.632%0.31826%0.255SS..Hα-helixtrans-56.9-48172.1-73174.7170.200111.1E190 Y196 I197 L198 V219 V223E190-E194 HydrophobicContact CG-CG 4.48Å; E190-E194 VanDerWaalsContact O-CG 3.3Å; E190-E194 WeakPolarHBondContact O-CG 3.07Å; E190-E194 PolarHBondContact O-N 2.96Å; E194-Y196 VanDerWaalsContact C-N 3.34Å; E194-Y196 PolarHBondContact O-N 2.98Å; E194-I197 PolarHBondContact O-N 2.9Å; E194-L198 VanDerWaalsContact O-CB 3.28Å; E194-L198 WeakPolarHBondContact O-CB 3.18Å; E194-L198 PolarHBondContact O-N 3.15Å; E194-V219 HydrophobicContact CB-CG1 3.73Å; E194-V219 HydrophobicContact CG-CG1 3.83Å; E194-V223 HydrophobicContact CB-CG2 4.34Å; E194-V223 HydrophobicContact CG-CB 4.36Å; E194-V223 HydrophobicContact CG-CG1 4.25Å; E194-V223 HydrophobicContact CG-CG2 3.77Å
195N95.2Very high93.2Very high81 Ų8148.4 Ų48.443%0.43326%0.256SS..Hα-helixtrans-62.2-41.6176.6-71.4-38.7000112.1Y180 S191 L193 L198 E199Y180-N195 HydrophobicContact CD1-CB 3.99Å; Y180-N195 HydrophobicContact CE1-CB 4.09Å; S191-N195 VanDerWaalsContact O-CG 3.24Å; S191-N195 PolarHBondContact O-N 3.03Å; S191-N195 VanDerWaalsContact O-N 3.1Å; S191-N195 PolarHBondContact O-ND2 3.13Å; L193-N195 VanDerWaalsContact C-N 3.34Å; L193-N195 PolarHBondContact O-N 3.43Å; N195-L198 PolarHBondContact O-N 3.07Å; N195-E199 PolarHBondContact O-N 3.18Å
196Y95Very high93.5Very high21 Ų2145.8 Ų45.88%0.08224%0.244CC..Hα-helixtrans-60.8-48.7176.3171.7-107.9000112.3L177 Y180 D192 L193 E194 E199 L200L177-Y196 HydrophobicContact CD2-CD1 3.73Å; L177-Y196 HydrophobicContact CD2-CD2 4.13Å; L177-Y196 HydrophobicContact CD2-CE1 3.66Å; L177-Y196 HydrophobicContact CD2-CE2 4.07Å; L177-Y196 HydrophobicContact CD2-CG 3.95Å; Y180-Y196 HydrophobicContact CD2-CD2 4.05Å; Y180-Y196 HydrophobicContact CD2-CG 4.45Å; Y180-Y196 AromaticContact CE2-CD2 3.49Å; Y180-Y196 HydrophobicContact CE2-CD2 3.49Å; Y180-Y196 VanDerWaalsContact CE2-CD2 3.49Å; Y180-Y196 HydrophobicContact CE2-CE2 4.45Å; Y180-Y196 HydrophobicContact CE2-CG 4.2Å; Y180-Y196 AromaticContact CZ-CD2 3.99Å; D192-Y196 PolarHBondContact O-N 2.75Å; L193-Y196 HydrophobicContact CD1-CD1 3.9Å; L193-Y196 WeakPolarHBondContact O-CB 3.43Å; L193-Y196 PolarHBondContact O-N 3.18Å; E194-Y196 VanDerWaalsContact C-N 3.34Å; E194-Y196 PolarHBondContact O-N 2.98Å; Y196-E199 PolarHBondContact O-N 2.7Å; Y196-L200 HydrophobicContact CE1-CD2 4.34Å; Y196-L200 WeakPolarHBondContact O-CB 3.32Å; Y196-L200 PolarHBondContact O-N 2.61Å
197I95.3Very high93.6Very high2 Ų244.2 Ų44.21%0.0123%0.228CC..Hα-helixtrans-66.1-41.2179.6-63.6-172.8000110.3L193 E194 E199 L200 I201 Y218 V219 A222 V223 F226L193-I197 HydrophobicContact CG-CD1 4.41Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 2.79Å; E194-I197 PolarHBondContact O-N 2.9Å; I197-E199 VanDerWaalsContact C-N 3.33Å; I197-E199 PolarHBondContact O-N 3.32Å; I197-L200 WeakPolarHBondContact O-CB 3.35Å; I197-L200 PolarHBondContact O-N 3.37Å; I197-I201 WeakPolarHBondContact O-CG1 3.1Å; I197-I201 PolarHBondContact O-N 3.42Å; I197-Y218 HydrophobicContact CG2-CE1 4.18Å; I197-V219 HydrophobicContact CG2-CG2 4.24Å; I197-A222 HydrophobicContact CD1-CB 3.65Å; I197-A222 HydrophobicContact CG2-CB 4.1Å; I197-V223 HydrophobicContact CD1-CG2 3.58Å; I197-V223 HydrophobicContact CG1-CG2 4.32Å; I197-F226 HydrophobicContact CD1-CE2 4.33Å
198L94.9Very high93.3Very high79 Ų7947.9 Ų47.941%0.41425%0.25SC..Hα-helixtrans-59.1-42.3178.2-17567000112.4E194 N195 L200 I201 Y215 V219E194-L198 VanDerWaalsContact O-CB 3.28Å; E194-L198 WeakPolarHBondContact O-CB 3.18Å; E194-L198 PolarHBondContact O-N 3.15Å; N195-L198 PolarHBondContact O-N 3.07Å; L198-L200 VanDerWaalsContact C-N 3.3Å; L198-I201 HydrophobicContact CD1-CD1 4.35Å; L198-Y215 HydrophobicContact CD1-CD2 4.19Å; L198-V219 HydrophobicContact CB-CG2 4.17Å; L198-V219 HydrophobicContact CD1-CG2 4.11Å
199E92.8Very high92.8Very high127 Ų12751.7 Ų51.759%0.59329%0.289SS*.Hα-helixtrans-73.5-22.8175.4-72.4-175.2-17400113.1Y180 N195 Y196 I197 P202Y180-E199 PolarHBondContact OH-OE2 3.26Å; N195-E199 PolarHBondContact O-N 3.18Å; Y196-E199 PolarHBondContact O-N 2.7Å; I197-E199 VanDerWaalsContact C-N 3.33Å; I197-E199 PolarHBondContact O-N 3.32Å; E199-P202 WeakPolarHBondContact O-CD 3.35Å
200L93Very high92.7Very high10 Ų1046.2 Ų46.25%0.05227%0.269CS..Hα-helixtrans-76.1-34.8177.3-170.268.7000112.2Y196 I197 L198 P202 T203 L204 L252 L253 R256Y196-L200 HydrophobicContact CE1-CD2 4.34Å; Y196-L200 WeakPolarHBondContact O-CB 3.32Å; Y196-L200 PolarHBondContact O-N 2.61Å; I197-L200 WeakPolarHBondContact O-CB 3.35Å; I197-L200 PolarHBondContact O-N 3.37Å; L198-L200 VanDerWaalsContact C-N 3.3Å; L200-P202 VanDerWaalsContact C-CD 3.49Å; L200-T203 WeakPolarHBondContact CD1-OG1 3.49Å; L200-T203 WeakPolarHBondContact O-CA 3.46Å; L200-T203 WeakPolarHBondContact O-CB 3.47Å; L200-T203 PolarHBondContact O-N 3.25Å; L200-T203 PolarHBondContact O-OG1 3.17Å; L200-L204 HydrophobicContact CD2-CD1 4.14Å; L200-L204 HydrophobicContact CG-CD1 4.01Å; L200-L204 HydrophobicContact CG-CD2 4.24Å; L200-L204 HydrophobicContact CG-CG 4.14Å; L200-L252 HydrophobicContact CD2-CD1 4.45Å; L200-L252 HydrophobicContact CD2-CD2 3.77Å; L200-L252 HydrophobicContact CD2-CG 3.96Å; L200-L253 HydrophobicContact CD1-CD2 4.35Å; L200-L253 HydrophobicContact CD2-CD2 4.24Å; L200-R256 VanDerWaalsContact CD1-NH2 3.25Å
201I93.7Very high92.6Very high2 Ų250.8 Ų50.81%0.0129%0.291CS..G310 helixtrans-46.6-50.6-175.1-71.6164.2000113.4I197 L198 T203 L204 L207 Y215 Y218 V219I197-I201 WeakPolarHBondContact O-CG1 3.1Å; I197-I201 PolarHBondContact O-N 3.42Å; L198-I201 HydrophobicContact CD1-CD1 4.35Å; I201-T203 PolarHBondContact O-N 3.13Å; I201-L204 PolarHBondContact O-N 3.1Å; I201-L207 HydrophobicContact CG1-CD1 4.18Å; I201-L207 HydrophobicContact CG2-CB 4.39Å; I201-L207 HydrophobicContact CG2-CD1 4.48Å; I201-Y215 HydrophobicContact CD1-CG 4.41Å; I201-Y215 HydrophobicContact CG2-CE1 4.24Å; I201-Y215 HydrophobicContact CG2-CE2 4.25Å; I201-Y218 HydrophobicContact CD1-CD1 3.72Å; I201-Y218 HydrophobicContact CD1-CE1 4.13Å; I201-Y218 HydrophobicContact CG1-CD1 4.06Å; I201-Y218 HydrophobicContact CG1-CE1 3.95Å; I201-V219 HydrophobicContact CD1-CG2 3.85Å
202P91.8Very high92.4Very high92 Ų9256.3 Ų56.360%0.59731%0.307SS*.G310 helixtrans-67.2-8.4-178.1-18.933.2000114.6E199 L200E199-P202 WeakPolarHBondContact O-CD 3.35Å; L200-P202 VanDerWaalsContact C-CD 3.49Å
203T90.8Very high92.2Very high71 Ų7158.9 Ų58.944%0.43633%0.328SS..G310 helixtrans-98.9-0.3177.574.80000112.7L200 I201 P205L200-T203 WeakPolarHBondContact CD1-OG1 3.49Å; L200-T203 WeakPolarHBondContact O-CA 3.46Å; L200-T203 WeakPolarHBondContact O-CB 3.47Å; L200-T203 PolarHBondContact O-N 3.25Å; L200-T203 PolarHBondContact O-OG1 3.17Å; I201-T203 PolarHBondContact O-N 3.13Å; T203-P205 WeakPolarHBondContact O-CD 3.4Å
204L93.1Very high92.1Very high1 Ų159.5 Ų59.51%0.00533%0.33CS..  trans-109.499.7-177.5-58.3-179.1000108.9L200 I201 Q206 L207 L252 L255 R256L200-L204 HydrophobicContact CD2-CD1 4.14Å; L200-L204 HydrophobicContact CG-CD1 4.01Å; L200-L204 HydrophobicContact CG-CD2 4.24Å; L200-L204 HydrophobicContact CG-CG 4.14Å; I201-L204 PolarHBondContact O-N 3.1Å; L204-Q206 PolarHBondContact O-N 3.1Å; L204-Q206 VanDerWaalsContact O-N 3.14Å; L204-L207 HydrophobicContact CB-CB 4.27Å; L204-L207 HydrophobicContact CB-CD1 3.93Å; L204-L207 HydrophobicContact CB-CG 3.97Å; L204-L207 HydrophobicContact CD1-CD1 3.5Å; L204-L207 HydrophobicContact CD1-CG 4.33Å; L204-L207 HydrophobicContact CG-CD1 4.3Å; L204-L207 PolarHBondContact O-N 3.35Å; L204-L252 HydrophobicContact CD1-CD1 4.23Å; L204-L255 HydrophobicContact CB-CB 4.28Å; L204-L255 HydrophobicContact CD1-CB 4.29Å; L204-L255 HydrophobicContact CD1-CD1 4.24Å; L204-L255 HydrophobicContact CD2-CB 4.23Å; L204-L255 HydrophobicContact CG-CB 4.48Å; L204-R256 HydrophobicContact CD2-CG 3.36Å
205P91.6Very high92.1Very high39 Ų3958.6 Ų58.625%0.25332%0.324SS..G310 helixtrans-56.1-33.6-177.5-26.536.6000113.2T203 L207 D208 L255 E258T203-P205 WeakPolarHBondContact O-CD 3.4Å; P205-L207 PolarHBondContact O-N 3.48Å; P205-L207 VanDerWaalsContact O-N 3.09Å; P205-D208 WeakPolarHBondContact O-CB 3.23Å; P205-D208 PolarHBondContact O-N 3.1Å; P205-L255 WeakPolarHBondContact CD-O 3.45Å; P205-E258 HydrophobicContact CB-CG 3.82Å; P205-E258 HydrophobicContact CG-CG 3.86Å
206Q90.6Very high92Very high39 Ų3959.2 Ų59.218%0.18234%0.335CS..G310 helixtrans-65.8-11.2177.9-61.4-58.1-26.800113.9L204 L255 D257 E258 L260L204-Q206 PolarHBondContact O-N 3.1Å; L204-Q206 VanDerWaalsContact O-N 3.14Å; Q206-L255 HydrophobicContact CB-CB 4.18Å; Q206-L255 HydrophobicContact CB-CD2 4.18Å; Q206-L255 WeakPolarHBondContact CG-O 3.36Å; Q206-L255 PolarHBondContact N-O 3.46Å; Q206-D257 WeakPolarHBondContact CG-O 3.23Å; Q206-D257 PolarHBondContact NE2-O 3.31Å; Q206-E258 PolarHBondContact NE2-O 3.05Å; Q206-L260 HydrophobicContact CG-CB 4.36Å; Q206-L260 HydrophobicContact CG-CD2 4.35Å
207L91.3Very high92Very high1 Ų161.8 Ų61.81%0.00535%0.346CS..G310 helixtrans-108.3-1.2178.2-57.4-175.7000113.6I201 L204 P205 G209 L210 Y218 L255 A272I201-L207 HydrophobicContact CG1-CD1 4.18Å; I201-L207 HydrophobicContact CG2-CB 4.39Å; I201-L207 HydrophobicContact CG2-CD1 4.48Å; L204-L207 HydrophobicContact CB-CB 4.27Å; L204-L207 HydrophobicContact CB-CD1 3.93Å; L204-L207 HydrophobicContact CB-CG 3.97Å; L204-L207 HydrophobicContact CD1-CD1 3.5Å; L204-L207 HydrophobicContact CD1-CG 4.33Å; L204-L207 HydrophobicContact CG-CD1 4.3Å; L204-L207 PolarHBondContact O-N 3.35Å; P205-L207 PolarHBondContact O-N 3.48Å; P205-L207 VanDerWaalsContact O-N 3.09Å; L207-G209 PolarHBondContact O-N 3.42Å; L207-G209 VanDerWaalsContact O-N 3.1Å; L207-L210 HydrophobicContact CB-CD1 4.15Å; L207-L210 HydrophobicContact CD2-CD1 3.9Å; L207-L210 HydrophobicContact CG-CD1 4.47Å; L207-L210 WeakPolarHBondContact O-CB 3.48Å; L207-L210 PolarHBondContact O-N 2.85Å; L207-Y218 HydrophobicContact CD1-CE1 3.71Å; L207-Y218 HydrophobicContact CD1-CE2 4.24Å; L207-Y218 VanDerWaalsContact CD1-CZ 3.47Å; L207-Y218 VanDerWaalsContact CD1-OH 3.24Å; L207-Y218 WeakPolarHBondContact CD1-OH 3.35Å; L207-Y218 HydrophobicContact CD2-CE2 3.9Å; L207-L255 HydrophobicContact CD1-CD1 4.33Å; L207-L255 HydrophobicContact CD2-CD1 4.19Å; L207-L255 HydrophobicContact CG-CD1 4.3Å; L207-A272 HydrophobicContact CD2-CB 3.94Å
208D86.7Confident92Very high113 Ų11361.7 Ų61.760%0.60435%0.346SS*.THydrogen-bonded Turntrans-59.3-27.7-175.9-81.3-13000113.3P205 L210P205-D208 WeakPolarHBondContact O-CB 3.23Å; P205-D208 PolarHBondContact O-N 3.1Å; D208-L210 VanDerWaalsContact C-N 3.3Å; D208-L210 PolarHBondContact O-N 3.3Å
209G84.8Confident92.1Very high79 Ų7958.5 Ų58.581%0.81433%0.33SS*.THydrogen-bonded Turntrans-77.6-6.6177.700000115.2L207L207-G209 PolarHBondContact O-N 3.42Å; L207-G209 VanDerWaalsContact O-N 3.1Å
210L91.4Very high92.3Very high13 Ų1353.6 Ų53.67%0.06831%0.309CS..SBendtrans-74.1133.1-177.7-73.6-179.6000112.1L207 D208 F214 Y215 Y218 A272 L276L207-L210 HydrophobicContact CB-CD1 4.15Å; L207-L210 HydrophobicContact CD2-CD1 3.9Å; L207-L210 HydrophobicContact CG-CD1 4.47Å; L207-L210 WeakPolarHBondContact O-CB 3.48Å; L207-L210 PolarHBondContact O-N 2.85Å; D208-L210 VanDerWaalsContact C-N 3.3Å; D208-L210 PolarHBondContact O-N 3.3Å; L210-F214 HydrophobicContact CD1-CD1 4.46Å; L210-F214 HydrophobicContact CD2-CD1 3.84Å; L210-F214 HydrophobicContact CD2-CE1 4.2Å; L210-Y215 HydrophobicContact CB-CD1 4.46Å; L210-Y215 HydrophobicContact CB-CE1 3.94Å; L210-Y215 WeakPolarHBondContact O-CE1 3.35Å; L210-Y218 HydrophobicContact CD1-CD2 3.78Å; L210-Y218 HydrophobicContact CD1-CE2 4.21Å; L210-Y218 HydrophobicContact CD1-CG 4.05Å; L210-A272 HydrophobicContact CD1-CB 4.18Å; L210-A272 HydrophobicContact CD2-CB 3.71Å; L210-A272 HydrophobicContact CG-CB 3.89Å; L210-L276 HydrophobicContact CD2-CD1 4.17Å; L210-L276 HydrophobicContact CD2-CG 4.31Å
211E91.6Very high92.4Very high142 Ų14253.2 Ų53.266%0.66431%0.307SS*.  trans-66.7140.2173.2-62.8-170.7172.300111.4S213 F214 Y215E211-S213 WeakPolarHBondContact CB-OG 3.35Å; E211-S213 PolarHBondContact O-N 3.41Å; E211-S213 PolarHBondContact OE2-OG 3.33Å; E211-F214 WeakPolarHBondContact O-CB 3.48Å; E211-F214 PolarHBondContact O-N 2.9Å; E211-Y215 VanDerWaalsContact O-CD1 3.25Å; E211-Y215 WeakPolarHBondContact O-CD1 3.43Å
212K90.3Very high92.6Very high173 Ų17353.2 Ų53.275%0.75231%0.307SS*.G310 helixtrans-61.4-28.6179.3-65.3-175.2-179.5-178.40113.5F214 Y215K212-F214 PolarHBondContact O-N 3.39Å; K212-Y215 HydrophobicContact CG-CE2 4.14Å; K212-Y215 PolarHBondContact O-N 3.12Å
213S91.6Very high92.8Very high82 Ų8248.8 Ų48.857%0.57328%0.279SS*.G310 helixtrans-60.2-30.9172.445.80000112.1E211E211-S213 WeakPolarHBondContact CB-OG 3.35Å; E211-S213 PolarHBondContact O-N 3.41Å; E211-S213 PolarHBondContact OE2-OG 3.33Å
214F93.9Very high93.1Very high15 Ų1546.3 Ų46.37%0.06626%0.262CS..G310 helixtrans-86.1-12.1-178.2-172.2-111.8000113.6L210 E211 K212 S216 F217 Y218 A275 L276 Y279L210-F214 HydrophobicContact CD1-CD1 4.46Å; L210-F214 HydrophobicContact CD2-CD1 3.84Å; L210-F214 HydrophobicContact CD2-CE1 4.2Å; E211-F214 WeakPolarHBondContact O-CB 3.48Å; E211-F214 PolarHBondContact O-N 2.9Å; K212-F214 PolarHBondContact O-N 3.39Å; F214-S216 VanDerWaalsContact C-N 3.29Å; F214-S216 PolarHBondContact O-N 2.85Å; F214-F217 HydrophobicContact CD2-CB 3.8Å; F214-F217 HydrophobicContact CD2-CD2 4.19Å; F214-F217 HydrophobicContact CD2-CG 4.37Å; F214-F217 HydrophobicContact CE2-CB 3.58Å; F214-F217 HydrophobicContact CE2-CG 4.38Å; F214-F217 HydrophobicContact CZ-CB 4.24Å; F214-F217 PolarHBondContact O-N 2.91Å; F214-Y218 HydrophobicContact CE1-CD2 4.39Å; F214-Y218 PolarHBondContact O-N 2.82Å; F214-A275 HydrophobicContact CE1-CB 4.23Å; F214-A275 HydrophobicContact CZ-CB 4.38Å; F214-L276 HydrophobicContact CD1-CD2 4.06Å; F214-L276 HydrophobicContact CD2-CD2 4.39Å; F214-L276 HydrophobicContact CE1-CD2 3.79Å; F214-L276 HydrophobicContact CE1-CG 4.23Å; F214-L276 HydrophobicContact CE2-CD2 4.18Å; F214-L276 HydrophobicContact CG-CD2 4.34Å; F214-L276 HydrophobicContact CZ-CD2 3.86Å; F214-L276 HydrophobicContact CZ-CG 4.46Å; F214-Y279 HydrophobicContact CD2-CD1 4.05Å; F214-Y279 HydrophobicContact CD2-CE1 4.21Å; F214-Y279 AromaticContact CE2-CD1 3.44Å; F214-Y279 HydrophobicContact CE2-CD1 3.44Å; F214-Y279 VanDerWaalsContact CE2-CD1 3.44Å; F214-Y279 HydrophobicContact CE2-CD2 4.25Å; F214-Y279 HydrophobicContact CE2-CE1 4.01Å; F214-Y279 AromaticContact CE2-CG 3.56Å; F214-Y279 HydrophobicContact CE2-CG 3.56Å; F214-Y279 HydrophobicContact CZ-CD1 4.42Å; F214-Y279 HydrophobicContact CZ-CG 4.31Å
215Y94.3Very high93.2Very high49 Ų4947 Ų4719%0.19227%0.265CS..Hα-helixtrans-57.1-40.6-174-75.911000112.8L198 I201 L210 E211 K212 F217 Y218 V219L198-Y215 HydrophobicContact CD1-CD2 4.19Å; I201-Y215 HydrophobicContact CD1-CG 4.41Å; I201-Y215 HydrophobicContact CG2-CE1 4.24Å; I201-Y215 HydrophobicContact CG2-CE2 4.25Å; L210-Y215 HydrophobicContact CB-CD1 4.46Å; L210-Y215 HydrophobicContact CB-CE1 3.94Å; L210-Y215 WeakPolarHBondContact O-CE1 3.35Å; E211-Y215 VanDerWaalsContact O-CD1 3.25Å; E211-Y215 WeakPolarHBondContact O-CD1 3.43Å; K212-Y215 HydrophobicContact CG-CE2 4.14Å; K212-Y215 PolarHBondContact O-N 3.12Å; Y215-F217 VanDerWaalsContact C-N 3.31Å; Y215-F217 PolarHBondContact O-N 3.18Å; Y215-Y218 PolarHBondContact O-N 2.81Å; Y215-V219 WeakPolarHBondContact O-CB 3.47Å; Y215-V219 VanDerWaalsContact O-CG2 3.23Å; Y215-V219 WeakPolarHBondContact O-CG2 3.42Å; Y215-V219 PolarHBondContact O-N 3.17Å
216S93.6Very high93.4Very high94 Ų9445.3 Ų45.366%0.65725%0.253SS*.Hα-helixtrans-61.2-40177.9-55.30000112.4F214 C220F214-S216 VanDerWaalsContact C-N 3.29Å; F214-S216 PolarHBondContact O-N 2.85Å; S216-C220 WeakPolarHBondContact O-CB 3.47Å; S216-C220 PolarHBondContact O-N 3.05Å; S216-C220 VanDerWaalsContact O-N 3.07Å
217F94.7Very high93.7Very high74 Ų7443.7 Ų43.733%0.32525%0.245SC..Hα-helixtrans-72.5-42.6178.1-64.4-75.8000111.4F214 Y215 C220 T221 Y279 Y327F214-F217 HydrophobicContact CD2-CB 3.8Å; F214-F217 HydrophobicContact CD2-CD2 4.19Å; F214-F217 HydrophobicContact CD2-CG 4.37Å; F214-F217 HydrophobicContact CE2-CB 3.58Å; F214-F217 HydrophobicContact CE2-CG 4.38Å; F214-F217 HydrophobicContact CZ-CB 4.24Å; F214-F217 PolarHBondContact O-N 2.91Å; Y215-F217 VanDerWaalsContact C-N 3.31Å; Y215-F217 PolarHBondContact O-N 3.18Å; F217-C220 WeakPolarHBondContact O-CB 3.31Å; F217-C220 PolarHBondContact O-N 3.14Å; F217-T221 WeakPolarHBondContact O-CB 3.5Å; F217-T221 PolarHBondContact O-N 3.01Å; F217-T221 PolarHBondContact O-OG1 3.3Å; F217-Y279 HydrophobicContact CB-CD2 4.35Å; F217-Y279 HydrophobicContact CB-CE2 4.36Å; F217-Y279 HydrophobicContact CD1-CD2 4.01Å; F217-Y279 AromaticContact CD1-CE2 3.42Å; F217-Y279 HydrophobicContact CD1-CE2 3.42Å; F217-Y279 VanDerWaalsContact CD1-CE2 3.42Å; F217-Y279 HydrophobicContact CD2-CE2 4.22Å; F217-Y279 AromaticContact CE1-CE2 3.62Å; F217-Y279 HydrophobicContact CE1-CE2 3.62Å; F217-Y279 HydrophobicContact CE2-CE2 4.38Å; F217-Y279 HydrophobicContact CG-CD2 4.21Å; F217-Y279 AromaticContact CG-CE2 3.74Å; F217-Y279 HydrophobicContact CG-CE2 3.74Å; F217-Y279 HydrophobicContact CZ-CE2 4.1Å; F217-Y279 WeakPolarHBondContact CZ-OH 3.25Å; F217-Y327 HydrophobicContact CB-CE1 4.32Å; F217-Y327 AromaticContact CD1-CD1 3.87Å; F217-Y327 HydrophobicContact CD1-CD1 3.87Å; F217-Y327 HydrophobicContact CD1-CE1 4.04Å
218Y96.7Very high93.9Very high1 Ų144.1 Ų44.10%0.00425%0.247CC..Hα-helixtrans-59-49.5175178.2-93.4000111.8I197 I201 L207 L210 F214 Y215 C220 T221 A222 F270 A275I197-Y218 HydrophobicContact CG2-CE1 4.18Å; I201-Y218 HydrophobicContact CD1-CD1 3.72Å; I201-Y218 HydrophobicContact CD1-CE1 4.13Å; I201-Y218 HydrophobicContact CG1-CD1 4.06Å; I201-Y218 HydrophobicContact CG1-CE1 3.95Å; L207-Y218 HydrophobicContact CD1-CE1 3.71Å; L207-Y218 HydrophobicContact CD1-CE2 4.24Å; L207-Y218 VanDerWaalsContact CD1-CZ 3.47Å; L207-Y218 VanDerWaalsContact CD1-OH 3.24Å; L207-Y218 WeakPolarHBondContact CD1-OH 3.35Å; L207-Y218 HydrophobicContact CD2-CE2 3.9Å; L210-Y218 HydrophobicContact CD1-CD2 3.78Å; L210-Y218 HydrophobicContact CD1-CE2 4.21Å; L210-Y218 HydrophobicContact CD1-CG 4.05Å; F214-Y218 HydrophobicContact CE1-CD2 4.39Å; F214-Y218 PolarHBondContact O-N 2.82Å; Y215-Y218 PolarHBondContact O-N 2.81Å; Y218-C220 VanDerWaalsContact C-N 3.32Å; Y218-C220 PolarHBondContact O-N 3.47Å; Y218-T221 WeakPolarHBondContact O-CB 3.43Å; Y218-T221 PolarHBondContact O-N 3.48Å; Y218-T221 VanDerWaalsContact O-N 3.17Å; Y218-A222 HydrophobicContact CE1-CB 4.4Å; Y218-A222 WeakPolarHBondContact O-CB 3.15Å; Y218-A222 PolarHBondContact O-N 3.25Å; Y218-F270 VanDerWaalsContact CE2-O 3.26Å; Y218-F270 WeakPolarHBondContact CE2-O 3.14Å; Y218-F270 PolarHBondContact OH-O 2.88Å; Y218-A275 HydrophobicContact CD2-CB 3.67Å; Y218-A275 HydrophobicContact CE2-CB 4.02Å
219V96.9Very high94.3Very high11 Ų1139.9 Ų39.97%0.06722%0.224CC..Hα-helixtrans-59.6-45.2178.4170.80000110E194 I197 L198 I201 Y215 T221 A222 V223E194-V219 HydrophobicContact CB-CG1 3.73Å; E194-V219 HydrophobicContact CG-CG1 3.83Å; I197-V219 HydrophobicContact CG2-CG2 4.24Å; L198-V219 HydrophobicContact CB-CG2 4.17Å; L198-V219 HydrophobicContact CD1-CG2 4.11Å; I201-V219 HydrophobicContact CD1-CG2 3.85Å; Y215-V219 WeakPolarHBondContact O-CB 3.47Å; Y215-V219 VanDerWaalsContact O-CG2 3.23Å; Y215-V219 WeakPolarHBondContact O-CG2 3.42Å; Y215-V219 PolarHBondContact O-N 3.17Å; V219-T221 PolarHBondContact O-N 2.97Å; V219-A222 PolarHBondContact O-N 3.07Å; V219-V223 HydrophobicContact CG1-CG2 4.1Å; V219-V223 WeakPolarHBondContact O-CB 3.42Å; V219-V223 VanDerWaalsContact O-CG2 3.27Å; V219-V223 WeakPolarHBondContact O-CG2 3.38Å; V219-V223 PolarHBondContact O-N 2.71Å
220C96Very high94.8Very high24 Ų2437.9 Ų37.916%0.16219%0.194CC..Hα-helixtrans-57.3-48.9174.4-174.50000111.7S216 F217 Y218 A222 R224S216-C220 WeakPolarHBondContact O-CB 3.47Å; S216-C220 PolarHBondContact O-N 3.05Å; S216-C220 VanDerWaalsContact O-N 3.07Å; F217-C220 WeakPolarHBondContact O-CB 3.31Å; F217-C220 PolarHBondContact O-N 3.14Å; Y218-C220 VanDerWaalsContact C-N 3.32Å; Y218-C220 PolarHBondContact O-N 3.47Å; C220-A222 PolarHBondContact O-N 3.17Å; C220-R224 WeakPolarHBondContact O-CB 3.36Å; C220-R224 PolarHBondContact O-N 2.83Å
221T96.2Very high94.9Very high2 Ų237.8 Ų37.81%0.01219%0.194CC..Hα-helixtrans-58.7-43.6177.8-62.90000112.9F217 Y218 V219 W269 A275 Y327 L331F217-T221 WeakPolarHBondContact O-CB 3.5Å; F217-T221 PolarHBondContact O-N 3.01Å; F217-T221 PolarHBondContact O-OG1 3.3Å; Y218-T221 WeakPolarHBondContact O-CB 3.43Å; Y218-T221 PolarHBondContact O-N 3.48Å; Y218-T221 VanDerWaalsContact O-N 3.17Å; V219-T221 PolarHBondContact O-N 2.97Å; T221-W269 HydrophobicContact CG2-CZ2 3.79Å; T221-W269 PolarHBondContact O-NE1 3.44Å; T221-A275 HydrophobicContact CG2-CB 4.4Å; T221-Y327 PolarHBondContact OG1-OH 3.15Å; T221-L331 HydrophobicContact CG2-CD2 4.15Å
222A96.9Very high94.6Very high2 Ų233.7 Ų33.72%0.01718%0.179CC..Hα-helixtrans-70.7-50.1-179.700000111.6I197 Y218 V219 C220 R224 K225 F226 F270I197-A222 HydrophobicContact CD1-CB 3.65Å; I197-A222 HydrophobicContact CG2-CB 4.1Å; Y218-A222 HydrophobicContact CE1-CB 4.4Å; Y218-A222 WeakPolarHBondContact O-CB 3.15Å; Y218-A222 PolarHBondContact O-N 3.25Å; V219-A222 PolarHBondContact O-N 3.07Å; C220-A222 PolarHBondContact O-N 3.17Å; A222-R224 VanDerWaalsContact C-N 3.27Å; A222-R224 PolarHBondContact O-N 2.95Å; A222-K225 WeakPolarHBondContact O-CB 3.45Å; A222-K225 PolarHBondContact O-N 3.44Å; A222-F226 WeakPolarHBondContact O-CD2 3.33Å; A222-F270 HydrophobicContact CB-CD1 3.86Å; A222-F270 HydrophobicContact CB-CE1 4.07Å
223V96.8Very high94.4Very high0 Ų032 Ų320%018%0.178CC..Hα-helixtrans-60.7-39179.2170.90000111.2E190 L193 E194 I197 V219 K225 F226 F227E190-V223 HydrophobicContact CG-CG1 3.77Å; L193-V223 HydrophobicContact CB-CG1 4.48Å; L193-V223 HydrophobicContact CB-CG2 4.38Å; L193-V223 HydrophobicContact CD2-CG1 4.3Å; L193-V223 HydrophobicContact CG-CG2 4.17Å; E194-V223 HydrophobicContact CB-CG2 4.34Å; E194-V223 HydrophobicContact CG-CB 4.36Å; E194-V223 HydrophobicContact CG-CG1 4.25Å; E194-V223 HydrophobicContact CG-CG2 3.77Å; I197-V223 HydrophobicContact CD1-CG2 3.58Å; I197-V223 HydrophobicContact CG1-CG2 4.32Å; V219-V223 HydrophobicContact CG1-CG2 4.1Å; V219-V223 WeakPolarHBondContact O-CB 3.42Å; V219-V223 VanDerWaalsContact O-CG2 3.27Å; V219-V223 WeakPolarHBondContact O-CG2 3.38Å; V219-V223 PolarHBondContact O-N 2.71Å; V223-K225 VanDerWaalsContact C-N 3.27Å; V223-K225 PolarHBondContact O-N 2.9Å; V223-F226 PolarHBondContact O-N 3.16Å; V223-F226 VanDerWaalsContact O-N 3.1Å; V223-F227 HydrophobicContact CG1-CD2 3.6Å; V223-F227 HydrophobicContact CG1-CE2 3.85Å; V223-F227 PolarHBondContact O-N 3.08Å; V223-F227 VanDerWaalsContact O-N 3.1Å
