A0A077Z457_TRITR Loading...

Innexin

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A077Z457, Species TRITR (Trichuris trichiura, Whipworm), Gene inx, Length 461 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
1M48.8Very low61.8Low193 Ų19387.1 Ų87.195%0.95143%0.432SS*.  0-58.20-143.1169.1178.400112.4F3 V4 D5M1-F3 PolarHBondContact O-N 2.8Å; M1-V4 PolarHBondContact O-N 3.27Å; M1-D5 PolarHBondContact O-N 3.27Å
2F54.6Low62.6Low187 Ų18791.8 Ų91.882%0.8245%0.448SS*.Hα-helixtrans-48.3-34.5178.9-73.7-74.5000116.9S6F2-S6 WeakPolarHBondContact O-CB 3.39Å; F2-S6 PolarHBondContact O-N 3.12Å; F2-S6 VanDerWaalsContact O-N 3.1Å; F2-S6 PolarHBondContact O-OG 3.37Å
3F56.8Low63.4Low118 Ų11889.3 Ų89.352%0.51844%0.443SS..Hα-helixtrans-67.3-45.6179.5178.3-100.1000112.3M1 S6 F7 C169M1-F3 PolarHBondContact O-N 2.8Å; F3-S6 PolarHBondContact O-N 3.48Å; F3-F7 VanDerWaalsContact O-CB 3.32Å; F3-F7 WeakPolarHBondContact O-CB 3.2Å; F3-F7 PolarHBondContact O-N 3.43Å; F3-C169 HydrophobicContact CE2-CB 4.14Å; F3-C169 WeakPolarHBondContact CE2-SG 3.36Å; F3-C169 VanDerWaalsContact CZ-SG 3.55Å
4V62.7Low64.2Low44 Ų4483.6 Ų83.627%0.26742%0.415SS..Hα-helixtrans-64.6-44.5-179.4179.40000109.3M1 S6 F7 L8M1-V4 PolarHBondContact O-N 3.27Å; V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.27Å; V4-F7 PolarHBondContact O-N 3.32Å; V4-L8 HydrophobicContact CG1-CD1 3.68Å; V4-L8 HydrophobicContact CG1-CG 4.03Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 VanDerWaalsContact O-CG 3.23Å; V4-L8 WeakPolarHBondContact O-CG 3.38Å; V4-L8 PolarHBondContact O-N 3.09Å
5D65.5Low64.8Low74 Ų7481.1 Ų81.140%0.39640%0.403SS..Hα-helixtrans-63.1-38.9177.6-62-31.2000112.3M1 K9M1-D5 PolarHBondContact O-N 3.27Å; D5-K9 VanDerWaalsContact O-CB 3.22Å; D5-K9 WeakPolarHBondContact O-CB 3.26Å; D5-K9 WeakPolarHBondContact O-CG 3.32Å; D5-K9 PolarHBondContact O-N 3.43Å
6S63.6Low65.5Low69 Ų6976 Ų7648%0.48338%0.378SS..Hα-helixtrans-68.5-39.5176.5-59.60000111.8F2 F3 V4 S10F2-S6 WeakPolarHBondContact O-CB 3.39Å; F2-S6 PolarHBondContact O-N 3.12Å; F2-S6 VanDerWaalsContact O-N 3.1Å; F2-S6 PolarHBondContact O-OG 3.37Å; F3-S6 PolarHBondContact O-N 3.48Å; V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.27Å; S6-S10 WeakPolarHBondContact O-CB 3.48Å; S6-S10 PolarHBondContact O-N 2.57Å; S6-S10 VanDerWaalsContact O-N 3.1Å
7F65Low66.6Low19 Ų1971.8 Ų71.88%0.08336%0.357CS..Hα-helixtrans-65.6-49.5175.9-179.6-105000111.2F3 V4 K9 S10 L11 P29 A33 F172F3-F7 VanDerWaalsContact O-CB 3.32Å; F3-F7 WeakPolarHBondContact O-CB 3.2Å; F3-F7 PolarHBondContact O-N 3.43Å; V4-F7 PolarHBondContact O-N 3.32Å; F7-K9 VanDerWaalsContact C-N 3.33Å; F7-K9 PolarHBondContact O-N 2.69Å; F7-S10 WeakPolarHBondContact O-CB 3.37Å; F7-S10 PolarHBondContact O-N 3.45Å; F7-S10 VanDerWaalsContact O-N 3.1Å; F7-L11 HydrophobicContact CD1-CD1 3.61Å; F7-L11 HydrophobicContact CE1-CD1 3.27Å; F7-L11 HydrophobicContact CE1-CG 4.34Å; F7-L11 HydrophobicContact CE2-CD1 4.39Å; F7-L11 HydrophobicContact CG-CD1 4.32Å; F7-L11 HydrophobicContact CZ-CD1 3.7Å; F7-L11 HydrophobicContact CZ-CG 4.4Å; F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.35Å; F7-P29 HydrophobicContact CZ-CB 4.33Å; F7-A33 HydrophobicContact CD1-CB 4.45Å; F7-A33 HydrophobicContact CE1-CB 3.9Å; F7-F172 HydrophobicContact CD2-CD1 4.19Å; F7-F172 AromaticContact CD2-CE1 3.47Å; F7-F172 HydrophobicContact CD2-CE1 3.47Å; F7-F172 VanDerWaalsContact CD2-CE1 3.47Å; F7-F172 HydrophobicContact CD2-CE2 4.03Å; F7-F172 AromaticContact CD2-CZ 3.36Å; F7-F172 HydrophobicContact CD2-CZ 3.36Å; F7-F172 HydrophobicContact CE2-CE1 4.09Å; F7-F172 AromaticContact CE2-CE2 3.78Å; F7-F172 HydrophobicContact CE2-CE2 3.78Å; F7-F172 AromaticContact CE2-CZ 3.52Å; F7-F172 HydrophobicContact CE2-CZ 3.52Å; F7-F172 HydrophobicContact CG-CE1 4.4Å; F7-F172 HydrophobicContact CG-CZ 4.45Å
8L66.5Low67.8Low70 Ų7069.1 Ų69.137%0.36634%0.344SS..Hα-helixtrans-62.9-36.5176.4-67.9177.8000112.1V4 S10 L11 I30V4-L8 HydrophobicContact CG1-CD1 3.68Å; V4-L8 HydrophobicContact CG1-CG 4.03Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 VanDerWaalsContact O-CG 3.23Å; V4-L8 WeakPolarHBondContact O-CG 3.38Å; V4-L8 PolarHBondContact O-N 3.09Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.44Å; L8-L11 HydrophobicContact CD2-CD1 4.36Å; L8-L11 CarbonylContact O-C 3.54Å; L8-L11 PolarHBondContact O-N 3.24Å; L8-I30 HydrophobicContact CD2-CG1 4.15Å
9K66.3Low68.9Low155 Ų15572 Ų7267%0.67436%0.36SS*.Hα-helixtrans-68.1-29.2174-79.7173.9-179.7179.30113.4D5 F7D5-K9 VanDerWaalsContact O-CB 3.22Å; D5-K9 WeakPolarHBondContact O-CB 3.26Å; D5-K9 WeakPolarHBondContact O-CG 3.32Å; D5-K9 PolarHBondContact O-N 3.43Å; F7-K9 VanDerWaalsContact C-N 3.33Å; F7-K9 PolarHBondContact O-N 2.69Å
10S63.5Low70.1Confident24 Ų2469.6 Ų69.617%0.16835%0.349CS..Hα-helixtrans-76.3-31.7176.4174.70000112.1S6 F7 L8 K12 F172 C176S6-S10 WeakPolarHBondContact O-CB 3.48Å; S6-S10 PolarHBondContact O-N 2.57Å; S6-S10 VanDerWaalsContact O-N 3.1Å; F7-S10 WeakPolarHBondContact O-CB 3.37Å; F7-S10 PolarHBondContact O-N 3.45Å; F7-S10 VanDerWaalsContact O-N 3.1Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.44Å; S10-K12 PolarHBondContact O-N 3.46Å; S10-F172 WeakPolarHBondContact OG-CZ 3.42Å; S10-C176 WeakPolarHBondContact OG-CB 3.38Å; S10-C176 PolarHBondContact OG-SG 3.34Å
11L66.1Low71.1Confident5 Ų566.3 Ų66.33%0.02633%0.333CS..  trans-75.479.6168.6-65.2165.7000108.2F7 L8 Y25 Y26 P29 I30 Y113F7-L11 HydrophobicContact CD1-CD1 3.61Å; F7-L11 HydrophobicContact CE1-CD1 3.27Å; F7-L11 HydrophobicContact CE1-CG 4.34Å; F7-L11 HydrophobicContact CE2-CD1 4.39Å; F7-L11 HydrophobicContact CG-CD1 4.32Å; F7-L11 HydrophobicContact CZ-CD1 3.7Å; F7-L11 HydrophobicContact CZ-CG 4.4Å; F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.35Å; L8-L11 HydrophobicContact CD2-CD1 4.36Å; L8-L11 CarbonylContact O-C 3.54Å; L8-L11 PolarHBondContact O-N 3.24Å; L11-Y25 WeakPolarHBondContact CD2-O 3.27Å; L11-Y26 HydrophobicContact CB-CD2 3.91Å; L11-Y26 HydrophobicContact CB-CE2 4.12Å; L11-Y26 WeakPolarHBondContact O-CE2 3.2Å; L11-P29 HydrophobicContact CD2-CB 4.49Å; L11-I30 HydrophobicContact CB-CD1 4.47Å; L11-I30 HydrophobicContact CD1-CD1 4.35Å; L11-I30 HydrophobicContact CD1-CG1 3.66Å; L11-Y113 HydrophobicContact CD2-CD2 3.65Å; L11-Y113 HydrophobicContact CD2-CE2 3.86Å
12K71.4Confident73.1Confident143 Ų14359.6 Ų59.662%0.62230%0.297SS*.  trans-108137162.6-75-177.7-179.5-172.90108.4S10 Q14S10-K12 PolarHBondContact O-N 3.46Å; K12-Q14 PolarHBondContact O-N 3.13Å
13P72.9Confident74.9Confident60 Ų6052 Ų5239%0.3927%0.265SS..  trans-58.2132.3171.526.4-32.9000108.2
14Q74.6Confident76.6Confident10 Ų1046.5 Ų46.55%0.04724%0.24CC..  trans-95.8159.9175.1-43.1-172.4-97.200110.6K12 D16 D17 R22 Y25 K120 Q184K12-Q14 PolarHBondContact O-N 3.13Å; Q14-D16 WeakPolarHBondContact CB-OD1 3.3Å; Q14-D17 WeakPolarHBondContact CB-OD2 3.45Å; Q14-R22 PolarHBondContact O-NE 2.79Å; Q14-R22 PolarHBondContact O-NH2 3.17Å; Q14-Y25 PolarHBondContact N-OH 2.94Å; Q14-K120 VanDerWaalsContact NE2-CE 3.27Å; Q14-Q184 VanDerWaalsContact NE2-CD 3.26Å; Q14-Q184 VanDerWaalsContact NE2-NE2 3.14Å; Q14-Q184 VanDerWaalsContact NE2-OE1 3.13Å
15N74Confident77.9Confident45 Ų4544.4 Ų44.424%0.24123%0.228CC..THydrogen-bonded Turntrans-95.5-3.7-171.5-54.1-35.3000112.5A187 M191 N407N15-A187 HydrophobicContact CB-CB 4.41Å; N15-A187 WeakPolarHBondContact O-CB 3.44Å; N15-M191 HydrophobicContact CB-CE 3.61Å; N15-M191 HydrophobicContact CB-SD 3.62Å; N15-M191 VanDerWaalsContact CG-SD 3.55Å; N15-M191 WeakPolarHBondContact ND2-CE 3.44Å; N15-M191 WeakPolarHBondContact OD1-CE 3.38Å; N15-N407 PolarHBondContact O-ND2 3.23Å
16D76.2Confident79Confident0 Ų043.5 Ų43.50%022%0.219CC..THydrogen-bonded Turntrans-936.7174.254.1-45.3000113.5Q14 W119 N181 V183 Q184 I403Q14-D16 WeakPolarHBondContact CB-OD1 3.3Å; D16-W119 PolarHBondContact OD2-NE1 2.9Å; D16-N181 PolarHBondContact OD2-ND2 3.05Å; D16-N181 PolarHBondContact OD2-OD1 3.22Å; D16-V183 HydrophobicContact CB-CB 4.36Å; D16-V183 HydrophobicContact CB-CG1 3.81Å; D16-Q184 HydrophobicContact CB-CB 4.12Å; D16-I403 WeakPolarHBondContact O-CG2 3.44Å
17D83.6Confident80.4Confident5 Ų545.8 Ų45.83%0.02722%0.218CC..SBendtrans-114.9155.7-168.9-63.7-35.5000113.1Q14 D21 R22 Y25 N407Q14-D17 WeakPolarHBondContact CB-OD2 3.45Å; D17-D21 HydrophobicContact CB-CB 4.11Å; D17-R22 HydrophobicContact CB-CG 4.41Å; D17-Y25 HydrophobicContact CB-CE1 4.23Å; D17-Y25 WeakPolarHBondContact OD2-CE1 3.38Å; D17-Y25 PolarHBondContact OD2-OH 2.83Å; D17-N407 PolarHBondContact O-ND2 2.03Å
18D87.8Confident81.8Confident23 Ų2344.9 Ų44.912%0.12321%0.214CC..  trans-83.5159.8167.8-166.8-3.3000110.4V20 D21 R22 N347 W351D18-V20 PolarHBondContact O-N 2.84Å; D18-D21 WeakPolarHBondContact CB-OD2 3.33Å; D18-D21 PolarHBondContact N-OD2 3Å; D18-D21 WeakPolarHBondContact O-CB 3.45Å; D18-D21 PolarHBondContact O-N 3.11Å; D18-R22 PolarHBondContact O-N 3.06Å; D18-R22 VanDerWaalsContact O-N 3.13Å; D18-N347 PolarHBondContact OD2-ND2 3.2Å; D18-W351 PolarHBondContact OD2-NE1 3.46Å
19I89.1Confident82.9Confident124 Ų12441.5 Ų41.564%0.63620%0.197SC*.Hα-helixtrans-56.9-37.7177.1-63.9168.3000110.5D21 R22 L23I19-D21 VanDerWaalsContact C-N 3.34Å; I19-R22 WeakPolarHBondContact O-CB 3.47Å; I19-R22 PolarHBondContact O-N 2.93Å; I19-L23 PolarHBondContact O-N 3.35Å
20V92.5Very high84.1Confident23 Ų2335.6 Ų35.614%0.13917%0.172CC..Hα-helixtrans-68.3-33.3177.7-179.40000112D18 L23 N24 I343 T344 N347D18-V20 PolarHBondContact O-N 2.84Å; V20-L23 WeakPolarHBondContact O-CB 3.32Å; V20-L23 PolarHBondContact O-N 3.01Å; V20-N24 PolarHBondContact O-N 2.81Å; V20-N24 PolarHBondContact O-ND2 3.32Å; V20-I343 HydrophobicContact CB-CG2 4.38Å; V20-I343 HydrophobicContact CG1-CG2 3.82Å; V20-I343 HydrophobicContact CG2-CG2 3.74Å; V20-T344 HydrophobicContact CG1-CG2 4.29Å; V20-N347 HydrophobicContact CB-CB 3.98Å; V20-N347 HydrophobicContact CG1-CB 3.66Å; V20-N347 HydrophobicContact CG2-CB 3.96Å