224R95.4Very high94.2Very high19 Ų1934.5 Ų34.57%0.07218%0.175CC..Hα-helixtrans-61.9-35.1-178.5-16270-148.9137.97112.6C220 A222 F226 F227 F228 L331 D332 L335C220-R224 WeakPolarHBondContact O-CB 3.36Å; C220-R224 PolarHBondContact O-N 2.83Å; A222-R224 VanDerWaalsContact C-N 3.27Å; A222-R224 PolarHBondContact O-N 2.95Å; R224-F226 VanDerWaalsContact C-N 3.34Å; R224-F226 PolarHBondContact O-N 3.38Å; R224-F227 PolarHBondContact O-N 3.31Å; R224-F228 VanDerWaalsContact O-CB 3.23Å; R224-F228 WeakPolarHBondContact O-CB 3.43Å; R224-F228 PolarHBondContact O-N 3.06Å; R224-L331 HydrophobicContact CB-CB 4.34Å; R224-L331 HydrophobicContact CB-CD1 4.13Å; R224-L331 HydrophobicContact CG-CB 3.89Å; R224-L331 HydrophobicContact CG-CD1 4.43Å; R224-D332 IonicContact CZ-OD1 2.9Å; R224-D332 IonicContact CZ-OD2 3.29Å; R224-D332 IonicContact NE-OD1 2.98Å; R224-D332 PolarHBondContact NE-OD1 3.02Å; R224-D332 IonicContact NE-OD2 3.07Å; R224-D332 IonicContact NH2-OD1 3.72Å; R224-D332 PolarHBondContact NH2-OD1 3.11Å; R224-D332 IonicContact NH2-OD2 2.75Å; R224-D332 PolarHBondContact NH2-OD2 2.94Å; R224-L335 HydrophobicContact CB-CD1 4.48Å; R224-L335 HydrophobicContact CG-CD1 4.15Å
225K96.1Very high94.1Very high16 Ų1637.7 Ų37.77%0.0720%0.195CC..Hα-helixtrans-55.8-48.5173.3-170.273.1-179.6-174.20111.3A222 V223 F229 F248 W269 F270 L335 N339A222-K225 WeakPolarHBondContact O-CB 3.45Å; A222-K225 PolarHBondContact O-N 3.44Å; V223-K225 VanDerWaalsContact C-N 3.27Å; V223-K225 PolarHBondContact O-N 2.9Å; K225-F229 HydrophobicContact CD-CD2 3.99Å; K225-F229 HydrophobicContact CD-CE2 3.7Å; K225-F229 VanDerWaalsContact CE-CE2 3.46Å; K225-F229 HydrophobicContact CG-CD2 4.4Å; K225-F229 VanDerWaalsContact O-CD2 3.29Å; K225-F229 WeakPolarHBondContact O-CD2 3.29Å; K225-F229 PolarHBondContact O-N 3.05Å; K225-F248 HydrophobicContact CG-CG 4.48Å; K225-W269 HydrophobicContact CD-CD2 4.33Å; K225-W269 HydrophobicContact CD-CG 4.04Å; K225-W269 HydrophobicContact CG-CG 4.47Å; K225-F270 HydrophobicContact CB-CE1 4.2Å; K225-F270 HydrophobicContact CB-CZ 4.1Å; K225-F270 HydrophobicContact CG-CE1 4.47Å; K225-F270 HydrophobicContact CG-CZ 3.9Å; K225-L335 HydrophobicContact CD-CD2 3.46Å; K225-L335 VanDerWaalsContact CD-CD2 3.46Å; K225-N339 PolarHBondContact NZ-OD1 3.12Å
226F96.8Very high94Very high2 Ų237 Ų371%0.00920%0.203CC..Hα-helixtrans-64-47.6179-69.1-86.5000112.1L193 I197 A222 V223 R224 F228 F229 L230 I238 I243 F248 L249 L252 F270L193-F226 HydrophobicContact CD2-CB 3.69Å; L193-F226 HydrophobicContact CD2-CD2 4.01Å; L193-F226 HydrophobicContact CD2-CG 3.89Å; I197-F226 HydrophobicContact CD1-CE2 4.33Å; A222-F226 WeakPolarHBondContact O-CD2 3.33Å; V223-F226 PolarHBondContact O-N 3.16Å; V223-F226 VanDerWaalsContact O-N 3.1Å; R224-F226 VanDerWaalsContact C-N 3.34Å; R224-F226 PolarHBondContact O-N 3.38Å; F226-F228 PolarHBondContact O-N 3.18Å; F226-F229 PolarHBondContact O-N 3.25Å; F226-L230 HydrophobicContact CD1-CD1 4.01Å; F226-L230 VanDerWaalsContact O-CB 3.23Å; F226-L230 WeakPolarHBondContact O-CB 3.36Å; F226-L230 WeakPolarHBondContact O-CG 3.47Å; F226-L230 PolarHBondContact O-N 2.88Å; F226-I238 HydrophobicContact CB-CD1 3.95Å; F226-I243 HydrophobicContact CD1-CG2 4.38Å; F226-I243 HydrophobicContact CE1-CG2 4.14Å; F226-F248 HydrophobicContact CE1-CB 4.02Å; F226-F248 HydrophobicContact CZ-CB 4.19Å; F226-L249 HydrophobicContact CE1-CB 4.42Å; F226-L252 HydrophobicContact CE2-CD2 4.32Å; F226-L252 HydrophobicContact CZ-CD2 4.28Å; F226-F270 HydrophobicContact CD2-CE1 4.32Å; F226-F270 HydrophobicContact CD2-CZ 4.41Å; F226-F270 AromaticContact CE2-CE1 3.61Å; F226-F270 HydrophobicContact CE2-CE1 3.61Å; F226-F270 AromaticContact CE2-CZ 3.66Å; F226-F270 HydrophobicContact CE2-CZ 3.66Å; F226-F270 HydrophobicContact CZ-CE1 4.3Å; F226-F270 AromaticContact CZ-CZ 3.96Å; F226-F270 HydrophobicContact CZ-CZ 3.96Å
227F96.1Very high94Very high5 Ų536.8 Ų36.82%0.02219%0.19CC..Hα-helixtrans-67.7-34.3-178.9-86.5-87.1000113.6E190 L193 V223 R224 D231 I238E190-F227 VanDerWaalsContact CA-CZ 3.5Å; E190-F227 HydrophobicContact CB-CE1 4.5Å; E190-F227 HydrophobicContact CB-CE2 4Å; E190-F227 HydrophobicContact CB-CZ 3.96Å; E190-F227 HydrophobicContact CG-CD2 4.36Å; E190-F227 HydrophobicContact CG-CE2 4.16Å; E190-F227 VanDerWaalsContact N-CZ 3.28Å; L193-F227 HydrophobicContact CB-CE2 4.4Å; L193-F227 HydrophobicContact CD2-CD2 4.44Å; L193-F227 HydrophobicContact CD2-CE2 4.08Å; V223-F227 HydrophobicContact CG1-CD2 3.6Å; V223-F227 HydrophobicContact CG1-CE2 3.85Å; V223-F227 PolarHBondContact O-N 3.08Å; V223-F227 VanDerWaalsContact O-N 3.1Å; R224-F227 PolarHBondContact O-N 3.31Å; F227-D231 HydrophobicContact CD1-CB 4.2Å; F227-D231 WeakPolarHBondContact O-CB 3.45Å; F227-D231 PolarHBondContact O-N 3Å; F227-I238 HydrophobicContact CB-CD1 4.33Å; F227-I238 HydrophobicContact CD1-CD1 3.83Å; F227-I238 HydrophobicContact CD1-CG1 3.96Å; F227-I238 HydrophobicContact CD2-CD1 3.59Å; F227-I238 HydrophobicContact CE1-CD1 3.86Å; F227-I238 HydrophobicContact CE1-CG1 3.75Å; F227-I238 HydrophobicContact CE2-CD1 3.6Å; F227-I238 HydrophobicContact CE2-CG1 4.32Å; F227-I238 HydrophobicContact CG-CD1 3.69Å; F227-I238 HydrophobicContact CG-CG1 4.33Å; F227-I238 HydrophobicContact CZ-CD1 3.73Å; F227-I238 HydrophobicContact CZ-CG1 3.92Å
228F95.8Very high94Very high10 Ų1033.3 Ų33.34%0.04418%0.175CC..Hα-helixtrans-64.2-45178.6-174.6-93.7000111.8R224 F226 D332 L335 A336 A344 A345 Y348R224-F228 VanDerWaalsContact O-CB 3.23Å; R224-F228 WeakPolarHBondContact O-CB 3.43Å; R224-F228 PolarHBondContact O-N 3.06Å; F226-F228 PolarHBondContact O-N 3.18Å; F228-D332 HydrophobicContact CD2-CB 4.39Å; F228-D332 VanDerWaalsContact CD2-OD1 3.31Å; F228-D332 WeakPolarHBondContact CD2-OD1 3.5Å; F228-D332 HydrophobicContact CE2-CB 4.44Å; F228-D332 WeakPolarHBondContact CE2-O 3.44Å; F228-L335 HydrophobicContact CB-CD1 3.82Å; F228-L335 HydrophobicContact CD1-CB 4Å; F228-L335 HydrophobicContact CD2-CB 4.31Å; F228-L335 HydrophobicContact CE1-CB 4.15Å; F228-L335 HydrophobicContact CE2-CB 4.44Å; F228-L335 HydrophobicContact CG-CB 4.07Å; F228-L335 HydrophobicContact CG-CD1 4.08Å; F228-L335 HydrophobicContact CZ-CB 4.37Å; F228-A336 HydrophobicContact CE2-CB 4.18Å; F228-A336 HydrophobicContact CZ-CB 3.66Å; F228-A344 HydrophobicContact CE1-CB 4.39Å; F228-A345 HydrophobicContact CE1-CB 4.17Å; F228-A345 HydrophobicContact CZ-CB 4.35Å; F228-Y348 HydrophobicContact CE2-CD2 4.26Å; F228-Y348 HydrophobicContact CE2-CG 4.29Å
229F95.7Very high93.9Very high24 Ų2439.1 Ų39.111%0.10520%0.2CC..Hα-helixtrans-91.2-33.3-175-70.6-71.5000114.4K225 F226 F248 L335 N339 E342 A344K225-F229 HydrophobicContact CD-CD2 3.99Å; K225-F229 HydrophobicContact CD-CE2 3.7Å; K225-F229 VanDerWaalsContact CE-CE2 3.46Å; K225-F229 HydrophobicContact CG-CD2 4.4Å; K225-F229 VanDerWaalsContact O-CD2 3.29Å; K225-F229 WeakPolarHBondContact O-CD2 3.29Å; K225-F229 PolarHBondContact O-N 3.05Å; F226-F229 PolarHBondContact O-N 3.25Å; F229-F248 HydrophobicContact CB-CE2 3.51Å; F229-F248 HydrophobicContact CB-CZ 3.88Å; F229-F248 HydrophobicContact CD1-CZ 4.45Å; F229-F248 AromaticContact CD2-CE2 3.98Å; F229-F248 HydrophobicContact CD2-CE2 3.98Å; F229-F248 AromaticContact CD2-CZ 3.86Å; F229-F248 HydrophobicContact CD2-CZ 3.86Å; F229-F248 AromaticContact CG-CE2 3.89Å; F229-F248 HydrophobicContact CG-CE2 3.89Å; F229-F248 AromaticContact CG-CZ 3.79Å; F229-F248 HydrophobicContact CG-CZ 3.79Å; F229-L335 HydrophobicContact CE2-CD2 4.33Å; F229-N339 HydrophobicContact CE1-CB 4.25Å; F229-N339 HydrophobicContact CZ-CB 3.79Å; F229-N339 WeakPolarHBondContact CZ-OD1 3.46Å; F229-E342 HydrophobicContact CD1-CB 4.27Å; F229-E342 HydrophobicContact CD1-CG 4.45Å; F229-E342 HydrophobicContact CE1-CB 3.67Å; F229-E342 HydrophobicContact CE1-CG 3.84Å; F229-A344 HydrophobicContact CD1-CB 3.89Å; F229-A344 HydrophobicContact CE1-CB 4.38Å
230L95.1Very high93.8Very high37 Ų3738.9 Ų38.919%0.19420%0.199CC..Hα-helixtrans-97.6-9.3-174.8-53.4-179.7000113.9F226 I238 I243 C246F226-L230 HydrophobicContact CD1-CD1 4.01Å; F226-L230 VanDerWaalsContact O-CB 3.23Å; F226-L230 WeakPolarHBondContact O-CB 3.36Å; F226-L230 WeakPolarHBondContact O-CG 3.47Å; F226-L230 PolarHBondContact O-N 2.88Å; L230-I238 HydrophobicContact CB-CD1 4.27Å; L230-I238 HydrophobicContact CB-CG1 4.28Å; L230-I238 HydrophobicContact CB-CG2 3.6Å; L230-I238 HydrophobicContact CD1-CG2 3.8Å; L230-I238 HydrophobicContact CG-CG2 4.37Å; L230-I243 HydrophobicContact CD1-CG1 4Å; L230-C246 HydrophobicContact CD1-CB 4.28Å; L230-C246 HydrophobicContact CD2-CB 4.04Å
231D93.6Very high93.7Very high11 Ų1143.8 Ų43.86%0.05922%0.219CC..  trans-126.563173.3-175.329.8000111.7F227 L233 R234 T235 G236 I238F227-D231 HydrophobicContact CD1-CB 4.2Å; F227-D231 WeakPolarHBondContact O-CB 3.45Å; F227-D231 PolarHBondContact O-N 3Å; D231-L233 PolarHBondContact O-N 3.45Å; D231-L233 VanDerWaalsContact O-N 3.07Å; D231-R234 PolarHBondContact O-N 3.32Å; D231-R234 PolarHBondContact OD1-N 3.06Å; D231-R234 VanDerWaalsContact OD2-C 3.3Å; D231-R234 WeakPolarHBondContact OD2-CA 3.39Å; D231-T235 WeakPolarHBondContact OD1-CB 3.19Å; D231-T235 PolarHBondContact OD1-N 3.3Å; D231-T235 PolarHBondContact OD1-OG1 2.8Å; D231-T235 PolarHBondContact OD2-N 3.47Å; D231-G236 WeakPolarHBondContact OD2-CA 3.1Å; D231-G236 PolarHBondContact OD2-N 3.45Å; D231-I238 HydrophobicContact CB-CG1 4.13Å
232P85.3Confident93.7Very high56 Ų5646.6 Ų46.636%0.36423%0.234SC..THydrogen-bonded Turntrans-61.5-21-177.424.4-34.7000113.6Q347P232-Q347 PolarHBondContact O-NE2 2.92Å
233L84.9Confident93.6Very high138 Ų13846.6 Ų46.672%0.72323%0.234SC*.THydrogen-bonded Turntrans-90.61.2176.9-62.7-180000113.2D231 T235D231-L233 PolarHBondContact O-N 3.45Å; D231-L233 VanDerWaalsContact O-N 3.07Å; L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 HydrophobicContact CB-CG2 3.92Å; L233-T235 PolarHBondContact O-N 3.12Å
234R88.1Confident93.4Very high135 Ų13548 Ų4851%0.50924%0.241SC..  trans52.642.4180-58.1-176.8176-107.7-7.8112.8D231 G236 D332D231-R234 PolarHBondContact O-N 3.32Å; D231-R234 PolarHBondContact OD1-N 3.06Å; D231-R234 VanDerWaalsContact OD2-C 3.3Å; D231-R234 WeakPolarHBondContact OD2-CA 3.39Å; R234-G236 PolarHBondContact O-N 3.48Å; R234-D332 IonicContact CZ-OD2 2.75Å; R234-D332 VanDerWaalsContact CZ-OD2 3.29Å; R234-D332 IonicContact NH1-OD2 3.3Å; R234-D332 PolarHBondContact NH1-OD2 3.48Å; R234-D332 IonicContact NH2-OD2 3.45Å; R234-D332 PolarHBondContact NH2-OD2 2.97Å
235T90.6Very high93.3Very high81 Ų8151.1 Ų51.150%0.49727%0.271SS..  trans-73.3-13.5177.666.50000113.7D231 L233 K237D231-T235 WeakPolarHBondContact OD1-CB 3.19Å; D231-T235 PolarHBondContact OD1-N 3.3Å; D231-T235 PolarHBondContact OD1-OG1 2.8Å; D231-T235 PolarHBondContact OD2-N 3.47Å; L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 HydrophobicContact CB-CG2 3.92Å; L233-T235 PolarHBondContact O-N 3.12Å; T235-K237 VanDerWaalsContact C-N 3.28Å; T235-K237 PolarHBondContact OG1-N 3.47Å; T235-K237 PolarHBondContact OG1-O 3.42Å
236G91.9Very high93.1Very high34 Ų3451 Ų5135%0.35127%0.273SS..SBendtrans73.219.9-173.400000112.9D231 R234D231-G236 WeakPolarHBondContact OD2-CA 3.1Å; D231-G236 PolarHBondContact OD2-N 3.45Å; R234-G236 PolarHBondContact O-N 3.48Å
237K94.1Very high92.9Very high90 Ų9054.2 Ų54.239%0.39130%0.295SS..  trans-141.9124.7-174.7-60.1178.1-176.9-171.20111.3Y187 T235Y187-K237 HydrophobicContact CD2-CB 3.77Å; Y187-K237 HydrophobicContact CD2-CD 3.89Å; Y187-K237 HydrophobicContact CD2-CG 3.71Å; Y187-K237 HydrophobicContact CE1-CD 4.19Å; Y187-K237 HydrophobicContact CE2-CB 4.2Å; Y187-K237 HydrophobicContact CE2-CD 3.47Å; Y187-K237 VanDerWaalsContact CE2-CD 3.47Å; Y187-K237 HydrophobicContact CE2-CG 3.61Å; Y187-K237 HydrophobicContact CG-CB 4.21Å; Y187-K237 HydrophobicContact CG-CD 4.41Å; Y187-K237 HydrophobicContact CG-CG 4.48Å; Y187-K237 PolarHBondContact OH-NZ 3.24Å; Y187-K237 VanDerWaalsContact OH-NZ 3.13Å; T235-K237 VanDerWaalsContact C-N 3.28Å; T235-K237 PolarHBondContact OG1-N 3.47Å; T235-K237 PolarHBondContact OG1-O 3.42Å
238I95.4Very high92.7Very high1 Ų155.6 Ų55.61%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-115.9132.3174.2-54.8170.3000109.3Y187 L188 F226 F227 L230 D231 I243Y187-I238 CarbonylContact C-O 3.6Å; Y187-I238 WeakPolarHBondContact CA-O 3.13Å; Y187-I238 VanDerWaalsContact CB-O 3.26Å; Y187-I238 WeakPolarHBondContact CB-O 3.3Å; L188-I238 PolarHBondContact N-O 3.15Å; L188-I238 PolarHBondContact O-N 2.73Å; F226-I238 HydrophobicContact CB-CD1 3.95Å; F227-I238 HydrophobicContact CB-CD1 4.33Å; F227-I238 HydrophobicContact CD1-CD1 3.83Å; F227-I238 HydrophobicContact CD1-CG1 3.96Å; F227-I238 HydrophobicContact CD2-CD1 3.59Å; F227-I238 HydrophobicContact CE1-CD1 3.86Å; F227-I238 HydrophobicContact CE1-CG1 3.75Å; F227-I238 HydrophobicContact CE2-CD1 3.6Å; F227-I238 HydrophobicContact CE2-CG1 4.32Å; F227-I238 HydrophobicContact CG-CD1 3.69Å; F227-I238 HydrophobicContact CG-CG1 4.33Å; F227-I238 HydrophobicContact CZ-CD1 3.73Å; F227-I238 HydrophobicContact CZ-CG1 3.92Å; L230-I238 HydrophobicContact CB-CD1 4.27Å; L230-I238 HydrophobicContact CB-CG1 4.28Å; L230-I238 HydrophobicContact CB-CG2 3.6Å; L230-I238 HydrophobicContact CD1-CG2 3.8Å; L230-I238 HydrophobicContact CG-CG2 4.37Å; D231-I238 HydrophobicContact CB-CG1 4.13Å; I238-I243 HydrophobicContact CB-CD1 4.34Å; I238-I243 HydrophobicContact CB-CG1 4.45Å; I238-I243 HydrophobicContact CG2-CD1 3.96Å; I238-I243 HydrophobicContact CG2-CG1 3.56Å
239K94.8Very high92.6Very high124 Ų12455.1 Ų55.154%0.53930%0.299SS..EExtended strand (participates in β ladder)trans-71.4139.8175.7-57.8175.3-170.5155.40110.1G186 Q241 D242 I243G186-K239 WeakPolarHBondContact O-CA 3.28Å; K239-Q241 PolarHBondContact O-N 3.1Å; K239-Q241 VanDerWaalsContact O-N 3.15Å; K239-D242 HydrophobicContact CB-CB 4.41Å; K239-D242 WeakPolarHBondContact CB-OD2 2.94Å; K239-D242 PolarHBondContact O-N 3.4Å; K239-I243 PolarHBondContact O-N 2.81Å
240I94.8Very high92.4Very high6 Ų658.2 Ų58.23%0.03132%0.316CS..Hα-helixtrans-58.2-33175.7-65.3171000111.1R174 L177 D181 G186 L188 D242 I243 L244R174-I240 HydrophobicContact CG-CG2 4.31Å; L177-I240 HydrophobicContact CB-CG1 4.46Å; L177-I240 HydrophobicContact CB-CG2 3.95Å; L177-I240 HydrophobicContact CD1-CG2 4.06Å; D181-I240 HydrophobicContact CB-CD1 4.1Å; G186-I240 PolarHBondContact O-N 2.91Å; L188-I240 HydrophobicContact CD1-CG1 4.34Å; L188-I240 HydrophobicContact CD2-CD1 4.36Å; L188-I240 HydrophobicContact CD2-CG1 4.4Å; L188-I240 HydrophobicContact CG-CD1 4.43Å; L188-I240 HydrophobicContact CG-CG1 3.93Å; I240-D242 VanDerWaalsContact C-N 3.32Å; I240-D242 PolarHBondContact O-N 3.16Å; I240-I243 PolarHBondContact O-N 2.82Å; I240-L244 HydrophobicContact CG2-CD1 3.99Å; I240-L244 HydrophobicContact CG2-CG 4.41Å; I240-L244 VanDerWaalsContact O-CG 3.28Å; I240-L244 WeakPolarHBondContact O-CG 3.46Å; I240-L244 PolarHBondContact O-N 3.01Å
241Q94.1Very high92.3Very high126 Ų12659.1 Ų59.159%0.58932%0.322SS*.Hα-helixtrans-64.7-36.4176.7-67-178.1-9.600112.8K239 L244 A245K239-Q241 PolarHBondContact O-N 3.1Å; K239-Q241 VanDerWaalsContact O-N 3.15Å; Q241-L244 PolarHBondContact O-N 3.27Å; Q241-A245 WeakPolarHBondContact O-CB 3.27Å; Q241-A245 PolarHBondContact O-N 3.43Å; Q241-A245 VanDerWaalsContact O-N 3.17Å
242D94.8Very high92.3Very high62 Ų6258.6 Ų58.633%0.33232%0.319SS..Hα-helixtrans-73.7-36.1-179.7-57.7-22.3000109.9K239 I240 A245 C246K239-D242 HydrophobicContact CB-CB 4.41Å; K239-D242 WeakPolarHBondContact CB-OD2 2.94Å; K239-D242 PolarHBondContact O-N 3.4Å; I240-D242 VanDerWaalsContact C-N 3.32Å; I240-D242 PolarHBondContact O-N 3.16Å; D242-A245 PolarHBondContact O-N 3.33Å; D242-C246 PolarHBondContact O-N 3.21Å; D242-C246 VanDerWaalsContact O-N 3.1Å
243I95.4Very high92.6Very high1 Ų156.8 Ų56.81%0.00531%0.306CS..Hα-helixtrans-62.9-41.6171.8-60.3171.8000111.2L177 L188 L193 F226 L230 I238 K239 I240 A245 C246 L249L177-I243 HydrophobicContact CD1-CB 4.32Å; L177-I243 HydrophobicContact CD1-CG2 3.79Å; L188-I243 HydrophobicContact CD1-CD1 3.92Å; L193-I243 HydrophobicContact CD1-CD1 4.41Å; F226-I243 HydrophobicContact CD1-CG2 4.38Å; F226-I243 HydrophobicContact CE1-CG2 4.14Å; L230-I243 HydrophobicContact CD1-CG1 4Å; I238-I243 HydrophobicContact CB-CD1 4.34Å; I238-I243 HydrophobicContact CB-CG1 4.45Å; I238-I243 HydrophobicContact CG2-CD1 3.96Å; I238-I243 HydrophobicContact CG2-CG1 3.56Å; K239-I243 PolarHBondContact O-N 2.81Å; I240-I243 PolarHBondContact O-N 2.82Å; I243-A245 PolarHBondContact O-N 3.48Å; I243-C246 PolarHBondContact O-SG 3.07Å; I243-L249 HydrophobicContact CG2-CD2 4.26Å; I243-L249 WeakPolarHBondContact O-CD2 3.35Å
244L93.4Very high92.9Very high29 Ų2954 Ų5415%0.15229%0.289CS..Hα-helixtrans-72.3-16.8178.3-69.3167000113.8T173 R174 L177 I240 Q241 L249T173-L244 HydrophobicContact CG2-CD2 3.78Å; R174-L244 HydrophobicContact CB-CD1 3.57Å; R174-L244 HydrophobicContact CB-CD2 4.44Å; R174-L244 HydrophobicContact CG-CD1 3.77Å; L177-L244 HydrophobicContact CD1-CD2 4.17Å; L177-L244 HydrophobicContact CD1-CG 4.32Å; I240-L244 HydrophobicContact CG2-CD1 3.99Å; I240-L244 HydrophobicContact CG2-CG 4.41Å; I240-L244 VanDerWaalsContact O-CG 3.28Å; I240-L244 WeakPolarHBondContact O-CG 3.46Å; I240-L244 PolarHBondContact O-N 3.01Å; Q241-L244 PolarHBondContact O-N 3.27Å; L244-L249 HydrophobicContact CD2-CD2 4.12Å
245A92.5Very high93Very high85 Ų8547.6 Ų47.670%0.70227%0.265SS*.Hα-helixtrans-101.1-11-178.100000112.8Q241 D242 I243Q241-A245 WeakPolarHBondContact O-CB 3.27Å; Q241-A245 PolarHBondContact O-N 3.43Å; Q241-A245 VanDerWaalsContact O-N 3.17Å; D242-A245 PolarHBondContact O-N 3.33Å; I243-A245 PolarHBondContact O-N 3.48Å
246C92.6Very high93Very high15 Ų1549.5 Ų49.510%0.10126%0.263CS..SBendtrans-83.5149.3178.7760000111.3L230 D242 I243 F248L230-C246 HydrophobicContact CD1-CB 4.28Å; L230-C246 HydrophobicContact CD2-CB 4.04Å; D242-C246 PolarHBondContact O-N 3.21Å; D242-C246 VanDerWaalsContact O-N 3.1Å; I243-C246 PolarHBondContact O-SG 3.07Å; C246-F248 VanDerWaalsContact C-N 3.27Å; C246-F248 HydrophobicContact CB-CD2 3.96Å; C246-F248 HydrophobicContact CB-CE2 4.35Å; C246-F248 HydrophobicContact CB-CG 4.48Å; C246-F248 PolarHBondContact O-N 3.16Å
247S91.5Very high92.9Very high68 Ų6852 Ų5248%0.47627%0.268SS..THydrogen-bonded Turntrans-69.5-25.8174.453.80000112.6L249 D250 D251S247-L249 PolarHBondContact O-N 3.42Å; S247-D250 WeakPolarHBondContact O-CA 3.33Å; S247-D250 WeakPolarHBondContact O-CB 3.4Å; S247-D250 PolarHBondContact O-N 2.86Å; S247-D251 PolarHBondContact O-N 3.08Å; S247-D251 VanDerWaalsContact O-N 3.11Å
248F92.8Very high92.5Very high34 Ų3455 Ų5515%0.14928%0.284CS..Hα-helixtrans-61.6-30-176.3-42.4-41.9000113.1K225 F226 F229 C246 D250 D251 L252 F270K225-F248 HydrophobicContact CG-CG 4.48Å; F226-F248 HydrophobicContact CE1-CB 4.02Å; F226-F248 HydrophobicContact CZ-CB 4.19Å; F229-F248 HydrophobicContact CB-CE2 3.51Å; F229-F248 HydrophobicContact CB-CZ 3.88Å; F229-F248 HydrophobicContact CD1-CZ 4.45Å; F229-F248 AromaticContact CD2-CE2 3.98Å; F229-F248 HydrophobicContact CD2-CE2 3.98Å; F229-F248 AromaticContact CD2-CZ 3.86Å; F229-F248 HydrophobicContact CD2-CZ 3.86Å; F229-F248 AromaticContact CG-CE2 3.89Å; F229-F248 HydrophobicContact CG-CE2 3.89Å; F229-F248 AromaticContact CG-CZ 3.79Å; F229-F248 HydrophobicContact CG-CZ 3.79Å; C246-F248 VanDerWaalsContact C-N 3.27Å; C246-F248 HydrophobicContact CB-CD2 3.96Å; C246-F248 HydrophobicContact CB-CE2 4.35Å; C246-F248 HydrophobicContact CB-CG 4.48Å; C246-F248 PolarHBondContact O-N 3.16Å; F248-D250 VanDerWaalsContact C-N 3.31Å; F248-D251 PolarHBondContact O-N 3.23Å; F248-L252 WeakPolarHBondContact O-CB 3.35Å; F248-L252 PolarHBondContact O-N 3.04Å; F248-F270 HydrophobicContact CB-CE2 3.87Å; F248-F270 HydrophobicContact CB-CZ 3.87Å; F248-F270 WeakPolarHBondContact O-CE2 3.49Å
249L93.1Very high92.1Very high1 Ų163.5 Ų63.51%0.00532%0.323CS..Hα-helixtrans-67.7-36175.5-178.863.1000111.4W169 T173 F226 I243 L244 S247 L253W169-L249 HydrophobicContact CH2-CD2 4.49Å; T173-L249 HydrophobicContact CG2-CD2 3.89Å; F226-L249 HydrophobicContact CE1-CB 4.42Å; I243-L249 HydrophobicContact CG2-CD2 4.26Å; I243-L249 WeakPolarHBondContact O-CD2 3.35Å; L244-L249 HydrophobicContact CD2-CD2 4.12Å; S247-L249 PolarHBondContact O-N 3.42Å; L249-L253 HydrophobicContact CD1-CD1 3.95Å; L249-L253 HydrophobicContact CD1-CG 4.38Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.37Å; L249-L253 PolarHBondContact O-N 2.99Å; L249-L253 VanDerWaalsContact O-N 3.1Å
250D91.4Very high91.7Very high88 Ų8858.3 Ų58.347%0.47130%0.301SS..Hα-helixtrans-67-45.8175.4-61.7-34.3000109.8W169 S247 F248 L252 L253 E254W169-D250 VanDerWaalsContact CH2-OD1 3.31Å; W169-D250 WeakPolarHBondContact CH2-OD1 3.19Å; S247-D250 WeakPolarHBondContact O-CA 3.33Å; S247-D250 WeakPolarHBondContact O-CB 3.4Å; S247-D250 PolarHBondContact O-N 2.86Å; F248-D250 VanDerWaalsContact C-N 3.31Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 2.99Å; D250-L253 CarbonylContact O-C 3.56Å; D250-L253 PolarHBondContact O-N 2.78Å; D250-E254 PolarHBondContact O-N 3.1Å
251D93.4Very high91.5Very high57 Ų5760.6 Ų60.631%0.30532%0.318SS..Hα-helixtrans-56.8-43.1175.4-55.9-23.1000111.7S247 F248 L253 E254 N268 F270S247-D251 PolarHBondContact O-N 3.08Å; S247-D251 VanDerWaalsContact O-N 3.11Å; F248-D251 PolarHBondContact O-N 3.23Å; D251-L253 VanDerWaalsContact C-N 3.32Å; D251-L253 PolarHBondContact O-N 2.8Å; D251-E254 WeakPolarHBondContact O-CB 3.27Å; D251-N268 PolarHBondContact O-ND2 2.53Å; D251-F270 HydrophobicContact CB-CD2 3.76Å; D251-F270 HydrophobicContact CB-CE2 3.96Å
252L93.8Very high91.1Very high0 Ų062.7 Ų62.70%033%0.325CS..Hα-helixtrans-64.4-37.4177177.764000112.1L200 L204 F226 F248 D250 L255 F270L200-L252 HydrophobicContact CD2-CD1 4.45Å; L200-L252 HydrophobicContact CD2-CD2 3.77Å; L200-L252 HydrophobicContact CD2-CG 3.96Å; L204-L252 HydrophobicContact CD1-CD1 4.23Å; F226-L252 HydrophobicContact CE2-CD2 4.32Å; F226-L252 HydrophobicContact CZ-CD2 4.28Å; F248-L252 WeakPolarHBondContact O-CB 3.35Å; F248-L252 PolarHBondContact O-N 3.04Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 2.99Å; L252-L255 HydrophobicContact CD1-CD1 4.26Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 WeakPolarHBondContact O-CG 3.17Å; L252-F270 HydrophobicContact CB-CB 4.49Å; L252-F270 HydrophobicContact CB-CD1 4.31Å; L252-F270 HydrophobicContact CB-CD2 4.01Å; L252-F270 HydrophobicContact CB-CE2 4.31Å; L252-F270 HydrophobicContact CB-CG 4.01Å; L252-F270 HydrophobicContact CD1-CB 3.9Å; L252-F270 HydrophobicContact CD1-CD1 3.85Å; L252-F270 HydrophobicContact CD1-CG 3.93Å
253L90.6Very high90.7Very high18 Ų1866.9 Ų66.99%0.09434%0.343CS..Hα-helixtrans-84.8-18.8-176.6-68.8171.9000113W169 L200 L249 D250 D251 L255 R256W169-L253 HydrophobicContact CH2-CD1 4.21Å; W169-L253 HydrophobicContact CZ2-CD1 3.32Å; L200-L253 HydrophobicContact CD1-CD2 4.35Å; L200-L253 HydrophobicContact CD2-CD2 4.24Å; L249-L253 HydrophobicContact CD1-CD1 3.95Å; L249-L253 HydrophobicContact CD1-CG 4.38Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.37Å; L249-L253 PolarHBondContact O-N 2.99Å; L249-L253 VanDerWaalsContact O-N 3.1Å; D250-L253 CarbonylContact O-C 3.56Å; D250-L253 PolarHBondContact O-N 2.78Å; D251-L253 VanDerWaalsContact C-N 3.32Å; D251-L253 PolarHBondContact O-N 2.8Å; L253-L255 PolarHBondContact O-N 2.85Å; L253-R256 VanDerWaalsContact O-CB 3.28Å; L253-R256 WeakPolarHBondContact O-CB 3.49Å; L253-R256 WeakPolarHBondContact O-CG 3.32Å; L253-R256 PolarHBondContact O-N 3.11Å; L253-R256 VanDerWaalsContact O-N 3.11Å
254E91.1Very high90.4Very high80 Ų8068.6 Ų68.637%0.37436%0.355SS..Hα-helixtrans-58.4-28.1168.7-168.6-177.5-151.900111.7D250 D251 R256 D257 L260 N268D250-E254 PolarHBondContact O-N 3.1Å; D251-E254 WeakPolarHBondContact O-CB 3.27Å; E254-R256 PolarHBondContact O-N 2.68Å; E254-D257 WeakPolarHBondContact O-CB 3.37Å; E254-D257 PolarHBondContact O-N 3.31Å; E254-L260 HydrophobicContact CG-CD1 3.74Å; E254-L260 HydrophobicContact CG-CD2 4.38Å; E254-N268 PolarHBondContact OE2-ND2 3.14Å
255L91.9Very high90.1Very high0 Ų068.8 Ų68.80%036%0.355CS..THydrogen-bonded Turntrans-63.4-5.7174.7-56.6-179.3000114.4L204 P205 Q206 L207 L252 L253 D257 L260 F270L204-L255 HydrophobicContact CB-CB 4.28Å; L204-L255 HydrophobicContact CD1-CB 4.29Å; L204-L255 HydrophobicContact CD1-CD1 4.24Å; L204-L255 HydrophobicContact CD2-CB 4.23Å; L204-L255 HydrophobicContact CG-CB 4.48Å; P205-L255 WeakPolarHBondContact CD-O 3.45Å; Q206-L255 HydrophobicContact CB-CB 4.18Å; Q206-L255 HydrophobicContact CB-CD2 4.18Å; Q206-L255 WeakPolarHBondContact CG-O 3.36Å; Q206-L255 PolarHBondContact N-O 3.46Å; L207-L255 HydrophobicContact CD1-CD1 4.33Å; L207-L255 HydrophobicContact CD2-CD1 4.19Å; L207-L255 HydrophobicContact CG-CD1 4.3Å; L252-L255 HydrophobicContact CD1-CD1 4.26Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 WeakPolarHBondContact O-CG 3.17Å; L253-L255 PolarHBondContact O-N 2.85Å; L255-D257 VanDerWaalsContact C-N 3.33Å; L255-L260 HydrophobicContact CD2-CD2 4.15Å; L255-F270 HydrophobicContact CD1-CB 3.73Å; L255-F270 VanDerWaalsContact CD1-O 3.25Å; L255-F270 WeakPolarHBondContact CD1-O 3.36Å
256R90.2Very high89.8Confident121 Ų12171.4 Ų71.446%0.45735%0.353SS..THydrogen-bonded Turntrans-76.5-21.2169.6-69-178.3172.3-171.1-2.9113.1L200 L204 L253 E254 E258L200-R256 VanDerWaalsContact CD1-NH2 3.25Å; L204-R256 HydrophobicContact CD2-CG 3.36Å; L253-R256 VanDerWaalsContact O-CB 3.28Å; L253-R256 WeakPolarHBondContact O-CB 3.49Å; L253-R256 WeakPolarHBondContact O-CG 3.32Å; L253-R256 PolarHBondContact O-N 3.11Å; L253-R256 VanDerWaalsContact O-N 3.11Å; E254-R256 PolarHBondContact O-N 2.68Å; R256-E258 PolarHBondContact O-N 2.72Å
257D89.2Confident89.7Confident85 Ų8576.1 Ų76.146%0.45538%0.381SS..  trans-75.5119178.2-168-10.2000109.7Q206 E254 L255 E259Q206-D257 WeakPolarHBondContact CG-O 3.23Å; Q206-D257 PolarHBondContact NE2-O 3.31Å; E254-D257 WeakPolarHBondContact O-CB 3.37Å; E254-D257 PolarHBondContact O-N 3.31Å; L255-D257 VanDerWaalsContact C-N 3.33Å; D257-E259 VanDerWaalsContact C-N 3.28Å; D257-E259 PolarHBondContact OD1-N 2.89Å
258E84.8Confident89.8Confident155 Ų15573.2 Ų73.272%0.72436%0.36SS*.THydrogen-bonded Turntrans-69.3-28.2177.9-68.1-178.5-173.600111.9P205 Q206 R256 L260P205-E258 HydrophobicContact CB-CG 3.82Å; P205-E258 HydrophobicContact CG-CG 3.86Å; Q206-E258 PolarHBondContact NE2-O 3.05Å; R256-E258 PolarHBondContact O-N 2.72Å; E258-L260 VanDerWaalsContact C-N 3.3Å; E258-L260 PolarHBondContact O-N 3.23Å
259E87.3Confident89.8Confident178 Ų17872.6 Ų72.683%0.83236%0.357SS*.THydrogen-bonded Turntrans-91.913.1-175.3-60.9-172.2168.600113D257 S261D257-E259 VanDerWaalsContact C-N 3.28Å; D257-E259 PolarHBondContact OD1-N 2.89Å; E259-S261 PolarHBondContact O-N 3.27Å; E259-S261 VanDerWaalsContact O-N 3.17Å
260L87.3Confident90Very high15 Ų1572.6 Ų72.68%0.07936%0.357CS..  trans-58.2121.4-178.6-168.664.3000111.3Q206 E254 L255 E258 Q265Q206-L260 HydrophobicContact CG-CB 4.36Å; Q206-L260 HydrophobicContact CG-CD2 4.35Å; E254-L260 HydrophobicContact CG-CD1 3.74Å; E254-L260 HydrophobicContact CG-CD2 4.38Å; L255-L260 HydrophobicContact CD2-CD2 4.15Å; E258-L260 VanDerWaalsContact C-N 3.3Å; E258-L260 PolarHBondContact O-N 3.23Å; L260-Q265 HydrophobicContact CD2-CG 3.83Å; L260-Q265 HydrophobicContact CG-CG 4.05Å; L260-Q265 PolarHBondContact O-NE2 3.1Å
261S89.3Confident90.1Very high54 Ų5468.5 Ų68.538%0.37834%0.335SS..  trans-60.9151.3-177.889.40000112E259 E263 S264 Q265E259-S261 PolarHBondContact O-N 3.27Å; E259-S261 VanDerWaalsContact O-N 3.17Å; S261-E263 VanDerWaalsContact C-N 3.26Å; S261-E263 PolarHBondContact O-N 2.96Å; S261-S264 WeakPolarHBondContact O-CB 3.27Å; S261-S264 PolarHBondContact O-N 3.3Å; S261-S264 WeakPolarHBondContact OG-CB 3.31Å; S261-S264 PolarHBondContact OG-N 2.87Å; S261-S264 VanDerWaalsContact OG-N 3.07Å; S261-S264 PolarHBondContact OG-OG 3.41Å; S261-Q265 WeakPolarHBondContact O-CG 3.43Å; S261-Q265 PolarHBondContact O-N 3.33Å
262K86.4Confident90.1Very high171 Ų17166.4 Ų66.474%0.74333%0.326SS*.Hα-helixtrans-60.2-36.7177.5-67.4-175.6179.2-178.90112.6Q265 E266K262-Q265 WeakPolarHBondContact O-CB 3.25Å; K262-Q265 PolarHBondContact O-N 3.47Å; K262-E266 WeakPolarHBondContact O-CG 3.46Å; K262-E266 PolarHBondContact O-N 2.78Å
263E87.5Confident90.1Very high150 Ų15069.3 Ų69.370%0.70135%0.345SS*.Hα-helixtrans-65.9-42.3177.5-173.9179.5177.700111.5S261 Q265 E266 T267S261-E263 VanDerWaalsContact C-N 3.26Å; S261-E263 PolarHBondContact O-N 2.96Å; E263-Q265 VanDerWaalsContact C-N 3.3Å; E263-Q265 PolarHBondContact O-N 2.91Å; E263-E266 PolarHBondContact O-N 3.34Å; E263-T267 PolarHBondContact O-N 3.15Å; E263-T267 VanDerWaalsContact O-N 3.16Å; E263-T267 PolarHBondContact O-OG1 2.85Å; E263-T267 VanDerWaalsContact O-OG1 3.1Å
264S87.6Confident90.2Very high36 Ų3668.7 Ų68.725%0.25234%0.342SS..Hα-helixtrans-61.3-39.5172-54.80000111.5S261 T267 N268S261-S264 WeakPolarHBondContact O-CB 3.27Å; S261-S264 PolarHBondContact O-N 3.3Å; S261-S264 WeakPolarHBondContact OG-CB 3.31Å; S261-S264 PolarHBondContact OG-N 2.87Å; S261-S264 VanDerWaalsContact OG-N 3.07Å; S261-S264 PolarHBondContact OG-OG 3.41Å; S264-T267 WeakPolarHBondContact CA-OG1 3.49Å; S264-T267 PolarHBondContact O-N 3.5Å; S264-T267 PolarHBondContact O-OG1 3.21Å; S264-N268 WeakPolarHBondContact O-CB 3.49Å; S264-N268 PolarHBondContact O-N 3Å
265Q87.5Confident90.4Very high34 Ų3464.9 Ų64.916%0.15932%0.324CS..Hα-helixtrans-64.8-40176.3-67.4177.822.200112.3L260 S261 K262 E263 T267 N268 S271 S274L260-Q265 HydrophobicContact CD2-CG 3.83Å; L260-Q265 HydrophobicContact CG-CG 4.05Å; L260-Q265 PolarHBondContact O-NE2 3.1Å; S261-Q265 WeakPolarHBondContact O-CG 3.43Å; S261-Q265 PolarHBondContact O-N 3.33Å; K262-Q265 WeakPolarHBondContact O-CB 3.25Å; K262-Q265 PolarHBondContact O-N 3.47Å; E263-Q265 VanDerWaalsContact C-N 3.3Å; E263-Q265 PolarHBondContact O-N 2.91Å; Q265-T267 VanDerWaalsContact C-N 3.3Å; Q265-T267 PolarHBondContact O-N 3.21Å; Q265-N268 PolarHBondContact O-N 2.88Å; Q265-S271 WeakPolarHBondContact O-CB 3.42Å; Q265-S271 PolarHBondContact O-OG 2.64Å; Q265-S274 PolarHBondContact O-OG 2.75Å
266E87.3Confident90.5Very high139 Ų13968.9 Ų68.965%0.6535%0.345SS*.Hα-helixtrans-68-30.2179.5-74.6176.9-172.600112.9K262 E263 S274K262-E266 WeakPolarHBondContact O-CG 3.46Å; K262-E266 PolarHBondContact O-N 2.78Å; E263-E266 PolarHBondContact O-N 3.34Å; E266-S274 PolarHBondContact O-OG 3.03Å
267T89.4Confident90.6Very high115 Ų11568 Ų6871%0.70634%0.342SS*.Hα-helixtrans-85.2-28.717851.70000113E263 S264 Q265 W269E263-T267 PolarHBondContact O-N 3.15Å; E263-T267 VanDerWaalsContact O-N 3.16Å; E263-T267 PolarHBondContact O-OG1 2.85Å; E263-T267 VanDerWaalsContact O-OG1 3.1Å; S264-T267 WeakPolarHBondContact CA-OG1 3.49Å; S264-T267 PolarHBondContact O-N 3.5Å; S264-T267 PolarHBondContact O-OG1 3.21Å; Q265-T267 VanDerWaalsContact C-N 3.3Å; Q265-T267 PolarHBondContact O-N 3.21Å; T267-W269 PolarHBondContact O-N 3.04Å
268N92.9Very high90.9Very high7 Ų764 Ų644%0.03732%0.32CS..  trans-76.4119.8-180-172.7-34.2000111.4D251 E254 S264 Q265 F270 S271 S274D251-N268 PolarHBondContact O-ND2 2.53Å; E254-N268 PolarHBondContact OE2-ND2 3.14Å; S264-N268 WeakPolarHBondContact O-CB 3.49Å; S264-N268 PolarHBondContact O-N 3Å; Q265-N268 PolarHBondContact O-N 2.88Å; N268-F270 VanDerWaalsContact C-N 3.25Å; N268-F270 PolarHBondContact O-N 3.29Å; N268-F270 WeakPolarHBondContact OD1-CB 3.47Å; N268-F270 PolarHBondContact OD1-N 2.96Å; N268-S271 WeakPolarHBondContact O-CB 3.28Å; N268-S271 PolarHBondContact O-N 3.26Å; N268-S271 PolarHBondContact O-OG 3.46Å; N268-S271 VanDerWaalsContact O-OG 3.08Å; N268-S274 VanDerWaalsContact O-CB 3.22Å; N268-S274 WeakPolarHBondContact O-CB 3.31Å; N268-S274 PolarHBondContact O-OG 2.88Å
269W94Very high91.4Very high21 Ų2158.7 Ų58.78%0.0829%0.294CS..THydrogen-bonded Turntrans-60.6-32-179.8176.9-96.6000113.6T221 K225 T267 S271 V278 L331 V334 L335 E338T221-W269 HydrophobicContact CG2-CZ2 3.79Å; T221-W269 PolarHBondContact O-NE1 3.44Å; K225-W269 HydrophobicContact CD-CD2 4.33Å; K225-W269 HydrophobicContact CD-CG 4.04Å; K225-W269 HydrophobicContact CG-CG 4.47Å; T267-W269 PolarHBondContact O-N 3.04Å; W269-S271 VanDerWaalsContact C-N 3.33Å; W269-V278 HydrophobicContact CH2-CG1 4.26Å; W269-V278 HydrophobicContact CH2-CG2 3.73Å; W269-V278 HydrophobicContact CZ3-CG2 3.75Å; W269-L331 HydrophobicContact CZ2-CD2 4.34Å; W269-V334 HydrophobicContact CH2-CG1 4.25Å; W269-L335 HydrophobicContact CD2-CD2 4.28Å; W269-L335 HydrophobicContact CE3-CD2 4.41Å; W269-L335 HydrophobicContact CH2-CD2 3.72Å; W269-L335 HydrophobicContact CH2-CG 4.26Å; W269-L335 HydrophobicContact CZ2-CD2 3.56Å; W269-L335 HydrophobicContact CZ2-CG 4.12Å; W269-L335 HydrophobicContact CZ3-CD2 4.15Å; W269-E338 WeakPolarHBondContact CZ3-OE2 3.47Å
270F96.1Very high91.7Very high1 Ų151.3 Ų51.30%0.00427%0.266CS..THydrogen-bonded Turntrans-85.1-7.4-175.3-59.6-77.6000113.2Y218 A222 K225 F226 F248 D251 L252 L255 N268Y218-F270 VanDerWaalsContact CE2-O 3.26Å; Y218-F270 WeakPolarHBondContact CE2-O 3.14Å; Y218-F270 PolarHBondContact OH-O 2.88Å; A222-F270 HydrophobicContact CB-CD1 3.86Å; A222-F270 HydrophobicContact CB-CE1 4.07Å; K225-F270 HydrophobicContact CB-CE1 4.2Å; K225-F270 HydrophobicContact CB-CZ 4.1Å; K225-F270 HydrophobicContact CG-CE1 4.47Å; K225-F270 HydrophobicContact CG-CZ 3.9Å; F226-F270 HydrophobicContact CD2-CE1 4.32Å; F226-F270 HydrophobicContact CD2-CZ 4.41Å; F226-F270 AromaticContact CE2-CE1 3.61Å; F226-F270 HydrophobicContact CE2-CE1 3.61Å; F226-F270 AromaticContact CE2-CZ 3.66Å; F226-F270 HydrophobicContact CE2-CZ 3.66Å; F226-F270 HydrophobicContact CZ-CE1 4.3Å; F226-F270 AromaticContact CZ-CZ 3.96Å; F226-F270 HydrophobicContact CZ-CZ 3.96Å; F248-F270 HydrophobicContact CB-CE2 3.87Å; F248-F270 HydrophobicContact CB-CZ 3.87Å; F248-F270 WeakPolarHBondContact O-CE2 3.49Å; D251-F270 HydrophobicContact CB-CD2 3.76Å; D251-F270 HydrophobicContact CB-CE2 3.96Å; L252-F270 HydrophobicContact CB-CB 4.49Å; L252-F270 HydrophobicContact CB-CD1 4.31Å; L252-F270 HydrophobicContact CB-CD2 4.01Å; L252-F270 HydrophobicContact CB-CE2 4.31Å; L252-F270 HydrophobicContact CB-CG 4.01Å; L252-F270 HydrophobicContact CD1-CB 3.9Å; L252-F270 HydrophobicContact CD1-CD1 3.85Å; L252-F270 HydrophobicContact CD1-CG 3.93Å; L255-F270 HydrophobicContact CD1-CB 3.73Å; L255-F270 VanDerWaalsContact CD1-O 3.25Å; L255-F270 WeakPolarHBondContact CD1-O 3.36Å; N268-F270 VanDerWaalsContact C-N 3.25Å; N268-F270 PolarHBondContact O-N 3.29Å; N268-F270 WeakPolarHBondContact OD1-CB 3.47Å; N268-F270 PolarHBondContact OD1-N 2.96Å
271S94.9Very high92.1Very high1 Ų153.6 Ų53.61%0.00728%0.276CS..SBendtrans-65.1152.3179.679.90000111.5Q265 N268 W269 S274 A275Q265-S271 WeakPolarHBondContact O-CB 3.42Å; Q265-S271 PolarHBondContact O-OG 2.64Å; N268-S271 WeakPolarHBondContact O-CB 3.28Å; N268-S271 PolarHBondContact O-N 3.26Å; N268-S271 PolarHBondContact O-OG 3.46Å; N268-S271 VanDerWaalsContact O-OG 3.08Å; W269-S271 VanDerWaalsContact C-N 3.33Å; S271-S274 PolarHBondContact O-N 3.47Å; S271-S274 WeakPolarHBondContact OG-CB 3.48Å; S271-S274 PolarHBondContact OG-N 3.1Å; S271-S274 PolarHBondContact OG-OG 3.17Å; S271-S274 VanDerWaalsContact OG-OG 3.12Å; S271-A275 PolarHBondContact O-N 2.93Å
272A93.1Very high92.3Very high14 Ų1451.3 Ų51.312%0.11626%0.259CS..Hα-helixtrans-57.4-44.917500000112.6L207 L210 S274 A275 L276L207-A272 HydrophobicContact CD2-CB 3.94Å; L210-A272 HydrophobicContact CD1-CB 4.18Å; L210-A272 HydrophobicContact CD2-CB 3.71Å; L210-A272 HydrophobicContact CG-CB 3.89Å; A272-S274 PolarHBondContact O-N 2.87Å; A272-A275 PolarHBondContact O-N 3.22Å; A272-L276 WeakPolarHBondContact O-CB 3.32Å; A272-L276 VanDerWaalsContact O-CG 3.25Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 3.37Å
273P93.2Very high92.7Very high61 Ų6146.4 Ų46.440%0.39624%0.241SC..Hα-helixtrans-57.7-44175.3-26.435.5000113.8L276 R277P273-L276 PolarHBondContact O-N 2.79Å; P273-R277 VanDerWaalsContact O-CB 3.31Å; P273-R277 WeakPolarHBondContact O-CB 3.22Å; P273-R277 PolarHBondContact O-N 3.33Å
274S93.3Very high93Very high4 Ų445.4 Ų45.43%0.02824%0.24CC..Hα-helixtrans-65.6-46.2179.5-70.20000112.1Q265 E266 N268 S271 A272 L276 R277 V278Q265-S274 PolarHBondContact O-OG 2.75Å; E266-S274 PolarHBondContact O-OG 3.03Å; N268-S274 VanDerWaalsContact O-CB 3.22Å; N268-S274 WeakPolarHBondContact O-CB 3.31Å; N268-S274 PolarHBondContact O-OG 2.88Å; S271-S274 PolarHBondContact O-N 3.47Å; S271-S274 WeakPolarHBondContact OG-CB 3.48Å; S271-S274 PolarHBondContact OG-N 3.1Å; S271-S274 PolarHBondContact OG-OG 3.17Å; S271-S274 VanDerWaalsContact OG-OG 3.12Å; A272-S274 PolarHBondContact O-N 2.87Å; S274-L276 PolarHBondContact O-N 3.44Å; S274-R277 WeakPolarHBondContact O-CB 3.34Å; S274-R277 PolarHBondContact O-N 3.02Å; S274-V278 WeakPolarHBondContact O-CG2 3.47Å; S274-V278 PolarHBondContact O-N 3.44Å; S274-V278 VanDerWaalsContact O-N 3.07Å
275A94.6Very high93.4Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-62.8-42.2177.700000112F214 Y218 T221 S271 A272 V278 Y279F214-A275 HydrophobicContact CE1-CB 4.23Å; F214-A275 HydrophobicContact CZ-CB 4.38Å; Y218-A275 HydrophobicContact CD2-CB 3.67Å; Y218-A275 HydrophobicContact CE2-CB 4.02Å; T221-A275 HydrophobicContact CG2-CB 4.4Å; S271-A275 PolarHBondContact O-N 2.93Å; A272-A275 PolarHBondContact O-N 3.22Å; A275-V278 PolarHBondContact O-N 2.97Å; A275-Y279 WeakPolarHBondContact O-CB 3.4Å; A275-Y279 PolarHBondContact O-N 3.07Å
276L93.9Very high93.7Very high85 Ų8543 Ų4345%0.44523%0.226SC..Hα-helixtrans-67.6-35.3175.8-71.4170.8000112.2L210 F214 A272 P273 S274 G280L210-L276 HydrophobicContact CD2-CD1 4.17Å; L210-L276 HydrophobicContact CD2-CG 4.31Å; F214-L276 HydrophobicContact CD1-CD2 4.06Å; F214-L276 HydrophobicContact CD2-CD2 4.39Å; F214-L276 HydrophobicContact CE1-CD2 3.79Å; F214-L276 HydrophobicContact CE1-CG 4.23Å; F214-L276 HydrophobicContact CE2-CD2 4.18Å; F214-L276 HydrophobicContact CG-CD2 4.34Å; F214-L276 HydrophobicContact CZ-CD2 3.86Å; F214-L276 HydrophobicContact CZ-CG 4.46Å; A272-L276 WeakPolarHBondContact O-CB 3.32Å; A272-L276 VanDerWaalsContact O-CG 3.25Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 3.37Å; P273-L276 PolarHBondContact O-N 2.79Å; S274-L276 PolarHBondContact O-N 3.44Å; L276-G280 WeakPolarHBondContact O-CA 3.26Å; L276-G280 PolarHBondContact O-N 3.23Å
277R93.8Very high94Very high102 Ų10242.6 Ų42.639%0.38522%0.222SC..Hα-helixtrans-60.3-51.3174.3177.1-179.866.491-2.5110.8P273 S274 G280 Q281 E338P273-R277 VanDerWaalsContact O-CB 3.31Å; P273-R277 WeakPolarHBondContact O-CB 3.22Å; P273-R277 PolarHBondContact O-N 3.33Å; S274-R277 WeakPolarHBondContact O-CB 3.34Å; S274-R277 PolarHBondContact O-N 3.02Å; R277-G280 PolarHBondContact O-N 2.84Å; R277-Q281 WeakPolarHBondContact O-CG 3.48Å; R277-Q281 PolarHBondContact O-N 3.41Å; R277-E338 IonicContact CZ-OE1 2.7Å; R277-E338 IonicContact NH1-OE1 2.68Å; R277-E338 PolarHBondContact NH1-OE1 3.46Å; R277-E338 IonicContact NH2-OE1 3.62Å
278V94.9Very high94.2Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-64.8-43.9-178.4176.20000111W269 S274 A275 Q281 Y282 Y330 L331W269-V278 HydrophobicContact CH2-CG1 4.26Å; W269-V278 HydrophobicContact CH2-CG2 3.73Å; W269-V278 HydrophobicContact CZ3-CG2 3.75Å; S274-V278 WeakPolarHBondContact O-CG2 3.47Å; S274-V278 PolarHBondContact O-N 3.44Å; S274-V278 VanDerWaalsContact O-N 3.07Å; A275-V278 PolarHBondContact O-N 2.97Å; V278-Q281 PolarHBondContact O-N 3.42Å; V278-Y282 PolarHBondContact O-N 3.43Å; V278-Y282 VanDerWaalsContact O-N 3.12Å; V278-Y330 HydrophobicContact CG1-CE1 4.05Å; V278-L331 HydrophobicContact CG1-CD2 3.66Å
279Y95.3Very high94.1Very high44 Ų4448.1 Ų48.117%0.17324%0.242CC..Hα-helixtrans-67.1-39.3176.1-175.4-112.7000112.8F214 F217 A275 Q281 Y282 L283 Y327F214-Y279 HydrophobicContact CD2-CD1 4.05Å; F214-Y279 HydrophobicContact CD2-CE1 4.21Å; F214-Y279 AromaticContact CE2-CD1 3.44Å; F214-Y279 HydrophobicContact CE2-CD1 3.44Å; F214-Y279 VanDerWaalsContact CE2-CD1 3.44Å; F214-Y279 HydrophobicContact CE2-CD2 4.25Å; F214-Y279 HydrophobicContact CE2-CE1 4.01Å; F214-Y279 AromaticContact CE2-CG 3.56Å; F214-Y279 HydrophobicContact CE2-CG 3.56Å; F214-Y279 HydrophobicContact CZ-CD1 4.42Å; F214-Y279 HydrophobicContact CZ-CG 4.31Å; F217-Y279 HydrophobicContact CB-CD2 4.35Å; F217-Y279 HydrophobicContact CB-CE2 4.36Å; F217-Y279 HydrophobicContact CD1-CD2 4.01Å; F217-Y279 AromaticContact CD1-CE2 3.42Å; F217-Y279 HydrophobicContact CD1-CE2 3.42Å; F217-Y279 VanDerWaalsContact CD1-CE2 3.42Å; F217-Y279 HydrophobicContact CD2-CE2 4.22Å; F217-Y279 AromaticContact CE1-CE2 3.62Å; F217-Y279 HydrophobicContact CE1-CE2 3.62Å; F217-Y279 HydrophobicContact CE2-CE2 4.38Å; F217-Y279 HydrophobicContact CG-CD2 4.21Å; F217-Y279 AromaticContact CG-CE2 3.74Å; F217-Y279 HydrophobicContact CG-CE2 3.74Å; F217-Y279 HydrophobicContact CZ-CE2 4.1Å; F217-Y279 WeakPolarHBondContact CZ-OH 3.25Å; A275-Y279 WeakPolarHBondContact O-CB 3.4Å; A275-Y279 PolarHBondContact O-N 3.07Å; Y279-Q281 VanDerWaalsContact C-N 3.32Å; Y279-Q281 PolarHBondContact O-N 2.92Å; Y279-Y282 VanDerWaalsContact O-CB 3.31Å; Y279-Y282 WeakPolarHBondContact O-CB 3.42Å; Y279-Y282 PolarHBondContact O-N 3.36Å; Y279-Y282 VanDerWaalsContact O-N 3.16Å; Y279-L283 HydrophobicContact CD1-CD1 3.91Å; Y279-L283 HydrophobicContact CD1-CG 4.33Å; Y279-L283 HydrophobicContact CE1-CD1 3.46Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.46Å; Y279-L283 HydrophobicContact CE1-CD2 4.4Å; Y279-L283 HydrophobicContact CE1-CG 3.98Å; Y279-L283 PolarHBondContact O-N 2.87Å; Y279-Y327 HydrophobicContact CD2-CD2 4.28Å; Y279-Y327 HydrophobicContact CD2-CE1 4.28Å; Y279-Y327 AromaticContact CD2-CE2 3.78Å; Y279-Y327 HydrophobicContact CD2-CE2 3.78Å; Y279-Y327 AromaticContact CD2-CZ 3.76Å
280G94Very high94Very high24 Ų2450.4 Ų50.425%0.24726%0.256CS..Hα-helixtrans-63.3-37.8175.100000112.4L276 R277 Y282 L283 N284L276-G280 WeakPolarHBondContact O-CA 3.26Å; L276-G280 PolarHBondContact O-N 3.23Å; R277-G280 PolarHBondContact O-N 2.84Å; G280-Y282 VanDerWaalsContact C-N 3.35Å; G280-L283 PolarHBondContact O-N 2.87Å; G280-N284 WeakPolarHBondContact O-CB 3.31Å; G280-N284 PolarHBondContact O-N 3.1Å; G280-N284 PolarHBondContact O-ND2 3.34Å; G280-N284 VanDerWaalsContact O-ND2 3.16Å
281Q94.4Very high93.7Very high63 Ų6352.2 Ų52.229%0.29428%0.275SS..Hα-helixtrans-61.4-42.8171.5-74.5177.4-10.200111.7R277 V278 Y279 N284 L285 Y330R277-Q281 WeakPolarHBondContact O-CG 3.48Å; R277-Q281 PolarHBondContact O-N 3.41Å; V278-Q281 PolarHBondContact O-N 3.42Å; Y279-Q281 VanDerWaalsContact C-N 3.32Å; Y279-Q281 PolarHBondContact O-N 2.92Å; Q281-N284 PolarHBondContact O-N 3.06Å; Q281-L285 VanDerWaalsContact O-CG 3.31Å; Q281-L285 WeakPolarHBondContact O-CG 3.44Å; Q281-L285 PolarHBondContact O-N 3.18Å; Q281-Y330 WeakPolarHBondContact CB-OH 3.41Å
282Y95.4Very high93.7Very high5 Ų554.8 Ų54.82%0.0229%0.287CS..Hα-helixtrans-58-50.8174.9-177.4-97.8000112V278 Y279 G280 N284 L285 D286 G291 M292 L293 Y327 Y330V278-Y282 PolarHBondContact O-N 3.43Å; V278-Y282 VanDerWaalsContact O-N 3.12Å; Y279-Y282 VanDerWaalsContact O-CB 3.31Å; Y279-Y282 WeakPolarHBondContact O-CB 3.42Å; Y279-Y282 PolarHBondContact O-N 3.36Å; Y279-Y282 VanDerWaalsContact O-N 3.16Å; G280-Y282 VanDerWaalsContact C-N 3.35Å; Y282-N284 VanDerWaalsContact C-N 3.28Å; Y282-N284 PolarHBondContact O-N 3Å; Y282-L285 WeakPolarHBondContact O-CB 3.2Å; Y282-L285 PolarHBondContact O-N 2.92Å; Y282-L285 VanDerWaalsContact O-N 3.08Å; Y282-D286 PolarHBondContact O-N 3.45Å; Y282-G291 PolarHBondContact OH-O 3.36Å; Y282-M292 WeakPolarHBondContact OH-CA 3.22Å; Y282-L293 HydrophobicContact CD2-CD1 3.49Å; Y282-L293 VanDerWaalsContact CD2-CD1 3.49Å; Y282-L293 HydrophobicContact CD2-CG 3.94Å; Y282-L293 HydrophobicContact CE2-CD1 3.48Å; Y282-L293 VanDerWaalsContact CE2-CD1 3.48Å; Y282-L293 HydrophobicContact CE2-CD2 4.37Å; Y282-L293 HydrophobicContact CE2-CG 3.52Å; Y282-Y327 AromaticContact CD1-CD2 3.95Å; Y282-Y327 HydrophobicContact CD1-CD2 3.95Å; Y282-Y327 AromaticContact CD2-CD2 3.7Å; Y282-Y327 HydrophobicContact CD2-CD2 3.7Å; Y282-Y327 HydrophobicContact CD2-CE2 4.48Å; Y282-Y327 HydrophobicContact CE1-CD2 4.32Å; Y282-Y327 HydrophobicContact CE2-CD2 4.06Å; Y282-Y327 AromaticContact CG-CD2 3.62Å; Y282-Y327 HydrophobicContact CG-CD2 3.62Å; Y282-Y327 HydrophobicContact CG-CE2 4.17Å; Y282-Y327 PolarHBondContact OH-N 2.98Å; Y282-Y330 AromaticContact CD2-CD1 3.55Å; Y282-Y330 HydrophobicContact CD2-CD1 3.55Å; Y282-Y330 HydrophobicContact CD2-CD2 4.12Å; Y282-Y330 HydrophobicContact CD2-CE1 4.05Å; Y282-Y330 AromaticContact CD2-CG 3.58Å; Y282-Y330 HydrophobicContact CD2-CG 3.58Å; Y282-Y330 HydrophobicContact CE2-CD1 4.39Å; Y282-Y330 HydrophobicContact CE2-CG 4.11Å; Y282-Y330 HydrophobicContact CG-CD1 4.26Å; Y282-Y330 HydrophobicContact CG-CE1 4.45Å
283L94.1Very high93.9Very high68 Ų6854.1 Ų54.136%0.35628%0.282SS..Hα-helixtrans-64.2-30.5178.9-66.7178.9000113.5Y279 G280 L285Y279-L283 HydrophobicContact CD1-CD1 3.91Å; Y279-L283 HydrophobicContact CD1-CG 4.33Å; Y279-L283 HydrophobicContact CE1-CD1 3.46Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.46Å; Y279-L283 HydrophobicContact CE1-CD2 4.4Å; Y279-L283 HydrophobicContact CE1-CG 3.98Å; Y279-L283 PolarHBondContact O-N 2.87Å; G280-L283 PolarHBondContact O-N 2.87Å; L283-L285 VanDerWaalsContact C-N 3.29Å
284N94.6Very high94Very high129 Ų12952.2 Ų52.269%0.6927%0.27SS*.Hα-helixtrans-72.3-25.8176-73.5-26.5000112.6G280 Q281 Y282G280-N284 WeakPolarHBondContact O-CB 3.31Å; G280-N284 PolarHBondContact O-N 3.1Å; G280-N284 PolarHBondContact O-ND2 3.34Å; G280-N284 VanDerWaalsContact O-ND2 3.16Å; Q281-N284 PolarHBondContact O-N 3.06Å; Y282-N284 VanDerWaalsContact C-N 3.28Å; Y282-N284 PolarHBondContact O-N 3Å
285L94.8Very high94.1Very high16 Ų1654 Ų548%0.08428%0.277CS..Hα-helixtrans-80.1-43176.1-66.5168.3000110.9Q281 Y282 L283 K287 L293 E297 R300 Y301 Y330Q281-L285 VanDerWaalsContact O-CG 3.31Å; Q281-L285 WeakPolarHBondContact O-CG 3.44Å; Q281-L285 PolarHBondContact O-N 3.18Å; Y282-L285 WeakPolarHBondContact O-CB 3.2Å; Y282-L285 PolarHBondContact O-N 2.92Å; Y282-L285 VanDerWaalsContact O-N 3.08Å; L283-L285 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 2.84Å; L285-L293 HydrophobicContact CB-CD1 4.3Å; L285-L293 HydrophobicContact CB-CD2 3.61Å; L285-L293 HydrophobicContact CD1-CD1 4.23Å; L285-E297 WeakPolarHBondContact CD2-O 3.38Å; L285-E297 WeakPolarHBondContact O-CB 3.46Å; L285-E297 VanDerWaalsContact O-CG 3.23Å; L285-E297 WeakPolarHBondContact O-CG 3.27Å; L285-R300 HydrophobicContact CD2-CB 3.94Å; L285-Y301 HydrophobicContact CD1-CD2 4.11Å; L285-Y330 HydrophobicContact CD1-CE2 3.92Å