21D91.3Very high85.5Confident2 Ų236.2 Ų36.21%0.01117%0.173CC..Hα-helixtrans-66.5-44174.8-60.1-38.6000109.7D17 D18 I19 L23 N24 Y25 Y246 K250 Y253D17-D21 HydrophobicContact CB-CB 4.11Å; D18-D21 WeakPolarHBondContact CB-OD2 3.33Å; D18-D21 PolarHBondContact N-OD2 3Å; D18-D21 WeakPolarHBondContact O-CB 3.45Å; D18-D21 PolarHBondContact O-N 3.11Å; I19-D21 VanDerWaalsContact C-N 3.34Å; D21-L23 PolarHBondContact O-N 3.29Å; D21-N24 PolarHBondContact O-N 2.97Å; D21-Y25 VanDerWaalsContact C-CD1 3.45Å; D21-Y25 HydrophobicContact CB-CD1 4.37Å; D21-Y25 HydrophobicContact CB-CE1 4.19Å; D21-Y25 WeakPolarHBondContact O-CD1 3.48Å; D21-Y25 PolarHBondContact O-N 3.18Å; D21-Y25 VanDerWaalsContact O-N 3.11Å; D21-Y246 PolarHBondContact OD2-OH 3.4Å; D21-K250 IonicContact OD1-NZ 3.21Å; D21-K250 PolarHBondContact OD1-NZ 3.29Å; D21-K250 IonicContact OD2-NZ 2.79Å; D21-K250 PolarHBondContact OD2-NZ 3.38Å; D21-Y253 HydrophobicContact CB-CE2 4.32Å
22R91.3Very high86.8Confident51 Ų5136 Ų3619%0.19217%0.172CC..Hα-helixtrans-57.7-35.4174.4-63.5177.1-178.7162.57112.3Q14 D17 D18 I19 N24 Y25 Y26 Y27 N407Q14-R22 PolarHBondContact O-NE 2.79Å; Q14-R22 PolarHBondContact O-NH2 3.17Å; D17-R22 HydrophobicContact CB-CG 4.41Å; D18-R22 PolarHBondContact O-N 3.06Å; D18-R22 VanDerWaalsContact O-N 3.13Å; I19-R22 WeakPolarHBondContact O-CB 3.47Å; I19-R22 PolarHBondContact O-N 2.93Å; R22-N24 PolarHBondContact O-N 3.4Å; R22-Y25 HydrophobicContact CB-CE1 4.47Å; R22-Y25 HydrophobicContact CG-CE1 4.15Å; R22-Y26 WeakPolarHBondContact O-CA 3.45Å; R22-Y26 VanDerWaalsContact O-CB 3.25Å; R22-Y26 WeakPolarHBondContact O-CB 3.49Å; R22-Y26 PolarHBondContact O-N 3.4Å; R22-Y27 HydrophobicContact CB-CD2 4.36Å; R22-Y27 HydrophobicContact CB-CE2 4.14Å; R22-Y27 WeakPolarHBondContact O-CD2 3.37Å; R22-Y27 PolarHBondContact O-N 3.14Å; R22-N407 PolarHBondContact NH2-OD1 3.42Å
23L93.3Very high87.6Confident29 Ų2930.3 Ų30.315%0.15215%0.152CC..Iπ-helixtrans-57.2-38.8173.7-172.465000112.4I19 V20 D21 T28 W336 V340 I343I19-L23 PolarHBondContact O-N 3.35Å; V20-L23 WeakPolarHBondContact O-CB 3.32Å; V20-L23 PolarHBondContact O-N 3.01Å; D21-L23 PolarHBondContact O-N 3.29Å; L23-T28 WeakPolarHBondContact O-CB 3.46Å; L23-T28 PolarHBondContact O-N 3.05Å; L23-T28 VanDerWaalsContact O-N 3.08Å; L23-T28 PolarHBondContact O-OG1 3.13Å; L23-W336 HydrophobicContact CD1-CH2 3.92Å; L23-W336 HydrophobicContact CD1-CZ2 3.7Å; L23-V340 HydrophobicContact CD1-CG2 4.46Å; L23-V340 HydrophobicContact CD2-CG1 4.49Å; L23-V340 HydrophobicContact CD2-CG2 4.05Å; L23-V340 HydrophobicContact CG-CG2 4.08Å; L23-I343 HydrophobicContact CD2-CB 4.36Å; L23-I343 HydrophobicContact CD2-CD1 4.06Å; L23-I343 HydrophobicContact CD2-CG2 4.13Å
24N92.5Very high88.5Confident1 Ų131.8 Ų31.81%0.00516%0.155CC..Iπ-helixtrans-82.5-48.9-175.7-71.8-81.2000114V20 D21 R22 P29 Y253 V340 T344V20-N24 PolarHBondContact O-N 2.81Å; V20-N24 PolarHBondContact O-ND2 3.32Å; D21-N24 PolarHBondContact O-N 2.97Å; R22-N24 PolarHBondContact O-N 3.4Å; N24-P29 WeakPolarHBondContact O-CD 3.41Å; N24-Y253 HydrophobicContact CB-CD1 3.54Å; N24-Y253 HydrophobicContact CB-CE1 3.73Å; N24-Y253 HydrophobicContact CB-CG 4.13Å; N24-V340 WeakPolarHBondContact OD1-CG1 3.32Å; N24-T344 VanDerWaalsContact CG-CG2 3.45Å; N24-T344 WeakPolarHBondContact ND2-CG2 3.27Å; N24-T344 WeakPolarHBondContact OD1-CG2 3.28Å
25Y89.1Confident89.3Confident1 Ų133.3 Ų33.30%0.00416%0.162CC..Iπ-helixtrans-95.2-19.2-17377.6-101000113.8L11 Q14 D17 D21 R22 P29 Y113 C116 Y253L11-Y25 WeakPolarHBondContact CD2-O 3.27Å; Q14-Y25 PolarHBondContact N-OH 2.94Å; D17-Y25 HydrophobicContact CB-CE1 4.23Å; D17-Y25 WeakPolarHBondContact OD2-CE1 3.38Å; D17-Y25 PolarHBondContact OD2-OH 2.83Å; D21-Y25 VanDerWaalsContact C-CD1 3.45Å; D21-Y25 HydrophobicContact CB-CD1 4.37Å; D21-Y25 HydrophobicContact CB-CE1 4.19Å; D21-Y25 WeakPolarHBondContact O-CD1 3.48Å; D21-Y25 PolarHBondContact O-N 3.18Å; D21-Y25 VanDerWaalsContact O-N 3.11Å; R22-Y25 HydrophobicContact CB-CE1 4.47Å; R22-Y25 HydrophobicContact CG-CE1 4.15Å; Y25-P29 WeakPolarHBondContact O-CG 3.45Å; Y25-Y113 HydrophobicContact CD2-CE2 4.5Å; Y25-C116 HydrophobicContact CD1-CB 4.29Å; Y25-C116 HydrophobicContact CD2-CB 4.34Å; Y25-C116 HydrophobicContact CG-CB 3.86Å; Y25-Y253 WeakPolarHBondContact CD1-OH 3.34Å
26Y89.2Confident90.1Very high54 Ų5431.8 Ų31.821%0.21216%0.155CC..Iπ-helixtrans-109.2-65-176.3177.1-100.3000111.2L11 R22 I30L11-Y26 HydrophobicContact CB-CD2 3.91Å; L11-Y26 HydrophobicContact CB-CE2 4.12Å; L11-Y26 WeakPolarHBondContact O-CE2 3.2Å; R22-Y26 WeakPolarHBondContact O-CA 3.45Å; R22-Y26 VanDerWaalsContact O-CB 3.25Å; R22-Y26 WeakPolarHBondContact O-CB 3.49Å; R22-Y26 PolarHBondContact O-N 3.4Å; Y26-I30 HydrophobicContact CD1-CD1 4.18Å; Y26-I30 HydrophobicContact CD2-CD1 3.8Å; Y26-I30 HydrophobicContact CE1-CD1 3.93Å; Y26-I30 HydrophobicContact CE2-CD1 3.49Å; Y26-I30 VanDerWaalsContact CE2-CD1 3.49Å; Y26-I30 HydrophobicContact CG-CD1 4.12Å; Y26-I30 WeakPolarHBondContact O-CB 3.46Å; Y26-I30 WeakPolarHBondContact O-CD1 3.32Å; Y26-I30 WeakPolarHBondContact O-CG1 3.4Å; Y26-I30 PolarHBondContact O-N 3.43Å
27Y91.9Very high90.7Very high117 Ų11736.2 Ų36.246%0.45918%0.178SC..Iπ-helixtrans-67.3-47.1-174.1-67.2-71.6000113R22 I30 I31R22-Y27 HydrophobicContact CB-CD2 4.36Å; R22-Y27 HydrophobicContact CB-CE2 4.14Å; R22-Y27 WeakPolarHBondContact O-CD2 3.37Å; R22-Y27 PolarHBondContact O-N 3.14Å; Y27-I30 PolarHBondContact O-N 2.97Å; Y27-I31 VanDerWaalsContact O-CG1 3.29Å; Y27-I31 WeakPolarHBondContact O-CG1 3.35Å; Y27-I31 PolarHBondContact O-N 2.82Å
28T94.2Very high90.9Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-63-48.9-177.6-61.60000112.7L23 I30 I31 I32 F112 W336 F337L23-T28 WeakPolarHBondContact O-CB 3.46Å; L23-T28 PolarHBondContact O-N 3.05Å; L23-T28 VanDerWaalsContact O-N 3.08Å; L23-T28 PolarHBondContact O-OG1 3.13Å; T28-I30 VanDerWaalsContact C-N 3.33Å; T28-I30 PolarHBondContact O-N 3.12Å; T28-I31 PolarHBondContact O-N 2.9Å; T28-I32 HydrophobicContact CG2-CD1 3.74Å; T28-I32 HydrophobicContact CG2-CG1 4.38Å; T28-I32 VanDerWaalsContact O-CG1 3.3Å; T28-I32 WeakPolarHBondContact O-CG1 3.23Å; T28-I32 PolarHBondContact O-N 3.04Å; T28-F112 HydrophobicContact CG2-CD1 3.84Å; T28-F112 HydrophobicContact CG2-CD2 3.94Å; T28-F112 HydrophobicContact CG2-CE1 3.76Å; T28-F112 HydrophobicContact CG2-CE2 3.84Å; T28-F112 HydrophobicContact CG2-CG 3.95Å; T28-F112 HydrophobicContact CG2-CZ 3.77Å; T28-W336 PolarHBondContact OG1-NE1 3.24Å; T28-F337 HydrophobicContact CG2-CE1 4.01Å
29P91.3Very high90.9Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-59.5-37.8173.9-31.339.5000114.1F7 L11 N24 Y25 A33 A109 F112F7-P29 HydrophobicContact CZ-CB 4.33Å; L11-P29 HydrophobicContact CD2-CB 4.49Å; N24-P29 WeakPolarHBondContact O-CD 3.41Å; Y25-P29 WeakPolarHBondContact O-CG 3.45Å; P29-A33 WeakPolarHBondContact O-CB 3.43Å; P29-A33 PolarHBondContact O-N 3.22Å; P29-A109 HydrophobicContact CB-CB 4.35Å; P29-F112 HydrophobicContact CG-CB 3.61Å
30I90.5Very high90.9Very high31 Ų3133.5 Ų33.516%0.15917%0.169CC..Hα-helixtrans-62.9-48.6176.8-71.8170.9000110.3L8 L11 Y26 Y27 T28 I32 A33 I34L8-I30 HydrophobicContact CD2-CG1 4.15Å; L11-I30 HydrophobicContact CB-CD1 4.47Å; L11-I30 HydrophobicContact CD1-CD1 4.35Å; L11-I30 HydrophobicContact CD1-CG1 3.66Å; Y26-I30 HydrophobicContact CD1-CD1 4.18Å; Y26-I30 HydrophobicContact CD2-CD1 3.8Å; Y26-I30 HydrophobicContact CE1-CD1 3.93Å; Y26-I30 HydrophobicContact CE2-CD1 3.49Å; Y26-I30 VanDerWaalsContact CE2-CD1 3.49Å; Y26-I30 HydrophobicContact CG-CD1 4.12Å; Y26-I30 WeakPolarHBondContact O-CB 3.46Å; Y26-I30 WeakPolarHBondContact O-CD1 3.32Å; Y26-I30 WeakPolarHBondContact O-CG1 3.4Å; Y26-I30 PolarHBondContact O-N 3.43Å; Y27-I30 PolarHBondContact O-N 2.97Å; T28-I30 VanDerWaalsContact C-N 3.33Å; T28-I30 PolarHBondContact O-N 3.12Å; I30-I32 PolarHBondContact O-N 3.47Å; I30-A33 PolarHBondContact O-N 3.01Å; I30-I34 HydrophobicContact CG2-CD1 3.79Å; I30-I34 HydrophobicContact CG2-CG1 4.48Å; I30-I34 VanDerWaalsContact O-CG1 3.27Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 3.42Å
31I93.1Very high90.5Very high37 Ų3734.8 Ų34.819%0.1918%0.182CC..Hα-helixtrans-58.9-48.9178.9-71.1166.5000110.5Y27 T28 A33 I34 F35 F332 W336Y27-I31 VanDerWaalsContact O-CG1 3.29Å; Y27-I31 WeakPolarHBondContact O-CG1 3.35Å; Y27-I31 PolarHBondContact O-N 2.82Å; T28-I31 PolarHBondContact O-N 2.9Å; I31-A33 PolarHBondContact O-N 3.44Å; I31-I34 PolarHBondContact O-N 2.84Å; I31-F35 HydrophobicContact CG2-CD2 3.93Å; I31-F35 HydrophobicContact CG2-CE2 3.44Å; I31-F35 VanDerWaalsContact CG2-CE2 3.44Å; I31-F35 HydrophobicContact CG2-CZ 4.29Å; I31-F35 VanDerWaalsContact O-CD2 3.25Å; I31-F35 WeakPolarHBondContact O-CD2 3.35Å; I31-F35 PolarHBondContact O-N 3.22Å; I31-F35 VanDerWaalsContact O-N 3.1Å; I31-F332 HydrophobicContact CG2-CE1 3.75Å; I31-F332 HydrophobicContact CG2-CZ 4.45Å; I31-W336 HydrophobicContact CD1-CD2 4.26Å; I31-W336 HydrophobicContact CD1-CE3 4.42Å; I31-W336 HydrophobicContact CD1-CH2 3.55Å; I31-W336 HydrophobicContact CD1-CZ2 3.34Å; I31-W336 HydrophobicContact CD1-CZ3 4.09Å
32I93.1Very high90.3Very high0 Ų039.7 Ų39.70%020%0.203CC..Hα-helixtrans-64-41.4178.6-62.5168.5000111.2T28 I30 I34 F35 S36 L105 Q108 A109 F112 L333 F337T28-I32 HydrophobicContact CG2-CD1 3.74Å; T28-I32 HydrophobicContact CG2-CG1 4.38Å; T28-I32 VanDerWaalsContact O-CG1 3.3Å; T28-I32 WeakPolarHBondContact O-CG1 3.23Å; T28-I32 PolarHBondContact O-N 3.04Å; I30-I32 PolarHBondContact O-N 3.47Å; I32-I34 VanDerWaalsContact C-N 3.34Å; I32-I34 PolarHBondContact O-N 3.45Å; I32-F35 PolarHBondContact O-N 3.11Å; I32-S36 WeakPolarHBondContact O-CB 3.42Å; I32-S36 PolarHBondContact O-N 3.26Å; I32-L105 HydrophobicContact CG2-CB 3.94Å; I32-L105 HydrophobicContact CG2-CD2 4.28Å; I32-L105 WeakPolarHBondContact CG2-O 3.35Å; I32-Q108 HydrophobicContact CD1-CB 4.43Å; I32-Q108 HydrophobicContact CG2-CB 4.39Å; I32-A109 HydrophobicContact CB-CB 4.07Å; I32-A109 HydrophobicContact CG2-CB 3.9Å; I32-F112 HydrophobicContact CD1-CD2 3.69Å; I32-F112 HydrophobicContact CD1-CE2 3.79Å; I32-L333 HydrophobicContact CG1-CD2 4Å; I32-F337 HydrophobicContact CD1-CE1 3.93Å; I32-F337 HydrophobicContact CD1-CZ 3.89Å
33A89Confident89.8Confident24 Ų2438.1 Ų38.120%0.19820%0.198CC..Hα-helixtrans-64.7-37.3178.800000112.2F7 P29 I30 I31 S36 L37F7-A33 HydrophobicContact CD1-CB 4.45Å; F7-A33 HydrophobicContact CE1-CB 3.9Å; P29-A33 WeakPolarHBondContact O-CB 3.43Å; P29-A33 PolarHBondContact O-N 3.22Å; I30-A33 PolarHBondContact O-N 3.01Å; I31-A33 PolarHBondContact O-N 3.44Å; A33-S36 PolarHBondContact O-N 2.99Å; A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 PolarHBondContact O-N 3.1Å