286D94.8Very high94Very high4 Ų460 Ų602%0.02131%0.305CS..  trans-69.291.6176.9178.35.2000110.8Y282 H289 N290 G291 L293Y282-D286 PolarHBondContact O-N 3.45Å; D286-H289 PolarHBondContact O-CE1 2.79Å; D286-H289 PolarHBondContact O-ND1 3.06Å; D286-H289 WeakPolarHBondContact OD1-CA 3.36Å; D286-H289 PolarHBondContact OD1-N 3.34Å; D286-H289 WeakPolarHBondContact OD2-CA 3.33Å; D286-N290 PolarHBondContact OD1-N 2.69Å; D286-G291 VanDerWaalsContact OD2-CA 3.31Å; D286-G291 WeakPolarHBondContact OD2-CA 3.19Å; D286-G291 PolarHBondContact OD2-N 3.03Å; D286-L293 HydrophobicContact CB-CD2 3.76Å
287K93Very high94.1Very high130 Ų13056.6 Ų56.657%0.56529%0.287SS*.SBendtrans-86.9-26.6-174.1-74.8-151.4177.2175.30113.3L285 H289 E297 R300L285-K287 PolarHBondContact O-N 2.84Å; K287-H289 VanDerWaalsContact C-N 3.3Å; K287-E297 PolarHBondContact N-OE1 3.42Å; K287-R300 VanDerWaalsContact CD-NH1 3.25Å
288D92.6Very high94.1Very high93 Ų9351.8 Ų51.850%0.49727%0.269SS..SBendtrans-87.9-7176.673.7-2.5000112.3N290D288-N290 PolarHBondContact O-N 2.89Å; D288-N290 VanDerWaalsContact OD1-CB 3.27Å; D288-N290 WeakPolarHBondContact OD1-CB 3.48Å; D288-N290 PolarHBondContact OD1-N 3.28Å; D288-N290 PolarHBondContact OD1-ND2 3.43Å; D288-N290 PolarHBondContact OD1-OD1 3.49Å; D288-N290 PolarHBondContact OD2-ND2 3.02Å
289H91.3Very high94Very high146 Ų14653.4 Ų53.468%0.67628%0.28SS*.  trans58.533.7178.2-57.7-46.4000112.2D286 K287 G291D286-H289 PolarHBondContact O-CE1 2.79Å; D286-H289 PolarHBondContact O-ND1 3.06Å; D286-H289 WeakPolarHBondContact OD1-CA 3.36Å; D286-H289 PolarHBondContact OD1-N 3.34Å; D286-H289 WeakPolarHBondContact OD2-CA 3.33Å; K287-H289 VanDerWaalsContact C-N 3.3Å; H289-G291 VanDerWaalsContact C-N 3.27Å
290N92Very high93.9Very high69 Ų6957 Ų5737%0.36929%0.294SS..SBendtrans-82.3-8.9178.278.617.1000112.5D286 D288 M292 E324D286-N290 PolarHBondContact OD1-N 2.69Å; D288-N290 PolarHBondContact O-N 2.89Å; D288-N290 VanDerWaalsContact OD1-CB 3.27Å; D288-N290 WeakPolarHBondContact OD1-CB 3.48Å; D288-N290 PolarHBondContact OD1-N 3.28Å; D288-N290 PolarHBondContact OD1-ND2 3.43Å; D288-N290 PolarHBondContact OD1-OD1 3.49Å; D288-N290 PolarHBondContact OD2-ND2 3.02Å; N290-M292 WeakPolarHBondContact OD1-CA 3.22Å; N290-M292 WeakPolarHBondContact OD1-CB 3.34Å; N290-M292 PolarHBondContact OD1-N 2.77Å; N290-M292 PolarHBondContact OD1-O 3.07Å; N290-E324 PolarHBondContact ND2-OE1 3.06Å; N290-E324 PolarHBondContact ND2-OE2 3.17Å
291G90.3Very high93.7Very high39 Ų3957.4 Ų57.440%0.40229%0.288SS..SBendtrans86.45.217800000114.4Y282 D286 H289Y282-G291 PolarHBondContact OH-O 3.36Å; D286-G291 VanDerWaalsContact OD2-CA 3.31Å; D286-G291 WeakPolarHBondContact OD2-CA 3.19Å; D286-G291 PolarHBondContact OD2-N 3.03Å; H289-G291 VanDerWaalsContact C-N 3.27Å
292M95.1Very high93.3Very high55 Ų5557.6 Ų57.627%0.27131%0.307SS..SBendtrans-126.9168.9176-58.1-67.3-176.100109.7Y282 N290 Y321 E324 M325 D326Y282-M292 WeakPolarHBondContact OH-CA 3.22Å; N290-M292 WeakPolarHBondContact OD1-CA 3.22Å; N290-M292 WeakPolarHBondContact OD1-CB 3.34Å; N290-M292 PolarHBondContact OD1-N 2.77Å; N290-M292 PolarHBondContact OD1-O 3.07Å; M292-Y321 HydrophobicContact CE-CD2 4.23Å; M292-E324 HydrophobicContact CB-CB 3.66Å; M292-E324 HydrophobicContact CG-CB 4.45Å; M292-M325 CarbonylContact C-O 3.42Å; M292-M325 WeakPolarHBondContact CA-O 3.44Å; M292-D326 HydrophobicContact CE-CB 4.11Å; M292-D326 WeakPolarHBondContact SD-CA 3.43Å; M292-D326 HydrophobicContact SD-CB 3.52Å; M292-D326 VanDerWaalsContact SD-CB 3.52Å
293L96.1Very high92.7Very high0 Ų061.6 Ų61.60%033%0.332CS..BIsolated β-bridgetrans-118.6122.1177.3-66.6-180000111.6Y282 L285 D286 E297 L298 F315 E324 M325 Y330Y282-L293 HydrophobicContact CD2-CD1 3.49Å; Y282-L293 VanDerWaalsContact CD2-CD1 3.49Å; Y282-L293 HydrophobicContact CD2-CG 3.94Å; Y282-L293 HydrophobicContact CE2-CD1 3.48Å; Y282-L293 VanDerWaalsContact CE2-CD1 3.48Å; Y282-L293 HydrophobicContact CE2-CD2 4.37Å; Y282-L293 HydrophobicContact CE2-CG 3.52Å; L285-L293 HydrophobicContact CB-CD1 4.3Å; L285-L293 HydrophobicContact CB-CD2 3.61Å; L285-L293 HydrophobicContact CD1-CD1 4.23Å; D286-L293 HydrophobicContact CB-CD2 3.76Å; L293-E297 HydrophobicContact CD2-CB 4.21Å; L293-L298 HydrophobicContact CD1-CD1 4.13Å; L293-F315 WeakPolarHBondContact O-CE1 3.39Å; L293-F315 WeakPolarHBondContact O-CZ 3.29Å; L293-E324 CarbonylContact O-C 3.54Å; L293-E324 WeakPolarHBondContact O-CA 3.47Å; L293-M325 HydrophobicContact CB-CB 4.36Å; L293-M325 PolarHBondContact N-O 3.41Å; L293-M325 PolarHBondContact O-N 2.94Å; L293-Y330 HydrophobicContact CD1-CD2 3.72Å; L293-Y330 HydrophobicContact CD1-CE2 4.23Å; L293-Y330 HydrophobicContact CD1-CG 4.25Å
294S95.8Very high92.3Very high21 Ų2161.2 Ų61.215%0.14734%0.338CS..  trans-71.6165.4165.663.70000111.9E296 E297 L298 F315S294-E296 VanDerWaalsContact C-N 3.28Å; S294-E296 PolarHBondContact O-N 3.45Å; S294-E297 WeakPolarHBondContact CB-OE2 3.45Å; S294-E297 PolarHBondContact N-OE2 3.33Å; S294-E297 PolarHBondContact O-N 3.01Å; S294-E297 WeakPolarHBondContact OG-CB 3.39Å; S294-E297 VanDerWaalsContact OG-CD 3.26Å; S294-E297 VanDerWaalsContact OG-CG 3.23Å; S294-E297 WeakPolarHBondContact OG-CG 3.49Å; S294-E297 PolarHBondContact OG-N 3.32Å; S294-E297 PolarHBondContact OG-OE2 3.02Å; S294-L298 PolarHBondContact O-N 3.12Å; S294-F315 VanDerWaalsContact C-CZ 3.48Å
295K95Very high91.8Very high42 Ų4256.1 Ų56.118%0.18331%0.312CS..Hα-helixtrans-60.3-41.2174.8-176.2-168.5173.5-169.60111.3E297 L298 S299 L311 D312 F315K295-E297 VanDerWaalsContact C-N 3.29Å; K295-E297 PolarHBondContact O-N 2.99Å; K295-L298 PolarHBondContact O-N 3.35Å; K295-S299 WeakPolarHBondContact O-CB 3.31Å; K295-S299 PolarHBondContact O-N 3.02Å; K295-L311 HydrophobicContact CG-CB 4.22Å; K295-D312 VanDerWaalsContact CE-OD1 3.3Å; K295-D312 WeakPolarHBondContact CE-OD1 3.5Å; K295-D312 IonicContact NZ-OD1 3.7Å; K295-D312 PolarHBondContact NZ-OD1 2.92Å; K295-D312 IonicContact NZ-OD2 2.88Å; K295-D312 PolarHBondContact NZ-OD2 3.16Å; K295-F315 VanDerWaalsContact CA-CZ 3.5Å; K295-F315 HydrophobicContact CB-CD2 4.09Å; K295-F315 HydrophobicContact CB-CE1 4.48Å; K295-F315 HydrophobicContact CB-CE2 3.93Å; K295-F315 HydrophobicContact CB-CG 4.44Å; K295-F315 HydrophobicContact CB-CZ 4.15Å; K295-F315 HydrophobicContact CG-CD2 4.19Å; K295-F315 HydrophobicContact CG-CE2 4.23Å
296E93.8Very high91.6Very high125 Ų12556.4 Ų56.458%0.58431%0.313SS*.Hα-helixtrans-63.1-36.9179.5-68.770.3-156.500111.5S294 S299S294-E296 VanDerWaalsContact C-N 3.28Å; S294-E296 PolarHBondContact O-N 3.45Å; E296-S299 PolarHBondContact O-OG 2.87Å
297E94.9Very high91.5Very high13 Ų1356.2 Ų56.26%0.06131%0.312CS..Hα-helixtrans-71.7-48.6175.4-72.4166.7142.100111.4L285 K287 L293 S294 K295 S299 R300L285-E297 WeakPolarHBondContact CD2-O 3.38Å; L285-E297 WeakPolarHBondContact O-CB 3.46Å; L285-E297 VanDerWaalsContact O-CG 3.23Å; L285-E297 WeakPolarHBondContact O-CG 3.27Å; K287-E297 PolarHBondContact N-OE1 3.42Å; L293-E297 HydrophobicContact CD2-CB 4.21Å; S294-E297 WeakPolarHBondContact CB-OE2 3.45Å; S294-E297 PolarHBondContact N-OE2 3.33Å; S294-E297 PolarHBondContact O-N 3.01Å; S294-E297 WeakPolarHBondContact OG-CB 3.39Å; S294-E297 VanDerWaalsContact OG-CD 3.26Å; S294-E297 VanDerWaalsContact OG-CG 3.23Å; S294-E297 WeakPolarHBondContact OG-CG 3.49Å; S294-E297 PolarHBondContact OG-N 3.32Å; S294-E297 PolarHBondContact OG-OE2 3.02Å; K295-E297 VanDerWaalsContact C-N 3.29Å; K295-E297 PolarHBondContact O-N 2.99Å; E297-S299 PolarHBondContact O-N 2.85Å; E297-R300 WeakPolarHBondContact O-CB 3.37Å; E297-R300 PolarHBondContact O-N 2.88Å
298L94.5Very high91.5Very high1 Ų154.6 Ų54.61%0.00531%0.31CS..Hα-helixtrans-62.1-27.7178.1-166.769.7000112.3L293 S294 K295 R300 Y301 L311 V314 F315 M325 Y330 F333L293-L298 HydrophobicContact CD1-CD1 4.13Å; S294-L298 PolarHBondContact O-N 3.12Å; K295-L298 PolarHBondContact O-N 3.35Å; L298-R300 PolarHBondContact O-N 3.48Å; L298-Y301 WeakPolarHBondContact O-CB 3.43Å; L298-Y301 PolarHBondContact O-N 3.33Å; L298-L311 HydrophobicContact CD2-CD2 4.14Å; L298-L311 HydrophobicContact CG-CD2 4.36Å; L298-V314 HydrophobicContact CD2-CG1 4.25Å; L298-F315 HydrophobicContact CB-CE2 4.11Å; L298-F315 HydrophobicContact CB-CZ 4.26Å; L298-F315 HydrophobicContact CD2-CE2 3.61Å; L298-F315 HydrophobicContact CD2-CZ 4.2Å; L298-M325 HydrophobicContact CD2-CE 4.17Å; L298-M325 HydrophobicContact CD2-SD 4.2Å; L298-Y330 HydrophobicContact CD1-CD2 3.98Å; L298-Y330 HydrophobicContact CD1-CE2 4.2Å; L298-F333 HydrophobicContact CD1-CD1 4.27Å; L298-F333 HydrophobicContact CD1-CE1 3.98Å; L298-F333 HydrophobicContact CD1-CZ 4.42Å; L298-F333 HydrophobicContact CD2-CE1 4.43Å; L298-F333 HydrophobicContact CD2-CE2 4.23Å; L298-F333 HydrophobicContact CD2-CZ 4.15Å; L298-F333 HydrophobicContact CG-CE1 4.39Å; L298-F333 HydrophobicContact CG-CZ 4.34Å
299S92.9Very high91.6Very high35 Ų3551.4 Ų51.425%0.24529%0.293CS..THydrogen-bonded Turntrans-58.7-20.9175.878.40000113.9K295 E296 E297 Y301 A304K295-S299 WeakPolarHBondContact O-CB 3.31Å; K295-S299 PolarHBondContact O-N 3.02Å; E296-S299 PolarHBondContact O-OG 2.87Å; E297-S299 PolarHBondContact O-N 2.85Å; S299-Y301 VanDerWaalsContact C-N 3.32Å; S299-A304 VanDerWaalsContact O-CA 3.31Å; S299-A304 WeakPolarHBondContact O-CA 3.43Å; S299-A304 WeakPolarHBondContact O-CB 3.46Å
300R92.1Very high91.7Very high120 Ų12044.4 Ų44.445%0.45326%0.261SS..THydrogen-bonded Turntrans-88.42177.1-57.5179.3-172.9139.24.6113.3L285 K287 E297 L298L285-R300 HydrophobicContact CD2-CB 3.94Å; K287-R300 VanDerWaalsContact CD-NH1 3.25Å; E297-R300 WeakPolarHBondContact O-CB 3.37Å; E297-R300 PolarHBondContact O-N 2.88Å; L298-R300 PolarHBondContact O-N 3.48Å
301Y91.4Very high91.9Very high32 Ų3241.1 Ų41.113%0.12524%0.244CC..SBendtrans-61.1138.6176179.7-95.6000111.3L285 L298 S299 T303 A304 M306 Y330 F333 V334 L337L285-Y301 HydrophobicContact CD1-CD2 4.11Å; L298-Y301 WeakPolarHBondContact O-CB 3.43Å; L298-Y301 PolarHBondContact O-N 3.33Å; S299-Y301 VanDerWaalsContact C-N 3.32Å; Y301-T303 PolarHBondContact O-N 3.39Å; Y301-A304 PolarHBondContact O-N 3.17Å; Y301-A304 VanDerWaalsContact O-N 3.1Å; Y301-M306 HydrophobicContact CD1-SD 4.15Å; Y301-Y330 HydrophobicContact CD2-CE2 4.07Å; Y301-Y330 HydrophobicContact CE2-CE2 4.19Å; Y301-F333 AromaticContact CD1-CE1 3.72Å; Y301-F333 HydrophobicContact CD1-CE1 3.72Å; Y301-F333 HydrophobicContact CD1-CZ 4.23Å; Y301-F333 HydrophobicContact CD2-CE1 4.29Å; Y301-F333 AromaticContact CE1-CE1 3.94Å; Y301-F333 HydrophobicContact CE1-CE1 3.94Å; Y301-F333 HydrophobicContact CE2-CE1 4.49Å; Y301-F333 AromaticContact CG-CE1 3.91Å; Y301-F333 HydrophobicContact CG-CE1 3.91Å; Y301-V334 HydrophobicContact CE2-CG2 3.91Å; Y301-L337 HydrophobicContact CD1-CD1 4.33Å; Y301-L337 HydrophobicContact CE1-CD1 3.87Å
302G85.6Confident92.1Very high67 Ų6742 Ų4269%0.69124%0.239SC*.THydrogen-bonded Turntrans60.3-123.1-17900000112.2A304G302-A304 VanDerWaalsContact C-N 3.31Å
303T82.3Confident92.1Very high88 Ų8840 Ų4054%0.5423%0.228SC..THydrogen-bonded Turntrans-86.82.9179.241.90000113.8Y301 T305Y301-T303 PolarHBondContact O-N 3.39Å; T303-T305 PolarHBondContact O-N 3.28Å; T303-T305 PolarHBondContact OG1-OG1 3.08Å
304A84.6Confident92.1Very high60 Ų6040 Ų4050%0.49623%0.228SC..SBendtrans56.528.5-174.500000114.1S299 Y301 G302S299-A304 VanDerWaalsContact O-CA 3.31Å; S299-A304 WeakPolarHBondContact O-CA 3.43Å; S299-A304 WeakPolarHBondContact O-CB 3.46Å; Y301-A304 PolarHBondContact O-N 3.17Å; Y301-A304 VanDerWaalsContact O-N 3.1Å; G302-A304 VanDerWaalsContact C-N 3.31Å
305T85.7Confident92Very high23 Ų2340.2 Ų40.214%0.14123%0.227CC..  trans-103.73-178.247.40000113.5T303 D426 L427 N428T303-T305 PolarHBondContact O-N 3.28Å; T303-T305 PolarHBondContact OG1-OG1 3.08Å; T305-D426 VanDerWaalsContact CB-OD1 3.26Å; T305-D426 WeakPolarHBondContact CB-OD1 2.98Å; T305-D426 PolarHBondContact OG1-OD1 3.12Å; T305-L427 PolarHBondContact O-N 2.77Å; T305-N428 HydrophobicContact CG2-CB 4.17Å; T305-N428 WeakPolarHBondContact OG1-CB 3.29Å
306M90.8Very high91.9Very high21 Ų2144 Ų4410%0.10325%0.245CC..BIsolated β-bridgetrans-69.7140.9176.6-71.9178.960.300111Y301 F310 L311 F333 L337 I425 D426Y301-M306 HydrophobicContact CD1-SD 4.15Å; M306-F310 HydrophobicContact CE-CD1 3.26Å; M306-F310 HydrophobicContact CE-CE1 3.23Å; M306-L311 HydrophobicContact CE-CD2 3.98Å; M306-F333 HydrophobicContact CE-CE2 3.79Å; M306-F333 HydrophobicContact CE-CZ 3.58Å; M306-F333 HydrophobicContact SD-CZ 3.93Å; M306-L337 HydrophobicContact CE-CD1 4.07Å; M306-L337 HydrophobicContact SD-CD1 3.99Å; M306-I425 WeakPolarHBondContact CA-O 3.44Å; M306-D426 HydrophobicContact CG-CB 4.39Å; M306-D426 PolarHBondContact N-OD1 3.5Å
307T92.5Very high91.8Very high0 Ų040.2 Ų40.20%023%0.227CC..  trans-70.1140.3-177.160.10000111.9V309 F310 L311 A372 I373 L376 I425T307-V309 PolarHBondContact O-N 3.45Å; T307-F310 PolarHBondContact O-N 3.3Å; T307-F310 VanDerWaalsContact O-N 3.1Å; T307-F310 VanDerWaalsContact OG1-CB 3.25Å; T307-F310 WeakPolarHBondContact OG1-CB 3.25Å; T307-F310 PolarHBondContact OG1-N 3.43Å; T307-L311 PolarHBondContact O-N 3.47Å; T307-A372 HydrophobicContact CG2-CB 3.82Å; T307-I373 HydrophobicContact CG2-CD1 3.3Å; T307-I373 HydrophobicContact CG2-CG1 3.81Å; T307-L376 HydrophobicContact CG2-CD1 3.93Å; T307-I425 PolarHBondContact N-O 3.32Å; T307-I425 PolarHBondContact OG1-O 2.6Å
308N92.2Very high91.6Very high97 Ų9740.7 Ų40.752%0.51923%0.232SC..Hα-helixtrans-56.8-35173.3-76.4-27.1000112.2L311 D312N308-L311 PolarHBondContact O-N 3.18Å; N308-D312 WeakPolarHBondContact O-CB 3.33Å; N308-D312 PolarHBondContact O-N 3.48Å
309V94.6Very high91.4Very high25 Ų2545.5 Ų45.515%0.15226%0.257CS..Hα-helixtrans-63.2-42.7177.4174.90000111.6T307 R313 Y368 F369 A372T307-V309 PolarHBondContact O-N 3.45Å; V309-R313 WeakPolarHBondContact O-CG 3.47Å; V309-R313 PolarHBondContact O-N 2.75Å; V309-Y368 HydrophobicContact CG1-CD1 3.73Å; V309-Y368 HydrophobicContact CG1-CE1 3.09Å; V309-F369 HydrophobicContact CG1-CD1 3.77Å; V309-F369 HydrophobicContact CG1-CE1 3.81Å; V309-A372 HydrophobicContact CB-CB 4.04Å; V309-A372 HydrophobicContact CG2-CB 3.64Å
310F94.7Very high91.3Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-66.9-43.9174.6178.5-102.8000111.8M306 T307 D312 R313 V314 F333 I349 L352 I425M306-F310 HydrophobicContact CE-CD1 3.26Å; M306-F310 HydrophobicContact CE-CE1 3.23Å; T307-F310 PolarHBondContact O-N 3.3Å; T307-F310 VanDerWaalsContact O-N 3.1Å; T307-F310 VanDerWaalsContact OG1-CB 3.25Å; T307-F310 WeakPolarHBondContact OG1-CB 3.25Å; T307-F310 PolarHBondContact OG1-N 3.43Å; F310-D312 VanDerWaalsContact C-N 3.31Å; F310-D312 PolarHBondContact O-N 3.25Å; F310-R313 WeakPolarHBondContact O-CB 3.21Å; F310-R313 PolarHBondContact O-N 3.17Å; F310-V314 HydrophobicContact CD1-CG2 4.09Å; F310-V314 HydrophobicContact CE1-CG2 3.7Å; F310-V314 HydrophobicContact CZ-CG2 4Å; F310-V314 WeakPolarHBondContact O-CG2 3.5Å; F310-V314 PolarHBondContact O-N 2.85Å; F310-F333 HydrophobicContact CE1-CE2 4.09Å; F310-I349 HydrophobicContact CE2-CG2 4.26Å; F310-L352 HydrophobicContact CD2-CB 4.48Å; F310-L352 HydrophobicContact CE1-CD1 4.45Å; F310-L352 HydrophobicContact CE2-CB 3.89Å; F310-L352 HydrophobicContact CE2-CD1 3.53Å; F310-L352 HydrophobicContact CE2-CG 4.36Å; F310-L352 HydrophobicContact CZ-CD1 3.46Å; F310-L352 VanDerWaalsContact CZ-CD1 3.46Å; F310-I425 HydrophobicContact CB-CB 4.25Å; F310-I425 HydrophobicContact CB-CG2 4.36Å; F310-I425 HydrophobicContact CD1-CB 4.15Å; F310-I425 HydrophobicContact CD1-CG2 4.45Å; F310-I425 HydrophobicContact CD2-CB 3.86Å; F310-I425 HydrophobicContact CD2-CG2 3.29Å; F310-I425 HydrophobicContact CE1-CB 4.47Å; F310-I425 HydrophobicContact CE2-CB 4.2Å; F310-I425 HydrophobicContact CE2-CG2 3.54Å; F310-I425 HydrophobicContact CG-CB 3.8Å; F310-I425 HydrophobicContact CG-CG2 3.78Å; F310-I425 HydrophobicContact CZ-CB 4.48Å; F310-I425 HydrophobicContact CZ-CD1 4.29Å; F310-I425 HydrophobicContact CZ-CG2 4.22Å
311L94.9Very high91.2Very high0 Ų045.8 Ų45.80%026%0.259CS..Hα-helixtrans-61.5-38.9176.9-65.9172.6000111.9K295 L298 M306 T307 N308 R313 V314 F315K295-L311 HydrophobicContact CG-CB 4.22Å; L298-L311 HydrophobicContact CD2-CD2 4.14Å; L298-L311 HydrophobicContact CG-CD2 4.36Å; M306-L311 HydrophobicContact CE-CD2 3.98Å; T307-L311 PolarHBondContact O-N 3.47Å; N308-L311 PolarHBondContact O-N 3.18Å; L311-R313 VanDerWaalsContact C-N 3.28Å; L311-R313 PolarHBondContact O-N 2.97Å; L311-V314 WeakPolarHBondContact O-CB 3.28Å; L311-V314 PolarHBondContact O-N 2.97Å; L311-V314 VanDerWaalsContact O-N 3.17Å; L311-F315 WeakPolarHBondContact O-CD2 3.13Å; L311-F315 PolarHBondContact O-N 2.73Å; L311-F315 VanDerWaalsContact O-N 3.1Å
312D94.8Very high91.1Very high57 Ų5752.8 Ų52.831%0.30530%0.298SS..Hα-helixtrans-57-43.4172.2-80.8-45.5000111.6K295 N308 F310 F315 Q316K295-D312 VanDerWaalsContact CE-OD1 3.3Å; K295-D312 WeakPolarHBondContact CE-OD1 3.5Å; K295-D312 IonicContact NZ-OD1 3.7Å; K295-D312 PolarHBondContact NZ-OD1 2.92Å; K295-D312 IonicContact NZ-OD2 2.88Å; K295-D312 PolarHBondContact NZ-OD2 3.16Å; N308-D312 WeakPolarHBondContact O-CB 3.33Å; N308-D312 PolarHBondContact O-N 3.48Å; F310-D312 VanDerWaalsContact C-N 3.31Å; F310-D312 PolarHBondContact O-N 3.25Å; D312-F315 PolarHBondContact O-N 2.96Å; D312-Q316 WeakPolarHBondContact O-CB 3.3Å; D312-Q316 WeakPolarHBondContact O-CG 3.47Å; D312-Q316 PolarHBondContact O-N 3.04Å
313R94.9Very high91.4Very high12 Ų1251.6 Ų51.65%0.04529%0.287CS..Hα-helixtrans-66.1-37.8176.8-66.1-63.5-61.3141.70.9112.4V309 F310 L311 F315 Q316 E317 L352 F369V309-R313 WeakPolarHBondContact O-CG 3.47Å; V309-R313 PolarHBondContact O-N 2.75Å; F310-R313 WeakPolarHBondContact O-CB 3.21Å; F310-R313 PolarHBondContact O-N 3.17Å; L311-R313 VanDerWaalsContact C-N 3.28Å; L311-R313 PolarHBondContact O-N 2.97Å; R313-F315 PolarHBondContact O-N 3.23Å; R313-Q316 PolarHBondContact O-N 3.48Å; R313-E317 IonicContact CZ-OE1 2.91Å; R313-E317 IonicContact NH1-OE1 3.95Å; R313-E317 PolarHBondContact NH1-OE1 3.23Å; R313-E317 VanDerWaalsContact NH2-CG 3.33Å; R313-E317 IonicContact NH2-OE1 3.71Å; R313-E317 PolarHBondContact NH2-OE1 2.77Å; R313-E317 WeakPolarHBondContact O-CB 3.45Å; R313-E317 PolarHBondContact O-N 2.9Å; R313-L352 HydrophobicContact CB-CB 4.34Å; R313-L352 PolarHBondContact NE-O 2.97Å; R313-F369 HydrophobicContact CG-CE1 4.1Å; R313-F369 HydrophobicContact CG-CZ 4Å
314V95.3Very high91.9Very high0 Ų049.7 Ų49.70%027%0.271CS..Hα-helixtrans-56.7-51174.3173.40000110.3L298 F310 L311 Q316 E317 C318 M325 F333 L352L298-V314 HydrophobicContact CD2-CG1 4.25Å; F310-V314 HydrophobicContact CD1-CG2 4.09Å; F310-V314 HydrophobicContact CE1-CG2 3.7Å; F310-V314 HydrophobicContact CZ-CG2 4Å; F310-V314 WeakPolarHBondContact O-CG2 3.5Å; F310-V314 PolarHBondContact O-N 2.85Å; L311-V314 WeakPolarHBondContact O-CB 3.28Å; L311-V314 PolarHBondContact O-N 2.97Å; L311-V314 VanDerWaalsContact O-N 3.17Å; V314-Q316 VanDerWaalsContact C-N 3.3Å; V314-Q316 PolarHBondContact O-N 3.32Å; V314-E317 PolarHBondContact O-N 3.05Å; V314-C318 WeakPolarHBondContact O-CB 3.49Å; V314-C318 PolarHBondContact O-N 3.38Å; V314-C318 PolarHBondContact O-SG 3.32Å; V314-M325 HydrophobicContact CG1-CE 3.62Å; V314-F333 HydrophobicContact CG1-CD2 4.14Å; V314-F333 HydrophobicContact CG1-CE2 4.48Å; V314-F333 HydrophobicContact CG2-CD2 4.17Å; V314-F333 HydrophobicContact CG2-CE2 4.03Å; V314-L352 HydrophobicContact CG2-CD1 3.73Å
315F95.1Very high92.5Very high26 Ų2646.9 Ų46.911%0.11425%0.248CC..Hα-helixtrans-74-18.4-178.8-79.7-99.6000113.8L293 S294 K295 L298 L311 D312 R313 T320 G323 M325L293-F315 WeakPolarHBondContact O-CE1 3.39Å; L293-F315 WeakPolarHBondContact O-CZ 3.29Å; S294-F315 VanDerWaalsContact C-CZ 3.48Å; K295-F315 VanDerWaalsContact CA-CZ 3.5Å; K295-F315 HydrophobicContact CB-CD2 4.09Å; K295-F315 HydrophobicContact CB-CE1 4.48Å; K295-F315 HydrophobicContact CB-CE2 3.93Å; K295-F315 HydrophobicContact CB-CG 4.44Å; K295-F315 HydrophobicContact CB-CZ 4.15Å; K295-F315 HydrophobicContact CG-CD2 4.19Å; K295-F315 HydrophobicContact CG-CE2 4.23Å; L298-F315 HydrophobicContact CB-CE2 4.11Å; L298-F315 HydrophobicContact CB-CZ 4.26Å; L298-F315 HydrophobicContact CD2-CE2 3.61Å; L298-F315 HydrophobicContact CD2-CZ 4.2Å; L311-F315 WeakPolarHBondContact O-CD2 3.13Å; L311-F315 PolarHBondContact O-N 2.73Å; L311-F315 VanDerWaalsContact O-N 3.1Å; D312-F315 PolarHBondContact O-N 2.96Å; R313-F315 PolarHBondContact O-N 3.23Å; F315-T320 HydrophobicContact CB-CG2 4.38Å; F315-T320 HydrophobicContact CD1-CG2 3.79Å; F315-T320 HydrophobicContact CG-CG2 4.4Å; F315-T320 WeakPolarHBondContact O-CG2 3.37Å; F315-G323 WeakPolarHBondContact CD1-O 3.28Å; F315-G323 VanDerWaalsContact CE1-O 3.26Å; F315-G323 WeakPolarHBondContact CE1-O 3.36Å; F315-M325 HydrophobicContact CE1-CB 4.04Å; F315-M325 HydrophobicContact CZ-CB 4.15Å
316Q92.8Very high92.9Very high122 Ų12247 Ų4757%0.5725%0.248SC*.Hα-helixtrans-81.9-36173.6-74166.416.800113.3D312 R313 V314D312-Q316 WeakPolarHBondContact O-CB 3.3Å; D312-Q316 WeakPolarHBondContact O-CG 3.47Å; D312-Q316 PolarHBondContact O-N 3.04Å; R313-Q316 PolarHBondContact O-N 3.48Å; V314-Q316 VanDerWaalsContact C-N 3.3Å; V314-Q316 PolarHBondContact O-N 3.32Å
317E91.8Very high93.1Very high45 Ų4546.8 Ų46.821%0.2125%0.246CC..Hα-helixtrans-99.5-23.5-172.1-71.8-63.2151.900114.2R313 V314 K351 L352R313-E317 IonicContact CZ-OE1 2.91Å; R313-E317 IonicContact NH1-OE1 3.95Å; R313-E317 PolarHBondContact NH1-OE1 3.23Å; R313-E317 VanDerWaalsContact NH2-CG 3.33Å; R313-E317 IonicContact NH2-OE1 3.71Å; R313-E317 PolarHBondContact NH2-OE1 2.77Å; R313-E317 WeakPolarHBondContact O-CB 3.45Å; R313-E317 PolarHBondContact O-N 2.9Å; V314-E317 PolarHBondContact O-N 3.05Å; E317-K351 PolarHBondContact O-NZ 3.16Å; E317-K351 WeakPolarHBondContact OE2-CE 3.39Å; E317-K351 IonicContact OE2-NZ 2.76Å; E317-K351 PolarHBondContact OE2-NZ 2.99Å; E317-K351 VanDerWaalsContact OE2-NZ 3.16Å; E317-L352 HydrophobicContact CB-CD2 3.64Å; E317-L352 HydrophobicContact CG-CD2 4.1Å
318C90.9Very high93.2Very high23 Ų2350 Ų5016%0.15526%0.26CS..SBendtrans-87.7164.9177.8-65.60000111.6V314 T320 T329 Y348V314-C318 WeakPolarHBondContact O-CB 3.49Å; V314-C318 PolarHBondContact O-N 3.38Å; V314-C318 PolarHBondContact O-SG 3.32Å; C318-T320 PolarHBondContact O-N 3.43Å; C318-T329 HydrophobicContact CB-CG2 3.58Å; C318-Y348 PolarHBondContact SG-OH 3.33Å
319L88.9Confident93.3Very high102 Ų10246 Ų4653%0.53424%0.239SC..  trans-71.9122174.1-174.166.4000109Y321L319-Y321 HydrophobicContact CD2-CE2 4.3Å; L319-Y321 WeakPolarHBondContact CD2-OH 3.5Å; L319-Y321 HydrophobicContact CG-CE2 4.32Å
320T91.8Very high93.4Very high46 Ų4644.8 Ų44.828%0.28223%0.232SC..  trans-131145.6177.862.90000110.2F315 C318 E324F315-T320 HydrophobicContact CB-CG2 4.38Å; F315-T320 HydrophobicContact CD1-CG2 3.79Å; F315-T320 HydrophobicContact CG-CG2 4.4Å; F315-T320 WeakPolarHBondContact O-CG2 3.37Å; C318-T320 PolarHBondContact O-N 3.43Å; T320-E324 CarbonylContact C-O 3.59Å; T320-E324 WeakPolarHBondContact CA-O 3.37Å; T320-E324 WeakPolarHBondContact CB-O 3.39Å
321Y90.9Very high93.5Very high116 Ų11644.8 Ų44.846%0.45523%0.232SC..BIsolated β-bridgetrans-110.4114.2174.9-58.4-83.4000108M292 L319 G323 E324 D326M292-Y321 HydrophobicContact CE-CD2 4.23Å; L319-Y321 HydrophobicContact CD2-CE2 4.3Å; L319-Y321 WeakPolarHBondContact CD2-OH 3.5Å; L319-Y321 HydrophobicContact CG-CE2 4.32Å; Y321-G323 PolarHBondContact O-N 2.7Å; Y321-G323 VanDerWaalsContact O-N 3.07Å; Y321-E324 PolarHBondContact N-O 3.42Å; Y321-E324 PolarHBondContact O-N 2.88Å; Y321-D326 HydrophobicContact CE2-CB 4.24Å
322D89.1Confident93.6Very high178 Ų17845.1 Ų45.195%0.95223%0.233SC*.THydrogen-bonded Turntrans52.231.6-176.8-62.7-35.6000114.7
323G90.7Very high93.6Very high43 Ų4342.4 Ų42.444%0.44322%0.219SC..THydrogen-bonded Turntrans88.86.2-178.900000114.6F315 Y321F315-G323 WeakPolarHBondContact CD1-O 3.28Å; F315-G323 VanDerWaalsContact CE1-O 3.26Å; F315-G323 WeakPolarHBondContact CE1-O 3.36Å; Y321-G323 PolarHBondContact O-N 2.7Å; Y321-G323 VanDerWaalsContact O-N 3.07Å
324E94.1Very high93.6Very high48 Ų4841.8 Ų41.822%0.22422%0.217CC..BIsolated β-bridgetrans-115150.6179.4-54.3-173.7136.300112.4N290 M292 L293 T320 Y321N290-E324 PolarHBondContact ND2-OE1 3.06Å; N290-E324 PolarHBondContact ND2-OE2 3.17Å; M292-E324 HydrophobicContact CB-CB 3.66Å; M292-E324 HydrophobicContact CG-CB 4.45Å; L293-E324 CarbonylContact O-C 3.54Å; L293-E324 WeakPolarHBondContact O-CA 3.47Å; T320-E324 CarbonylContact C-O 3.59Å; T320-E324 WeakPolarHBondContact CA-O 3.37Å; T320-E324 WeakPolarHBondContact CB-O 3.39Å; Y321-E324 PolarHBondContact N-O 3.42Å; Y321-E324 PolarHBondContact O-N 2.88Å
325M95.6Very high93.7Very high0 Ų041.8 Ų41.80%022%0.217CC..BIsolated β-bridgetrans-100.3134.7-175.7159.2173.8-57.100111.1M292 L293 L298 V314 F315 T329 Y330M292-M325 CarbonylContact C-O 3.42Å; M292-M325 WeakPolarHBondContact CA-O 3.44Å; L293-M325 HydrophobicContact CB-CB 4.36Å; L293-M325 PolarHBondContact N-O 3.41Å; L293-M325 PolarHBondContact O-N 2.94Å; L298-M325 HydrophobicContact CD2-CE 4.17Å; L298-M325 HydrophobicContact CD2-SD 4.2Å; V314-M325 HydrophobicContact CG1-CE 3.62Å; F315-M325 HydrophobicContact CE1-CB 4.04Å; F315-M325 HydrophobicContact CZ-CB 4.15Å; M325-T329 HydrophobicContact CE-CG2 3.66Å; M325-T329 HydrophobicContact CG-CG2 4.07Å; M325-T329 HydrophobicContact SD-CG2 4.22Å; M325-Y330 VanDerWaalsContact SD-CA 3.54Å
326D95.2Very high93.7Very high27 Ų2740.6 Ų40.614%0.14421%0.211CC..  trans-82.4164.6173.271.8-7.1000113.2M292 Y321 K328 T329 Y330M292-D326 HydrophobicContact CE-CB 4.11Å; M292-D326 WeakPolarHBondContact SD-CA 3.43Å; M292-D326 HydrophobicContact SD-CB 3.52Å; M292-D326 VanDerWaalsContact SD-CB 3.52Å; Y321-D326 HydrophobicContact CE2-CB 4.24Å; D326-K328 PolarHBondContact O-N 2.65Å; D326-T329 PolarHBondContact O-N 3.31Å; D326-T329 VanDerWaalsContact O-N 3.12Å; D326-T329 WeakPolarHBondContact OD1-CB 3.23Å; D326-T329 PolarHBondContact OD1-N 3.13Å; D326-T329 PolarHBondContact OD1-OG1 2.85Å; D326-Y330 PolarHBondContact O-N 3.11Å
327Y95Very high93.7Very high16 Ų1635.2 Ų35.26%0.06319%0.187CC..Hα-helixtrans-55.4-36.2178.9-178.9-120.4000112.8F217 T221 Y279 Y282 Y330 L331F217-Y327 HydrophobicContact CB-CE1 4.32Å; F217-Y327 AromaticContact CD1-CD1 3.87Å; F217-Y327 HydrophobicContact CD1-CD1 3.87Å; F217-Y327 HydrophobicContact CD1-CE1 4.04Å; T221-Y327 PolarHBondContact OG1-OH 3.15Å; Y279-Y327 HydrophobicContact CD2-CD2 4.28Å; Y279-Y327 HydrophobicContact CD2-CE1 4.28Å; Y279-Y327 AromaticContact CD2-CE2 3.78Å; Y279-Y327 HydrophobicContact CD2-CE2 3.78Å; Y279-Y327 AromaticContact CD2-CZ 3.76Å; Y282-Y327 AromaticContact CD1-CD2 3.95Å; Y282-Y327 HydrophobicContact CD1-CD2 3.95Å; Y282-Y327 AromaticContact CD2-CD2 3.7Å; Y282-Y327 HydrophobicContact CD2-CD2 3.7Å; Y282-Y327 HydrophobicContact CD2-CE2 4.48Å; Y282-Y327 HydrophobicContact CE1-CD2 4.32Å; Y282-Y327 HydrophobicContact CE2-CD2 4.06Å; Y282-Y327 AromaticContact CG-CD2 3.62Å; Y282-Y327 HydrophobicContact CG-CD2 3.62Å; Y282-Y327 HydrophobicContact CG-CE2 4.17Å; Y282-Y327 PolarHBondContact OH-N 2.98Å; Y327-Y330 HydrophobicContact CD2-CD1 4Å; Y327-Y330 HydrophobicContact CE2-CD1 4.07Å; Y327-Y330 HydrophobicContact CE2-CE1 4.43Å; Y327-Y330 WeakPolarHBondContact O-CB 3.4Å; Y327-Y330 PolarHBondContact O-N 3.17Å; Y327-L331 HydrophobicContact CD1-CD1 4.02Å; Y327-L331 HydrophobicContact CD1-CG 4.47Å; Y327-L331 HydrophobicContact CE1-CD1 3.66Å; Y327-L331 HydrophobicContact CE1-CD2 4.41Å; Y327-L331 HydrophobicContact CE1-CG 4.13Å; Y327-L331 HydrophobicContact CE2-CD2 4.17Å; Y327-L331 HydrophobicContact CE2-CG 4.19Å; Y327-L331 WeakPolarHBondContact O-CG 3.46Å; Y327-L331 PolarHBondContact O-N 3.25Å
328K94.4Very high93.7Very high67 Ų6736.6 Ų36.629%0.29119%0.193SC..Hα-helixtrans-65.7-42.8179.5-174176.7-179.3170.20112.1E190 D326 L331 D332E190-K328 WeakPolarHBondContact OE1-CE 3.29Å; E190-K328 IonicContact OE1-NZ 3.04Å; E190-K328 PolarHBondContact OE1-NZ 3.36Å; E190-K328 IonicContact OE2-NZ 2.74Å; E190-K328 PolarHBondContact OE2-NZ 2.95Å; D326-K328 PolarHBondContact O-N 2.65Å; K328-L331 PolarHBondContact O-N 3.17Å; K328-D332 PolarHBondContact O-N 3.18Å
329T95Very high93.9Very high12 Ų1237.6 Ų37.67%0.07420%0.197CC..Hα-helixtrans-71.5-34.2176.2-57.40000111C318 M325 D326 L331 D332 F333C318-T329 HydrophobicContact CB-CG2 3.58Å; M325-T329 HydrophobicContact CE-CG2 3.66Å; M325-T329 HydrophobicContact CG-CG2 4.07Å; M325-T329 HydrophobicContact SD-CG2 4.22Å; D326-T329 PolarHBondContact O-N 3.31Å; D326-T329 VanDerWaalsContact O-N 3.12Å; D326-T329 WeakPolarHBondContact OD1-CB 3.23Å; D326-T329 PolarHBondContact OD1-N 3.13Å; D326-T329 PolarHBondContact OD1-OG1 2.85Å; T329-L331 VanDerWaalsContact C-N 3.34Å; T329-L331 PolarHBondContact O-N 3.18Å; T329-D332 WeakPolarHBondContact O-CB 3.39Å; T329-D332 PolarHBondContact O-N 3.1Å; T329-F333 PolarHBondContact O-N 3.49Å; T329-F333 VanDerWaalsContact O-N 3.14Å
330Y96.4Very high94Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-60.6-41.8170.5170.2-100.3000112.3V278 Q281 Y282 L285 L293 L298 Y301 M325 D326 Y327 D332 F333 V334V278-Y330 HydrophobicContact CG1-CE1 4.05Å; Q281-Y330 WeakPolarHBondContact CB-OH 3.41Å; Y282-Y330 AromaticContact CD2-CD1 3.55Å; Y282-Y330 HydrophobicContact CD2-CD1 3.55Å; Y282-Y330 HydrophobicContact CD2-CD2 4.12Å; Y282-Y330 HydrophobicContact CD2-CE1 4.05Å; Y282-Y330 AromaticContact CD2-CG 3.58Å; Y282-Y330 HydrophobicContact CD2-CG 3.58Å; Y282-Y330 HydrophobicContact CE2-CD1 4.39Å; Y282-Y330 HydrophobicContact CE2-CG 4.11Å; Y282-Y330 HydrophobicContact CG-CD1 4.26Å; Y282-Y330 HydrophobicContact CG-CE1 4.45Å; L285-Y330 HydrophobicContact CD1-CE2 3.92Å; L293-Y330 HydrophobicContact CD1-CD2 3.72Å; L293-Y330 HydrophobicContact CD1-CE2 4.23Å; L293-Y330 HydrophobicContact CD1-CG 4.25Å; L298-Y330 HydrophobicContact CD1-CD2 3.98Å; L298-Y330 HydrophobicContact CD1-CE2 4.2Å; Y301-Y330 HydrophobicContact CD2-CE2 4.07Å; Y301-Y330 HydrophobicContact CE2-CE2 4.19Å; M325-Y330 VanDerWaalsContact SD-CA 3.54Å; D326-Y330 PolarHBondContact O-N 3.11Å; Y327-Y330 HydrophobicContact CD2-CD1 4Å; Y327-Y330 HydrophobicContact CE2-CD1 4.07Å; Y327-Y330 HydrophobicContact CE2-CE1 4.43Å; Y327-Y330 WeakPolarHBondContact O-CB 3.4Å; Y327-Y330 PolarHBondContact O-N 3.17Å; Y330-D332 VanDerWaalsContact C-N 3.33Å; Y330-D332 PolarHBondContact O-N 2.92Å; Y330-F333 WeakPolarHBondContact O-CB 3.28Å; Y330-F333 PolarHBondContact O-N 3.46Å; Y330-F333 VanDerWaalsContact O-N 3.12Å; Y330-V334 HydrophobicContact CD1-CG2 4.12Å; Y330-V334 HydrophobicContact CD2-CG2 4.18Å; Y330-V334 HydrophobicContact CE1-CG2 3.62Å; Y330-V334 HydrophobicContact CE2-CG2 3.68Å; Y330-V334 HydrophobicContact CG-CG2 4.39Å; Y330-V334 WeakPolarHBondContact O-CG2 3.47Å; Y330-V334 PolarHBondContact O-N 3.37Å
331L96.4Very high94Very high0 Ų041.1 Ų41.10%020%0.202CC..Hα-helixtrans-60.9-40.6175.7-72.4169.8000112.3T221 R224 W269 V278 Y327 K328 T329 F333 V334 L335T221-L331 HydrophobicContact CG2-CD2 4.15Å; R224-L331 HydrophobicContact CB-CB 4.34Å; R224-L331 HydrophobicContact CB-CD1 4.13Å; R224-L331 HydrophobicContact CG-CB 3.89Å; R224-L331 HydrophobicContact CG-CD1 4.43Å; W269-L331 HydrophobicContact CZ2-CD2 4.34Å; V278-L331 HydrophobicContact CG1-CD2 3.66Å; Y327-L331 HydrophobicContact CD1-CD1 4.02Å; Y327-L331 HydrophobicContact CD1-CG 4.47Å; Y327-L331 HydrophobicContact CE1-CD1 3.66Å; Y327-L331 HydrophobicContact CE1-CD2 4.41Å; Y327-L331 HydrophobicContact CE1-CG 4.13Å; Y327-L331 HydrophobicContact CE2-CD2 4.17Å; Y327-L331 HydrophobicContact CE2-CG 4.19Å; Y327-L331 WeakPolarHBondContact O-CG 3.46Å; Y327-L331 PolarHBondContact O-N 3.25Å; K328-L331 PolarHBondContact O-N 3.17Å; T329-L331 VanDerWaalsContact C-N 3.34Å; T329-L331 PolarHBondContact O-N 3.18Å; L331-F333 VanDerWaalsContact C-N 3.28Å; L331-F333 PolarHBondContact O-N 3.48Å; L331-V334 PolarHBondContact O-N 3.46Å; L331-L335 VanDerWaalsContact O-CB 3.29Å; L331-L335 WeakPolarHBondContact O-CB 3.4Å; L331-L335 WeakPolarHBondContact O-CG 3.24Å; L331-L335 PolarHBondContact O-N 3.47Å
332D95.6Very high94.2Very high7 Ų740.2 Ų40.24%0.03720%0.202CC..Hα-helixtrans-57.4-44.4172.8-91.5-6.2000112.1R224 F228 R234 K328 T329 Y330 A336 Y348R224-D332 IonicContact CZ-OD1 2.9Å; R224-D332 IonicContact CZ-OD2 3.29Å; R224-D332 IonicContact NE-OD1 2.98Å; R224-D332 PolarHBondContact NE-OD1 3.02Å; R224-D332 IonicContact NE-OD2 3.07Å; R224-D332 IonicContact NH2-OD1 3.72Å; R224-D332 PolarHBondContact NH2-OD1 3.11Å; R224-D332 IonicContact NH2-OD2 2.75Å; R224-D332 PolarHBondContact NH2-OD2 2.94Å; F228-D332 HydrophobicContact CD2-CB 4.39Å; F228-D332 VanDerWaalsContact CD2-OD1 3.31Å; F228-D332 WeakPolarHBondContact CD2-OD1 3.5Å; F228-D332 HydrophobicContact CE2-CB 4.44Å; F228-D332 WeakPolarHBondContact CE2-O 3.44Å; R234-D332 IonicContact CZ-OD2 2.75Å; R234-D332 VanDerWaalsContact CZ-OD2 3.29Å; R234-D332 IonicContact NH1-OD2 3.3Å; R234-D332 PolarHBondContact NH1-OD2 3.48Å; R234-D332 IonicContact NH2-OD2 3.45Å; R234-D332 PolarHBondContact NH2-OD2 2.97Å; K328-D332 PolarHBondContact O-N 3.18Å; T329-D332 WeakPolarHBondContact O-CB 3.39Å; T329-D332 PolarHBondContact O-N 3.1Å; Y330-D332 VanDerWaalsContact C-N 3.33Å; Y330-D332 PolarHBondContact O-N 2.92Å; D332-A336 WeakPolarHBondContact O-CB 3.49Å; D332-A336 PolarHBondContact O-N 2.84Å; D332-Y348 HydrophobicContact CB-CE2 4.22Å
333F95.7Very high94.4Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-63.8-47.8179171.7-93000111.6L298 Y301 M306 F310 V314 T329 Y330 L331 A336 L337L298-F333 HydrophobicContact CD1-CD1 4.27Å; L298-F333 HydrophobicContact CD1-CE1 3.98Å; L298-F333 HydrophobicContact CD1-CZ 4.42Å; L298-F333 HydrophobicContact CD2-CE1 4.43Å; L298-F333 HydrophobicContact CD2-CE2 4.23Å; L298-F333 HydrophobicContact CD2-CZ 4.15Å; L298-F333 HydrophobicContact CG-CE1 4.39Å; L298-F333 HydrophobicContact CG-CZ 4.34Å; Y301-F333 AromaticContact CD1-CE1 3.72Å; Y301-F333 HydrophobicContact CD1-CE1 3.72Å; Y301-F333 HydrophobicContact CD1-CZ 4.23Å; Y301-F333 HydrophobicContact CD2-CE1 4.29Å; Y301-F333 AromaticContact CE1-CE1 3.94Å; Y301-F333 HydrophobicContact CE1-CE1 3.94Å; Y301-F333 HydrophobicContact CE2-CE1 4.49Å; Y301-F333 AromaticContact CG-CE1 3.91Å; Y301-F333 HydrophobicContact CG-CE1 3.91Å; M306-F333 HydrophobicContact CE-CE2 3.79Å; M306-F333 HydrophobicContact CE-CZ 3.58Å; M306-F333 HydrophobicContact SD-CZ 3.93Å; F310-F333 HydrophobicContact CE1-CE2 4.09Å; V314-F333 HydrophobicContact CG1-CD2 4.14Å; V314-F333 HydrophobicContact CG1-CE2 4.48Å; V314-F333 HydrophobicContact CG2-CD2 4.17Å; V314-F333 HydrophobicContact CG2-CE2 4.03Å; T329-F333 PolarHBondContact O-N 3.49Å; T329-F333 VanDerWaalsContact O-N 3.14Å; Y330-F333 WeakPolarHBondContact O-CB 3.28Å; Y330-F333 PolarHBondContact O-N 3.46Å; Y330-F333 VanDerWaalsContact O-N 3.12Å; L331-F333 VanDerWaalsContact C-N 3.28Å; L331-F333 PolarHBondContact O-N 3.48Å; F333-A336 PolarHBondContact O-N 3.06Å; F333-L337 HydrophobicContact CD1-CD1 4.1Å; F333-L337 HydrophobicContact CD2-CD1 4.28Å; F333-L337 HydrophobicContact CE1-CD1 3.51Å; F333-L337 HydrophobicContact CE2-CD1 3.73Å; F333-L337 HydrophobicContact CE2-CG 4.49Å; F333-L337 HydrophobicContact CG-CD1 4.46Å; F333-L337 HydrophobicContact CZ-CD1 3.32Å; F333-L337 HydrophobicContact CZ-CG 4.45Å; F333-L337 WeakPolarHBondContact O-CG 3.31Å; F333-L337 PolarHBondContact O-N 3.25Å
334V95.6Very high94.5Very high0 Ų033.1 Ų33.10%016%0.159CC..Hα-helixtrans-62.4-47.1177.5174.60000111.2W269 Y301 Y330 L331 A336 L337 E338W269-V334 HydrophobicContact CH2-CG1 4.25Å; Y301-V334 HydrophobicContact CE2-CG2 3.91Å; Y330-V334 HydrophobicContact CD1-CG2 4.12Å; Y330-V334 HydrophobicContact CD2-CG2 4.18Å; Y330-V334 HydrophobicContact CE1-CG2 3.62Å; Y330-V334 HydrophobicContact CE2-CG2 3.68Å; Y330-V334 HydrophobicContact CG-CG2 4.39Å; Y330-V334 WeakPolarHBondContact O-CG2 3.47Å; Y330-V334 PolarHBondContact O-N 3.37Å; L331-V334 PolarHBondContact O-N 3.46Å; V334-A336 VanDerWaalsContact C-N 3.29Å; V334-A336 PolarHBondContact O-N 2.83Å; V334-L337 PolarHBondContact O-N 3.38Å; V334-L337 VanDerWaalsContact O-N 3.15Å; V334-E338 HydrophobicContact CG1-CG 4.11Å; V334-E338 PolarHBondContact O-N 2.93Å
335L95.9Very high94.5Very high0 Ų030.9 Ų30.90%015%0.148CC..Hα-helixtrans-60.2-39.2178.8-73.6173.7000112.1R224 K225 F228 F229 W269 L331 N339R224-L335 HydrophobicContact CB-CD1 4.48Å; R224-L335 HydrophobicContact CG-CD1 4.15Å; K225-L335 HydrophobicContact CD-CD2 3.46Å; K225-L335 VanDerWaalsContact CD-CD2 3.46Å; F228-L335 HydrophobicContact CB-CD1 3.82Å; F228-L335 HydrophobicContact CD1-CB 4Å; F228-L335 HydrophobicContact CD2-CB 4.31Å; F228-L335 HydrophobicContact CE1-CB 4.15Å; F228-L335 HydrophobicContact CE2-CB 4.44Å; F228-L335 HydrophobicContact CG-CB 4.07Å; F228-L335 HydrophobicContact CG-CD1 4.08Å; F228-L335 HydrophobicContact CZ-CB 4.37Å; F229-L335 HydrophobicContact CE2-CD2 4.33Å; W269-L335 HydrophobicContact CD2-CD2 4.28Å; W269-L335 HydrophobicContact CE3-CD2 4.41Å; W269-L335 HydrophobicContact CH2-CD2 3.72Å; W269-L335 HydrophobicContact CH2-CG 4.26Å; W269-L335 HydrophobicContact CZ2-CD2 3.56Å; W269-L335 HydrophobicContact CZ2-CG 4.12Å; W269-L335 HydrophobicContact CZ3-CD2 4.15Å; L331-L335 VanDerWaalsContact O-CB 3.29Å; L331-L335 WeakPolarHBondContact O-CB 3.4Å; L331-L335 WeakPolarHBondContact O-CG 3.24Å; L331-L335 PolarHBondContact O-N 3.47Å; L335-N339 WeakPolarHBondContact O-CB 3.45Å; L335-N339 PolarHBondContact O-N 2.81Å
336A95.4Very high94.5Very high0 Ų031.1 Ų31.10%015%0.15CC..Hα-helixtrans-65.2-43175.500000112.2F228 D332 F333 V334 R340 Y348 I349F228-A336 HydrophobicContact CE2-CB 4.18Å; F228-A336 HydrophobicContact CZ-CB 3.66Å; D332-A336 WeakPolarHBondContact O-CB 3.49Å; D332-A336 PolarHBondContact O-N 2.84Å; F333-A336 PolarHBondContact O-N 3.06Å; V334-A336 VanDerWaalsContact C-N 3.29Å; V334-A336 PolarHBondContact O-N 2.83Å; A336-R340 WeakPolarHBondContact O-CG 3.37Å; A336-R340 PolarHBondContact O-N 2.89Å; A336-Y348 HydrophobicContact CB-CD1 3.24Å; A336-Y348 HydrophobicContact CB-CE1 3.74Å; A336-Y348 HydrophobicContact CB-CG 3.84Å; A336-I349 HydrophobicContact CB-CG1 4.43Å
337L93.2Very high94.5Very high10 Ų1032.9 Ų32.95%0.05216%0.157CC..Hα-helixtrans-78.8-32.7-175.5-68.2-175.3000113.9Y301 M306 F333 V334 N339 R340 I349 I425Y301-L337 HydrophobicContact CD1-CD1 4.33Å; Y301-L337 HydrophobicContact CE1-CD1 3.87Å; M306-L337 HydrophobicContact CE-CD1 4.07Å; M306-L337 HydrophobicContact SD-CD1 3.99Å; F333-L337 HydrophobicContact CD1-CD1 4.1Å; F333-L337 HydrophobicContact CD2-CD1 4.28Å; F333-L337 HydrophobicContact CE1-CD1 3.51Å; F333-L337 HydrophobicContact CE2-CD1 3.73Å; F333-L337 HydrophobicContact CE2-CG 4.49Å; F333-L337 HydrophobicContact CG-CD1 4.46Å; F333-L337 HydrophobicContact CZ-CD1 3.32Å; F333-L337 HydrophobicContact CZ-CG 4.45Å; F333-L337 WeakPolarHBondContact O-CG 3.31Å; F333-L337 PolarHBondContact O-N 3.25Å; V334-L337 PolarHBondContact O-N 3.38Å; V334-L337 VanDerWaalsContact O-N 3.15Å; L337-N339 VanDerWaalsContact C-N 3.33Å; L337-R340 WeakPolarHBondContact O-CG 3.43Å; L337-R340 PolarHBondContact O-NE 2.9Å; L337-R340 PolarHBondContact O-NH2 3.42Å; L337-I349 HydrophobicContact CD2-CD1 4.41Å; L337-I425 HydrophobicContact CD2-CD1 3.87Å
338E92.4Very high94.5Very high74 Ų7433 Ų3335%0.34616%0.158SC..Hα-helixtrans-76.4-22.4175.3-70.3-169.9164.500111.8W269 R277 V334W269-E338 WeakPolarHBondContact CZ3-OE2 3.47Å; R277-E338 IonicContact CZ-OE1 2.7Å; R277-E338 IonicContact NH1-OE1 2.68Å; R277-E338 PolarHBondContact NH1-OE1 3.46Å; R277-E338 IonicContact NH2-OE1 3.62Å; V334-E338 HydrophobicContact CG1-CG 4.11Å; V334-E338 PolarHBondContact O-N 2.93Å
339N93.7Very high94.5Very high43 Ų4329.8 Ų29.823%0.2314%0.144CC..THydrogen-bonded Turntrans-123.539.4-173.9-57.2161.4000113.4K225 F229 L335 L337 K341 E342 A345K225-N339 PolarHBondContact NZ-OD1 3.12Å; F229-N339 HydrophobicContact CE1-CB 4.25Å; F229-N339 HydrophobicContact CZ-CB 3.79Å; F229-N339 WeakPolarHBondContact CZ-OD1 3.46Å; L335-N339 WeakPolarHBondContact O-CB 3.45Å; L335-N339 PolarHBondContact O-N 2.81Å; L337-N339 VanDerWaalsContact C-N 3.33Å; N339-K341 PolarHBondContact O-N 3.24Å; N339-E342 HydrophobicContact CB-CG 4.18Å; N339-E342 WeakPolarHBondContact O-CB 3.49Å; N339-E342 PolarHBondContact O-N 3.32Å; N339-A345 WeakPolarHBondContact O-CB 3.34Å
340R92.8Very high94.5Very high65 Ų6529.9 Ų29.925%0.24514%0.143CC..THydrogen-bonded Turntrans-56.4-18.1-175.4-59.9-176.6-164130.713.5115.8A336 L337 E342 L346 I349 D418 T422A336-R340 WeakPolarHBondContact O-CG 3.37Å; A336-R340 PolarHBondContact O-N 2.89Å; L337-R340 WeakPolarHBondContact O-CG 3.43Å; L337-R340 PolarHBondContact O-NE 2.9Å; L337-R340 PolarHBondContact O-NH2 3.42Å; R340-E342 VanDerWaalsContact C-N 3.32Å; R340-L346 WeakPolarHBondContact O-CD2 3.35Å; R340-L346 WeakPolarHBondContact O-CG 3.45Å; R340-I349 HydrophobicContact CB-CD1 4.47Å; R340-I349 HydrophobicContact CG-CD1 3.86Å; R340-D418 HydrophobicContact CB-CB 3.73Å; R340-T422 WeakPolarHBondContact CD-OG1 3.17Å; R340-T422 PolarHBondContact NH1-OG1 2.89Å
341K91.8Very high94.4Very high158 Ų15834.3 Ų34.369%0.68716%0.162SC*.THydrogen-bonded Turntrans-74.7-24.7175.6-69.3-179.9180-178.90112.7N339 D418N339-K341 PolarHBondContact O-N 3.24Å; K341-D418 WeakPolarHBondContact CE-OD2 3.34Å; K341-D418 HydrophobicContact CG-CB 3.88Å; K341-D418 WeakPolarHBondContact CG-OD2 3.37Å
342E93.6Very high94.3Very high96 Ų9634.4 Ų34.445%0.44916%0.163SC..SBendtrans-75.7139.7-176.5-69.8-62.4154.700111.5F229 N339 R340 A344 A345 L346F229-E342 HydrophobicContact CD1-CB 4.27Å; F229-E342 HydrophobicContact CD1-CG 4.45Å; F229-E342 HydrophobicContact CE1-CB 3.67Å; F229-E342 HydrophobicContact CE1-CG 3.84Å; N339-E342 HydrophobicContact CB-CG 4.18Å; N339-E342 WeakPolarHBondContact O-CB 3.49Å; N339-E342 PolarHBondContact O-N 3.32Å; R340-E342 VanDerWaalsContact C-N 3.32Å; E342-A344 VanDerWaalsContact C-N 3.26Å; E342-A344 PolarHBondContact O-N 3.48Å; E342-A345 HydrophobicContact CB-CB 4.37Å; E342-A345 WeakPolarHBondContact O-CB 3.25Å; E342-A345 PolarHBondContact O-N 3.3Å; E342-L346 PolarHBondContact O-N 3.4Å
343P93.6Very high94.3Very high60 Ų6034.1 Ų34.139%0.3916%0.161SC..Hα-helixtrans-55.7-37.2179.8-28.235.5000114.2L346 Q347 I412P343-L346 PolarHBondContact O-N 3.07Å; P343-Q347 WeakPolarHBondContact O-CB 3.32Å; P343-Q347 PolarHBondContact O-N 2.95Å; P343-I412 HydrophobicContact CB-CD1 4.05Å; P343-I412 HydrophobicContact CB-CG1 4.38Å; P343-I412 HydrophobicContact CG-CG2 4.44Å
344A93.1Very high94.2Very high13 Ų1334.5 Ų34.511%0.10716%0.163CC..Hα-helixtrans-66.7-38.8178.700000112.2F228 F229 E342 Q347 Y348F228-A344 HydrophobicContact CE1-CB 4.39Å; F229-A344 HydrophobicContact CD1-CB 3.89Å; F229-A344 HydrophobicContact CE1-CB 4.38Å; E342-A344 VanDerWaalsContact C-N 3.26Å; E342-A344 PolarHBondContact O-N 3.48Å; A344-Q347 PolarHBondContact O-N 2.85Å; A344-Y348 PolarHBondContact O-N 3.39Å; A344-Y348 VanDerWaalsContact O-N 3.08Å
345A95Very high93.9Very high0 Ų037 Ų370%018%0.176CC..Hα-helixtrans-68.8-43.6175.200000111.5F228 N339 E342 Q347 Y348 I349F228-A345 HydrophobicContact CE1-CB 4.17Å; F228-A345 HydrophobicContact CZ-CB 4.35Å; N339-A345 WeakPolarHBondContact O-CB 3.34Å; E342-A345 HydrophobicContact CB-CB 4.37Å; E342-A345 WeakPolarHBondContact O-CB 3.25Å; E342-A345 PolarHBondContact O-N 3.3Å; A345-Q347 VanDerWaalsContact C-N 3.3Å; A345-Q347 PolarHBondContact O-N 3.34Å; A345-Y348 WeakPolarHBondContact O-CB 2.97Å; A345-Y348 PolarHBondContact O-N 3.02Å; A345-Y348 VanDerWaalsContact O-N 3.17Å; A345-I349 WeakPolarHBondContact O-CG1 3.41Å; A345-I349 PolarHBondContact O-N 3.21Å
346L95Very high93.5Very high6 Ų641.2 Ų41.23%0.03120%0.196CC..Hα-helixtrans-59.5-41.6173.5-71.4176.5000111.8R340 E342 P343 Y348 I349 F350 L408 I412 G417 T421R340-L346 WeakPolarHBondContact O-CD2 3.35Å; R340-L346 WeakPolarHBondContact O-CG 3.45Å; E342-L346 PolarHBondContact O-N 3.4Å; P343-L346 PolarHBondContact O-N 3.07Å; L346-Y348 VanDerWaalsContact C-N 3.33Å; L346-Y348 PolarHBondContact O-N 3.08Å; L346-I349 PolarHBondContact O-N 2.91Å; L346-F350 WeakPolarHBondContact O-CB 3.49Å; L346-F350 PolarHBondContact O-N 3.07Å; L346-L408 HydrophobicContact CB-CD1 4.08Å; L346-I412 HydrophobicContact CD1-CG1 4.05Å; L346-G417 VanDerWaalsContact CD2-C 3.43Å; L346-T421 HydrophobicContact CD2-CG2 4.04Å
347Q94.3Very high93.3Very high64 Ų6446 Ų4630%0.29922%0.221SC..Hα-helixtrans-61-42.6175.8-176.6-178.4-15.900111.8P232 P343 A344 A345 K351 L408P232-Q347 PolarHBondContact O-NE2 2.92Å; P343-Q347 WeakPolarHBondContact O-CB 3.32Å; P343-Q347 PolarHBondContact O-N 2.95Å; A344-Q347 PolarHBondContact O-N 2.85Å; A345-Q347 VanDerWaalsContact C-N 3.3Å; A345-Q347 PolarHBondContact O-N 3.34Å; Q347-K351 PolarHBondContact O-N 3.43Å; Q347-L408 HydrophobicContact CB-CD1 4.38Å; Q347-L408 HydrophobicContact CB-CD2 3.77Å; Q347-L408 HydrophobicContact CG-CD2 3.73Å
348Y94.9Very high93.2Very high18 Ų1850.2 Ų50.27%0.07124%0.239CC..Hα-helixtrans-59.9-52.6175.7177.9-91.3000111.2F228 C318 D332 A336 A344 A345 L346 F350 K351 L352F228-Y348 HydrophobicContact CE2-CD2 4.26Å; F228-Y348 HydrophobicContact CE2-CG 4.29Å; C318-Y348 PolarHBondContact SG-OH 3.33Å; D332-Y348 HydrophobicContact CB-CE2 4.22Å; A336-Y348 HydrophobicContact CB-CD1 3.24Å; A336-Y348 HydrophobicContact CB-CE1 3.74Å; A336-Y348 HydrophobicContact CB-CG 3.84Å; A344-Y348 PolarHBondContact O-N 3.39Å; A344-Y348 VanDerWaalsContact O-N 3.08Å; A345-Y348 WeakPolarHBondContact O-CB 2.97Å; A345-Y348 PolarHBondContact O-N 3.02Å; A345-Y348 VanDerWaalsContact O-N 3.17Å; L346-Y348 VanDerWaalsContact C-N 3.33Å; L346-Y348 PolarHBondContact O-N 3.08Å; Y348-F350 PolarHBondContact O-N 3.28Å; Y348-K351 WeakPolarHBondContact O-CB 3.46Å; Y348-K351 PolarHBondContact O-N 3.33Å; Y348-L352 HydrophobicContact CD1-CD1 4.12Å; Y348-L352 HydrophobicContact CE1-CD1 3.67Å; Y348-L352 PolarHBondContact O-N 3.36Å