34I90.6Very high88.9Confident90 Ų9043.9 Ų43.946%0.46222%0.219SC..Hα-helixtrans-62.4-46.9173-69.3165.7000110I30 I31 I32 L37 T38I30-I34 HydrophobicContact CG2-CD1 3.79Å; I30-I34 HydrophobicContact CG2-CG1 4.48Å; I30-I34 VanDerWaalsContact O-CG1 3.27Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 3.42Å; I31-I34 PolarHBondContact O-N 2.84Å; I32-I34 VanDerWaalsContact C-N 3.34Å; I32-I34 PolarHBondContact O-N 3.45Å; I34-L37 PolarHBondContact O-N 2.79Å; I34-T38 HydrophobicContact CG2-CG2 4.42Å; I34-T38 WeakPolarHBondContact O-CG2 3.37Å; I34-T38 PolarHBondContact O-N 3.03Å; I34-T38 PolarHBondContact O-OG1 2.92Å
35F92.4Very high88.1Confident43 Ų4350 Ų5019%0.18926%0.256CS..Hα-helixtrans-64.5-39.3177.1-67.6-46.3000113.5I31 I32 L37 T38 L39 L105 I329 F332 L333I31-F35 HydrophobicContact CG2-CD2 3.93Å; I31-F35 HydrophobicContact CG2-CE2 3.44Å; I31-F35 VanDerWaalsContact CG2-CE2 3.44Å; I31-F35 HydrophobicContact CG2-CZ 4.29Å; I31-F35 VanDerWaalsContact O-CD2 3.25Å; I31-F35 WeakPolarHBondContact O-CD2 3.35Å; I31-F35 PolarHBondContact O-N 3.22Å; I31-F35 VanDerWaalsContact O-N 3.1Å; I32-F35 PolarHBondContact O-N 3.11Å; F35-L37 VanDerWaalsContact C-N 3.31Å; F35-L37 PolarHBondContact O-N 3.34Å; F35-T38 WeakPolarHBondContact CA-OG1 3.33Å; F35-T38 PolarHBondContact O-N 3.48Å; F35-T38 PolarHBondContact O-OG1 2.79Å; F35-L39 WeakPolarHBondContact O-CB 3.48Å; F35-L39 WeakPolarHBondContact O-CG 3.21Å; F35-L39 PolarHBondContact O-N 3.14Å; F35-L105 HydrophobicContact CB-CD1 4.25Å; F35-I329 HydrophobicContact CB-CD1 4.39Å; F35-I329 HydrophobicContact CB-CG2 3.95Å; F35-I329 HydrophobicContact CD1-CD1 4.08Å; F35-I329 HydrophobicContact CD1-CG1 3.84Å; F35-I329 HydrophobicContact CD1-CG2 4.26Å; F35-I329 HydrophobicContact CD2-CG2 4.14Å; F35-I329 HydrophobicContact CE1-CG1 4.21Å; F35-I329 HydrophobicContact CG-CD1 4.49Å; F35-I329 HydrophobicContact CG-CG1 4.31Å; F35-I329 HydrophobicContact CG-CG2 3.88Å; F35-F332 AromaticContact CE2-CD1 3.39Å; F35-F332 HydrophobicContact CE2-CD1 3.39Å; F35-F332 AromaticContact CE2-CE1 3.56Å; F35-F332 HydrophobicContact CE2-CE1 3.56Å; F35-F332 HydrophobicContact CE2-CG 4.41Å; F35-F332 AromaticContact CZ-CD1 3.56Å; F35-F332 HydrophobicContact CZ-CD1 3.56Å; F35-F332 AromaticContact CZ-CE1 3.81Å; F35-F332 HydrophobicContact CZ-CE1 3.81Å; F35-F332 HydrophobicContact CZ-CG 4.2Å; F35-L333 HydrophobicContact CD2-CD2 3.99Å; F35-L333 HydrophobicContact CD2-CG 4.31Å; F35-L333 HydrophobicContact CE2-CD2 4.1Å; F35-L333 HydrophobicContact CE2-CG 4.45Å
36S90.2Very high87.5Confident13 Ų1351.6 Ų51.69%0.09127%0.273CS..Hα-helixtrans-60.4-42.4173.5177.20000111.2I32 A33 S40 P102I32-S36 WeakPolarHBondContact O-CB 3.42Å; I32-S36 PolarHBondContact O-N 3.26Å; A33-S36 PolarHBondContact O-N 2.99Å; S36-S40 WeakPolarHBondContact O-CB 3.03Å; S36-S40 PolarHBondContact O-N 3.47Å; S36-S40 PolarHBondContact O-OG 2.98Å; S36-P102 PolarHBondContact OG-O 2.93Å
37L87.9Confident87.3Confident92 Ų9254.4 Ų54.448%0.48229%0.288SS..Hα-helixtrans-68.5-43.1178.1-177.364000112.3A33 I34 F35 S40 A41A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 PolarHBondContact O-N 3.1Å; I34-L37 PolarHBondContact O-N 2.79Å; F35-L37 VanDerWaalsContact C-N 3.31Å; F35-L37 PolarHBondContact O-N 3.34Å; L37-S40 PolarHBondContact O-N 2.85Å; L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 3.33Å
38T88.3Confident87Confident65 Ų6549.9 Ų49.940%0.39927%0.273SS..Hα-helixtrans-66.3-40.9179.2530000111.9I34 F35 A41 K42I34-T38 HydrophobicContact CG2-CG2 4.42Å; I34-T38 WeakPolarHBondContact O-CG2 3.37Å; I34-T38 PolarHBondContact O-N 3.03Å; I34-T38 PolarHBondContact O-OG1 2.92Å; F35-T38 WeakPolarHBondContact CA-OG1 3.33Å; F35-T38 PolarHBondContact O-N 3.48Å; F35-T38 PolarHBondContact O-OG1 2.79Å; T38-A41 PolarHBondContact O-N 2.9Å; T38-K42 PolarHBondContact O-N 3.47Å
39L88.9Confident86.9Confident2 Ų250.1 Ų50.11%0.0127%0.274CS..Hα-helixtrans-66-41.9174.3-73.3177.1000111.9F35 A41 K42 Q43 V101 P102 L105 F325 N326 I329F35-L39 WeakPolarHBondContact O-CB 3.48Å; F35-L39 WeakPolarHBondContact O-CG 3.21Å; F35-L39 PolarHBondContact O-N 3.14Å; L39-A41 VanDerWaalsContact C-N 3.33Å; L39-A41 PolarHBondContact O-N 3.41Å; L39-K42 PolarHBondContact O-N 3.29Å; L39-Q43 WeakPolarHBondContact O-CB 3.37Å; L39-Q43 PolarHBondContact O-N 2.96Å; L39-V101 HydrophobicContact CD1-CG1 3.42Å; L39-V101 VanDerWaalsContact CD1-CG1 3.42Å; L39-P102 HydrophobicContact CB-CG 4.26Å; L39-L105 HydrophobicContact CD1-CD1 3.71Å; L39-F325 HydrophobicContact CD2-CB 3.97Å; L39-N326 WeakPolarHBondContact CD2-OD1 3.11Å; L39-I329 HydrophobicContact CD1-CD1 3.68Å; L39-I329 HydrophobicContact CD2-CD1 3.64Å; L39-I329 HydrophobicContact CG-CD1 3.52Å
40S87.5Confident87Confident29 Ų2953.9 Ų53.920%0.20329%0.292CS..Hα-helixtrans-58.9-45.3173.6-59.70000111.3S36 L37 K42 Q43 Y44 P102S36-S40 WeakPolarHBondContact O-CB 3.03Å; S36-S40 PolarHBondContact O-N 3.47Å; S36-S40 PolarHBondContact O-OG 2.98Å; L37-S40 PolarHBondContact O-N 2.85Å; S40-K42 VanDerWaalsContact C-N 3.32Å; S40-K42 PolarHBondContact O-N 3.35Å; S40-Q43 PolarHBondContact O-N 3.34Å; S40-Y44 WeakPolarHBondContact O-CD2 3.45Å; S40-Y44 PolarHBondContact O-N 3.22Å; S40-P102 WeakPolarHBondContact OG-CB 3.17Å
41A85.7Confident87.2Confident49 Ų4952.8 Ų52.841%0.40529%0.287SS..Hα-helixtrans-60.5-41.8177.900000111.7L37 T38 L39 V45L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 3.33Å; T38-A41 PolarHBondContact O-N 2.9Å; L39-A41 VanDerWaalsContact C-N 3.33Å; L39-A41 PolarHBondContact O-N 3.41Å; A41-V45 VanDerWaalsContact O-CB 3.24Å; A41-V45 WeakPolarHBondContact O-CB 3.36Å; A41-V45 PolarHBondContact O-N 3.35Å
42K85.5Confident87.2Confident106 Ų10660.2 Ų60.246%0.46131%0.313SS..Hα-helixtrans-68.2-32.9176.3-73.2-66-175-1790113.3T38 L39 S40 G46 F325T38-K42 PolarHBondContact O-N 3.47Å; L39-K42 PolarHBondContact O-N 3.29Å; S40-K42 VanDerWaalsContact C-N 3.32Å; S40-K42 PolarHBondContact O-N 3.35Å; K42-G46 WeakPolarHBondContact O-CA 3.46Å; K42-G46 PolarHBondContact O-N 2.88Å; K42-F325 HydrophobicContact CD-CE2 4.4Å; K42-F325 HydrophobicContact CD-CZ 4.4Å
43Q81Confident87.2Confident18 Ų1861.8 Ų61.88%0.08432%0.322CS..Hα-helixtrans-77-35.6179.8-174.8170.1-30.700113.3L39 S40 F70 I322L39-Q43 WeakPolarHBondContact O-CB 3.37Å; L39-Q43 PolarHBondContact O-N 2.96Å; S40-Q43 PolarHBondContact O-N 3.34Å; Q43-F70 HydrophobicContact CG-CE1 4.29Å; Q43-F70 HydrophobicContact CG-CZ 3.8Å; Q43-I322 HydrophobicContact CB-CD1 4.25Å
44Y75.2Confident87.4Confident149 Ų14962.1 Ų62.158%0.58432%0.322SS*.Hα-helixtrans-101.4-25.7-174.6-66.2-66.9000114.9S40S40-Y44 WeakPolarHBondContact O-CD2 3.45Å; S40-Y44 PolarHBondContact O-N 3.22Å
45V75.8Confident87.4Confident130 Ų13063 Ų6379%0.78834%0.342SS*.THydrogen-bonded Turntrans-103.6-27.8179.2-1730000111.3A41A41-V45 VanDerWaalsContact O-CB 3.24Å; A41-V45 WeakPolarHBondContact O-CB 3.36Å; A41-V45 PolarHBondContact O-N 3.35Å
46G77.2Confident87.3Confident35 Ų3567.1 Ų67.136%0.36136%0.363SS..SBendtrans-88.7173.417700000113.1K42 P48K42-G46 WeakPolarHBondContact O-CA 3.46Å; K42-G46 PolarHBondContact O-N 2.88Å; G46-P48 VanDerWaalsContact O-CD 3.26Å; G46-P48 WeakPolarHBondContact O-CD 3.44Å
47Q83.7Confident87.3Confident113 Ų11368.3 Ų68.353%0.52837%0.366SS..  trans-88.5102.2163-68.2175-25.800107.3I49Q47-I49 PolarHBondContact O-N 3.11Å
48P86.6Confident87.5Confident22 Ų2268 Ų6814%0.14337%0.368CS..SBendtrans-68.5-26.6-174.827.5-34.8000112.5G46 F70 M321G46-P48 VanDerWaalsContact O-CD 3.26Å; G46-P48 WeakPolarHBondContact O-CD 3.44Å; P48-F70 HydrophobicContact CB-CD2 4.05Å; P48-F70 HydrophobicContact CB-CE2 3.72Å; P48-F70 HydrophobicContact CB-CZ 4.26Å; P48-F70 HydrophobicContact CG-CD1 4.46Å; P48-F70 HydrophobicContact CG-CD2 3.81Å; P48-F70 HydrophobicContact CG-CE1 4.46Å; P48-F70 HydrophobicContact CG-CE2 3.82Å; P48-F70 HydrophobicContact CG-CG 4.15Å; P48-F70 HydrophobicContact CG-CZ 4.17Å; P48-M321 PolarHBondContact O-N 3.33Å
49I90.9Very high87.7Confident4 Ų467 Ų672%0.02137%0.37CS..  trans-139.9144-177.2-164.7170.1000109.1Q47 E66 C69 F70 T74 C318 V319 L320Q47-I49 PolarHBondContact O-N 3.11Å; I49-E66 HydrophobicContact CG2-CB 4.34Å; I49-E66 WeakPolarHBondContact CG2-O 3.46Å; I49-C69 HydrophobicContact CD1-CB 4.23Å; I49-F70 HydrophobicContact CG2-CB 3.97Å; I49-F70 HydrophobicContact CG2-CD2 4.42Å; I49-T74 HydrophobicContact CD1-CG2 4Å; I49-C318 HydrophobicContact CD1-CB 3.56Å; I49-C318 HydrophobicContact CG1-CB 3.67Å; I49-V319 WeakPolarHBondContact CA-O 3.45Å; I49-L320 HydrophobicContact CB-CD1 4.11Å; I49-L320 HydrophobicContact CD1-CD1 4.12Å; I49-L320 HydrophobicContact CG1-CD1 4.08Å
50Q93.3Very high87.9Confident80 Ų8070 Ų7037%0.37440%0.396SS..EExtended strand (participates in β ladder)trans-128.9130170.3-70.6-176.7-34.900108.8E66 C318 V319Q50-E66 WeakPolarHBondContact CA-OE1 3.45Å; Q50-C318 CarbonylContact O-C 3.52Å; Q50-C318 VanDerWaalsContact O-CA 3.31Å; Q50-C318 WeakPolarHBondContact O-CA 3.3Å; Q50-V319 PolarHBondContact N-O 3.16Å; Q50-V319 VanDerWaalsContact N-O 3.1Å; Q50-V319 PolarHBondContact O-N 2.96Å
51C95.1Very high88.1Confident8 Ų874 Ų745%0.05441%0.407CS..EExtended strand (participates in β ladder)trans-116.2136.8-171.9-65.90000112.2V53 T65 E66 V316 C318C51-V53 HydrophobicContact CB-CG1 4.45Å; C51-V53 PolarHBondContact O-N 3.5Å; C51-V53 VanDerWaalsContact O-N 3.11Å; C51-T65 HydrophobicContact CB-CG2 4.46Å; C51-E66 HydrophobicContact CB-CG 4.13Å; C51-V316 HydrophobicContact CB-CG2 4.45Å; C51-C318 HydrophobicContact CB-CB 4.13Å; C51-C318 WeakPolarHBondContact CB-SG 3.4Å; C51-C318 WeakPolarHBondContact SG-CB 3.43Å; C51-C318 CovalentContact SG-SG 2.05Å; C51-C318 PolarHBondContact SG-SG 3.21Å
52W94Very high88.4Confident193 Ų19375.6 Ų75.673%0.73141%0.406SS*.EExtended strand (participates in β ladder)trans-78.992.2173.7-74.874.9000109.7V316 Q317W52-V316 WeakPolarHBondContact O-CG1 3.38Å; W52-Q317 PolarHBondContact N-O 3.43Å
53V93.1Very high88.8Confident33 Ų3376.5 Ų76.520%0.241%0.412CS..  trans-90.7155.4178-62.20000112.1C51 F57 E62 T65C51-V53 HydrophobicContact CB-CG1 4.45Å; C51-V53 PolarHBondContact O-N 3.5Å; C51-V53 VanDerWaalsContact O-N 3.11Å; V53-F57 HydrophobicContact CB-CD2 4.04Å; V53-F57 HydrophobicContact CG1-CD2 4.38Å; V53-F57 HydrophobicContact CG2-CB 4.26Å; V53-E62 HydrophobicContact CG2-CB 3.98Å; V53-E62 HydrophobicContact CG2-CG 3.89Å; V53-T65 HydrophobicContact CG1-CG2 3.75Å
54P92.3Very high89.3Confident31 Ų3180.9 Ų80.920%0.20143%0.428CS..  trans-59.9144.9176-23.834.7000113.1Q56 F57 W314P54-Q56 HydrophobicContact CB-CG 4.33Å; P54-Q56 PolarHBondContact O-N 3.01Å; P54-F57 WeakPolarHBondContact O-CB 3.43Å; P54-F57 PolarHBondContact O-N 2.93Å; P54-W314 HydrophobicContact CG-CE3 4.23Å; P54-W314 HydrophobicContact CG-CZ3 4.19Å
55A90.9Very high90.2Very high107 Ų10773.8 Ų73.888%0.88440%0.4SS*.THydrogen-bonded Turntrans-60.8-19.3-174.200000115F57A55-F57 VanDerWaalsContact C-N 3.28Å; A55-F57 PolarHBondContact O-N 3.17Å
56Q91.2Very high90.9Very high131 Ų13168.5 Ų68.561%0.61237%0.367SS*.THydrogen-bonded Turntrans-74.7-12.8174.964.5-88.520.600114.1P54P54-Q56 HydrophobicContact CB-CG 4.33Å; P54-Q56 PolarHBondContact O-N 3.01Å
57F89Confident91.6Very high38 Ų3872 Ų7217%0.16738%0.378CS..SBendtrans-77.8129.6179.8-81.118.4000110.5V53 P54 A55 W61 F303V53-F57 HydrophobicContact CB-CD2 4.04Å; V53-F57 HydrophobicContact CG1-CD2 4.38Å; V53-F57 HydrophobicContact CG2-CB 4.26Å; P54-F57 WeakPolarHBondContact O-CB 3.43Å; P54-F57 PolarHBondContact O-N 2.93Å; A55-F57 VanDerWaalsContact C-N 3.28Å; A55-F57 PolarHBondContact O-N 3.17Å; F57-W61 HydrophobicContact CB-CB 3.81Å; F57-W61 HydrophobicContact CD2-CB 3.73Å; F57-W61 HydrophobicContact CE2-CB 4.45Å; F57-W61 HydrophobicContact CG-CB 3.84Å; F57-W61 HydrophobicContact CG-CG 4.47Å; F57-F303 HydrophobicContact CE2-CE2 4Å; F57-F303 AromaticContact CE2-CZ 3.76Å; F57-F303 HydrophobicContact CE2-CZ 3.76Å; F57-F303 HydrophobicContact CZ-CE2 4.28Å; F57-F303 HydrophobicContact CZ-CZ 4.19Å
58T92.5Very high92Very high84 Ų8469.1 Ų69.152%0.51536%0.362SS..  trans-67.5159.2170.366.60000110.2A60 W61 E62T58-A60 PolarHBondContact O-N 3.02Å; T58-W61 WeakPolarHBondContact O-CA 3.34Å; T58-W61 WeakPolarHBondContact O-CB 2.94Å; T58-W61 PolarHBondContact O-N 3.02Å; T58-W61 VanDerWaalsContact OG1-CD1 3.28Å; T58-E62 PolarHBondContact O-N 2.86Å; T58-E62 VanDerWaalsContact O-N 3.15Å
59G92.7Very high92.3Very high44 Ų4468.1 Ų68.145%0.45436%0.356SS..Hα-helixtrans-54.9-25.4176.900000115.2E62 Q63G59-E62 PolarHBondContact O-N 2.75Å; G59-Q63 WeakPolarHBondContact O-CG 3.4Å; G59-Q63 PolarHBondContact O-N 3.4Å; G59-Q63 VanDerWaalsContact O-N 3.07Å
60A92.5Very high92.2Very high67 Ų6769.7 Ų69.755%0.55436%0.363SS*.Hα-helixtrans-68.8-36.2172.600000113.1T58 Y64T58-A60 PolarHBondContact O-N 3.02Å; A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.4Å
61W92.1Very high92Very high112 Ų11270.5 Ų70.542%0.42437%0.373SS..Hα-helixtrans-72.8-32.8175.1-79.9109.1000111.7F57 T58 Y64 T65 V305F57-W61 HydrophobicContact CB-CB 3.81Å; F57-W61 HydrophobicContact CD2-CB 3.73Å; F57-W61 HydrophobicContact CE2-CB 4.45Å; F57-W61 HydrophobicContact CG-CB 3.84Å; F57-W61 HydrophobicContact CG-CG 4.47Å; T58-W61 WeakPolarHBondContact O-CA 3.34Å; T58-W61 WeakPolarHBondContact O-CB 2.94Å; T58-W61 PolarHBondContact O-N 3.02Å; T58-W61 VanDerWaalsContact OG1-CD1 3.28Å; W61-Y64 HydrophobicContact CE3-CD1 4.11Å; W61-Y64 HydrophobicContact CZ3-CD1 4.2Å; W61-Y64 HydrophobicContact CZ3-CE1 4.41Å; W61-Y64 PolarHBondContact O-N 3.33Å; W61-T65 WeakPolarHBondContact O-CB 3.47Å; W61-T65 PolarHBondContact O-N 3.4Å; W61-T65 PolarHBondContact O-OG1 2.93Å; W61-V305 HydrophobicContact CH2-CG1 4.13Å; W61-V305 HydrophobicContact CZ3-CG1 4.27Å
62E92.9Very high91.6Very high82 Ų8275 Ų7538%0.38339%0.393SS..Hα-helixtrans-61.2-54.2171.1-174.5178.2-179.300110.4V53 T58 G59 Y64 T65 E66V53-E62 HydrophobicContact CG2-CB 3.98Å; V53-E62 HydrophobicContact CG2-CG 3.89Å; T58-E62 PolarHBondContact O-N 2.86Å; T58-E62 VanDerWaalsContact O-N 3.15Å; G59-E62 PolarHBondContact O-N 2.75Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 3.47Å; E62-T65 WeakPolarHBondContact O-CB 3.41Å; E62-T65 PolarHBondContact O-N 3.43Å; E62-T65 VanDerWaalsContact O-N 3.09Å; E62-E66 WeakPolarHBondContact O-CG 3.34Å; E62-E66 PolarHBondContact O-N 2.97Å
63Q92.4Very high91.3Very high126 Ų12668.1 Ų68.159%0.58937%0.37SS*.Hα-helixtrans-60.4-37.2176.6-71.4-179.4-7.500113.1G59 N67G59-Q63 WeakPolarHBondContact O-CG 3.4Å; G59-Q63 PolarHBondContact O-N 3.4Å; G59-Q63 VanDerWaalsContact O-N 3.07Å; Q63-N67 WeakPolarHBondContact O-CB 3.23Å; Q63-N67 VanDerWaalsContact O-CG 3.31Å; Q63-N67 PolarHBondContact O-N 2.87Å; Q63-N67 VanDerWaalsContact O-N 3.07Å; Q63-N67 PolarHBondContact O-ND2 3.32Å
64Y92.2Very high91.2Very high109 Ų10966.8 Ų66.843%0.42736%0.363SS..Hα-helixtrans-62.9-48173.7173.4-96.1000111.2A60 W61 E62 E66 N67 Y68A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.4Å; W61-Y64 HydrophobicContact CE3-CD1 4.11Å; W61-Y64 HydrophobicContact CZ3-CD1 4.2Å; W61-Y64 HydrophobicContact CZ3-CE1 4.41Å; W61-Y64 PolarHBondContact O-N 3.33Å; E62-Y64 VanDerWaalsContact C-N 3.3Å; E62-Y64 PolarHBondContact O-N 3.47Å; Y64-E66 PolarHBondContact O-N 3.46Å; Y64-N67 PolarHBondContact O-N 3.09Å; Y64-Y68 VanDerWaalsContact O-CB 3.25Å; Y64-Y68 WeakPolarHBondContact O-CB 3.17Å; Y64-Y68 PolarHBondContact O-N 3.13Å
65T93Very high91.1Very high0 Ų065.7 Ų65.70%035%0.354CS..Hα-helixtrans-60.1-46.4179.1-55.10000111.1C51 V53 W61 E62 N67 Y68 C69 F303 V316C51-T65 HydrophobicContact CB-CG2 4.46Å; V53-T65 HydrophobicContact CG1-CG2 3.75Å; W61-T65 WeakPolarHBondContact O-CB 3.47Å; W61-T65 PolarHBondContact O-N 3.4Å; W61-T65 PolarHBondContact O-OG1 2.93Å; E62-T65 WeakPolarHBondContact O-CB 3.41Å; E62-T65 PolarHBondContact O-N 3.43Å; E62-T65 VanDerWaalsContact O-N 3.09Å; T65-N67 PolarHBondContact O-N 3.36Å; T65-Y68 PolarHBondContact O-N 2.99Å; T65-C69 VanDerWaalsContact O-CB 3.32Å; T65-C69 WeakPolarHBondContact O-CB 3.29Å; T65-C69 PolarHBondContact O-N 3.36Å; T65-C69 PolarHBondContact O-SG 2.84Å; T65-F303 HydrophobicContact CG2-CD1 3.91Å; T65-F303 HydrophobicContact CG2-CE1 3.62Å; T65-F303 HydrophobicContact CG2-CZ 4.03Å; T65-V316 HydrophobicContact CG2-CG2 3.92Å
66E92.5Very high91Very high20 Ų2061.9 Ų61.99%0.09332%0.318CS..Hα-helixtrans-59.9-47.3178-71.1178.5155.800112.3I49 Q50 C51 E62 Y64 F70I49-E66 HydrophobicContact CG2-CB 4.34Å; I49-E66 WeakPolarHBondContact CG2-O 3.46Å; Q50-E66 WeakPolarHBondContact CA-OE1 3.45Å; C51-E66 HydrophobicContact CB-CG 4.13Å; E62-E66 WeakPolarHBondContact O-CG 3.34Å; E62-E66 PolarHBondContact O-N 2.97Å; Y64-E66 PolarHBondContact O-N 3.46Å; E66-F70 WeakPolarHBondContact O-CB 3.43Å; E66-F70 PolarHBondContact O-N 2.92Å
67N90.8Very high90.8Very high108 Ų10856.3 Ų56.358%0.57829%0.292SS*.Hα-helixtrans-66.7-39.9178.2-74.2-44.5000112.2Q63 Y64 T65 F70 V71Q63-N67 WeakPolarHBondContact O-CB 3.23Å; Q63-N67 VanDerWaalsContact O-CG 3.31Å; Q63-N67 PolarHBondContact O-N 2.87Å; Q63-N67 VanDerWaalsContact O-N 3.07Å; Q63-N67 PolarHBondContact O-ND2 3.32Å; Y64-N67 PolarHBondContact O-N 3.09Å; T65-N67 PolarHBondContact O-N 3.36Å; N67-F70 PolarHBondContact O-N 3.17Å; N67-V71 WeakPolarHBondContact O-CG2 3.47Å; N67-V71 PolarHBondContact O-N 3.14Å; N67-V71 VanDerWaalsContact O-N 3.15Å
68Y92.6Very high90.6Very high53 Ų5357.8 Ų57.821%0.20830%0.3CS..Hα-helixtrans-61.8-51.1176.8-176.3-83.6000110.6Y64 T65 F70 V71 Q72 F303Y64-Y68 VanDerWaalsContact O-CB 3.25Å; Y64-Y68 WeakPolarHBondContact O-CB 3.17Å; Y64-Y68 PolarHBondContact O-N 3.13Å; T65-Y68 PolarHBondContact O-N 2.99Å; Y68-F70 VanDerWaalsContact C-N 3.28Å; Y68-F70 PolarHBondContact O-N 3.47Å; Y68-V71 PolarHBondContact O-N 3.34Å; Y68-Q72 HydrophobicContact CD1-CB 4.11Å; Y68-Q72 HydrophobicContact CD1-CG 4.02Å; Y68-Q72 HydrophobicContact CD2-CG 4.27Å; Y68-Q72 HydrophobicContact CE1-CB 3.79Å; Y68-Q72 HydrophobicContact CE1-CG 3.62Å; Y68-Q72 HydrophobicContact CE2-CG 3.91Å; Y68-Q72 HydrophobicContact CG-CG 4.32Å; Y68-Q72 WeakPolarHBondContact O-CB 3.26Å; Y68-Q72 PolarHBondContact O-N 3.02Å; Y68-F303 HydrophobicContact CD1-CB 3.46Å; Y68-F303 VanDerWaalsContact CD1-CB 3.46Å; Y68-F303 HydrophobicContact CE1-CB 3.36Å; Y68-F303 HydrophobicContact CG-CB 4.31Å
69C92.4Very high90.1Very high1 Ų158.7 Ų58.71%0.00730%0.301CS..Hα-helixtrans-63.6-32.5179.6-70.10000112.9I49 T65 V71 C301I49-C69 HydrophobicContact CD1-CB 4.23Å; T65-C69 VanDerWaalsContact O-CB 3.32Å; T65-C69 WeakPolarHBondContact O-CB 3.29Å; T65-C69 PolarHBondContact O-N 3.36Å; T65-C69 PolarHBondContact O-SG 2.84Å; C69-V71 VanDerWaalsContact C-N 3.34Å; C69-C301 WeakPolarHBondContact CA-SG 3.3Å; C69-C301 HydrophobicContact CB-CB 3.68Å; C69-C301 WeakPolarHBondContact CB-SG 3.35Å; C69-C301 WeakPolarHBondContact SG-CB 3.31Å; C69-C301 CovalentContact SG-SG 2.03Å; C69-C301 PolarHBondContact SG-SG 3.12Å
70F89.2Confident89.6Confident37 Ų3762.5 Ų62.516%0.16232%0.315CS..Hα-helixtrans-67.1-35.3173.2-172.3-110.4000112.6Q43 P48 I49 E66 N67 Y68 Q99Q43-F70 HydrophobicContact CG-CE1 4.29Å; Q43-F70 HydrophobicContact CG-CZ 3.8Å; P48-F70 HydrophobicContact CB-CD2 4.05Å; P48-F70 HydrophobicContact CB-CE2 3.72Å; P48-F70 HydrophobicContact CB-CZ 4.26Å; P48-F70 HydrophobicContact CG-CD1 4.46Å; P48-F70 HydrophobicContact CG-CD2 3.81Å; P48-F70 HydrophobicContact CG-CE1 4.46Å; P48-F70 HydrophobicContact CG-CE2 3.82Å; P48-F70 HydrophobicContact CG-CG 4.15Å; P48-F70 HydrophobicContact CG-CZ 4.17Å; I49-F70 HydrophobicContact CG2-CB 3.97Å; I49-F70 HydrophobicContact CG2-CD2 4.42Å; E66-F70 WeakPolarHBondContact O-CB 3.43Å; E66-F70 PolarHBondContact O-N 2.92Å; N67-F70 PolarHBondContact O-N 3.17Å; Y68-F70 VanDerWaalsContact C-N 3.28Å; Y68-F70 PolarHBondContact O-N 3.47Å; F70-Q99 PolarHBondContact O-NE2 3.33Å
71V89.1Confident89.2Confident96 Ų9664.2 Ų64.258%0.58231%0.312SS*.Hα-helixtrans-84.9-38.7-177.6174.30000112.7N67 Y68 C69 N73 Q99N67-V71 WeakPolarHBondContact O-CG2 3.47Å; N67-V71 PolarHBondContact O-N 3.14Å; N67-V71 VanDerWaalsContact O-N 3.15Å; Y68-V71 PolarHBondContact O-N 3.34Å; C69-V71 VanDerWaalsContact C-N 3.34Å; V71-N73 VanDerWaalsContact C-N 3.29Å; V71-N73 PolarHBondContact O-N 3.47Å; V71-Q99 VanDerWaalsContact C-NE2 3.35Å; V71-Q99 PolarHBondContact O-NE2 3.44Å