349I95.3Very high93.3Very high0 Ų048.6 Ų48.60%024%0.243CC..Hα-helixtrans-66.6-40.3-178.1-60.2166.9000110.9F310 A336 L337 R340 A345 L346 K351 L352 L353 T421F310-I349 HydrophobicContact CE2-CG2 4.26Å; A336-I349 HydrophobicContact CB-CG1 4.43Å; L337-I349 HydrophobicContact CD2-CD1 4.41Å; R340-I349 HydrophobicContact CB-CD1 4.47Å; R340-I349 HydrophobicContact CG-CD1 3.86Å; A345-I349 WeakPolarHBondContact O-CG1 3.41Å; A345-I349 PolarHBondContact O-N 3.21Å; L346-I349 PolarHBondContact O-N 2.91Å; I349-K351 VanDerWaalsContact C-N 3.29Å; I349-K351 PolarHBondContact O-N 3.08Å; I349-L352 WeakPolarHBondContact O-CA 3.32Å; I349-L352 WeakPolarHBondContact O-CB 3.48Å; I349-L352 PolarHBondContact O-N 3.33Å; I349-L353 HydrophobicContact CG2-CD1 4.07Å; I349-L353 HydrophobicContact CG2-CG 4.26Å; I349-L353 WeakPolarHBondContact O-CG 3.42Å; I349-L353 PolarHBondContact O-N 3.11Å; I349-T421 HydrophobicContact CB-CG2 4.25Å; I349-T421 HydrophobicContact CG2-CG2 3.7Å
350F95.2Very high93.3Very high13 Ų1349.3 Ų49.36%0.05724%0.243CC..Hα-helixtrans-59.3-40.8177.5-175.7-89.1000112L346 Y348 L352 L353 D354 L361 L408 L411L346-F350 WeakPolarHBondContact O-CB 3.49Å; L346-F350 PolarHBondContact O-N 3.07Å; Y348-F350 PolarHBondContact O-N 3.28Å; F350-L352 PolarHBondContact O-N 3.36Å; F350-L353 CarbonylContact O-C 3.57Å; F350-L353 PolarHBondContact O-N 3.32Å; F350-L353 VanDerWaalsContact O-N 3.12Å; F350-D354 HydrophobicContact CD1-CB 4.44Å; F350-D354 HydrophobicContact CE1-CB 4.17Å; F350-D354 WeakPolarHBondContact O-CB 3.46Å; F350-D354 PolarHBondContact O-N 3.32Å; F350-L361 HydrophobicContact CD2-CD1 4.09Å; F350-L361 HydrophobicContact CD2-CG 4.18Å; F350-L361 HydrophobicContact CE2-CD1 3.98Å; F350-L361 HydrophobicContact CE2-CD2 4.32Å; F350-L361 HydrophobicContact CE2-CG 3.65Å; F350-L361 HydrophobicContact CZ-CG 4.21Å; F350-L408 HydrophobicContact CB-CD1 3.95Å; F350-L408 HydrophobicContact CD1-CB 4.03Å; F350-L408 HydrophobicContact CD2-CB 4.19Å; F350-L408 HydrophobicContact CE1-CB 4.15Å; F350-L408 HydrophobicContact CE2-CB 4.27Å; F350-L408 HydrophobicContact CG-CB 4.04Å; F350-L408 HydrophobicContact CG-CD1 4.18Å; F350-L408 HydrophobicContact CZ-CB 4.25Å; F350-L411 HydrophobicContact CD2-CD1 3.56Å; F350-L411 HydrophobicContact CE2-CD1 4.01Å
351K93.9Very high93.4Very high93 Ų9346.3 Ų46.340%0.40423%0.232SC..Hα-helixtrans-58.3-37.9174.1-171.8-170.1174.5-146.40111.7E317 Q347 Y348 I349E317-K351 PolarHBondContact O-NZ 3.16Å; E317-K351 WeakPolarHBondContact OE2-CE 3.39Å; E317-K351 IonicContact OE2-NZ 2.76Å; E317-K351 PolarHBondContact OE2-NZ 2.99Å; E317-K351 VanDerWaalsContact OE2-NZ 3.16Å; Q347-K351 PolarHBondContact O-N 3.43Å; Y348-K351 WeakPolarHBondContact O-CB 3.46Å; Y348-K351 PolarHBondContact O-N 3.33Å; I349-K351 VanDerWaalsContact C-N 3.29Å; I349-K351 PolarHBondContact O-N 3.08Å
352L94.7Very high93.5Very high2 Ų240.2 Ų40.21%0.0121%0.207CC..Hα-helixtrans-69.1-37.9176.8-56.6176.9000111.8F310 R313 V314 E317 Y348 I349 F350F310-L352 HydrophobicContact CD2-CB 4.48Å; F310-L352 HydrophobicContact CE1-CD1 4.45Å; F310-L352 HydrophobicContact CE2-CB 3.89Å; F310-L352 HydrophobicContact CE2-CD1 3.53Å; F310-L352 HydrophobicContact CE2-CG 4.36Å; F310-L352 HydrophobicContact CZ-CD1 3.46Å; F310-L352 VanDerWaalsContact CZ-CD1 3.46Å; R313-L352 HydrophobicContact CB-CB 4.34Å; R313-L352 PolarHBondContact NE-O 2.97Å; V314-L352 HydrophobicContact CG2-CD1 3.73Å; E317-L352 HydrophobicContact CB-CD2 3.64Å; E317-L352 HydrophobicContact CG-CD2 4.1Å; Y348-L352 HydrophobicContact CD1-CD1 4.12Å; Y348-L352 HydrophobicContact CE1-CD1 3.67Å; Y348-L352 PolarHBondContact O-N 3.36Å; I349-L352 WeakPolarHBondContact O-CA 3.32Å; I349-L352 WeakPolarHBondContact O-CB 3.48Å; I349-L352 PolarHBondContact O-N 3.33Å; F350-L352 PolarHBondContact O-N 3.36Å
353L94.8Very high93.5Very high1 Ų138.2 Ų38.21%0.00520%0.2CC..Hα-helixtrans-75.5-28.3179.1-63177.5000113.5I349 F350 I355 L361 F369 T421 L424 I425I349-L353 HydrophobicContact CG2-CD1 4.07Å; I349-L353 HydrophobicContact CG2-CG 4.26Å; I349-L353 WeakPolarHBondContact O-CG 3.42Å; I349-L353 PolarHBondContact O-N 3.11Å; F350-L353 CarbonylContact O-C 3.57Å; F350-L353 PolarHBondContact O-N 3.32Å; F350-L353 VanDerWaalsContact O-N 3.12Å; L353-I355 VanDerWaalsContact C-N 3.31Å; L353-I355 PolarHBondContact O-N 2.91Å; L353-L361 VanDerWaalsContact C-CD2 3.48Å; L353-L361 HydrophobicContact CB-CD1 4.04Å; L353-L361 HydrophobicContact CB-CD2 3.76Å; L353-L361 HydrophobicContact CD1-CD1 4.11Å; L353-L361 WeakPolarHBondContact O-CD2 3.46Å; L353-F369 HydrophobicContact CB-CE2 4.16Å; L353-F369 HydrophobicContact CB-CZ 4.48Å; L353-F369 HydrophobicContact CD2-CD1 3.94Å; L353-F369 HydrophobicContact CD2-CD2 3.74Å; L353-F369 HydrophobicContact CD2-CE1 3.83Å; L353-F369 HydrophobicContact CD2-CE2 3.64Å; L353-F369 HydrophobicContact CD2-CG 3.92Å; L353-F369 HydrophobicContact CD2-CZ 3.69Å; L353-F369 WeakPolarHBondContact O-CE2 3.26Å; L353-T421 HydrophobicContact CD1-CG2 4.12Å; L353-L424 HydrophobicContact CD1-CD1 4.07Å; L353-L424 HydrophobicContact CD2-CB 4.38Å; L353-I425 HydrophobicContact CD2-CG2 3.99Å
354D94.3Very high93.4Very high8 Ų841.7 Ų41.74%0.04321%0.21CC..  trans-81.473.9178.7-17411.8000111.6F350 E356 N357 K358 G359 L361F350-D354 HydrophobicContact CD1-CB 4.44Å; F350-D354 HydrophobicContact CE1-CB 4.17Å; F350-D354 WeakPolarHBondContact O-CB 3.46Å; F350-D354 PolarHBondContact O-N 3.32Å; D354-E356 PolarHBondContact O-N 2.96Å; D354-E356 VanDerWaalsContact O-N 3.16Å; D354-N357 PolarHBondContact O-N 3.42Å; D354-N357 PolarHBondContact OD1-N 3.33Å; D354-N357 VanDerWaalsContact OD1-N 3.11Å; D354-N357 WeakPolarHBondContact OD2-CA 3.25Å; D354-K358 PolarHBondContact OD1-N 3.17Å; D354-K358 VanDerWaalsContact OD1-N 3.1Å; D354-K358 PolarHBondContact OD2-N 2.98Å; D354-G359 WeakPolarHBondContact OD2-CA 3.34Å; D354-G359 PolarHBondContact OD2-N 2.75Å; D354-L361 HydrophobicContact CB-CD2 4.21Å
355I89.3Confident93.4Very high54 Ų5441.2 Ų41.228%0.27721%0.205SC..THydrogen-bonded Turntrans-54.8-35.5-177.5-57.3161.3000112.2L353 Y368 F369L353-I355 VanDerWaalsContact C-N 3.31Å; L353-I355 PolarHBondContact O-N 2.91Å; I355-Y368 HydrophobicContact CD1-CD1 3.26Å; I355-Y368 HydrophobicContact CD1-CE1 3.52Å; I355-Y368 HydrophobicContact CD1-CG 3.99Å; I355-F369 HydrophobicContact CD1-CE2 3.77Å; I355-F369 HydrophobicContact CD1-CZ 4.09Å; I355-F369 HydrophobicContact CG1-CE2 4.02Å; I355-F369 HydrophobicContact CG1-CZ 4.07Å
356E87.8Confident93.4Very high88 Ų8841.2 Ų41.241%0.41121%0.206SC..THydrogen-bonded Turntrans-92.3-1-176.2-58.5-174.2109.400113.2D354 K358D354-E356 PolarHBondContact O-N 2.96Å; D354-E356 VanDerWaalsContact O-N 3.16Å; E356-K358 HydrophobicContact CB-CD 3.89Å; E356-K358 HydrophobicContact CB-CG 3.8Å; E356-K358 PolarHBondContact O-N 3.02Å; E356-K358 IonicContact OE1-NZ 2.67Å; E356-K358 PolarHBondContact OE1-NZ 3.44Å; E356-K358 WeakPolarHBondContact OE2-CD 3.43Å; E356-K358 VanDerWaalsContact OE2-CE 3.28Å; E356-K358 WeakPolarHBondContact OE2-CE 3.48Å; E356-K358 IonicContact OE2-NZ 3.89Å; E356-K358 PolarHBondContact OE2-NZ 3.05Å
357N90.3Very high93.3Very high99 Ų9942.6 Ų42.653%0.52921%0.213SC..  trans49.539.3-174.8-73.7-61000113.2D354D354-N357 PolarHBondContact O-N 3.42Å; D354-N357 PolarHBondContact OD1-N 3.33Å; D354-N357 VanDerWaalsContact OD1-N 3.11Å; D354-N357 WeakPolarHBondContact OD2-CA 3.25Å
358K91.7Very high93.4Very high99 Ų9944.1 Ų44.143%0.4322%0.217SC..SBendtrans-90-7.9-178.2-70-179.9-177.2162.40113.1D354 E356 Y360D354-K358 PolarHBondContact OD1-N 3.17Å; D354-K358 VanDerWaalsContact OD1-N 3.1Å; D354-K358 PolarHBondContact OD2-N 2.98Å; E356-K358 HydrophobicContact CB-CD 3.89Å; E356-K358 HydrophobicContact CB-CG 3.8Å; E356-K358 PolarHBondContact O-N 3.02Å; E356-K358 IonicContact OE1-NZ 2.67Å; E356-K358 PolarHBondContact OE1-NZ 3.44Å; E356-K358 WeakPolarHBondContact OE2-CD 3.43Å; E356-K358 VanDerWaalsContact OE2-CE 3.28Å; E356-K358 WeakPolarHBondContact OE2-CE 3.48Å; E356-K358 IonicContact OE2-NZ 3.89Å; E356-K358 PolarHBondContact OE2-NZ 3.05Å; K358-Y360 HydrophobicContact CB-CD1 3.9Å; K358-Y360 HydrophobicContact CB-CE1 3.57Å; K358-Y360 HydrophobicContact CD-CE1 4.27Å; K358-Y360 HydrophobicContact CG-CE1 4.47Å; K358-Y360 WeakPolarHBondContact O-CD1 3.45Å
359G93.6Very high93.4Very high41 Ų4143.4 Ų43.442%0.42321%0.214SC..SBendtrans81.211.5-175.200000114.1D354D354-G359 WeakPolarHBondContact OD2-CA 3.34Å; D354-G359 PolarHBondContact OD2-N 2.75Å
360Y95.1Very high93.3Very high57 Ų5743.4 Ų43.422%0.22421%0.214CC..EExtended strand (participates in β ladder)trans-152.3147.7178.665.1-94.5000112.4K358 N362 K405 I406K358-Y360 HydrophobicContact CB-CD1 3.9Å; K358-Y360 HydrophobicContact CB-CE1 3.57Å; K358-Y360 HydrophobicContact CD-CE1 4.27Å; K358-Y360 HydrophobicContact CG-CE1 4.47Å; K358-Y360 WeakPolarHBondContact O-CD1 3.45Å; Y360-N362 HydrophobicContact CD2-CB 4.37Å; Y360-N362 HydrophobicContact CE2-CB 4.21Å; Y360-K405 HydrophobicContact CD1-CD 4Å; Y360-K405 HydrophobicContact CD2-CB 3.81Å; Y360-K405 HydrophobicContact CD2-CD 3.63Å; Y360-K405 HydrophobicContact CD2-CG 3.56Å; Y360-K405 HydrophobicContact CE1-CD 4.03Å; Y360-K405 HydrophobicContact CE2-CD 3.7Å; Y360-K405 HydrophobicContact CE2-CG 3.81Å; Y360-K405 HydrophobicContact CG-CB 4.03Å; Y360-K405 HydrophobicContact CG-CD 3.8Å; Y360-K405 HydrophobicContact CG-CG 4.08Å; Y360-I406 CarbonylContact C-O 3.54Å; Y360-I406 WeakPolarHBondContact CA-O 3.44Å
361L95.1Very high93.2Very high3 Ų349.5 Ų49.52%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-93.1132.4170.2-53.5178.7000109.4F350 L353 D354 K405 I406F350-L361 HydrophobicContact CD2-CD1 4.09Å; F350-L361 HydrophobicContact CD2-CG 4.18Å; F350-L361 HydrophobicContact CE2-CD1 3.98Å; F350-L361 HydrophobicContact CE2-CD2 4.32Å; F350-L361 HydrophobicContact CE2-CG 3.65Å; F350-L361 HydrophobicContact CZ-CG 4.21Å; L353-L361 VanDerWaalsContact C-CD2 3.48Å; L353-L361 HydrophobicContact CB-CD1 4.04Å; L353-L361 HydrophobicContact CB-CD2 3.76Å; L353-L361 HydrophobicContact CD1-CD1 4.11Å; L353-L361 WeakPolarHBondContact O-CD2 3.46Å; D354-L361 HydrophobicContact CB-CD2 4.21Å; L361-K405 WeakPolarHBondContact O-CA 3.28Å; L361-I406 HydrophobicContact CB-CB 4.38Å; L361-I406 PolarHBondContact N-O 3.14Å; L361-I406 PolarHBondContact O-N 2.91Å
362N92.7Very high93.2Very high30 Ų3045.5 Ų45.516%0.1622%0.221CC..  trans-112.7177.1174.665.533.9000110.2Y360 F364 S365 L366Y360-N362 HydrophobicContact CD2-CB 4.37Å; Y360-N362 HydrophobicContact CE2-CB 4.21Å; N362-F364 PolarHBondContact O-N 3.08Å; N362-F364 WeakPolarHBondContact OD1-CA 3.44Å; N362-F364 VanDerWaalsContact OD1-CB 3.26Å; N362-F364 WeakPolarHBondContact OD1-CB 3.32Å; N362-F364 PolarHBondContact OD1-N 2.96Å; N362-S365 WeakPolarHBondContact O-CB 3.49Å; N362-S365 PolarHBondContact O-N 3.25Å; N362-S365 VanDerWaalsContact O-N 3.09Å; N362-S365 PolarHBondContact OD1-N 2.74Å; N362-S365 PolarHBondContact OD1-OG 2.96Å; N362-L366 PolarHBondContact O-N 3.46Å
363V93.2Very high93Very high53 Ų5345.4 Ų45.432%0.32122%0.22SC..Hα-helixtrans-56.4-34.6179.2-178.60000112.5N367 F387 K391 F395V363-N367 VanDerWaalsContact O-CB 3.3Å; V363-N367 WeakPolarHBondContact O-CB 3.42Å; V363-N367 PolarHBondContact O-N 3.12Å; V363-F387 HydrophobicContact CG1-CE1 3.77Å; V363-F387 HydrophobicContact CG1-CZ 3.95Å; V363-K391 HydrophobicContact CB-CD 4.48Å; V363-K391 HydrophobicContact CG1-CD 3.67Å; V363-K391 HydrophobicContact CG1-CG 4.41Å; V363-K391 HydrophobicContact CG2-CD 4.04Å; V363-F395 HydrophobicContact CG2-CE2 4.28Å; V363-F395 HydrophobicContact CG2-CZ 4.31Å
364F92.9Very high92.8Very high134 Ų13447.1 Ų47.159%0.58823%0.228SC*.Hα-helixtrans-67-46.2176.9174.3-90.3000111.4N362 L366 N367 Y368N362-F364 PolarHBondContact O-N 3.08Å; N362-F364 WeakPolarHBondContact OD1-CA 3.44Å; N362-F364 VanDerWaalsContact OD1-CB 3.26Å; N362-F364 WeakPolarHBondContact OD1-CB 3.32Å; N362-F364 PolarHBondContact OD1-N 2.96Å; F364-L366 VanDerWaalsContact C-N 3.34Å; F364-L366 PolarHBondContact O-N 3.39Å; F364-N367 PolarHBondContact O-N 2.88Å; F364-Y368 WeakPolarHBondContact O-CB 3.28Å; F364-Y368 PolarHBondContact O-N 2.92Å
365S93.3Very high92.6Very high2 Ų252.5 Ų52.51%0.01425%0.253CS..Hα-helixtrans-57.4-47.7176-51.50000110.9N362 N367 Y368 F369N362-S365 WeakPolarHBondContact O-CB 3.49Å; N362-S365 PolarHBondContact O-N 3.25Å; N362-S365 VanDerWaalsContact O-N 3.09Å; N362-S365 PolarHBondContact OD1-N 2.74Å; N362-S365 PolarHBondContact OD1-OG 2.96Å; S365-N367 PolarHBondContact O-N 3.19Å; S365-Y368 WeakPolarHBondContact O-CB 3.32Å; S365-Y368 PolarHBondContact O-N 3.05Å; S365-F369 VanDerWaalsContact O-CD2 3.25Å; S365-F369 WeakPolarHBondContact O-CD2 3.37Å; S365-F369 PolarHBondContact O-N 3.03Å
366L93.8Very high92.6Very high1 Ų151.8 Ų51.81%0.00525%0.25CC..Hα-helixtrans-60.8-46.7178.4-62.5178.5000112N362 F364 Y368 F369 F370 F387 I394 F395 I406 L424N362-L366 PolarHBondContact O-N 3.46Å; F364-L366 VanDerWaalsContact C-N 3.34Å; F364-L366 PolarHBondContact O-N 3.39Å; L366-Y368 VanDerWaalsContact C-N 3.29Å; L366-Y368 PolarHBondContact O-N 2.74Å; L366-F369 PolarHBondContact O-N 3.04Å; L366-F370 VanDerWaalsContact O-CB 3.27Å; L366-F370 WeakPolarHBondContact O-CB 3.14Å; L366-F370 PolarHBondContact O-N 3.37Å; L366-F387 HydrophobicContact CB-CE2 3.98Å; L366-F387 HydrophobicContact CB-CZ 4.08Å; L366-I394 HydrophobicContact CD1-CG2 4.24Å; L366-F395 HydrophobicContact CD1-CD2 4.33Å; L366-F395 HydrophobicContact CD1-CE2 3.65Å; L366-F395 HydrophobicContact CD1-CZ 4.46Å; L366-I406 HydrophobicContact CD1-CD1 4.33Å; L366-L424 HydrophobicContact CD2-CD1 3.56Å; L366-L424 HydrophobicContact CD2-CD2 4Å; L366-L424 HydrophobicContact CD2-CG 4.42Å
367N94.3Very high92.6Very high35 Ų3547.8 Ų47.819%0.18723%0.231CC..Hα-helixtrans-62.9-37.2179-170.223.6000112V363 F364 S365 F370 R371 F387V363-N367 VanDerWaalsContact O-CB 3.3Å; V363-N367 WeakPolarHBondContact O-CB 3.42Å; V363-N367 PolarHBondContact O-N 3.12Å; F364-N367 PolarHBondContact O-N 2.88Å; S365-N367 PolarHBondContact O-N 3.19Å; N367-F370 PolarHBondContact O-N 3.4Å; N367-R371 WeakPolarHBondContact O-CB 3.35Å; N367-R371 WeakPolarHBondContact O-CG 3.29Å; N367-R371 PolarHBondContact O-N 3.28Å; N367-R371 PolarHBondContact OD1-NE 3.14Å; N367-F387 HydrophobicContact CB-CD1 4.2Å; N367-F387 HydrophobicContact CB-CD2 4.29Å; N367-F387 HydrophobicContact CB-CE1 3.71Å; N367-F387 HydrophobicContact CB-CE2 3.82Å; N367-F387 HydrophobicContact CB-CG 4.47Å; N367-F387 HydrophobicContact CB-CZ 3.5Å; N367-F387 VanDerWaalsContact CB-CZ 3.5Å
368Y94.4Very high92.5Very high96 Ų9649.2 Ų49.238%0.37623%0.233SC..Hα-helixtrans-61.3-47.9179.7176.2-99.6000111.9V309 I355 F364 S365 L366V309-Y368 HydrophobicContact CG1-CD1 3.73Å; V309-Y368 HydrophobicContact CG1-CE1 3.09Å; I355-Y368 HydrophobicContact CD1-CD1 3.26Å; I355-Y368 HydrophobicContact CD1-CE1 3.52Å; I355-Y368 HydrophobicContact CD1-CG 3.99Å; F364-Y368 WeakPolarHBondContact O-CB 3.28Å; F364-Y368 PolarHBondContact O-N 2.92Å; S365-Y368 WeakPolarHBondContact O-CB 3.32Å; S365-Y368 PolarHBondContact O-N 3.05Å; L366-Y368 VanDerWaalsContact C-N 3.29Å; L366-Y368 PolarHBondContact O-N 2.74Å
369F94.9Very high92.3Very high2 Ų250.9 Ų50.91%0.00925%0.245CC..Hα-helixtrans-70.5-42.4175.8-72.8-76000112.2V309 R313 L353 I355 S365 L366 R371 A372 L424V309-F369 HydrophobicContact CG1-CD1 3.77Å; V309-F369 HydrophobicContact CG1-CE1 3.81Å; R313-F369 HydrophobicContact CG-CE1 4.1Å; R313-F369 HydrophobicContact CG-CZ 4Å; L353-F369 HydrophobicContact CB-CE2 4.16Å; L353-F369 HydrophobicContact CB-CZ 4.48Å; L353-F369 HydrophobicContact CD2-CD1 3.94Å; L353-F369 HydrophobicContact CD2-CD2 3.74Å; L353-F369 HydrophobicContact CD2-CE1 3.83Å; L353-F369 HydrophobicContact CD2-CE2 3.64Å; L353-F369 HydrophobicContact CD2-CG 3.92Å; L353-F369 HydrophobicContact CD2-CZ 3.69Å; L353-F369 WeakPolarHBondContact O-CE2 3.26Å; I355-F369 HydrophobicContact CD1-CE2 3.77Å; I355-F369 HydrophobicContact CD1-CZ 4.09Å; I355-F369 HydrophobicContact CG1-CE2 4.02Å; I355-F369 HydrophobicContact CG1-CZ 4.07Å; S365-F369 VanDerWaalsContact O-CD2 3.25Å; S365-F369 WeakPolarHBondContact O-CD2 3.37Å; S365-F369 PolarHBondContact O-N 3.03Å; L366-F369 PolarHBondContact O-N 3.04Å; F369-R371 VanDerWaalsContact C-N 3.3Å; F369-R371 PolarHBondContact O-N 2.83Å; F369-A372 WeakPolarHBondContact O-CB 3.45Å; F369-A372 PolarHBondContact O-N 3.41Å; F369-A372 VanDerWaalsContact O-N 3.13Å; F369-L424 HydrophobicContact CB-CB 4.28Å; F369-L424 HydrophobicContact CB-CD2 4.35Å
370F94.1Very high91.8Very high0 Ų054.5 Ų54.50%025%0.251CS..Hα-helixtrans-65.6-31.4-177.3-169.8-106.8000113.3L366 N367 A372 I373 Q374 V385 F387 V390 F430L366-F370 VanDerWaalsContact O-CB 3.27Å; L366-F370 WeakPolarHBondContact O-CB 3.14Å; L366-F370 PolarHBondContact O-N 3.37Å; N367-F370 PolarHBondContact O-N 3.4Å; F370-A372 PolarHBondContact O-N 3.32Å; F370-I373 HydrophobicContact CD2-CB 4.35Å; F370-I373 HydrophobicContact CE2-CG2 4.37Å; F370-I373 WeakPolarHBondContact O-CB 3.42Å; F370-I373 PolarHBondContact O-N 3.35Å; F370-I373 VanDerWaalsContact O-N 3.07Å; F370-Q374 HydrophobicContact CD1-CG 3.82Å; F370-Q374 HydrophobicContact CE1-CG 3.52Å; F370-Q374 HydrophobicContact CZ-CG 4.13Å; F370-Q374 PolarHBondContact O-N 2.98Å; F370-V385 HydrophobicContact CZ-CB 4.43Å; F370-F387 HydrophobicContact CB-CD2 3.98Å; F370-F387 HydrophobicContact CB-CE2 4.33Å; F370-F387 HydrophobicContact CD1-CB 3.93Å; F370-F387 AromaticContact CD1-CD2 3.67Å; F370-F387 HydrophobicContact CD1-CD2 3.67Å; F370-F387 HydrophobicContact CD1-CG 4.28Å; F370-F387 HydrophobicContact CE1-CB 4.18Å; F370-F387 HydrophobicContact CE1-CD2 4.5Å; F370-F387 HydrophobicContact CG-CD2 4.04Å; F370-V390 HydrophobicContact CD2-CG1 4.12Å; F370-V390 HydrophobicContact CE1-CG2 4.29Å; F370-V390 HydrophobicContact CE2-CB 4.24Å; F370-V390 HydrophobicContact CE2-CG1 3.9Å; F370-V390 HydrophobicContact CE2-CG2 3.9Å; F370-V390 HydrophobicContact CZ-CB 4.15Å; F370-V390 HydrophobicContact CZ-CG1 4.32Å; F370-V390 HydrophobicContact CZ-CG2 3.59Å; F370-F430 HydrophobicContact CE2-CD2 4.25Å; F370-F430 HydrophobicContact CE2-CE1 4.4Å; F370-F430 AromaticContact CE2-CE2 3.78Å; F370-F430 HydrophobicContact CE2-CE2 3.78Å; F370-F430 AromaticContact CE2-CZ 3.86Å; F370-F430 HydrophobicContact CE2-CZ 3.86Å; F370-F430 HydrophobicContact CZ-CE2 4.31Å; F370-F430 AromaticContact CZ-CZ 3.99Å; F370-F430 HydrophobicContact CZ-CZ 3.99Å
371R93.6Very high91.2Very high141 Ų14155.2 Ų55.253%0.53228%0.275SS..Hα-helixtrans-57.2-38.5173.5-82.1172.3179.4-162.1-4112.7N367 F369 I373 Q374 E375N367-R371 WeakPolarHBondContact O-CB 3.35Å; N367-R371 WeakPolarHBondContact O-CG 3.29Å; N367-R371 PolarHBondContact O-N 3.28Å; N367-R371 PolarHBondContact OD1-NE 3.14Å; F369-R371 VanDerWaalsContact C-N 3.3Å; F369-R371 PolarHBondContact O-N 2.83Å; R371-I373 VanDerWaalsContact C-N 3.31Å; R371-I373 PolarHBondContact O-N 3.31Å; R371-Q374 PolarHBondContact O-N 3.15Å; R371-E375 WeakPolarHBondContact O-CG 3.47Å; R371-E375 PolarHBondContact O-N 3.46Å
372A92.4Very high90.6Very high9 Ų957.5 Ų57.57%0.07429%0.286CS..Hα-helixtrans-66.2-36.3177.100000111.7T307 V309 F369 F370 E375 L376T307-A372 HydrophobicContact CG2-CB 3.82Å; V309-A372 HydrophobicContact CB-CB 4.04Å; V309-A372 HydrophobicContact CG2-CB 3.64Å; F369-A372 WeakPolarHBondContact O-CB 3.45Å; F369-A372 PolarHBondContact O-N 3.41Å; F369-A372 VanDerWaalsContact O-N 3.13Å; F370-A372 PolarHBondContact O-N 3.32Å; A372-E375 PolarHBondContact O-N 3.31Å; A372-L376 WeakPolarHBondContact O-CG 3.44Å; A372-L376 PolarHBondContact O-N 3.46Å; A372-L376 VanDerWaalsContact O-N 3.09Å
373I91.8Very high90.1Very high0 Ų063.2 Ų63.20%032%0.316CS..Hα-helixtrans-63.2-48.1172.4-60.5-71.8000110.2T307 F370 R371 E375 L376 M377 L427 F430T307-I373 HydrophobicContact CG2-CD1 3.3Å; T307-I373 HydrophobicContact CG2-CG1 3.81Å; F370-I373 HydrophobicContact CD2-CB 4.35Å; F370-I373 HydrophobicContact CE2-CG2 4.37Å; F370-I373 WeakPolarHBondContact O-CB 3.42Å; F370-I373 PolarHBondContact O-N 3.35Å; F370-I373 VanDerWaalsContact O-N 3.07Å; R371-I373 VanDerWaalsContact C-N 3.31Å; R371-I373 PolarHBondContact O-N 3.31Å; I373-E375 VanDerWaalsContact C-N 3.28Å; I373-E375 PolarHBondContact O-N 3.04Å; I373-L376 PolarHBondContact O-N 3.24Å; I373-L376 VanDerWaalsContact O-N 3.13Å; I373-M377 HydrophobicContact CG2-CG 4.44Å; I373-M377 HydrophobicContact CG2-SD 4.47Å; I373-M377 WeakPolarHBondContact O-CG 3.38Å; I373-M377 PolarHBondContact O-N 3.2Å; I373-L427 HydrophobicContact CG2-CD1 4.04Å; I373-F430 HydrophobicContact CG2-CB 4.19Å; I373-F430 HydrophobicContact CG2-CD1 3.75Å; I373-F430 HydrophobicContact CG2-CE1 4.4Å; I373-F430 HydrophobicContact CG2-CG 4.01Å
374Q90.8Very high89.5Confident37 Ų3763.6 Ų63.617%0.17332%0.319CS..Hα-helixtrans-60.4-36178.1-67.9-177.2-52.100113F370 R371 K378 P384 V385F370-Q374 HydrophobicContact CD1-CG 3.82Å; F370-Q374 HydrophobicContact CE1-CG 3.52Å; F370-Q374 HydrophobicContact CZ-CG 4.13Å; F370-Q374 PolarHBondContact O-N 2.98Å; R371-Q374 PolarHBondContact O-N 3.15Å; Q374-K378 WeakPolarHBondContact O-CG 3.45Å; Q374-K378 PolarHBondContact O-N 3.28Å; Q374-K378 VanDerWaalsContact O-N 3.16Å; Q374-P384 HydrophobicContact CB-CB 4.46Å; Q374-V385 PolarHBondContact NE2-O 3.16Å
375E90.5Very high89.2Confident122 Ų12258.8 Ų58.857%0.5730%0.301SS*.Hα-helixtrans-65.3-44.8174.4-75.4175-177.700111.5R371 A372 I373 K378 I379R371-E375 WeakPolarHBondContact O-CG 3.47Å; R371-E375 PolarHBondContact O-N 3.46Å; A372-E375 PolarHBondContact O-N 3.31Å; I373-E375 VanDerWaalsContact C-N 3.28Å; I373-E375 PolarHBondContact O-N 3.04Å; E375-K378 PolarHBondContact O-N 3.28Å; E375-I379 WeakPolarHBondContact O-CG1 3.4Å; E375-I379 PolarHBondContact O-N 2.81Å; E375-I379 VanDerWaalsContact O-N 3.08Å
376L87.9Confident89Confident38 Ų3861.4 Ų61.420%0.19932%0.319CS..Hα-helixtrans-63.2-41.1175.2-70.1175.4000112T307 A372 I373 K378 I379 H380 L427T307-L376 HydrophobicContact CG2-CD1 3.93Å; A372-L376 WeakPolarHBondContact O-CG 3.44Å; A372-L376 PolarHBondContact O-N 3.46Å; A372-L376 VanDerWaalsContact O-N 3.09Å; I373-L376 PolarHBondContact O-N 3.24Å; I373-L376 VanDerWaalsContact O-N 3.13Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 3.43Å; L376-I379 HydrophobicContact CD2-CD1 4.45Å; L376-I379 WeakPolarHBondContact O-CB 3.37Å; L376-I379 PolarHBondContact O-N 3.21Å; L376-I379 VanDerWaalsContact O-N 3.15Å; L376-H380 PolarHBondContact O-CD2 3.45Å; L376-H380 VanDerWaalsContact O-CD2 3.24Å; L376-H380 PolarHBondContact O-N 3.48Å; L376-L427 HydrophobicContact CB-CB 4.49Å; L376-L427 HydrophobicContact CB-CD1 4.24Å; L376-L427 HydrophobicContact CB-CD2 4.01Å; L376-L427 HydrophobicContact CB-CG 4.47Å; L376-L427 HydrophobicContact CD1-CB 4.26Å