72Q86Confident88.9Confident103 Ų10363.2 Ų63.248%0.48133%0.327SS..SBendtrans-89.415.2-172.8-72.1-76.85.400114.4Y68Y68-Q72 HydrophobicContact CD1-CB 4.11Å; Y68-Q72 HydrophobicContact CD1-CG 4.02Å; Y68-Q72 HydrophobicContact CD2-CG 4.27Å; Y68-Q72 HydrophobicContact CE1-CB 3.79Å; Y68-Q72 HydrophobicContact CE1-CG 3.62Å; Y68-Q72 HydrophobicContact CE2-CG 3.91Å; Y68-Q72 HydrophobicContact CG-CG 4.32Å; Y68-Q72 WeakPolarHBondContact O-CB 3.26Å; Y68-Q72 PolarHBondContact O-N 3.02Å
73N87.2Confident88.6Confident48 Ų4862.2 Ų62.226%0.25732%0.324SS..  trans61.6167.4-174-50.6-40.3000113.5V71 E94 G96V71-N73 VanDerWaalsContact C-N 3.29Å; V71-N73 PolarHBondContact O-N 3.47Å; N73-E94 HydrophobicContact CB-CB 4.43Å; N73-G96 WeakPolarHBondContact OD1-CA 3.47Å
74T91Very high88.4Confident6 Ų657.1 Ų57.14%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-136149.6179.860.80000108.8I49 I95 T299 M300 C301I49-T74 HydrophobicContact CD1-CG2 4Å; T74-I95 PolarHBondContact O-N 3.49Å; T74-T299 WeakPolarHBondContact CB-OG1 3.36Å; T74-T299 PolarHBondContact OG1-OG1 2.96Å; T74-M300 WeakPolarHBondContact CA-O 3.21Å; T74-C301 HydrophobicContact CG2-CB 4.27Å
75Y91.1Very high88.1Confident7 Ų759.5 Ų59.53%0.02732%0.32CS..EExtended strand (participates in β ladder)trans-109.8151.8177.364.9-87.8000111.7I83 R90 R93 T299 M300 D302Y75-I83 WeakPolarHBondContact OH-CG2 3.39Å; Y75-R90 HydrophobicContact CD1-CB 4.23Å; Y75-R90 HydrophobicContact CD2-CB 4.48Å; Y75-R90 HydrophobicContact CE1-CB 4.22Å; Y75-R90 HydrophobicContact CE1-CG 4.48Å; Y75-R90 HydrophobicContact CE2-CB 4.46Å; Y75-R90 HydrophobicContact CE2-CG 4.28Å; Y75-R90 HydrophobicContact CG-CB 4.37Å; Y75-R93 WeakPolarHBondContact CA-O 3.44Å; Y75-R93 WeakPolarHBondContact CB-O 3.41Å; Y75-T299 WeakPolarHBondContact O-CA 3.33Å; Y75-M300 HydrophobicContact CD1-CB 4.28Å; Y75-M300 WeakPolarHBondContact CD1-O 3.03Å; Y75-M300 HydrophobicContact CD2-CB 4.06Å; Y75-M300 HydrophobicContact CE1-CB 3.73Å; Y75-M300 HydrophobicContact CE2-CB 3.5Å; Y75-M300 VanDerWaalsContact CE2-CB 3.5Å; Y75-M300 HydrophobicContact CE2-CG 4.07Å; Y75-M300 HydrophobicContact CG-CB 4.42Å; Y75-M300 PolarHBondContact N-O 3.01Å; Y75-M300 PolarHBondContact O-N 3.4Å; Y75-M300 WeakPolarHBondContact OH-CB 3.35Å; Y75-D302 PolarHBondContact OH-OD1 2.97Å
76F88.8Confident87.8Confident28 Ų2865.3 Ų65.312%0.12335%0.347CS..  trans-98.2134.9176.4172.3-115.6000111.6Q78 R93 I95 W289 P296F76-Q78 HydrophobicContact CE1-CG 4.31Å; F76-Q78 HydrophobicContact CZ-CG 4.12Å; F76-R93 PolarHBondContact N-O 3.22Å; F76-I95 HydrophobicContact CB-CD1 3.67Å; F76-W289 HydrophobicContact CE2-CE3 4Å; F76-W289 AromaticContact CE2-CZ3 3.76Å; F76-W289 HydrophobicContact CE2-CZ3 3.76Å; F76-W289 HydrophobicContact CZ-CE3 4.47Å; F76-P296 HydrophobicContact CB-CB 4.09Å; F76-P296 HydrophobicContact CB-CG 3.77Å; F76-P296 HydrophobicContact CD1-CB 4.34Å; F76-P296 HydrophobicContact CD1-CG 4.44Å; F76-P296 HydrophobicContact CD2-CB 3.22Å; F76-P296 HydrophobicContact CD2-CG 3.91Å; F76-P296 HydrophobicContact CE2-CB 3.68Å; F76-P296 HydrophobicContact CG-CB 3.61Å; F76-P296 HydrophobicContact CG-CG 3.77Å; F76-P296 HydrophobicContact CZ-CB 4.38Å
77L87Confident87.5Confident13 Ų1369.5 Ų69.57%0.06836%0.363CS..  trans-135.9136.2172.8-172.167.4000108.1H81 I83L77-H81 HydrophobicContact CD1-CB 3.87Å; L77-H81 HydrophobicContact CG-CB 4.16Å; L77-I83 HydrophobicContact CD2-CB 4.35Å; L77-I83 HydrophobicContact CD2-CG1 4.01Å
78Q84.7Confident87.3Confident69 Ų6969.1 Ų69.132%0.32236%0.361SS..  trans-64.7137.2171.2-67.8179-1000109.3F76 T80 H81F76-Q78 HydrophobicContact CE1-CG 4.31Å; F76-Q78 HydrophobicContact CZ-CG 4.12Å; Q78-T80 PolarHBondContact O-N 3.46Å; Q78-H81 PolarHBondContact O-N 3.15Å; Q78-H81 PolarHBondContact OE1-CE1 3.33Å; Q78-H81 PolarHBondContact OE1-ND1 3.5Å
79L81.5Confident87Confident104 Ų10470.4 Ų70.455%0.54537%0.369SS..THydrogen-bonded Turntrans-60.7-18.7-174.2-74.382.5000113.7W289 Q290L79-W289 HydrophobicContact CD1-CH2 4.31Å; L79-Q290 HydrophobicContact CD1-CG 4.49Å
80T82.5Confident86.7Confident123 Ų12371.3 Ų71.376%0.75537%0.372SS*.THydrogen-bonded Turntrans-80.7-16.8177.451.80000113.9Q78Q78-T80 PolarHBondContact O-N 3.46Å
81H83.9Confident86.5Confident104 Ų10473.3 Ų73.348%0.48138%0.384SS..SBendtrans-94.8139.2-176.7-71.774.9000111.1L77 Q78L77-H81 HydrophobicContact CD1-CB 3.87Å; L77-H81 HydrophobicContact CG-CB 4.16Å; Q78-H81 PolarHBondContact O-N 3.15Å; Q78-H81 PolarHBondContact OE1-CE1 3.33Å; Q78-H81 PolarHBondContact OE1-ND1 3.5Å
82A85.6Confident86.3Confident90 Ų9078.7 Ų78.774%0.74439%0.394SS*.PPolyproline II helixtrans-65.7147.917000000110.5P84A82-P84 WeakPolarHBondContact O-CD 3.41Å
83I87.4Confident86.1Confident62 Ų6278.7 Ų78.732%0.31839%0.39SS..PPolyproline II helixtrans-66.4122.2177.6-52175.2000108.4Y75 L77 I85Y75-I83 WeakPolarHBondContact OH-CG2 3.39Å; L77-I83 HydrophobicContact CD2-CB 4.35Å; L77-I83 HydrophobicContact CD2-CG1 4.01Å; I83-I85 PolarHBondContact O-N 2.94Å
84P88.3Confident86Confident19 Ų1980.4 Ų80.412%0.12340%0.396CS..PPolyproline II helixtrans-55.6136.1-180-25.934.3000111.7A82 E86 E89 R90A82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-E86 VanDerWaalsContact C-N 3.31Å; P84-E89 HydrophobicContact CB-CB 4.05Å; P84-E89 WeakPolarHBondContact CB-OE2 3.3Å; P84-E89 HydrophobicContact CG-CB 4.38Å; P84-R90 VanDerWaalsContact O-CZ 3.22Å; P84-R90 PolarHBondContact O-NE 3.42Å; P84-R90 PolarHBondContact O-NH2 2.94Å
85I85.5Confident85.6Confident159 Ų15981.3 Ų81.382%0.81540%0.401SS*.SBendtrans-71.3-35.2176.9-59.5171000109.8I83I83-I85 PolarHBondContact O-N 2.94Å
86E87.6Confident85.2Confident121 Ų12182.1 Ų82.157%0.56541%0.411SS*.SBendtrans-78.4122.7-178.9-153.5163.3-142.700110.3P84 D88 E89P84-E86 VanDerWaalsContact C-N 3.31Å; E86-D88 VanDerWaalsContact C-N 3.35Å; E86-E89 PolarHBondContact O-N 3.18Å
87Y84.8Confident84.9Confident109 Ų10982.6 Ų82.643%0.42741%0.412SS..Hα-helixtrans-69.6-33.2-174.9-64.1-60.4000112.5E89 R90 D91Y87-E89 PolarHBondContact O-N 3.35Å; Y87-E89 VanDerWaalsContact O-N 3.13Å; Y87-R90 WeakPolarHBondContact O-CA 3.5Å; Y87-R90 WeakPolarHBondContact O-CB 3.44Å; Y87-R90 PolarHBondContact O-N 2.71Å; Y87-D91 PolarHBondContact O-N 3.33Å
88D87Confident84.7Confident100 Ų10082.4 Ų82.454%0.53541%0.411SS..Hα-helixtrans-56.5-32.3177.1-68.4-1.1000112.7E86 R92E86-D88 VanDerWaalsContact C-N 3.35Å; D88-R92 VanDerWaalsContact O-CG 3.25Å; D88-R92 WeakPolarHBondContact O-CG 3.07Å; D88-R92 PolarHBondContact O-N 3.47Å
89E86.6Confident84.6Confident79 Ų7981.2 Ų81.237%0.36941%0.405SS..Hα-helixtrans-72-32.4175.3-68.2-160.3167.200113P84 E86 Y87 R93P84-E89 HydrophobicContact CB-CB 4.05Å; P84-E89 WeakPolarHBondContact CB-OE2 3.3Å; P84-E89 HydrophobicContact CG-CB 4.38Å; E86-E89 PolarHBondContact O-N 3.18Å; Y87-E89 PolarHBondContact O-N 3.35Å; Y87-E89 VanDerWaalsContact O-N 3.13Å; E89-R93 WeakPolarHBondContact O-CG 3.5Å
90R86.5Confident84.8Confident21 Ų2181.8 Ų81.88%0.07940%0.4CS..Hα-helixtrans-70.6-45.8176.3-57-175.5-172.9-171.91.7109.8Y75 P84 Y87 R92 R93 E94 D302 T315Y75-R90 HydrophobicContact CD1-CB 4.23Å; Y75-R90 HydrophobicContact CD2-CB 4.48Å; Y75-R90 HydrophobicContact CE1-CB 4.22Å; Y75-R90 HydrophobicContact CE1-CG 4.48Å; Y75-R90 HydrophobicContact CE2-CB 4.46Å; Y75-R90 HydrophobicContact CE2-CG 4.28Å; Y75-R90 HydrophobicContact CG-CB 4.37Å; P84-R90 VanDerWaalsContact O-CZ 3.22Å; P84-R90 PolarHBondContact O-NE 3.42Å; P84-R90 PolarHBondContact O-NH2 2.94Å; Y87-R90 WeakPolarHBondContact O-CA 3.5Å; Y87-R90 WeakPolarHBondContact O-CB 3.44Å; Y87-R90 PolarHBondContact O-N 2.71Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 2.92Å; R90-R93 CarbonylContact O-C 3.59Å; R90-R93 WeakPolarHBondContact O-CA 3.28Å; R90-R93 PolarHBondContact O-N 3.43Å; R90-E94 PolarHBondContact O-N 3.13Å; R90-D302 VanDerWaalsContact CD-OD2 3.24Å; R90-D302 WeakPolarHBondContact CD-OD2 3.13Å; R90-D302 IonicContact CZ-OD2 3.7Å; R90-D302 IonicContact NE-OD2 3.89Å; R90-D302 IonicContact NH1-OD1 3.29Å; R90-D302 PolarHBondContact NH1-OD1 3.36Å; R90-D302 IonicContact NH1-OD2 2.74Å; R90-D302 PolarHBondContact NH1-OD2 3.24Å; R90-T315 VanDerWaalsContact NH1-CG2 3.33Å
91D84.3Confident85.1Confident78 Ų7876 Ų7642%0.41737%0.365SS..Hα-helixtrans-60.7-39.1-179.8-64.68.7000111.3Y87 R93 E94Y87-D91 PolarHBondContact O-N 3.33Å; D91-R93 PolarHBondContact O-N 3Å; D91-E94 WeakPolarHBondContact O-CB 3.49Å; D91-E94 WeakPolarHBondContact O-CG 3.44Å; D91-E94 PolarHBondContact O-N 3.33Å
92R84.4Confident85.2Confident209 Ų20971.2 Ų71.279%0.78934%0.342SS*.THydrogen-bonded Turntrans-65.1-21175.1-75.2174.9-171.7179.57.2114.3D88 R90D88-R92 VanDerWaalsContact O-CG 3.25Å; D88-R92 WeakPolarHBondContact O-CG 3.07Å; D88-R92 PolarHBondContact O-N 3.47Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 2.92Å
93R83.2Confident85.2Confident104 Ų10470.5 Ų70.539%0.39232%0.323SS..THydrogen-bonded Turntrans-101.16.1-179.8-63.6178.1-166.8-162.87.1112.3Y75 F76 E89 R90 D91Y75-R93 WeakPolarHBondContact CA-O 3.44Å; Y75-R93 WeakPolarHBondContact CB-O 3.41Å; F76-R93 PolarHBondContact N-O 3.22Å; E89-R93 WeakPolarHBondContact O-CG 3.5Å; R90-R93 CarbonylContact O-C 3.59Å; R90-R93 WeakPolarHBondContact O-CA 3.28Å; R90-R93 PolarHBondContact O-N 3.43Å; D91-R93 PolarHBondContact O-N 3Å
94E84.3Confident85.3Confident83 Ų8369 Ų6939%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-63.9139.7178-77.4-178.1-169.100112.5N73 R90 D91N73-E94 HydrophobicContact CB-CB 4.43Å; R90-E94 PolarHBondContact O-N 3.13Å; D91-E94 WeakPolarHBondContact O-CB 3.49Å; D91-E94 WeakPolarHBondContact O-CG 3.44Å; D91-E94 PolarHBondContact O-N 3.33Å
95I83.7Confident85.4Confident26 Ų2668 Ų6813%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-118.496.9180-48.8175.9000108.1T74 F76 Y97 Y98 P296T74-I95 PolarHBondContact O-N 3.49Å; F76-I95 HydrophobicContact CB-CD1 3.67Å; I95-Y97 HydrophobicContact CG2-CD1 3.31Å; I95-Y97 HydrophobicContact CG2-CE1 3.13Å; I95-Y97 HydrophobicContact CG2-CG 4.36Å; I95-Y98 HydrophobicContact CB-CE2 3.86Å; I95-Y98 HydrophobicContact CG2-CD2 4.13Å; I95-Y98 HydrophobicContact CG2-CE2 3.28Å; I95-Y98 WeakPolarHBondContact CG2-OH 3.48Å; I95-P296 HydrophobicContact CD1-CG 3.53Å
96G81.8Confident85.4Confident23 Ų2362.3 Ų62.324%0.23729%0.286CS..  trans-106.46.4-178.700000115.4N73 Y98N73-G96 WeakPolarHBondContact OD1-CA 3.47Å; G96-Y98 VanDerWaalsContact C-N 3.34Å; G96-Y98 PolarHBondContact O-N 3.36Å
97Y82.6Confident85.4Confident39 Ų3958.3 Ų58.315%0.15327%0.268CS..  trans-73.3-25.8-172.870.5-105.6000113.3I95 Q99 W100 V101 F267 F295I95-Y97 HydrophobicContact CG2-CD1 3.31Å; I95-Y97 HydrophobicContact CG2-CE1 3.13Å; I95-Y97 HydrophobicContact CG2-CG 4.36Å; Y97-Q99 VanDerWaalsContact C-N 3.27Å; Y97-Q99 PolarHBondContact O-N 2.85Å; Y97-W100 PolarHBondContact O-N 2.93Å; Y97-V101 HydrophobicContact CD2-CG2 3.99Å; Y97-V101 HydrophobicContact CE2-CG2 4.49Å; Y97-V101 PolarHBondContact O-N 3.27Å; Y97-F267 AromaticContact CD2-CE1 3.9Å; Y97-F267 HydrophobicContact CD2-CE1 3.9Å; Y97-F267 HydrophobicContact CD2-CZ 4.04Å; Y97-F267 HydrophobicContact CG-CE1 4.35Å; Y97-F267 HydrophobicContact CG-CZ 4.24Å; Y97-F267 WeakPolarHBondContact O-CZ 3.47Å; Y97-F295 WeakPolarHBondContact OH-CD1 3.34Å
98Y82.3Confident85.7Confident9 Ų953.2 Ų53.24%0.03525%0.248CC..G310 helixtrans-55.8-38.9-172.9-54.7-62.7000113.7I95 G96 W100 V101 L320 N323 N326I95-Y98 HydrophobicContact CB-CE2 3.86Å; I95-Y98 HydrophobicContact CG2-CD2 4.13Å; I95-Y98 HydrophobicContact CG2-CE2 3.28Å; I95-Y98 WeakPolarHBondContact CG2-OH 3.48Å; G96-Y98 VanDerWaalsContact C-N 3.34Å; G96-Y98 PolarHBondContact O-N 3.36Å; Y98-W100 PolarHBondContact O-N 3.41Å; Y98-V101 PolarHBondContact O-N 2.98Å; Y98-L320 HydrophobicContact CD1-CD2 4.28Å; Y98-L320 HydrophobicContact CD2-CD2 3.64Å; Y98-L320 HydrophobicContact CE1-CD2 3.93Å; Y98-L320 HydrophobicContact CE2-CD2 3.23Å; Y98-L320 HydrophobicContact CG-CD2 4.14Å; Y98-N323 HydrophobicContact CE1-CB 4.33Å; Y98-N323 WeakPolarHBondContact CE1-OD1 3.31Å; Y98-N323 PolarHBondContact OH-ND2 2.79Å; Y98-N326 WeakPolarHBondContact CD1-ND2 3.39Å
99Q82.6Confident85.8Confident44 Ų4448.6 Ų48.621%0.20622%0.223CC..G310 helixtrans-61.5-29.5179.7-61.1173.4-9.700112.5F70 V71 Y97F70-Q99 PolarHBondContact O-NE2 3.33Å; V71-Q99 VanDerWaalsContact C-NE2 3.35Å; V71-Q99 PolarHBondContact O-NE2 3.44Å; Y97-Q99 VanDerWaalsContact C-N 3.27Å; Y97-Q99 PolarHBondContact O-N 2.85Å
100W86.8Confident85.7Confident116 Ų11645.7 Ų45.744%0.43921%0.209SC..G310 helixtrans-95.9-13.1-173-60.998.1000113.7Y97 Y98 F103 I104 V161 F267Y97-W100 PolarHBondContact O-N 2.93Å; Y98-W100 PolarHBondContact O-N 3.41Å; W100-F103 PolarHBondContact O-N 2.82Å; W100-I104 HydrophobicContact CB-CD1 3.78Å; W100-I104 HydrophobicContact CB-CG1 4.42Å; W100-I104 WeakPolarHBondContact O-CG1 3.25Å; W100-I104 PolarHBondContact O-N 3.34Å; W100-V161 HydrophobicContact CE3-CG2 4.46Å; W100-V161 HydrophobicContact CZ3-CB 3.97Å; W100-V161 HydrophobicContact CZ3-CG1 4.26Å; W100-V161 HydrophobicContact CZ3-CG2 3.95Å; W100-F267 HydrophobicContact CB-CE2 4.25Å; W100-F267 HydrophobicContact CB-CZ 4.38Å
101V87.6Confident85.8Confident2 Ų246.5 Ų46.51%0.01222%0.215CC..Hα-helixtrans-52.3-54-174.3173.10000112.6L39 Y97 Y98 F103 I104 L105 F267 Y330L39-V101 HydrophobicContact CD1-CG1 3.42Å; L39-V101 VanDerWaalsContact CD1-CG1 3.42Å; Y97-V101 HydrophobicContact CD2-CG2 3.99Å; Y97-V101 HydrophobicContact CE2-CG2 4.49Å; Y97-V101 PolarHBondContact O-N 3.27Å; Y98-V101 PolarHBondContact O-N 2.98Å; V101-F103 VanDerWaalsContact C-N 3.31Å; V101-F103 PolarHBondContact O-N 2.69Å; V101-I104 PolarHBondContact O-N 2.92Å; V101-L105 HydrophobicContact CG1-CD1 4.09Å; V101-L105 HydrophobicContact CG1-CG 4.39Å; V101-L105 WeakPolarHBondContact O-CG 3.31Å; V101-L105 PolarHBondContact O-N 3.37Å; V101-F267 HydrophobicContact CG2-CE1 3.86Å; V101-F267 HydrophobicContact CG2-CZ 3.95Å; V101-Y330 HydrophobicContact CG1-CE2 4.23Å; V101-Y330 WeakPolarHBondContact CG1-OH 3.2Å; V101-Y330 HydrophobicContact CG2-CE2 4.31Å; V101-Y330 WeakPolarHBondContact CG2-OH 3.47Å
102P86Confident86.1Confident2 Ų242.8 Ų42.81%0.01320%0.195CC..Hα-helixtrans-66.3-36-174.1-17.731.9000112.4S36 L39 S40 A106S36-P102 PolarHBondContact OG-O 2.93Å; L39-P102 HydrophobicContact CB-CG 4.26Å; S40-P102 WeakPolarHBondContact OG-CB 3.17Å; P102-A106 WeakPolarHBondContact O-CB 3.33Å; P102-A106 PolarHBondContact O-N 2.69Å
103F87Confident86.3Confident75 Ų7532.9 Ų32.933%0.32916%0.158SC..Hα-helixtrans-67.2-41.9178-61.6-62.6000112W100 V101 A106 L107 L165W100-F103 PolarHBondContact O-N 2.82Å; V101-F103 VanDerWaalsContact C-N 3.31Å; V101-F103 PolarHBondContact O-N 2.69Å; F103-A106 PolarHBondContact O-N 2.91Å; F103-L107 WeakPolarHBondContact O-CB 3.33Å; F103-L107 PolarHBondContact O-N 2.91Å; F103-L165 HydrophobicContact CB-CD1 4.03Å; F103-L165 HydrophobicContact CD1-CD1 3.78Å; F103-L165 HydrophobicContact CG-CD1 4.3Å
104I88.7Confident86.3Confident30 Ų3030.8 Ų30.815%0.15415%0.154CC..Hα-helixtrans-67.2-45.1177.5-71.2168.3000110.1W100 V101 A106 L107 Q108 L263 F267W100-I104 HydrophobicContact CB-CD1 3.78Å; W100-I104 HydrophobicContact CB-CG1 4.42Å; W100-I104 WeakPolarHBondContact O-CG1 3.25Å; W100-I104 PolarHBondContact O-N 3.34Å; V101-I104 PolarHBondContact O-N 2.92Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 3.49Å; I104-L107 WeakPolarHBondContact O-CB 3.49Å; I104-L107 PolarHBondContact O-N 3.41Å; I104-L107 VanDerWaalsContact O-N 3.14Å; I104-Q108 HydrophobicContact CG2-CG 4.3Å; I104-Q108 VanDerWaalsContact O-CG 3.31Å; I104-Q108 WeakPolarHBondContact O-CG 3.34Å; I104-Q108 PolarHBondContact O-N 3.33Å; I104-L263 HydrophobicContact CG2-CD2 3.79Å; I104-F267 HydrophobicContact CD1-CD2 3.37Å; I104-F267 HydrophobicContact CD1-CE1 4.42Å; I104-F267 HydrophobicContact CD1-CE2 3.03Å; I104-F267 HydrophobicContact CD1-CG 4.17Å; I104-F267 HydrophobicContact CD1-CZ 3.6Å; I104-F267 HydrophobicContact CG1-CE2 4.49Å
105L90Very high86.5Confident0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-59-42.6175.1-67.8-179.7000111.7I32 F35 L39 V101 L107 Q108 A109 Y330 L333I32-L105 HydrophobicContact CG2-CB 3.94Å; I32-L105 HydrophobicContact CG2-CD2 4.28Å; I32-L105 WeakPolarHBondContact CG2-O 3.35Å; F35-L105 HydrophobicContact CB-CD1 4.25Å; L39-L105 HydrophobicContact CD1-CD1 3.71Å; V101-L105 HydrophobicContact CG1-CD1 4.09Å; V101-L105 HydrophobicContact CG1-CG 4.39Å; V101-L105 WeakPolarHBondContact O-CG 3.31Å; V101-L105 PolarHBondContact O-N 3.37Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.86Å; L105-Q108 PolarHBondContact O-N 3.02Å; L105-A109 PolarHBondContact O-N 2.8Å; L105-Y330 HydrophobicContact CD2-CE1 4.35Å; L105-L333 HydrophobicContact CD2-CD1 3.59Å
106A86Confident86.5Confident39 Ų3925.8 Ų25.832%0.32213%0.13SC..Hα-helixtrans-60.8-41.6175.500000112.3P102 F103 I104 A109 F110P102-A106 WeakPolarHBondContact O-CB 3.33Å; P102-A106 PolarHBondContact O-N 2.69Å; F103-A106 PolarHBondContact O-N 2.91Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 3.49Å; A106-A109 PolarHBondContact O-N 3.2Å; A106-F110 PolarHBondContact O-N 2.71Å; A106-F110 VanDerWaalsContact O-N 3.17Å
107L86.9Confident86.4Confident36 Ų3624.9 Ų24.919%0.18812%0.12CC..Hα-helixtrans-62.9-44.1173.8173.663.4000111.8F103 I104 L105 A109 F110 L111 I164 L165F103-L107 WeakPolarHBondContact O-CB 3.33Å; F103-L107 PolarHBondContact O-N 2.91Å; I104-L107 WeakPolarHBondContact O-CB 3.49Å; I104-L107 PolarHBondContact O-N 3.41Å; I104-L107 VanDerWaalsContact O-N 3.14Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.86Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 2.9Å; L107-F110 PolarHBondContact O-N 3.18Å; L107-L111 HydrophobicContact CD1-CD1 4.19Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CG-CD1 4.06Å; L107-L111 HydrophobicContact CG-CG 4.5Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.48Å; L107-I164 HydrophobicContact CD1-CG2 4.46Å; L107-L165 HydrophobicContact CB-CD2 4.18Å
108Q91.1Very high86.2Confident3 Ų325.1 Ų25.11%0.01412%0.124CC..Hα-helixtrans-60.1-44.8176.8-67.5-170.8-41.500111.3I32 I104 L105 F110 L111 F112 L263I32-Q108 HydrophobicContact CD1-CB 4.43Å; I32-Q108 HydrophobicContact CG2-CB 4.39Å; I104-Q108 HydrophobicContact CG2-CG 4.3Å; I104-Q108 VanDerWaalsContact O-CG 3.31Å; I104-Q108 WeakPolarHBondContact O-CG 3.34Å; I104-Q108 PolarHBondContact O-N 3.33Å; L105-Q108 PolarHBondContact O-N 3.02Å; Q108-F110 VanDerWaalsContact C-N 3.3Å; Q108-F110 PolarHBondContact O-N 2.93Å; Q108-L111 PolarHBondContact O-N 3.01Å; Q108-F112 WeakPolarHBondContact O-CD2 3.32Å; Q108-F112 PolarHBondContact O-N 3.46Å; Q108-L263 HydrophobicContact CG-CD2 4Å
109A89Confident86.2Confident2 Ų224.9 Ų24.92%0.01712%0.123CC..Hα-helixtrans-57.8-42.4176.600000112.1P29 I32 L105 A106 L107 Y113P29-A109 HydrophobicContact CB-CB 4.35Å; I32-A109 HydrophobicContact CB-CB 4.07Å; I32-A109 HydrophobicContact CG2-CB 3.9Å; L105-A109 PolarHBondContact O-N 2.8Å; A106-A109 PolarHBondContact O-N 3.2Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 2.9Å; A109-Y113 PolarHBondContact O-N 3.22Å
110F85.5Confident85.8Confident18 Ų1823.8 Ų23.88%0.07912%0.117CC..Hα-helixtrans-64.3-44.6175.5173.5-95.3000112.3A106 L107 Q108 F112 Y113 L114 Q168 L171 F172A106-F110 PolarHBondContact O-N 2.71Å; A106-F110 VanDerWaalsContact O-N 3.17Å; L107-F110 PolarHBondContact O-N 3.18Å; Q108-F110 VanDerWaalsContact C-N 3.3Å; Q108-F110 PolarHBondContact O-N 2.93Å; F110-F112 VanDerWaalsContact C-N 3.32Å; F110-F112 PolarHBondContact O-N 2.88Å; F110-Y113 WeakPolarHBondContact O-CB 3.42Å; F110-Y113 PolarHBondContact O-N 3.11Å; F110-L114 HydrophobicContact CE1-CD1 4.43Å; F110-L114 PolarHBondContact O-N 3.33Å; F110-Q168 HydrophobicContact CD1-CB 4.19Å; F110-Q168 HydrophobicContact CD1-CG 3.85Å; F110-Q168 HydrophobicContact CD2-CB 4.29Å; F110-Q168 HydrophobicContact CE1-CB 4.05Å; F110-Q168 HydrophobicContact CE1-CG 3.55Å; F110-Q168 HydrophobicContact CE2-CB 4.13Å; F110-Q168 HydrophobicContact CG-CB 4.32Å; F110-Q168 HydrophobicContact CG-CG 4.46Å; F110-Q168 HydrophobicContact CZ-CB 4.01Å; F110-Q168 HydrophobicContact CZ-CG 3.91Å; F110-L171 HydrophobicContact CZ-CD2 4.43Å; F110-F172 HydrophobicContact CD2-CB 4.44Å; F110-F172 AromaticContact CD2-CD2 3.92Å; F110-F172 HydrophobicContact CD2-CD2 3.92Å; F110-F172 HydrophobicContact CE2-CB 4.07Å; F110-F172 AromaticContact CE2-CD2 3.93Å; F110-F172 HydrophobicContact CE2-CD2 3.93Å; F110-F172 HydrophobicContact CE2-CG 4.47Å