377M87.8Confident88.9Confident4 Ų462.8 Ų62.82%0.0233%0.325CS..Hα-helixtrans-55.6-45.7174.2-70.9-177.48200111.9I373 I379 H380 G381 Q382 D383 V385 L427 F430I373-M377 HydrophobicContact CG2-CG 4.44Å; I373-M377 HydrophobicContact CG2-SD 4.47Å; I373-M377 WeakPolarHBondContact O-CG 3.38Å; I373-M377 PolarHBondContact O-N 3.2Å; M377-I379 VanDerWaalsContact C-N 3.34Å; M377-I379 PolarHBondContact O-N 3.05Å; M377-H380 CarbonylContact O-C 3.43Å; M377-H380 PolarHBondContact O-N 2.91Å; M377-G381 PolarHBondContact O-N 3.03Å; M377-G381 VanDerWaalsContact O-N 3.11Å; M377-Q382 HydrophobicContact CB-CB 4.29Å; M377-Q382 HydrophobicContact CE-CB 4.22Å; M377-Q382 PolarHBondContact O-N 3.04Å; M377-D383 VanDerWaalsContact CE-O 3.27Å; M377-D383 WeakPolarHBondContact CE-O 3.27Å; M377-V385 HydrophobicContact CE-CG2 4.19Å; M377-L427 HydrophobicContact CB-CD1 4.42Å; M377-L427 HydrophobicContact CG-CD1 3.43Å; M377-L427 VanDerWaalsContact CG-CD1 3.43Å; M377-F430 HydrophobicContact CE-CE1 4.01Å; M377-F430 HydrophobicContact SD-CD1 4.08Å; M377-F430 HydrophobicContact SD-CE1 3.62Å
378K88.6Confident88.8Confident130 Ų13065.1 Ų65.157%0.56534%0.335SS*.Hα-helixtrans-62.6-40.9177.6-71.4170.5-175.6173.60112.1Q374 E375 L376 H380 G381Q374-K378 WeakPolarHBondContact O-CG 3.45Å; Q374-K378 PolarHBondContact O-N 3.28Å; Q374-K378 VanDerWaalsContact O-N 3.16Å; E375-K378 PolarHBondContact O-N 3.28Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 3.43Å; K378-H380 VanDerWaalsContact C-N 3.26Å; K378-H380 PolarHBondContact O-N 2.52Å; K378-G381 PolarHBondContact O-N 3.06Å; K378-G381 VanDerWaalsContact O-N 3.12Å
379I87.2Confident88.7Confident133 Ų13364.9 Ų64.968%0.68234%0.34SS*.Hα-helixtrans-62.5-38176.7-68.5165.6000110.5E375 L376 M377 G381E375-I379 WeakPolarHBondContact O-CG1 3.4Å; E375-I379 PolarHBondContact O-N 2.81Å; E375-I379 VanDerWaalsContact O-N 3.08Å; L376-I379 HydrophobicContact CD2-CD1 4.45Å; L376-I379 WeakPolarHBondContact O-CB 3.37Å; L376-I379 PolarHBondContact O-N 3.21Å; L376-I379 VanDerWaalsContact O-N 3.15Å; M377-I379 VanDerWaalsContact C-N 3.34Å; M377-I379 PolarHBondContact O-N 3.05Å; I379-G381 PolarHBondContact O-N 3.38Å
380H83.8Confident88.5Confident118 Ų11864.9 Ų64.955%0.54634%0.34SS..THydrogen-bonded Turntrans-82.66.9176.3-75.5-80.1000114.2L376 M377 K378L376-H380 PolarHBondContact O-CD2 3.45Å; L376-H380 VanDerWaalsContact O-CD2 3.24Å; L376-H380 PolarHBondContact O-N 3.48Å; M377-H380 CarbonylContact O-C 3.43Å; M377-H380 PolarHBondContact O-N 2.91Å; K378-H380 VanDerWaalsContact C-N 3.26Å; K378-H380 PolarHBondContact O-N 2.52Å
381G82.4Confident88.5Confident71 Ų7166.5 Ų66.573%0.73235%0.347SS*.THydrogen-bonded Turntrans73.823.3175.300000114.6M377 K378 I379M377-G381 PolarHBondContact O-N 3.03Å; M377-G381 VanDerWaalsContact O-N 3.11Å; K378-G381 PolarHBondContact O-N 3.06Å; K378-G381 VanDerWaalsContact O-N 3.12Å; I379-G381 PolarHBondContact O-N 3.38Å
382Q81.5Confident88.4Confident52 Ų5263 Ų6324%0.24334%0.339CS..PPolyproline II helixtrans-102.7148178.8-61.5-170.8-18.400111.9M377 W431M377-Q382 HydrophobicContact CB-CB 4.29Å; M377-Q382 HydrophobicContact CE-CB 4.22Å; M377-Q382 PolarHBondContact O-N 3.04Å; Q382-W431 VanDerWaalsContact CD-CE3 3.44Å; Q382-W431 HydrophobicContact CG-CH2 4.47Å; Q382-W431 HydrophobicContact CG-CZ3 4.2Å; Q382-W431 VanDerWaalsContact NE2-CE3 3.33Å
383D82.1Confident88.5Confident149 Ų14965.8 Ų65.880%0.79735%0.351SS*.PPolyproline II helixtrans-70.6128177.8-72.1-42.7000110.5M377 V385M377-D383 VanDerWaalsContact CE-O 3.27Å; M377-D383 WeakPolarHBondContact CE-O 3.27Å; D383-V385 PolarHBondContact O-N 3.22Å
384P80.8Confident88.6Confident61 Ų6165.8 Ų65.840%0.39635%0.351SS..PPolyproline II helixtrans-71.7130-176.828.2-33.8000111.1Q374Q374-P384 HydrophobicContact CB-CB 4.46Å
385V86.6Confident88.8Confident34 Ų3465.3 Ų65.321%0.20635%0.348CS..PPolyproline II helixtrans-72.1146.5173.8-177.80000110.5F370 Q374 M377 D383 F387 V390 F430F370-V385 HydrophobicContact CZ-CB 4.43Å; Q374-V385 PolarHBondContact NE2-O 3.16Å; M377-V385 HydrophobicContact CE-CG2 4.19Å; D383-V385 PolarHBondContact O-N 3.22Å; V385-F387 PolarHBondContact O-N 2.72Å; V385-V390 HydrophobicContact CG1-CG2 3.8Å; V385-F430 HydrophobicContact CB-CZ 4.08Å; V385-F430 HydrophobicContact CG1-CZ 4.48Å; V385-F430 HydrophobicContact CG2-CE1 4.14Å; V385-F430 HydrophobicContact CG2-CZ 3.95Å
386S90.6Very high88.9Confident56 Ų5665.1 Ų65.139%0.39235%0.351SS..PPolyproline II helixtrans-65.3127.9176.2175.60000111Q388 D389 V390S386-Q388 PolarHBondContact O-N 2.67Å; S386-Q388 PolarHBondContact OG-N 2.89Å; S386-D389 VanDerWaalsContact CB-OD2 3.28Å; S386-D389 WeakPolarHBondContact CB-OD2 3.48Å; S386-D389 PolarHBondContact O-N 3.03Å; S386-V390 PolarHBondContact O-N 3.04Å
387F91.9Very high89.2Confident30 Ų3065.3 Ų65.313%0.13235%0.351CS..Hα-helixtrans-60-31173.8171.7-108000112.2V363 L366 N367 F370 V385 D389 K391V363-F387 HydrophobicContact CG1-CE1 3.77Å; V363-F387 HydrophobicContact CG1-CZ 3.95Å; L366-F387 HydrophobicContact CB-CE2 3.98Å; L366-F387 HydrophobicContact CB-CZ 4.08Å; N367-F387 HydrophobicContact CB-CD1 4.2Å; N367-F387 HydrophobicContact CB-CD2 4.29Å; N367-F387 HydrophobicContact CB-CE1 3.71Å; N367-F387 HydrophobicContact CB-CE2 3.82Å; N367-F387 HydrophobicContact CB-CG 4.47Å; N367-F387 HydrophobicContact CB-CZ 3.5Å; N367-F387 VanDerWaalsContact CB-CZ 3.5Å; F370-F387 HydrophobicContact CB-CD2 3.98Å; F370-F387 HydrophobicContact CB-CE2 4.33Å; F370-F387 HydrophobicContact CD1-CB 3.93Å; F370-F387 AromaticContact CD1-CD2 3.67Å; F370-F387 HydrophobicContact CD1-CD2 3.67Å; F370-F387 HydrophobicContact CD1-CG 4.28Å; F370-F387 HydrophobicContact CE1-CB 4.18Å; F370-F387 HydrophobicContact CE1-CD2 4.5Å; F370-F387 HydrophobicContact CG-CD2 4.04Å; V385-F387 PolarHBondContact O-N 2.72Å; F387-D389 VanDerWaalsContact C-N 3.29Å; F387-D389 PolarHBondContact O-N 3.04Å; F387-K391 HydrophobicContact CE1-CB 4.13Å; F387-K391 HydrophobicContact CE1-CD 4.14Å; F387-K391 HydrophobicContact CE1-CG 4.31Å; F387-K391 HydrophobicContact CE2-CB 4.15Å; F387-K391 HydrophobicContact CZ-CB 3.9Å; F387-K391 HydrophobicContact CZ-CD 4.31Å; F387-K391 HydrophobicContact CZ-CG 4.03Å; F387-K391 WeakPolarHBondContact O-CB 3.49Å; F387-K391 PolarHBondContact O-N 2.9Å
388Q91.6Very high89.5Confident85 Ų8565.4 Ų65.440%0.39735%0.352SS..Hα-helixtrans-63.9-38.8-178.2-178.653.137.500111.4S386 D392S386-Q388 PolarHBondContact O-N 2.67Å; S386-Q388 PolarHBondContact OG-N 2.89Å; Q388-D392 PolarHBondContact NE2-OD1 2.99Å; Q388-D392 PolarHBondContact NE2-OD2 3.34Å; Q388-D392 PolarHBondContact O-N 2.98Å
389D91.1Very high89.7Confident90 Ų9067.3 Ų67.348%0.48136%0.361SS..Hα-helixtrans-71.4-49-179-56.2-21.2000109.8S386 F387 K391 D392 E393S386-D389 VanDerWaalsContact CB-OD2 3.28Å; S386-D389 WeakPolarHBondContact CB-OD2 3.48Å; S386-D389 PolarHBondContact O-N 3.03Å; F387-D389 VanDerWaalsContact C-N 3.29Å; F387-D389 PolarHBondContact O-N 3.04Å; D389-K391 VanDerWaalsContact C-N 3.29Å; D389-K391 PolarHBondContact O-N 3.47Å; D389-D392 PolarHBondContact O-N 3.47Å; D389-D392 VanDerWaalsContact O-N 3.14Å; D389-E393 WeakPolarHBondContact O-CG 3.37Å; D389-E393 PolarHBondContact O-N 3.37Å
390V91.6Very high90.1Very high2 Ų261.9 Ų61.91%0.01233%0.334CS..Hα-helixtrans-60.9-38.8176.4176.60000112F370 V385 S386 E393 I394 I423 F430F370-V390 HydrophobicContact CD2-CG1 4.12Å; F370-V390 HydrophobicContact CE1-CG2 4.29Å; F370-V390 HydrophobicContact CE2-CB 4.24Å; F370-V390 HydrophobicContact CE2-CG1 3.9Å; F370-V390 HydrophobicContact CE2-CG2 3.9Å; F370-V390 HydrophobicContact CZ-CB 4.15Å; F370-V390 HydrophobicContact CZ-CG1 4.32Å; F370-V390 HydrophobicContact CZ-CG2 3.59Å; V385-V390 HydrophobicContact CG1-CG2 3.8Å; S386-V390 PolarHBondContact O-N 3.04Å; V390-E393 PolarHBondContact O-N 3.33Å; V390-I394 HydrophobicContact CG1-CD1 3.85Å; V390-I394 HydrophobicContact CG1-CG1 4.38Å; V390-I394 WeakPolarHBondContact O-CB 3.25Å; V390-I394 VanDerWaalsContact O-CG1 3.26Å; V390-I394 WeakPolarHBondContact O-CG1 3.31Å; V390-I394 PolarHBondContact O-N 3.04Å; V390-I423 HydrophobicContact CG1-CG2 4.1Å; V390-F430 HydrophobicContact CG2-CE2 4.08Å; V390-F430 HydrophobicContact CG2-CZ 4.26Å
391K93.4Very high90.5Very high34 Ų3464.4 Ų64.415%0.14834%0.343CS..Hα-helixtrans-61.6-51.2175-177-153.372.9179.50110.1V363 F387 D389 E393 I394 F395V363-K391 HydrophobicContact CB-CD 4.48Å; V363-K391 HydrophobicContact CG1-CD 3.67Å; V363-K391 HydrophobicContact CG1-CG 4.41Å; V363-K391 HydrophobicContact CG2-CD 4.04Å; F387-K391 HydrophobicContact CE1-CB 4.13Å; F387-K391 HydrophobicContact CE1-CD 4.14Å; F387-K391 HydrophobicContact CE1-CG 4.31Å; F387-K391 HydrophobicContact CE2-CB 4.15Å; F387-K391 HydrophobicContact CZ-CB 3.9Å; F387-K391 HydrophobicContact CZ-CD 4.31Å; F387-K391 HydrophobicContact CZ-CG 4.03Å; F387-K391 WeakPolarHBondContact O-CB 3.49Å; F387-K391 PolarHBondContact O-N 2.9Å; D389-K391 VanDerWaalsContact C-N 3.29Å; D389-K391 PolarHBondContact O-N 3.47Å; K391-E393 VanDerWaalsContact C-N 3.3Å; K391-E393 PolarHBondContact O-N 3.22Å; K391-I394 PolarHBondContact O-N 3.03Å; K391-F395 HydrophobicContact CG-CD2 3.97Å; K391-F395 HydrophobicContact CG-CE2 3.99Å; K391-F395 VanDerWaalsContact O-CD2 3.3Å; K391-F395 WeakPolarHBondContact O-CD2 3.38Å; K391-F395 PolarHBondContact O-N 2.91Å
392D92.8Very high91Very high67 Ų6764 Ų6436%0.35833%0.325SS..Hα-helixtrans-61.8-41-178.4-66-12.1000110.4Q388 D389 I394 F395 D396Q388-D392 PolarHBondContact NE2-OD1 2.99Å; Q388-D392 PolarHBondContact NE2-OD2 3.34Å; Q388-D392 PolarHBondContact O-N 2.98Å; D389-D392 PolarHBondContact O-N 3.47Å; D389-D392 VanDerWaalsContact O-N 3.14Å; D392-I394 PolarHBondContact O-N 3.48Å; D392-F395 PolarHBondContact O-N 2.94Å; D392-D396 WeakPolarHBondContact O-CB 3.29Å; D392-D396 PolarHBondContact O-N 3.45Å
393E93.6Very high91.5Very high68 Ų6866.4 Ų66.432%0.31834%0.344SS..Hα-helixtrans-59.6-46.9172.9-73.8-170-168.200113.4D389 V390 K391 F395 D396 M397 Y433D389-E393 WeakPolarHBondContact O-CG 3.37Å; D389-E393 PolarHBondContact O-N 3.37Å; V390-E393 PolarHBondContact O-N 3.33Å; K391-E393 VanDerWaalsContact C-N 3.3Å; K391-E393 PolarHBondContact O-N 3.22Å; E393-F395 VanDerWaalsContact C-N 3.32Å; E393-F395 PolarHBondContact O-N 3.2Å; E393-D396 PolarHBondContact O-N 3.21Å; E393-M397 WeakPolarHBondContact O-CB 3.49Å; E393-M397 WeakPolarHBondContact O-CG 3.35Å; E393-M397 PolarHBondContact O-N 2.99Å; E393-Y433 VanDerWaalsContact OE2-CE1 3.3Å; E393-Y433 WeakPolarHBondContact OE2-CE1 3.45Å; E393-Y433 PolarHBondContact OE2-OH 3.27Å
394I94.2Very high92Very high1 Ų165 Ų651%0.00534%0.336CS..Hα-helixtrans-60.3-44178.3-72.3170.3000110.5L366 V390 K391 D392 M397 V398 I406 V420 I423 L424L366-I394 HydrophobicContact CD1-CG2 4.24Å; V390-I394 HydrophobicContact CG1-CD1 3.85Å; V390-I394 HydrophobicContact CG1-CG1 4.38Å; V390-I394 WeakPolarHBondContact O-CB 3.25Å; V390-I394 VanDerWaalsContact O-CG1 3.26Å; V390-I394 WeakPolarHBondContact O-CG1 3.31Å; V390-I394 PolarHBondContact O-N 3.04Å; K391-I394 PolarHBondContact O-N 3.03Å; D392-I394 PolarHBondContact O-N 3.48Å; I394-M397 HydrophobicContact CG1-CE 4.09Å; I394-M397 PolarHBondContact O-N 2.98Å; I394-V398 HydrophobicContact CG2-CG2 4.44Å; I394-V398 WeakPolarHBondContact O-CB 3.37Å; I394-V398 VanDerWaalsContact O-CG2 3.28Å; I394-V398 WeakPolarHBondContact O-CG2 3.38Å; I394-V398 PolarHBondContact O-N 3.06Å; I394-I406 HydrophobicContact CG2-CD1 3.74Å; I394-V420 HydrophobicContact CG1-CG1 4.48Å; I394-V420 HydrophobicContact CG2-CG1 3.83Å; I394-V420 HydrophobicContact CG2-CG2 4.21Å; I394-I423 HydrophobicContact CD1-CG2 4.33Å; I394-L424 HydrophobicContact CD1-CD2 4.25Å
395F94.1Very high92.6Very high27 Ų2765.6 Ų65.612%0.11833%0.333CS..Hα-helixtrans-67.8-35.5178.6-85.8-93.4000112.3V363 L366 K391 D392 E393 K399 P400 P403 I406V363-F395 HydrophobicContact CG2-CE2 4.28Å; V363-F395 HydrophobicContact CG2-CZ 4.31Å; L366-F395 HydrophobicContact CD1-CD2 4.33Å; L366-F395 HydrophobicContact CD1-CE2 3.65Å; L366-F395 HydrophobicContact CD1-CZ 4.46Å; K391-F395 HydrophobicContact CG-CD2 3.97Å; K391-F395 HydrophobicContact CG-CE2 3.99Å; K391-F395 VanDerWaalsContact O-CD2 3.3Å; K391-F395 WeakPolarHBondContact O-CD2 3.38Å; K391-F395 PolarHBondContact O-N 2.91Å; D392-F395 PolarHBondContact O-N 2.94Å; E393-F395 VanDerWaalsContact C-N 3.32Å; E393-F395 PolarHBondContact O-N 3.2Å; F395-K399 WeakPolarHBondContact O-CA 3.46Å; F395-K399 PolarHBondContact O-N 3.42Å; F395-P400 HydrophobicContact CD1-CG 3.74Å; F395-P400 HydrophobicContact CE1-CG 4.02Å; F395-P403 WeakPolarHBondContact CD1-O 3.17Å; F395-P403 WeakPolarHBondContact CE1-O 3.4Å; F395-I406 HydrophobicContact CD1-CD1 4.46Å; F395-I406 HydrophobicContact CD1-CG1 4.48Å; F395-I406 HydrophobicContact CD2-CD1 4.36Å; F395-I406 HydrophobicContact CE1-CD1 4.26Å; F395-I406 HydrophobicContact CE1-CG1 4.09Å; F395-I406 HydrophobicContact CE2-CD1 4.19Å; F395-I406 HydrophobicContact CZ-CD1 4.13Å; F395-I406 HydrophobicContact CZ-CG1 4.28Å
396D93.9Very high93Very high118 Ų11864 Ų6463%0.63132%0.323SS*.Hα-helixtrans-71.4-34.2176.1-79.6-14000113D392 E393 K399D392-D396 WeakPolarHBondContact O-CB 3.29Å; D392-D396 PolarHBondContact O-N 3.45Å; E393-D396 PolarHBondContact O-N 3.21Å; D396-K399 WeakPolarHBondContact O-CE 3.5Å; D396-K399 WeakPolarHBondContact O-CG 3.41Å
397M93.1Very high93.3Very high41 Ų4162.9 Ų62.920%0.20232%0.315CS..Hα-helixtrans-68.6-46.7173.1-76.1-170.8-7300111.6E393 I394 Q416 T419 V420 I423 Y433E393-M397 WeakPolarHBondContact O-CB 3.49Å; E393-M397 WeakPolarHBondContact O-CG 3.35Å; E393-M397 PolarHBondContact O-N 2.99Å; I394-M397 HydrophobicContact CG1-CE 4.09Å; I394-M397 PolarHBondContact O-N 2.98Å; M397-Q416 HydrophobicContact CB-CB 4.28Å; M397-Q416 HydrophobicContact CB-CG 4.33Å; M397-T419 HydrophobicContact SD-CG2 4.38Å; M397-V420 HydrophobicContact CE-CG2 4.12Å; M397-I423 HydrophobicContact CE-CD1 4.17Å; M397-Y433 HydrophobicContact CE-CE2 4.21Å; M397-Y433 WeakPolarHBondContact CE-OH 3.39Å; M397-Y433 HydrophobicContact SD-CE2 4.02Å
398V94.3Very high93.4Very high6 Ų663.1 Ų63.14%0.03632%0.318CS..Hα-helixtrans-80-34.8-173.2177.30000112.4I394 P400 I406 D410 L411 V420I394-V398 HydrophobicContact CG2-CG2 4.44Å; I394-V398 WeakPolarHBondContact O-CB 3.37Å; I394-V398 VanDerWaalsContact O-CG2 3.28Å; I394-V398 WeakPolarHBondContact O-CG2 3.38Å; I394-V398 PolarHBondContact O-N 3.06Å; V398-P400 HydrophobicContact CG1-CB 4.42Å; V398-I406 HydrophobicContact CB-CD1 4.48Å; V398-I406 HydrophobicContact CG1-CG1 4.21Å; V398-I406 HydrophobicContact CG1-CG2 3.89Å; V398-I406 HydrophobicContact CG2-CD1 4.44Å; V398-D410 HydrophobicContact CG1-CB 3.77Å; V398-L411 HydrophobicContact CG1-CD2 4.41Å; V398-L411 HydrophobicContact CG2-CD2 3.75Å; V398-V420 HydrophobicContact CG2-CG2 3.79Å
399K93.7Very high93.6Very high170 Ų17063.9 Ų63.974%0.73932%0.321SS*.  trans46.659.1-174.6-57.2-174.8-179.8174.40112F395 D396F395-K399 WeakPolarHBondContact O-CA 3.46Å; F395-K399 PolarHBondContact O-N 3.42Å; D396-K399 WeakPolarHBondContact O-CE 3.5Å; D396-K399 WeakPolarHBondContact O-CG 3.41Å
400P94.8Very high93.8Very high19 Ų1960.1 Ų60.112%0.12330%0.301CS..  trans-63.3152.8-174.228.1-35.2000111.8F395 V398 D402 K405 I406 D410F395-P400 HydrophobicContact CD1-CG 3.74Å; F395-P400 HydrophobicContact CE1-CG 4.02Å; V398-P400 HydrophobicContact CG1-CB 4.42Å; P400-D402 VanDerWaalsContact C-N 3.29Å; P400-D402 WeakPolarHBondContact CB-O 3.19Å; P400-D402 WeakPolarHBondContact CG-O 2.98Å; P400-D402 PolarHBondContact O-N 3.29Å; P400-K405 VanDerWaalsContact CB-O 3.22Å; P400-K405 WeakPolarHBondContact CB-O 3.2Å; P400-I406 HydrophobicContact CB-CG1 4.18Å; P400-I406 HydrophobicContact CG-CG1 4.08Å; P400-D410 HydrophobicContact CB-CB 4.25Å
401K93.4Very high94Very high171 Ų17160.1 Ų60.174%0.74330%0.301SS*.SBendtrans-61.7-37.9176.1-70.1176.7-178.4174.30112.8D410K401-D410 PolarHBondContact N-OD1 3.03Å
402D92.8Very high94Very high64 Ų6460.4 Ų60.434%0.34230%0.304SS..BIsolated β-bridgetrans-100.3118.5171.2-177.5-25.7000107.9P400 L404 K405P400-D402 VanDerWaalsContact C-N 3.29Å; P400-D402 WeakPolarHBondContact CB-O 3.19Å; P400-D402 WeakPolarHBondContact CG-O 2.98Å; P400-D402 PolarHBondContact O-N 3.29Å; D402-L404 PolarHBondContact O-N 3.18Å; D402-L404 PolarHBondContact OD1-N 3.09Å; D402-K405 HydrophobicContact CB-CB 4.1Å; D402-K405 PolarHBondContact O-N 3.46Å; D402-K405 WeakPolarHBondContact OD2-CD 3.39Å; D402-K405 IonicContact OD2-NZ 3.26Å
403P91.9Very high94.1Very high101 Ų10161.5 Ų61.566%0.65631%0.31SS*.THydrogen-bonded Turntrans-58.2-13.7-177-26.234.9000115.4F395F395-P403 WeakPolarHBondContact CD1-O 3.17Å; F395-P403 WeakPolarHBondContact CE1-O 3.4Å
404L90.9Very high94.1Very high120 Ų12059.4 Ų59.463%0.62830%0.303SS*.THydrogen-bonded Turntrans-109.3-4.3-178.4-60.7177.2000113.6D402D402-L404 PolarHBondContact O-N 3.18Å; D402-L404 PolarHBondContact OD1-N 3.09Å
405K94.3Very high94Very high73 Ų7365.7 Ų65.732%0.31734%0.336SS..BIsolated β-bridgetrans-141.1126.4-170-57.7-178.6-173.81700111.5Y360 L361 P400 D402Y360-K405 HydrophobicContact CD1-CD 4Å; Y360-K405 HydrophobicContact CD2-CB 3.81Å; Y360-K405 HydrophobicContact CD2-CD 3.63Å; Y360-K405 HydrophobicContact CD2-CG 3.56Å; Y360-K405 HydrophobicContact CE1-CD 4.03Å; Y360-K405 HydrophobicContact CE2-CD 3.7Å; Y360-K405 HydrophobicContact CE2-CG 3.81Å; Y360-K405 HydrophobicContact CG-CB 4.03Å; Y360-K405 HydrophobicContact CG-CD 3.8Å; Y360-K405 HydrophobicContact CG-CG 4.08Å; L361-K405 WeakPolarHBondContact O-CA 3.28Å; P400-K405 VanDerWaalsContact CB-O 3.22Å; P400-K405 WeakPolarHBondContact CB-O 3.2Å; D402-K405 HydrophobicContact CB-CB 4.1Å; D402-K405 PolarHBondContact O-N 3.46Å; D402-K405 WeakPolarHBondContact OD2-CD 3.39Å; D402-K405 IonicContact OD2-NZ 3.26Å
406I95.7Very high94Very high1 Ų167.9 Ų67.91%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-100.8111.6173.9-65.6169.2000108.4Y360 L361 L366 I394 F395 V398 P400 L411Y360-I406 CarbonylContact C-O 3.54Å; Y360-I406 WeakPolarHBondContact CA-O 3.44Å; L361-I406 HydrophobicContact CB-CB 4.38Å; L361-I406 PolarHBondContact N-O 3.14Å; L361-I406 PolarHBondContact O-N 2.91Å; L366-I406 HydrophobicContact CD1-CD1 4.33Å; I394-I406 HydrophobicContact CG2-CD1 3.74Å; F395-I406 HydrophobicContact CD1-CD1 4.46Å; F395-I406 HydrophobicContact CD1-CG1 4.48Å; F395-I406 HydrophobicContact CD2-CD1 4.36Å; F395-I406 HydrophobicContact CE1-CD1 4.26Å; F395-I406 HydrophobicContact CE1-CG1 4.09Å; F395-I406 HydrophobicContact CE2-CD1 4.19Å; F395-I406 HydrophobicContact CZ-CD1 4.13Å; F395-I406 HydrophobicContact CZ-CG1 4.28Å; V398-I406 HydrophobicContact CB-CD1 4.48Å; V398-I406 HydrophobicContact CG1-CG1 4.21Å; V398-I406 HydrophobicContact CG1-CG2 3.89Å; V398-I406 HydrophobicContact CG2-CD1 4.44Å; P400-I406 HydrophobicContact CB-CG1 4.18Å; P400-I406 HydrophobicContact CG-CG1 4.08Å; I406-L411 HydrophobicContact CG2-CD1 4.13Å; I406-L411 HydrophobicContact CG2-CD2 3.83Å; I406-L411 HydrophobicContact CG2-CG 3.64Å
407S96.4Very high93.9Very high32 Ų3262.3 Ų62.322%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-86.6163.4171.673.10000111.5Q409 D410 L411S407-Q409 PolarHBondContact O-N 2.64Å; S407-Q409 PolarHBondContact OG-N 2.99Å; S407-D410 VanDerWaalsContact CB-OD2 3.31Å; S407-D410 WeakPolarHBondContact CB-OD2 3.33Å; S407-D410 PolarHBondContact N-OD2 3.19Å; S407-D410 WeakPolarHBondContact O-CB 3.49Å; S407-D410 PolarHBondContact O-N 3.31Å; S407-D410 PolarHBondContact OG-N 3.45Å; S407-D410 PolarHBondContact OG-OD2 3.1Å; S407-L411 PolarHBondContact O-N 2.84Å
408L94.7Very high93.9Very high36 Ų3661.9 Ų61.919%0.18832%0.316CS..Hα-helixtrans-54.3-40.3171.9173.661.7000111.7L346 Q347 F350 D410 L411 I412L346-L408 HydrophobicContact CB-CD1 4.08Å; Q347-L408 HydrophobicContact CB-CD1 4.38Å; Q347-L408 HydrophobicContact CB-CD2 3.77Å; Q347-L408 HydrophobicContact CG-CD2 3.73Å; F350-L408 HydrophobicContact CB-CD1 3.95Å; F350-L408 HydrophobicContact CD1-CB 4.03Å; F350-L408 HydrophobicContact CD2-CB 4.19Å; F350-L408 HydrophobicContact CE1-CB 4.15Å; F350-L408 HydrophobicContact CE2-CB 4.27Å; F350-L408 HydrophobicContact CG-CB 4.04Å; F350-L408 HydrophobicContact CG-CD1 4.18Å; F350-L408 HydrophobicContact CZ-CB 4.25Å; L408-D410 VanDerWaalsContact C-N 3.28Å; L408-D410 PolarHBondContact O-N 2.8Å; L408-L411 PolarHBondContact O-N 3.48Å; L408-I412 HydrophobicContact CD1-CD1 3.95Å; L408-I412 HydrophobicContact CD1-CG1 4.22Å; L408-I412 HydrophobicContact CD2-CD1 4.47Å; L408-I412 HydrophobicContact CG-CD1 3.82Å; L408-I412 HydrophobicContact CG-CG1 4.5Å; L408-I412 WeakPolarHBondContact O-CG1 3.46Å; L408-I412 PolarHBondContact O-N 2.94Å
409Q95.1Very high93.9Very high100 Ų10063.1 Ų63.147%0.46732%0.323SS..Hα-helixtrans-67.1-31.6-179.9-164.364.142.300112S407 N413S407-Q409 PolarHBondContact O-N 2.64Å; S407-Q409 PolarHBondContact OG-N 2.99Å; Q409-N413 PolarHBondContact NE2-OD1 2.74Å; Q409-N413 VanDerWaalsContact O-CB 3.29Å; Q409-N413 WeakPolarHBondContact O-CB 3.29Å; Q409-N413 PolarHBondContact O-N 3.22Å; Q409-N413 PolarHBondContact O-ND2 2.92Å; Q409-N413 PolarHBondContact O-OD1 3.22Å
410D96Very high93.9Very high12 Ų1255 Ų556%0.06429%0.288CS..Hα-helixtrans-67.8-41.6175.2-57.6-52000110.7V398 P400 K401 S407 L408 I412 N413 S414V398-D410 HydrophobicContact CG1-CB 3.77Å; P400-D410 HydrophobicContact CB-CB 4.25Å; K401-D410 PolarHBondContact N-OD1 3.03Å; S407-D410 VanDerWaalsContact CB-OD2 3.31Å; S407-D410 WeakPolarHBondContact CB-OD2 3.33Å; S407-D410 PolarHBondContact N-OD2 3.19Å; S407-D410 WeakPolarHBondContact O-CB 3.49Å; S407-D410 PolarHBondContact O-N 3.31Å; S407-D410 PolarHBondContact OG-N 3.45Å; S407-D410 PolarHBondContact OG-OD2 3.1Å; L408-D410 VanDerWaalsContact C-N 3.28Å; L408-D410 PolarHBondContact O-N 2.8Å; D410-I412 PolarHBondContact O-N 3.48Å; D410-N413 PolarHBondContact O-N 3.3Å; D410-S414 WeakPolarHBondContact O-CB 3.48Å; D410-S414 PolarHBondContact O-N 2.86Å; D410-S414 PolarHBondContact O-OG 3.47Å
411L94.6Very high93.9Very high2 Ų254.1 Ų54.11%0.0128%0.282CS..Hα-helixtrans-63.7-39.4175.2-69.3168.9000112.8F350 V398 I406 S407 L408 S414 V420F350-L411 HydrophobicContact CD2-CD1 3.56Å; F350-L411 HydrophobicContact CE2-CD1 4.01Å; V398-L411 HydrophobicContact CG1-CD2 4.41Å; V398-L411 HydrophobicContact CG2-CD2 3.75Å; I406-L411 HydrophobicContact CG2-CD1 4.13Å; I406-L411 HydrophobicContact CG2-CD2 3.83Å; I406-L411 HydrophobicContact CG2-CG 3.64Å; S407-L411 PolarHBondContact O-N 2.84Å; L408-L411 PolarHBondContact O-N 3.48Å; L411-S414 PolarHBondContact O-OG 2.99Å; L411-S414 VanDerWaalsContact O-OG 3.05Å; L411-V420 HydrophobicContact CD2-CB 4.1Å; L411-V420 HydrophobicContact CD2-CG1 3.95Å; L411-V420 HydrophobicContact CD2-CG2 4.43Å
412I94.1Very high93.8Very high39 Ų3947 Ų4720%0.225%0.253CS..Hα-helixtrans-67.6-45.5176.5-67.5166000110.1P343 L346 L408 D410 S414 N415P343-I412 HydrophobicContact CB-CD1 4.05Å; P343-I412 HydrophobicContact CB-CG1 4.38Å; P343-I412 HydrophobicContact CG-CG2 4.44Å; L346-I412 HydrophobicContact CD1-CG1 4.05Å; L408-I412 HydrophobicContact CD1-CD1 3.95Å; L408-I412 HydrophobicContact CD1-CG1 4.22Å; L408-I412 HydrophobicContact CD2-CD1 4.47Å; L408-I412 HydrophobicContact CG-CD1 3.82Å; L408-I412 HydrophobicContact CG-CG1 4.5Å; L408-I412 WeakPolarHBondContact O-CG1 3.46Å; L408-I412 PolarHBondContact O-N 2.94Å; D410-I412 PolarHBondContact O-N 3.48Å; I412-S414 VanDerWaalsContact C-N 3.3Å; I412-S414 PolarHBondContact O-N 2.94Å; I412-N415 PolarHBondContact O-N 2.94Å