111L88.8Confident85Confident38 Ų3819.3 Ų19.320%0.19910%0.102CC..Hα-helixtrans-64.1-34.8-179.7-70.7172000112.5L107 Q108 Y113 L114 P115 N256 Q260L107-L111 HydrophobicContact CD1-CD1 4.19Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CG-CD1 4.06Å; L107-L111 HydrophobicContact CG-CG 4.5Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.48Å; Q108-L111 PolarHBondContact O-N 3.01Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 PolarHBondContact O-N 3.03Å; L111-L114 HydrophobicContact CD2-CD1 4.19Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.34Å; L111-L114 PolarHBondContact O-N 3.17Å; L111-P115 WeakPolarHBondContact O-CD 3.49Å; L111-N256 PolarHBondContact O-OD1 3.18Å; L111-Q260 VanDerWaalsContact CD1-NE2 3.29Å
112F90.9Very high84.1Confident0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-63.9-28.7171.5-90.9-79.8000114T28 P29 I32 Q108 F110 N256 V257 Q260 F337T28-F112 HydrophobicContact CG2-CD1 3.84Å; T28-F112 HydrophobicContact CG2-CD2 3.94Å; T28-F112 HydrophobicContact CG2-CE1 3.76Å; T28-F112 HydrophobicContact CG2-CE2 3.84Å; T28-F112 HydrophobicContact CG2-CG 3.95Å; T28-F112 HydrophobicContact CG2-CZ 3.77Å; P29-F112 HydrophobicContact CG-CB 3.61Å; I32-F112 HydrophobicContact CD1-CD2 3.69Å; I32-F112 HydrophobicContact CD1-CE2 3.79Å; Q108-F112 WeakPolarHBondContact O-CD2 3.32Å; Q108-F112 PolarHBondContact O-N 3.46Å; F110-F112 VanDerWaalsContact C-N 3.32Å; F110-F112 PolarHBondContact O-N 2.88Å; F112-N256 WeakPolarHBondContact CA-ND2 3.31Å; F112-N256 WeakPolarHBondContact CD1-ND2 3.27Å; F112-N256 WeakPolarHBondContact CG-ND2 3.39Å; F112-V257 HydrophobicContact CE1-CG2 3.83Å; F112-Q260 HydrophobicContact CD2-CG 3.91Å; F112-Q260 HydrophobicContact CE2-CB 3.75Å; F112-Q260 HydrophobicContact CE2-CG 3.42Å; F112-Q260 VanDerWaalsContact CE2-CG 3.42Å; F112-Q260 HydrophobicContact CZ-CB 3.93Å; F112-Q260 HydrophobicContact CZ-CG 3.8Å; F112-F337 HydrophobicContact CE2-CD1 4.27Å; F112-F337 AromaticContact CE2-CE1 3.48Å; F112-F337 HydrophobicContact CE2-CE1 3.48Å; F112-F337 VanDerWaalsContact CE2-CE1 3.48Å; F112-F337 AromaticContact CE2-CZ 3.69Å; F112-F337 HydrophobicContact CE2-CZ 3.69Å; F112-F337 AromaticContact CZ-CD1 3.87Å; F112-F337 HydrophobicContact CZ-CD1 3.87Å; F112-F337 AromaticContact CZ-CE1 3.54Å; F112-F337 HydrophobicContact CZ-CE1 3.54Å; F112-F337 HydrophobicContact CZ-CZ 4.11Å
113Y86.7Confident83.1Confident1 Ų121.3 Ų21.30%0.00411%0.114CC..Hα-helixtrans-79.1-19.5174.7-172.9-99.6000113.4L11 Y25 A109 F110 L111 C116 L117 K120 F172L11-Y113 HydrophobicContact CD2-CD2 3.65Å; L11-Y113 HydrophobicContact CD2-CE2 3.86Å; Y25-Y113 HydrophobicContact CD2-CE2 4.5Å; A109-Y113 PolarHBondContact O-N 3.22Å; F110-Y113 WeakPolarHBondContact O-CB 3.42Å; F110-Y113 PolarHBondContact O-N 3.11Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 PolarHBondContact O-N 3.03Å; Y113-C116 WeakPolarHBondContact O-CB 3.4Å; Y113-C116 PolarHBondContact O-N 2.95Å; Y113-L117 HydrophobicContact CD1-CB 4.33Å; Y113-L117 HydrophobicContact CE1-CB 4.32Å; Y113-L117 HydrophobicContact CE1-CD1 4.2Å; Y113-L117 PolarHBondContact O-N 3.36Å; Y113-L117 VanDerWaalsContact O-N 3.17Å; Y113-K120 PolarHBondContact OH-NZ 3.41Å; Y113-K120 VanDerWaalsContact OH-NZ 3.15Å; Y113-F172 AromaticContact CD1-CD2 3.95Å; Y113-F172 HydrophobicContact CD1-CD2 3.95Å; Y113-F172 AromaticContact CD1-CE2 3.35Å; Y113-F172 HydrophobicContact CD1-CE2 3.35Å; Y113-F172 HydrophobicContact CD1-CZ 4.35Å; Y113-F172 HydrophobicContact CD2-CE2 4.46Å; Y113-F172 HydrophobicContact CE1-CD2 4.08Å; Y113-F172 AromaticContact CE1-CE2 3.44Å; Y113-F172 HydrophobicContact CE1-CE2 3.44Å; Y113-F172 VanDerWaalsContact CE1-CE2 3.44Å; Y113-F172 HydrophobicContact CE1-CZ 4.16Å; Y113-F172 AromaticContact CG-CE2 3.88Å; Y113-F172 HydrophobicContact CG-CE2 3.88Å
114L85.2Confident81.8Confident61 Ų6119.5 Ų19.532%0.31911%0.105SC..Hα-helixtrans-59.2-41.4-171.5-171.2156.5000114.3F110 L111 C116 L117 I118F110-L114 HydrophobicContact CE1-CD1 4.43Å; F110-L114 PolarHBondContact O-N 3.33Å; L111-L114 HydrophobicContact CD2-CD1 4.19Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.34Å; L111-L114 PolarHBondContact O-N 3.17Å; L114-C116 PolarHBondContact O-N 3.28Å; L114-L117 VanDerWaalsContact O-CB 3.25Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 3.33Å; L114-I118 HydrophobicContact CD2-CD1 3.44Å; L114-I118 VanDerWaalsContact CD2-CD1 3.44Å; L114-I118 HydrophobicContact CD2-CG1 4.06Å; L114-I118 WeakPolarHBondContact O-CG1 3.16Å; L114-I118 PolarHBondContact O-N 3.05Å
115P87.2Confident80.3Confident3 Ų323.1 Ų23.12%0.01912%0.117CC..Hα-helixtrans-63.8-37.7177.9-22.634000113.4L111 L117 I118 W119 I249 L252 Y253 N256L111-P115 WeakPolarHBondContact O-CD 3.49Å; P115-L117 VanDerWaalsContact C-N 3.31Å; P115-L117 PolarHBondContact O-N 3.06Å; P115-I118 PolarHBondContact O-N 3.13Å; P115-W119 PolarHBondContact O-N 3.49Å; P115-I249 HydrophobicContact CB-CG2 4.4Å; P115-L252 HydrophobicContact CB-CB 4.06Å; P115-L252 HydrophobicContact CG-CB 4.32Å; P115-Y253 HydrophobicContact CB-CD1 3.69Å; P115-Y253 HydrophobicContact CB-CE1 3.57Å; P115-Y253 HydrophobicContact CB-CG 4.24Å; P115-Y253 HydrophobicContact CG-CD1 3.76Å; P115-Y253 HydrophobicContact CG-CE1 3.95Å; P115-N256 HydrophobicContact CG-CB 4.3Å
116C84.1Confident78.6Confident0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-62.3-40.5173.7177.70000111.3Y25 Y113 L114 I118 W119 K120 Y253Y25-C116 HydrophobicContact CD1-CB 4.29Å; Y25-C116 HydrophobicContact CD2-CB 4.34Å; Y25-C116 HydrophobicContact CG-CB 3.86Å; Y113-C116 WeakPolarHBondContact O-CB 3.4Å; Y113-C116 PolarHBondContact O-N 2.95Å; L114-C116 PolarHBondContact O-N 3.28Å; C116-I118 VanDerWaalsContact C-N 3.33Å; C116-I118 PolarHBondContact O-N 2.86Å; C116-W119 WeakPolarHBondContact O-CB 3.48Å; C116-W119 PolarHBondContact O-N 3.2Å; C116-K120 WeakPolarHBondContact O-CG 3.35Å; C116-K120 PolarHBondContact O-N 3.11Å; C116-Y253 WeakPolarHBondContact CB-OH 3.29Å
117L78.8Confident76.8Confident5 Ų523.9 Ų23.93%0.02613%0.125CC..Hα-helixtrans-59.7-43.7174.7-171.664000112Y113 L114 P115 W119 K120 L121 L175Y113-L117 HydrophobicContact CD1-CB 4.33Å; Y113-L117 HydrophobicContact CE1-CB 4.32Å; Y113-L117 HydrophobicContact CE1-CD1 4.2Å; Y113-L117 PolarHBondContact O-N 3.36Å; Y113-L117 VanDerWaalsContact O-N 3.17Å; L114-L117 VanDerWaalsContact O-CB 3.25Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 3.33Å; P115-L117 VanDerWaalsContact C-N 3.31Å; P115-L117 PolarHBondContact O-N 3.06Å; L117-W119 VanDerWaalsContact C-N 3.35Å; L117-K120 PolarHBondContact O-N 3.23Å; L117-L121 HydrophobicContact CG-CD1 4.11Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CD1 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.26Å; L117-L121 PolarHBondContact O-N 3.49Å; L117-L175 HydrophobicContact CD1-CB 3.44Å; L117-L175 VanDerWaalsContact CD1-CB 3.44Å; L117-L175 HydrophobicContact CD1-CD1 3.69Å; L117-L175 HydrophobicContact CD1-CG 4.15Å; L117-L175 HydrophobicContact CD2-CD1 3.48Å; L117-L175 VanDerWaalsContact CD2-CD1 3.48Å; L117-L175 HydrophobicContact CG-CB 4.47Å; L117-L175 HydrophobicContact CG-CD1 3.82Å
118I80.1Confident74.9Confident44 Ų4425.8 Ų25.823%0.22613%0.132CC..Hα-helixtrans-62.7-41.9175.2-64.7173.3000110.7L114 P115 C116 K120 L121 T122 I249 L252L114-I118 HydrophobicContact CD2-CD1 3.44Å; L114-I118 VanDerWaalsContact CD2-CD1 3.44Å; L114-I118 HydrophobicContact CD2-CG1 4.06Å; L114-I118 WeakPolarHBondContact O-CG1 3.16Å; L114-I118 PolarHBondContact O-N 3.05Å; P115-I118 PolarHBondContact O-N 3.13Å; C116-I118 VanDerWaalsContact C-N 3.33Å; C116-I118 PolarHBondContact O-N 2.86Å; I118-K120 PolarHBondContact O-N 3.41Å; I118-L121 PolarHBondContact O-N 2.93Å; I118-T122 HydrophobicContact CG2-CG2 3.94Å; I118-T122 WeakPolarHBondContact O-CB 3.47Å; I118-T122 VanDerWaalsContact O-CG2 3.31Å; I118-T122 WeakPolarHBondContact O-CG2 3.46Å; I118-T122 PolarHBondContact O-N 3.45Å; I118-T122 PolarHBondContact O-OG1 3.43Å; I118-I249 HydrophobicContact CB-CD1 4.09Å; I118-I249 HydrophobicContact CG2-CD1 3.72Å; I118-L252 HydrophobicContact CD1-CD1 3.82Å; I118-L252 HydrophobicContact CG2-CD1 4.41Å
119W81.9Confident72.7Confident4 Ų431.2 Ų31.22%0.01516%0.156CC..Hα-helixtrans-57.7-45.8176.4175.1-112.9000112.4D16 P115 C116 L117 T122 N123 N181 V242 L245 Y246 I249D16-W119 PolarHBondContact OD2-NE1 2.9Å; P115-W119 PolarHBondContact O-N 3.49Å; C116-W119 WeakPolarHBondContact O-CB 3.48Å; C116-W119 PolarHBondContact O-N 3.2Å; L117-W119 VanDerWaalsContact C-N 3.35Å; W119-T122 PolarHBondContact O-OG1 3.29Å; W119-N123 WeakPolarHBondContact CH2-ND2 3.33Å; W119-N123 VanDerWaalsContact CZ2-ND2 3.29Å; W119-N123 WeakPolarHBondContact CZ2-ND2 3.39Å; W119-N123 WeakPolarHBondContact CZ3-ND2 3.42Å; W119-N123 PolarHBondContact O-N 3.03Å; W119-N123 VanDerWaalsContact O-N 3.13Å; W119-N123 PolarHBondContact O-ND2 2.7Å; W119-N181 PolarHBondContact NE1-ND2 3.13Å; W119-N181 VanDerWaalsContact NE1-ND2 3.12Å; W119-V242 HydrophobicContact CH2-CG1 4.25Å; W119-L245 HydrophobicContact CE3-CD2 4.34Å; W119-L245 HydrophobicContact CE3-CG 4.17Å; W119-L245 HydrophobicContact CZ3-CB 4.29Å; W119-L245 HydrophobicContact CZ3-CD2 4.07Å; W119-L245 HydrophobicContact CZ3-CG 3.93Å; W119-Y246 HydrophobicContact CE3-CD2 4.45Å; W119-Y246 AromaticContact CH2-CD2 3.82Å; W119-Y246 HydrophobicContact CH2-CD2 3.82Å; W119-Y246 HydrophobicContact CH2-CG 4.27Å; W119-Y246 HydrophobicContact CZ2-CD2 4.09Å; W119-Y246 HydrophobicContact CZ3-CD2 4.01Å; W119-Y246 HydrophobicContact CZ3-CG 4.36Å; W119-I249 HydrophobicContact CB-CD1 4.23Å; W119-I249 HydrophobicContact CB-CG1 3.93Å; W119-I249 HydrophobicContact CB-CG2 4.2Å; W119-I249 HydrophobicContact CD2-CG1 4.33Å; W119-I249 HydrophobicContact CE3-CB 4.42Å; W119-I249 HydrophobicContact CE3-CG1 3.65Å; W119-I249 HydrophobicContact CG-CG1 4.49Å
120K74.1Confident70.3Confident20 Ų2040.9 Ų40.99%0.08719%0.192CC..Hα-helixtrans-62.5-46.9176.9-67.8178.1-172.4-174.30111.7Q14 Y113 C116 L117 I118 W124Q14-K120 VanDerWaalsContact NE2-CE 3.27Å; Y113-K120 PolarHBondContact OH-NZ 3.41Å; Y113-K120 VanDerWaalsContact OH-NZ 3.15Å; C116-K120 WeakPolarHBondContact O-CG 3.35Å; C116-K120 PolarHBondContact O-N 3.11Å; L117-K120 PolarHBondContact O-N 3.23Å; I118-K120 PolarHBondContact O-N 3.41Å; K120-W124 WeakPolarHBondContact O-CB 3.21Å; K120-W124 PolarHBondContact O-N 2.9Å