413N94.6Very high93.8Very high91 Ų9144 Ų4449%0.48724%0.237SC..Hα-helixtrans-71.6-24.8-176.4-66.9-14.5000113.2Q409 D410 N415Q409-N413 PolarHBondContact NE2-OD1 2.74Å; Q409-N413 VanDerWaalsContact O-CB 3.29Å; Q409-N413 WeakPolarHBondContact O-CB 3.29Å; Q409-N413 PolarHBondContact O-N 3.22Å; Q409-N413 PolarHBondContact O-ND2 2.92Å; Q409-N413 PolarHBondContact O-OD1 3.22Å; D410-N413 PolarHBondContact O-N 3.3Å; N413-N415 VanDerWaalsContact C-N 3.3Å
414S93.6Very high93.8Very high24 Ų2439.3 Ų39.317%0.16821%0.206CC..Hα-helixtrans-75.2-18.718071.20000113.3D410 L411 I412 Q416D410-S414 WeakPolarHBondContact O-CB 3.48Å; D410-S414 PolarHBondContact O-N 2.86Å; D410-S414 PolarHBondContact O-OG 3.47Å; L411-S414 PolarHBondContact O-OG 2.99Å; L411-S414 VanDerWaalsContact O-OG 3.05Å; I412-S414 VanDerWaalsContact C-N 3.3Å; I412-S414 PolarHBondContact O-N 2.94Å; S414-Q416 PolarHBondContact O-N 3.33Å; S414-Q416 VanDerWaalsContact O-N 3.16Å; S414-Q416 PolarHBondContact OG-N 3.43Å
415N92.2Very high93.9Very high132 Ų13233.6 Ų33.671%0.70618%0.177SC*.THydrogen-bonded Turntrans54.720.7-168.4-59.1-48.7000113.8I412 N413I412-N415 PolarHBondContact O-N 2.94Å; N413-N415 VanDerWaalsContact C-N 3.3Å
416Q93.3Very high93.8Very high73 Ų7330.9 Ų30.934%0.34117%0.166SC..  trans-119.711.6176.9-59.8-59.5-40.300111.7M397 S414 D418 T419 V420M397-Q416 HydrophobicContact CB-CB 4.28Å; M397-Q416 HydrophobicContact CB-CG 4.33Å; S414-Q416 PolarHBondContact O-N 3.33Å; S414-Q416 VanDerWaalsContact O-N 3.16Å; S414-Q416 PolarHBondContact OG-N 3.43Å; Q416-D418 VanDerWaalsContact C-N 3.3Å; Q416-D418 PolarHBondContact O-N 2.86Å; Q416-T419 PolarHBondContact O-N 3.29Å; Q416-V420 WeakPolarHBondContact O-CG2 3.48Å; Q416-V420 PolarHBondContact O-N 2.85Å
417G92.7Very high93.4Very high1 Ų131.4 Ų31.41%0.0117%0.168CC..Hα-helixtrans-61-37-177.600000113.1L346 T421L346-G417 VanDerWaalsContact CD2-C 3.43Å; G417-T421 WeakPolarHBondContact O-CB 3.42Å; G417-T421 VanDerWaalsContact O-CG2 3.23Å; G417-T421 WeakPolarHBondContact O-CG2 3.4Å; G417-T421 PolarHBondContact O-N 2.94Å; G417-T421 PolarHBondContact O-OG1 3.48Å
418D94Very high93Very high32 Ų3233.1 Ų33.117%0.17118%0.175CC..Hα-helixtrans-65.6-42.1177.461.4-39.4000111.8R340 K341 Q416 T421 T422R340-D418 HydrophobicContact CB-CB 3.73Å; K341-D418 WeakPolarHBondContact CE-OD2 3.34Å; K341-D418 HydrophobicContact CG-CB 3.88Å; K341-D418 WeakPolarHBondContact CG-OD2 3.37Å; Q416-D418 VanDerWaalsContact C-N 3.3Å; Q416-D418 PolarHBondContact O-N 2.86Å; D418-T421 WeakPolarHBondContact CA-OG1 3.21Å; D418-T421 PolarHBondContact O-OG1 3.38Å; D418-T421 VanDerWaalsContact O-OG1 3.07Å; D418-T422 WeakPolarHBondContact O-CB 3.37Å; D418-T422 PolarHBondContact O-N 2.94Å; D418-T422 PolarHBondContact O-OG1 3.44Å
419T93.4Very high92.5Very high32 Ų3232 Ų3220%0.19617%0.172CC..Hα-helixtrans-64.9-50.9175.5-540000111.5M397 Q416 T421 T422 I423 Y433M397-T419 HydrophobicContact SD-CG2 4.38Å; Q416-T419 PolarHBondContact O-N 3.29Å; T419-T421 PolarHBondContact O-N 3.2Å; T419-T422 PolarHBondContact O-N 3.33Å; T419-I423 HydrophobicContact CG2-CD1 3.97Å; T419-I423 WeakPolarHBondContact O-CG1 3.26Å; T419-I423 PolarHBondContact O-N 2.74Å; T419-Y433 HydrophobicContact CG2-CD2 3.35Å; T419-Y433 HydrophobicContact CG2-CE2 3.41Å; T419-Y433 VanDerWaalsContact CG2-CE2 3.41Å; T419-Y433 HydrophobicContact CG2-CG 4.41Å
420V93.8Very high92.2Very high1 Ų127.2 Ų27.21%0.00615%0.15CC..Hα-helixtrans-61-45.3-179.21730000111.3I394 M397 V398 L411 Q416 T422 I423 L424I394-V420 HydrophobicContact CG1-CG1 4.48Å; I394-V420 HydrophobicContact CG2-CG1 3.83Å; I394-V420 HydrophobicContact CG2-CG2 4.21Å; M397-V420 HydrophobicContact CE-CG2 4.12Å; V398-V420 HydrophobicContact CG2-CG2 3.79Å; L411-V420 HydrophobicContact CD2-CB 4.1Å; L411-V420 HydrophobicContact CD2-CG1 3.95Å; L411-V420 HydrophobicContact CD2-CG2 4.43Å; Q416-V420 WeakPolarHBondContact O-CG2 3.48Å; Q416-V420 PolarHBondContact O-N 2.85Å; V420-T422 VanDerWaalsContact C-N 3.35Å; V420-I423 PolarHBondContact O-N 3.04Å; V420-L424 HydrophobicContact CG1-CD1 4.09Å; V420-L424 VanDerWaalsContact O-CG 3.31Å; V420-L424 WeakPolarHBondContact O-CG 3.24Å; V420-L424 PolarHBondContact O-N 2.77Å
421T93.8Very high91.7Very high0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-64.4-40.7177.451.90000111.6L346 I349 L353 G417 D418 T419 L424 I425L346-T421 HydrophobicContact CD2-CG2 4.04Å; I349-T421 HydrophobicContact CB-CG2 4.25Å; I349-T421 HydrophobicContact CG2-CG2 3.7Å; L353-T421 HydrophobicContact CD1-CG2 4.12Å; G417-T421 WeakPolarHBondContact O-CB 3.42Å; G417-T421 VanDerWaalsContact O-CG2 3.23Å; G417-T421 WeakPolarHBondContact O-CG2 3.4Å; G417-T421 PolarHBondContact O-N 2.94Å; G417-T421 PolarHBondContact O-OG1 3.48Å; D418-T421 WeakPolarHBondContact CA-OG1 3.21Å; D418-T421 PolarHBondContact O-OG1 3.38Å; D418-T421 VanDerWaalsContact O-OG1 3.07Å; T419-T421 PolarHBondContact O-N 3.2Å; T421-L424 PolarHBondContact O-N 2.74Å; T421-I425 VanDerWaalsContact O-CG1 3.25Å; T421-I425 WeakPolarHBondContact O-CG1 3.22Å; T421-I425 WeakPolarHBondContact O-CG2 3.31Å; T421-I425 PolarHBondContact O-N 2.88Å
422T93Very high91.3Very high21 Ų2134.8 Ų34.813%0.12919%0.185CC..Hα-helixtrans-62.4-44.4178.6-62.60000112R340 D418 T419 V420 L424 I425 D426 G429R340-T422 WeakPolarHBondContact CD-OG1 3.17Å; R340-T422 PolarHBondContact NH1-OG1 2.89Å; D418-T422 WeakPolarHBondContact O-CB 3.37Å; D418-T422 PolarHBondContact O-N 2.94Å; D418-T422 PolarHBondContact O-OG1 3.44Å; T419-T422 PolarHBondContact O-N 3.33Å; V420-T422 VanDerWaalsContact C-N 3.35Å; T422-L424 PolarHBondContact O-N 3.41Å; T422-I425 PolarHBondContact O-N 3.39Å; T422-D426 PolarHBondContact O-N 2.84Å; T422-D426 VanDerWaalsContact O-N 3.14Å; T422-G429 VanDerWaalsContact CG2-CA 3.46Å
423I92.1Very high91Very high1 Ų134.3 Ų34.31%0.00518%0.181CC..Hα-helixtrans-56-39.3175.6-72.6165.1000111.9V390 I394 M397 T419 V420 F430 Y433V390-I423 HydrophobicContact CG1-CG2 4.1Å; I394-I423 HydrophobicContact CD1-CG2 4.33Å; M397-I423 HydrophobicContact CE-CD1 4.17Å; T419-I423 HydrophobicContact CG2-CD1 3.97Å; T419-I423 WeakPolarHBondContact O-CG1 3.26Å; T419-I423 PolarHBondContact O-N 2.74Å; V420-I423 PolarHBondContact O-N 3.04Å; I423-F430 HydrophobicContact CB-CD2 4.4Å; I423-F430 HydrophobicContact CG1-CD2 4.28Å; I423-F430 HydrophobicContact CG2-CD2 3.81Å; I423-F430 HydrophobicContact CG2-CE2 4.33Å; I423-Y433 HydrophobicContact CD1-CD1 3.73Å; I423-Y433 HydrophobicContact CD1-CD2 3.9Å; I423-Y433 HydrophobicContact CD1-CE1 3.68Å; I423-Y433 HydrophobicContact CD1-CE2 3.81Å; I423-Y433 HydrophobicContact CD1-CG 3.83Å; I423-Y433 HydrophobicContact CG1-CD1 4.08Å; I423-Y433 HydrophobicContact CG1-CD2 4.45Å; I423-Y433 HydrophobicContact CG1-CG 4.05Å
424L92.6Very high90.5Very high2 Ų233.1 Ų33.11%0.0117%0.173CC..Hα-helixtrans-82.2-20.7-173.7-65.8170.6000113.5L353 L366 F369 I394 V420 T421 T422L353-L424 HydrophobicContact CD1-CD1 4.07Å; L353-L424 HydrophobicContact CD2-CB 4.38Å; L366-L424 HydrophobicContact CD2-CD1 3.56Å; L366-L424 HydrophobicContact CD2-CD2 4Å; L366-L424 HydrophobicContact CD2-CG 4.42Å; F369-L424 HydrophobicContact CB-CB 4.28Å; F369-L424 HydrophobicContact CB-CD2 4.35Å; I394-L424 HydrophobicContact CD1-CD2 4.25Å; V420-L424 HydrophobicContact CG1-CD1 4.09Å; V420-L424 VanDerWaalsContact O-CG 3.31Å; V420-L424 WeakPolarHBondContact O-CG 3.24Å; V420-L424 PolarHBondContact O-N 2.77Å; T421-L424 PolarHBondContact O-N 2.74Å; T422-L424 PolarHBondContact O-N 3.41Å
425I92.7Very high89.9Confident1 Ų134.4 Ų34.41%0.00518%0.178CC..Hα-helixtrans-112.7-27-169.272.6-173.9000114.2M306 T307 F310 L337 L353 T421 T422M306-I425 WeakPolarHBondContact CA-O 3.44Å; T307-I425 PolarHBondContact N-O 3.32Å; T307-I425 PolarHBondContact OG1-O 2.6Å; F310-I425 HydrophobicContact CB-CB 4.25Å; F310-I425 HydrophobicContact CB-CG2 4.36Å; F310-I425 HydrophobicContact CD1-CB 4.15Å; F310-I425 HydrophobicContact CD1-CG2 4.45Å; F310-I425 HydrophobicContact CD2-CB 3.86Å; F310-I425 HydrophobicContact CD2-CG2 3.29Å; F310-I425 HydrophobicContact CE1-CB 4.47Å; F310-I425 HydrophobicContact CE2-CB 4.2Å; F310-I425 HydrophobicContact CE2-CG2 3.54Å; F310-I425 HydrophobicContact CG-CB 3.8Å; F310-I425 HydrophobicContact CG-CG2 3.78Å; F310-I425 HydrophobicContact CZ-CB 4.48Å; F310-I425 HydrophobicContact CZ-CD1 4.29Å; F310-I425 HydrophobicContact CZ-CG2 4.22Å; L337-I425 HydrophobicContact CD2-CD1 3.87Å; L353-I425 HydrophobicContact CD2-CG2 3.99Å; T421-I425 VanDerWaalsContact O-CG1 3.25Å; T421-I425 WeakPolarHBondContact O-CG1 3.22Å; T421-I425 WeakPolarHBondContact O-CG2 3.31Å; T421-I425 PolarHBondContact O-N 2.88Å; T422-I425 PolarHBondContact O-N 3.39Å
426D91.3Very high89.3Confident16 Ų1632.8 Ų32.89%0.08616%0.162CC..BIsolated β-bridgetrans-135129-170.4-178.454.5000113.2T305 M306 T422 N428 G429 F430T305-D426 VanDerWaalsContact CB-OD1 3.26Å; T305-D426 WeakPolarHBondContact CB-OD1 2.98Å; T305-D426 PolarHBondContact OG1-OD1 3.12Å; M306-D426 HydrophobicContact CG-CB 4.39Å; M306-D426 PolarHBondContact N-OD1 3.5Å; T422-D426 PolarHBondContact O-N 2.84Å; T422-D426 VanDerWaalsContact O-N 3.14Å; D426-N428 PolarHBondContact OD2-N 3.45Å; D426-G429 PolarHBondContact O-N 3.39Å; D426-G429 PolarHBondContact OD2-N 2.85Å; D426-F430 PolarHBondContact O-N 2.78Å
427L88.6Confident88.4Confident11 Ų1136.3 Ų36.36%0.05818%0.178CC..Hα-helixtrans-65.4-44.2-179.5175.174.9000112T305 I373 L376 M377 G429 F430 W431T305-L427 PolarHBondContact O-N 2.77Å; I373-L427 HydrophobicContact CG2-CD1 4.04Å; L376-L427 HydrophobicContact CB-CB 4.49Å; L376-L427 HydrophobicContact CB-CD1 4.24Å; L376-L427 HydrophobicContact CB-CD2 4.01Å; L376-L427 HydrophobicContact CB-CG 4.47Å; L376-L427 HydrophobicContact CD1-CB 4.26Å; M377-L427 HydrophobicContact CB-CD1 4.42Å; M377-L427 HydrophobicContact CG-CD1 3.43Å; M377-L427 VanDerWaalsContact CG-CD1 3.43Å; L427-G429 VanDerWaalsContact C-N 3.31Å; L427-G429 PolarHBondContact O-N 2.7Å; L427-F430 PolarHBondContact O-N 3.12Å; L427-W431 WeakPolarHBondContact O-CB 3.07Å; L427-W431 PolarHBondContact O-N 3.41Å
428N87.1Confident87.3Confident68 Ų6838.7 Ų38.736%0.36420%0.198SC..Hα-helixtrans-67.4-38.1-178.4-170.639.5000111T305 D426 W431 T432T305-N428 HydrophobicContact CG2-CB 4.17Å; T305-N428 WeakPolarHBondContact OG1-CB 3.29Å; D426-N428 PolarHBondContact OD2-N 3.45Å; N428-W431 PolarHBondContact O-N 3.49Å; N428-T432 WeakPolarHBondContact O-CB 3.42Å; N428-T432 PolarHBondContact O-N 2.87Å; N428-T432 PolarHBondContact O-OG1 3.43Å
429G84.9Confident85.9Confident13 Ų1341.1 Ų41.113%0.13421%0.211CC..Hα-helixtrans-57.3-46.7170.100000113T422 D426 L427 Y433T422-G429 VanDerWaalsContact CG2-CA 3.46Å; D426-G429 PolarHBondContact O-N 3.39Å; D426-G429 PolarHBondContact OD2-N 2.85Å; L427-G429 VanDerWaalsContact C-N 3.31Å; L427-G429 PolarHBondContact O-N 2.7Å; G429-Y433 PolarHBondContact O-N 3.48Å; G429-Y433 VanDerWaalsContact O-N 3.17Å
430F88.4Confident84.7Confident0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-62-47.5172.9177.8-110.1000112.2F370 I373 M377 V385 V390 I423 D426 L427 T432 Y433 E434F370-F430 HydrophobicContact CE2-CD2 4.25Å; F370-F430 HydrophobicContact CE2-CE1 4.4Å; F370-F430 AromaticContact CE2-CE2 3.78Å; F370-F430 HydrophobicContact CE2-CE2 3.78Å; F370-F430 AromaticContact CE2-CZ 3.86Å; F370-F430 HydrophobicContact CE2-CZ 3.86Å; F370-F430 HydrophobicContact CZ-CE2 4.31Å; F370-F430 AromaticContact CZ-CZ 3.99Å; F370-F430 HydrophobicContact CZ-CZ 3.99Å; I373-F430 HydrophobicContact CG2-CB 4.19Å; I373-F430 HydrophobicContact CG2-CD1 3.75Å; I373-F430 HydrophobicContact CG2-CE1 4.4Å; I373-F430 HydrophobicContact CG2-CG 4.01Å; M377-F430 HydrophobicContact CE-CE1 4.01Å; M377-F430 HydrophobicContact SD-CD1 4.08Å; M377-F430 HydrophobicContact SD-CE1 3.62Å; V385-F430 HydrophobicContact CB-CZ 4.08Å; V385-F430 HydrophobicContact CG1-CZ 4.48Å; V385-F430 HydrophobicContact CG2-CE1 4.14Å; V385-F430 HydrophobicContact CG2-CZ 3.95Å; V390-F430 HydrophobicContact CG2-CE2 4.08Å; V390-F430 HydrophobicContact CG2-CZ 4.26Å; I423-F430 HydrophobicContact CB-CD2 4.4Å; I423-F430 HydrophobicContact CG1-CD2 4.28Å; I423-F430 HydrophobicContact CG2-CD2 3.81Å; I423-F430 HydrophobicContact CG2-CE2 4.33Å; D426-F430 PolarHBondContact O-N 2.78Å; L427-F430 PolarHBondContact O-N 3.12Å; F430-T432 VanDerWaalsContact C-N 3.3Å; F430-T432 PolarHBondContact O-N 3.21Å; F430-Y433 WeakPolarHBondContact O-CB 3.17Å; F430-Y433 PolarHBondContact O-N 2.94Å; F430-Y433 VanDerWaalsContact O-N 3.08Å; F430-E434 HydrophobicContact CD1-CG 4.17Å; F430-E434 HydrophobicContact CD2-CG 4.17Å; F430-E434 HydrophobicContact CE1-CG 3.63Å; F430-E434 HydrophobicContact CE2-CG 3.65Å; F430-E434 WeakPolarHBondContact CE2-OE1 3.31Å; F430-E434 HydrophobicContact CG-CG 4.43Å; F430-E434 VanDerWaalsContact CZ-CD 3.46Å; F430-E434 HydrophobicContact CZ-CG 3.35Å; F430-E434 WeakPolarHBondContact O-CG 3.46Å; F430-E434 PolarHBondContact O-N 2.89Å
431W85.4Confident83.1Confident104 Ų10446.4 Ų46.439%0.39425%0.247SC..Hα-helixtrans-58.7-40.7179.3-177.9-100.8000113Q382 L427 N428 Y433 E434 N435Q382-W431 VanDerWaalsContact CD-CE3 3.44Å; Q382-W431 HydrophobicContact CG-CH2 4.47Å; Q382-W431 HydrophobicContact CG-CZ3 4.2Å; Q382-W431 VanDerWaalsContact NE2-CE3 3.33Å; L427-W431 WeakPolarHBondContact O-CB 3.07Å; L427-W431 PolarHBondContact O-N 3.41Å; N428-W431 PolarHBondContact O-N 3.49Å; W431-Y433 VanDerWaalsContact C-N 3.32Å; W431-E434 PolarHBondContact O-N 3.41Å; W431-N435 WeakPolarHBondContact CZ2-ND2 3.48Å; W431-N435 PolarHBondContact NE1-ND2 3.43Å; W431-N435 WeakPolarHBondContact O-CB 3.44Å; W431-N435 PolarHBondContact O-N 3.01Å; W431-N435 VanDerWaalsContact O-N 3.08Å; W431-N435 PolarHBondContact O-ND2 2.89Å
432T86.5Confident81.2Confident69 Ų6950.5 Ų50.542%0.42327%0.269SS..Hα-helixtrans-65.2-38.5176.9-55.30000111.1N428 F430 R436 L439N428-T432 WeakPolarHBondContact O-CB 3.42Å; N428-T432 PolarHBondContact O-N 2.87Å; N428-T432 PolarHBondContact O-OG1 3.43Å; F430-T432 VanDerWaalsContact C-N 3.3Å; F430-T432 PolarHBondContact O-N 3.21Å; T432-R436 PolarHBondContact O-N 3.07Å; T432-R436 VanDerWaalsContact O-N 3.17Å; T432-L439 HydrophobicContact CG2-CD1 4.15Å
433Y86.2Confident79.5Confident28 Ų2855 Ų5511%0.1129%0.292CS..Hα-helixtrans-67.7-44.5176.8171.7-91.8000112.4E393 M397 T419 I423 G429 F430 W431 N435 R436E393-Y433 VanDerWaalsContact OE2-CE1 3.3Å; E393-Y433 WeakPolarHBondContact OE2-CE1 3.45Å; E393-Y433 PolarHBondContact OE2-OH 3.27Å; M397-Y433 HydrophobicContact CE-CE2 4.21Å; M397-Y433 WeakPolarHBondContact CE-OH 3.39Å; M397-Y433 HydrophobicContact SD-CE2 4.02Å; T419-Y433 HydrophobicContact CG2-CD2 3.35Å; T419-Y433 HydrophobicContact CG2-CE2 3.41Å; T419-Y433 VanDerWaalsContact CG2-CE2 3.41Å; T419-Y433 HydrophobicContact CG2-CG 4.41Å; I423-Y433 HydrophobicContact CD1-CD1 3.73Å; I423-Y433 HydrophobicContact CD1-CD2 3.9Å; I423-Y433 HydrophobicContact CD1-CE1 3.68Å; I423-Y433 HydrophobicContact CD1-CE2 3.81Å; I423-Y433 HydrophobicContact CD1-CG 3.83Å; I423-Y433 HydrophobicContact CG1-CD1 4.08Å; I423-Y433 HydrophobicContact CG1-CD2 4.45Å; I423-Y433 HydrophobicContact CG1-CG 4.05Å; G429-Y433 PolarHBondContact O-N 3.48Å; G429-Y433 VanDerWaalsContact O-N 3.17Å; F430-Y433 WeakPolarHBondContact O-CB 3.17Å; F430-Y433 PolarHBondContact O-N 2.94Å; F430-Y433 VanDerWaalsContact O-N 3.08Å; W431-Y433 VanDerWaalsContact C-N 3.32Å; Y433-N435 VanDerWaalsContact C-N 3.34Å; Y433-N435 PolarHBondContact O-N 3.05Å; Y433-R436 VanDerWaalsContact O-CB 3.3Å; Y433-R436 WeakPolarHBondContact O-CB 3.28Å; Y433-R436 WeakPolarHBondContact O-CD 3.49Å; Y433-R436 WeakPolarHBondContact O-CG 3.32Å; Y433-R436 PolarHBondContact O-N 3.09Å; Y433-R436 PolarHBondContact OH-NH1 2.85Å
434E84.9Confident77.6Confident66 Ų6657.8 Ų57.831%0.30831%0.311SS..Hα-helixtrans-63.3-40.2178-70.5-65.9116.100111.7F430 W431 R436F430-E434 HydrophobicContact CD1-CG 4.17Å; F430-E434 HydrophobicContact CD2-CG 4.17Å; F430-E434 HydrophobicContact CE1-CG 3.63Å; F430-E434 HydrophobicContact CE2-CG 3.65Å; F430-E434 WeakPolarHBondContact CE2-OE1 3.31Å; F430-E434 HydrophobicContact CG-CG 4.43Å; F430-E434 VanDerWaalsContact CZ-CD 3.46Å; F430-E434 HydrophobicContact CZ-CG 3.35Å; F430-E434 WeakPolarHBondContact O-CG 3.46Å; F430-E434 PolarHBondContact O-N 2.89Å; W431-E434 PolarHBondContact O-N 3.41Å; E434-R436 VanDerWaalsContact C-N 3.31Å; E434-R436 PolarHBondContact O-N 3.39Å
435N81.3Confident75.5Confident51 Ų5163.8 Ų63.827%0.27334%0.339SS..THydrogen-bonded Turntrans-9011.3-179-65.1-70000113.8W431 Y433 E437 A438 L439W431-N435 WeakPolarHBondContact CZ2-ND2 3.48Å; W431-N435 PolarHBondContact NE1-ND2 3.43Å; W431-N435 WeakPolarHBondContact O-CB 3.44Å; W431-N435 PolarHBondContact O-N 3.01Å; W431-N435 VanDerWaalsContact O-N 3.08Å; W431-N435 PolarHBondContact O-ND2 2.89Å; Y433-N435 VanDerWaalsContact C-N 3.34Å; Y433-N435 PolarHBondContact O-N 3.05Å; N435-E437 PolarHBondContact O-N 3.27Å; N435-E437 VanDerWaalsContact O-N 3.17Å; N435-A438 PolarHBondContact O-N 3.35Å; N435-A438 VanDerWaalsContact O-N 3.12Å; N435-L439 WeakPolarHBondContact O-CG 3.41Å; N435-L439 PolarHBondContact O-N 3.45Å
436R79.6Confident73.3Confident98 Ų9868.8 Ų68.837%0.3737%0.366SS..Hα-helixtrans-55.9-36.8-175.470.4-175.1177.9-122.10.2112.9T432 Y433 E434 V440T432-R436 PolarHBondContact O-N 3.07Å; T432-R436 VanDerWaalsContact O-N 3.17Å; Y433-R436 VanDerWaalsContact O-CB 3.3Å; Y433-R436 WeakPolarHBondContact O-CB 3.28Å; Y433-R436 WeakPolarHBondContact O-CD 3.49Å; Y433-R436 WeakPolarHBondContact O-CG 3.32Å; Y433-R436 PolarHBondContact O-N 3.09Å; Y433-R436 PolarHBondContact OH-NH1 2.85Å; E434-R436 VanDerWaalsContact C-N 3.31Å; E434-R436 PolarHBondContact O-N 3.39Å; R436-V440 WeakPolarHBondContact O-CB 3.5Å; R436-V440 WeakPolarHBondContact O-CG2 3.37Å; R436-V440 PolarHBondContact O-N 3.13Å
437E73.7Confident71.2Confident147 Ų14771.5 Ų71.569%0.68739%0.386SS*.Hα-helixtrans-71.3-37.6-178.1-63.3-174.6176.700111.6N435 A441N435-E437 PolarHBondContact O-N 3.27Å; N435-E437 VanDerWaalsContact O-N 3.17Å; E437-A441 WeakPolarHBondContact O-CB 3.35Å; E437-A441 PolarHBondContact O-N 2.7Å; E437-A441 VanDerWaalsContact O-N 3.1Å
438A69.6Low69.1Low52 Ų5275.4 Ų75.443%0.4341%0.411SS..Hα-helixtrans-72-3717600000112.2N435 A441 N442N435-A438 PolarHBondContact O-N 3.35Å; N435-A438 VanDerWaalsContact O-N 3.12Å; A438-A441 PolarHBondContact O-N 2.61Å; A438-N442 PolarHBondContact O-N 3.4Å; A438-N442 VanDerWaalsContact O-N 3.09Å
439L65.9Low67.2Low83 Ų8378.1 Ų78.144%0.43543%0.425SS..Hα-helixtrans-65.9-43.2175.8-69.2170.9000111.5T432 N435 A441 N442 D443T432-L439 HydrophobicContact CG2-CD1 4.15Å; N435-L439 WeakPolarHBondContact O-CG 3.41Å; N435-L439 PolarHBondContact O-N 3.45Å; L439-A441 VanDerWaalsContact C-N 3.33Å; L439-A441 PolarHBondContact O-N 3.18Å; L439-N442 PolarHBondContact O-N 2.95Å; L439-D443 PolarHBondContact O-N 3.38Å; L439-D443 VanDerWaalsContact O-N 3.08Å
440V68.3Low65.3Low100 Ų10084 Ų8461%0.60645%0.453SS*.Hα-helixtrans-64.1-38.6175.9171.90000111.4R436 D443 S444R436-V440 WeakPolarHBondContact O-CB 3.5Å; R436-V440 WeakPolarHBondContact O-CG2 3.37Å; R436-V440 PolarHBondContact O-N 3.13Å; V440-D443 PolarHBondContact O-N 3Å; V440-S444 PolarHBondContact O-N 3.4Å; V440-S444 PolarHBondContact O-OG 2.76Å
441A58.5Low63.2Low43 Ų4391.3 Ų91.336%0.35549%0.492SS..Hα-helixtrans-62-44.9175.800000112.3E437 A438 L439 D443 S444 E445E437-A441 WeakPolarHBondContact O-CB 3.35Å; E437-A441 PolarHBondContact O-N 2.7Å; E437-A441 VanDerWaalsContact O-N 3.1Å; A438-A441 PolarHBondContact O-N 2.61Å; L439-A441 VanDerWaalsContact C-N 3.33Å; L439-A441 PolarHBondContact O-N 3.18Å; A441-D443 PolarHBondContact O-N 3.18Å; A441-S444 WeakPolarHBondContact CA-OG 3.34Å; A441-S444 PolarHBondContact O-N 2.95Å; A441-S444 PolarHBondContact O-OG 3.41Å; A441-E445 PolarHBondContact O-N 3.1Å
442N55.4Low61.1Low87 Ų8793.7 Ų93.747%0.46551%0.513SS..Hα-helixtrans-65.8-36.8178.3-72.1-16.6000113A438 L439 E445 N446A438-N442 PolarHBondContact O-N 3.4Å; A438-N442 VanDerWaalsContact O-N 3.09Å; L439-N442 PolarHBondContact O-N 2.95Å; N442-E445 PolarHBondContact O-N 3.37Å; N442-N446 PolarHBondContact O-N 3Å; N442-N446 PolarHBondContact O-ND2 3.22Å
443D56.3Low58.8Low115 Ų11599.5 Ų99.562%0.61555%0.548SS*.Hα-helixtrans-69.1-36.3175.5-82.6-12.5000111.8L439 V440 A441 S447L439-D443 PolarHBondContact O-N 3.38Å; L439-D443 VanDerWaalsContact O-N 3.08Å; V440-D443 PolarHBondContact O-N 3Å; A441-D443 PolarHBondContact O-N 3.18Å; D443-S447 WeakPolarHBondContact O-CB 3.25Å; D443-S447 PolarHBondContact O-N 3.08Å; D443-S447 VanDerWaalsContact O-N 3.09Å
444S51.8Low57.4Low59 Ų59103.1 Ų103.141%0.41357%0.57SS.*Hα-helixtrans-68-37.5173.948.80000113V440 A441 S447 T448V440-S444 PolarHBondContact O-N 3.4Å; V440-S444 PolarHBondContact O-OG 2.76Å; A441-S444 WeakPolarHBondContact CA-OG 3.34Å; A441-S444 PolarHBondContact O-N 2.95Å; A441-S444 PolarHBondContact O-OG 3.41Å; S444-S447 PolarHBondContact O-N 2.92Å; S444-S447 PolarHBondContact O-OG 3.43Å; S444-T448 PolarHBondContact O-N 3.11Å; S444-T448 PolarHBondContact O-OG1 3.03Å
445E48.4Very low56Low128 Ų128105.1 Ų105.160%0.59858%0.584SS**Hα-helixtrans-68.1-39.6175.4-75-173.8168.600112.1A441 N442 S447 T448A441-E445 PolarHBondContact O-N 3.1Å; N442-E445 PolarHBondContact O-N 3.37Å; E445-S447 VanDerWaalsContact C-N 3.27Å; E445-S447 PolarHBondContact O-N 3.28Å; E445-T448 WeakPolarHBondContact CA-OG1 3.27Å; E445-T448 PolarHBondContact O-N 2.77Å; E445-T448 PolarHBondContact O-OG1 3.49Å
446N47.1Very low54.6Low107 Ų107108.1 Ų108.157%0.57260%0.601SS**Hα-helixtrans-68.5-24.7174.7-76.5-33.1000113.4N442N442-N446 PolarHBondContact O-N 3Å; N442-N446 PolarHBondContact O-ND2 3.22Å
447S46.7Very low53.1Low72 Ų72108.6 Ų108.650%0.50362%0.615SS.*Hα-helixtrans-77.8-26175.574.60000113.3D443 S444 E445D443-S447 WeakPolarHBondContact O-CB 3.25Å; D443-S447 PolarHBondContact O-N 3.08Å; D443-S447 VanDerWaalsContact O-N 3.09Å; S444-S447 PolarHBondContact O-N 2.92Å; S444-S447 PolarHBondContact O-OG 3.43Å; E445-S447 VanDerWaalsContact C-N 3.27Å; E445-S447 PolarHBondContact O-N 3.28Å
448T46.1Very low51.8Low93 Ų93106.3 Ų106.357%0.57161%0.61SS**Hα-helixtrans-78.6-18.2178.1380000114.1S444 E445S444-T448 PolarHBondContact O-N 3.11Å; S444-T448 PolarHBondContact O-OG1 3.03Å; E445-T448 WeakPolarHBondContact CA-OG1 3.27Å; E445-T448 PolarHBondContact O-N 2.77Å; E445-T448 PolarHBondContact O-OG1 3.49Å
449D46.9Very low50.6Low125 Ų125109.9 Ų109.967%0.66862%0.623SS**THydrogen-bonded Turntrans-88.7-2.7178.8-79.8-15.3000113.9
450L45.1Very low49.5Very low136 Ų136111.8 Ų111.871%0.71264%0.636SS**SBendtrans-97-9.5179.3-79.6161.5000114.4
451D43Very low48.1Very low155 Ų155112.7 Ų112.783%0.82964%0.638SS**SBendtrans-97.4-0179.5-108.6-3.9000113.5
452D42Very low47.2Very low154 Ų154118.5 Ų118.582%0.82466%0.662SS**  trans-122.832.5-176-100.3-11.5000114
453T38Very low46.5Very low191 Ų191121.4 Ų121.4100%1.17268%0.68SS**  trans-132.50165.548.30000115

Retrieved 453 of 453 residues in 1475 ms (Link to these results)

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