121L69.7Low68.2Low22 Ų2248.1 Ų48.112%0.11522%0.224CC..Hα-helixtrans-63.8-45.7-178.1-72.2164.1000112.1L117 I118 Y125 M148 L175 M179L117-L121 HydrophobicContact CG-CD1 4.11Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CD1 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.26Å; L117-L121 PolarHBondContact O-N 3.49Å; I118-L121 PolarHBondContact O-N 2.93Å; L121-Y125 WeakPolarHBondContact O-CD2 3.42Å; L121-Y125 PolarHBondContact O-N 3.41Å; L121-M148 HydrophobicContact CD1-CE 3.55Å; L121-M148 HydrophobicContact CD1-SD 3.69Å; L121-L175 HydrophobicContact CD1-CD2 4.32Å; L121-L175 HydrophobicContact CD2-CD2 3.84Å; L121-M179 HydrophobicContact CD2-CE 3.6Å; L121-M179 HydrophobicContact CD2-SD 3.54Å; L121-M179 VanDerWaalsContact CD2-SD 3.54Å; L121-M179 HydrophobicContact CG-CE 4.26Å; L121-M179 HydrophobicContact CG-SD 4.37Å
122T67.9Low65.7Low42 Ų4256.2 Ų56.226%0.25826%0.257SS..Hα-helixtrans-73.4-42.3-174.450.70000112.7I118 W119 Y125 L245I118-T122 HydrophobicContact CG2-CG2 3.94Å; I118-T122 WeakPolarHBondContact O-CB 3.47Å; I118-T122 VanDerWaalsContact O-CG2 3.31Å; I118-T122 WeakPolarHBondContact O-CG2 3.46Å; I118-T122 PolarHBondContact O-N 3.45Å; I118-T122 PolarHBondContact O-OG1 3.43Å; W119-T122 PolarHBondContact O-OG1 3.29Å; T122-Y125 PolarHBondContact O-N 3.05Å; T122-L245 HydrophobicContact CG2-CD1 4.39Å
123N65.2Low63.3Low5 Ų560.3 Ų60.33%0.02728%0.279CS..Hα-helixtrans-71.1-32.2177.3-77.7-70.5000113.4W119 Y125 S126 N181 L245W119-N123 WeakPolarHBondContact CH2-ND2 3.33Å; W119-N123 VanDerWaalsContact CZ2-ND2 3.29Å; W119-N123 WeakPolarHBondContact CZ2-ND2 3.39Å; W119-N123 WeakPolarHBondContact CZ3-ND2 3.42Å; W119-N123 PolarHBondContact O-N 3.03Å; W119-N123 VanDerWaalsContact O-N 3.13Å; W119-N123 PolarHBondContact O-ND2 2.7Å; N123-Y125 VanDerWaalsContact C-N 3.29Å; N123-Y125 PolarHBondContact O-N 2.96Å; N123-S126 VanDerWaalsContact O-CB 3.28Å; N123-S126 WeakPolarHBondContact O-CB 3.12Å; N123-S126 PolarHBondContact O-N 3.2Å; N123-S126 VanDerWaalsContact O-N 3.14Å; N123-N181 HydrophobicContact CB-CB 3.55Å; N123-L245 WeakPolarHBondContact OD1-CD2 3.48Å
124W61.1Low61Low37 Ų3764.3 Ų64.314%0.1431%0.305CS..Hα-helixtrans-63.9-36.7175.6175.288.1000112K120 S126 G127 K128 A141 M179K120-W124 WeakPolarHBondContact O-CB 3.21Å; K120-W124 PolarHBondContact O-N 2.9Å; W124-S126 PolarHBondContact O-N 2.55Å; W124-G127 PolarHBondContact O-N 3.3Å; W124-G127 VanDerWaalsContact O-N 3.09Å; W124-K128 HydrophobicContact CE3-CD 4.37Å; W124-K128 HydrophobicContact CH2-CD 3.38Å; W124-K128 HydrophobicContact CH2-CG 4.26Å; W124-K128 HydrophobicContact CZ2-CD 3.72Å; W124-K128 HydrophobicContact CZ2-CG 4.14Å; W124-K128 HydrophobicContact CZ3-CD 3.7Å; W124-K128 PolarHBondContact O-N 2.89Å; W124-A141 HydrophobicContact CH2-CB 3.32Å; W124-A141 HydrophobicContact CZ2-CB 3.43Å; W124-A141 VanDerWaalsContact CZ2-CB 3.43Å; W124-M179 HydrophobicContact CB-CE 3.63Å; W124-M179 HydrophobicContact CD2-CE 3.76Å; W124-M179 HydrophobicContact CE3-CE 3.92Å; W124-M179 HydrophobicContact CG-CE 3.66Å
125Y57.4Low59.1Low105 Ų10565.4 Ų65.441%0.41232%0.317SS..Hα-helixtrans-60.1-29.1173.7-101-78.5000113.1L121 T122 N123 Y145L121-Y125 WeakPolarHBondContact O-CD2 3.42Å; L121-Y125 PolarHBondContact O-N 3.41Å; T122-Y125 PolarHBondContact O-N 3.05Å; N123-Y125 VanDerWaalsContact C-N 3.29Å; N123-Y125 PolarHBondContact O-N 2.96Å; Y125-Y145 AromaticContact CE2-CD2 3.92Å; Y125-Y145 HydrophobicContact CE2-CD2 3.92Å; Y125-Y145 HydrophobicContact CE2-CE2 4.28Å; Y125-Y145 AromaticContact CZ-CD2 3.93Å; Y125-Y145 WeakPolarHBondContact OH-CD2 3.19Å; Y125-Y145 VanDerWaalsContact OH-CG 3.29Å
126S52.3Low57.1Low27 Ų2771 Ų7119%0.18935%0.348CS..Hα-helixtrans-67.6-35.4175.9-1640000112.3N123 W124N123-S126 VanDerWaalsContact O-CB 3.28Å; N123-S126 WeakPolarHBondContact O-CB 3.12Å; N123-S126 PolarHBondContact O-N 3.2Å; N123-S126 VanDerWaalsContact O-N 3.14Å; W124-S126 PolarHBondContact O-N 2.55Å
127G49.9Very low55.3Low29 Ų2975.9 Ų75.930%0.29937%0.369SS..Hα-helixtrans-79.4-19.9-179.600000115W124 K129W124-G127 PolarHBondContact O-N 3.3Å; W124-G127 VanDerWaalsContact O-N 3.09Å; G127-K129 PolarHBondContact O-N 3.39Å; G127-K129 VanDerWaalsContact O-N 3.13Å
128K45.9Very low53.6Low75 Ų7578 Ų7833%0.32638%0.384SS..THydrogen-bonded Turntrans-70.6-11-168-132-170.8177.5-174.40115.4W124 R130W124-K128 HydrophobicContact CE3-CD 4.37Å; W124-K128 HydrophobicContact CH2-CD 3.38Å; W124-K128 HydrophobicContact CH2-CG 4.26Å; W124-K128 HydrophobicContact CZ2-CD 3.72Å; W124-K128 HydrophobicContact CZ2-CG 4.14Å; W124-K128 HydrophobicContact CZ3-CD 3.7Å; W124-K128 PolarHBondContact O-N 2.89Å; K128-R130 PolarHBondContact O-N 3Å
129K44.8Very low51.9Low118 Ų11881.1 Ų81.151%0.51340%0.401SS..THydrogen-bonded Turntrans-78.6-9-174-91-177.6174.1-177.30115.3G127 L222 T224G127-K129 PolarHBondContact O-N 3.39Å; G127-K129 VanDerWaalsContact O-N 3.13Å; K129-L222 HydrophobicContact CB-CD2 3.88Å; K129-L222 HydrophobicContact CD-CD2 3.4Å; K129-L222 HydrophobicContact CG-CD2 4.23Å; K129-T224 PolarHBondContact NZ-O 2.76Å
130R39Very low50.4Low204 Ų20486.8 Ų86.877%0.7743%0.428SS*.THydrogen-bonded Turntrans-157.91.1177.8-154.4145.7-85.3-157.6-8.8118.7K128 F132K128-R130 PolarHBondContact O-N 3Å; R130-F132 PolarHBondContact O-N 3.47Å
131F41.3Very low48.9Very low171 Ų17186.6 Ų86.675%0.7543%0.43SS*.  trans-80.9112.5171-138.7-96.3000109.1L133F131-L133 HydrophobicContact CD1-CD2 4.31Å; F131-L133 HydrophobicContact CD1-CG 4.41Å; F131-L133 PolarHBondContact O-N 2.89Å
132F36.6Very low48.1Very low207 Ų20789.9 Ų89.991%0.90845%0.451SS*.  trans-60.485.7167.8-103.9-96.1000108.1R130R130-F132 PolarHBondContact O-N 3.47Å
133L39.4Very low47.3Very low87 Ų8794.3 Ų94.346%0.45546%0.463SS..  trans-83.2142161.2-72.4171.5000107.5F131 S135 F137F131-L133 HydrophobicContact CD1-CD2 4.31Å; F131-L133 HydrophobicContact CD1-CG 4.41Å; F131-L133 PolarHBondContact O-N 2.89Å; L133-S135 PolarHBondContact O-N 3.37Å; L133-F137 HydrophobicContact CB-CB 4.39Å
134P38.9Very low46.6Very low85 Ų8595 Ų9555%0.55247%0.469SS*.  trans-51.8141.5176.518.5-28.9000110.4D136 F137P134-D136 PolarHBondContact O-N 3.22Å; P134-F137 PolarHBondContact O-N 3.23Å
135S44.9Very low46.1Very low83 Ų8398.5 Ų98.558%0.5848%0.483SS*.Hα-helixtrans-46.8-33.2-174.141.70000113.8L133 F137 S138L133-S135 PolarHBondContact O-N 3.37Å; S135-F137 VanDerWaalsContact C-N 3.31Å; S135-F137 PolarHBondContact O-N 3.09Å; S135-S138 PolarHBondContact O-N 3.1Å; S135-S138 PolarHBondContact O-OG 3.06Å
136D46.4Very low46Very low122 Ų12296.1 Ų96.165%0.65248%0.482SS*.Hα-helixtrans-62.6-33.7-179.7-59.8-24.8000113.2P134P134-D136 PolarHBondContact O-N 3.22Å
137F46.5Very low46.3Very low102 Ų10296.3 Ų96.345%0.44748%0.482SS..Hα-helixtrans-77.3-23.5178.9-124-92.5000112.7L133 P134 S135 A141L133-F137 HydrophobicContact CB-CB 4.39Å; P134-F137 PolarHBondContact O-N 3.23Å; S135-F137 VanDerWaalsContact C-N 3.31Å; S135-F137 PolarHBondContact O-N 3.09Å; F137-A141 WeakPolarHBondContact O-CB 3.09Å; F137-A141 PolarHBondContact O-N 3.22Å
138S42.9Very low46.2Very low50 Ų5097.2 Ų97.235%0.3548%0.479SS..Hα-helixtrans-71.7-37.3179.376.40000112S135 A141 V142S135-S138 PolarHBondContact O-N 3.1Å; S135-S138 PolarHBondContact O-OG 3.06Å; S138-A141 PolarHBondContact O-N 3.45Å; S138-V142 WeakPolarHBondContact O-CG2 3.35Å; S138-V142 PolarHBondContact O-N 3.03Å
139N44.9Very low46.7Very low108 Ų108102.1 Ų102.158%0.57850%0.495SS*.Hα-helixtrans-69.4-45.3179.5-73-27.8000112.1A141 V142 Y143N139-A141 PolarHBondContact O-N 3.3Å; N139-V142 PolarHBondContact O-N 3.39Å; N139-Y143 VanDerWaalsContact O-CB 3.3Å; N139-Y143 WeakPolarHBondContact O-CB 3.47Å; N139-Y143 PolarHBondContact O-N 3.47Å
140E48.4Very low47.2Very low124 Ų124102.4 Ų102.458%0.57950%0.502SS*.Hα-helixtrans-57.9-34.7175.3-73.8-149.4155.100111.9Y143 S144E140-Y143 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 2.72Å
141A43.6Very low47.8Very low15 Ų1593.4 Ų93.412%0.12447%0.47CS..Hα-helixtrans-84.1-33.3-174.600000113.6W124 F137 S138 N139 Y143 S144 Y145W124-A141 HydrophobicContact CH2-CB 3.32Å; W124-A141 HydrophobicContact CZ2-CB 3.43Å; W124-A141 VanDerWaalsContact CZ2-CB 3.43Å; F137-A141 WeakPolarHBondContact O-CB 3.09Å; F137-A141 PolarHBondContact O-N 3.22Å; S138-A141 PolarHBondContact O-N 3.45Å; N139-A141 PolarHBondContact O-N 3.3Å; A141-Y143 VanDerWaalsContact C-N 3.29Å; A141-S144 PolarHBondContact O-N 3.27Å; A141-Y145 PolarHBondContact O-N 3.21Å; A141-Y145 VanDerWaalsContact O-N 3.11Å
142V52Low48.2Very low91 Ų9188.9 Ų88.955%0.55246%0.456SS*.Hα-helixtrans-64.4-40167.4172.40000109.9S138 N139 Y145 S146S138-V142 WeakPolarHBondContact O-CG2 3.35Å; S138-V142 PolarHBondContact O-N 3.03Å; N139-V142 PolarHBondContact O-N 3.39Å; V142-Y145 PolarHBondContact O-N 3.43Å; V142-S146 PolarHBondContact O-N 3.09Å; V142-S146 PolarHBondContact O-OG 3.3Å
143Y52.4Low49Very low135 Ų13588.5 Ų88.553%0.52945%0.449SS..Hα-helixtrans-59.7-49.4173.1-166.9-102.1000111.1N139 E140 A141 Y145 S146 V147N139-Y143 VanDerWaalsContact O-CB 3.3Å; N139-Y143 WeakPolarHBondContact O-CB 3.47Å; N139-Y143 PolarHBondContact O-N 3.47Å; E140-Y143 WeakPolarHBondContact O-CB 3.29Å; A141-Y143 VanDerWaalsContact C-N 3.29Å; Y143-Y145 PolarHBondContact O-N 3.34Å; Y143-S146 PolarHBondContact O-N 2.88Å; Y143-S146 VanDerWaalsContact O-N 3.15Å; Y143-S146 PolarHBondContact O-OG 3.42Å; Y143-V147 HydrophobicContact CD1-CG2 3.87Å; Y143-V147 HydrophobicContact CE1-CG2 3.68Å; Y143-V147 HydrophobicContact CG-CG2 4.41Å; Y143-V147 WeakPolarHBondContact O-CB 3.23Å; Y143-V147 VanDerWaalsContact O-CG2 3.26Å; Y143-V147 WeakPolarHBondContact O-CG2 3.04Å; Y143-V147 PolarHBondContact O-N 2.95Å
144S50.6Low49.5Very low21 Ų2186.5 Ų86.515%0.14744%0.442CS..Hα-helixtrans-56.8-42.3176.4-1020000114E140 A141 V147 M148E140-S144 PolarHBondContact O-N 2.72Å; A141-S144 PolarHBondContact O-N 3.27Å; S144-V147 PolarHBondContact O-N 3.48Å; S144-M148 WeakPolarHBondContact O-CB 3.36Å; S144-M148 PolarHBondContact O-N 3.25Å
145Y50.3Low49.8Very low109 Ų10984.4 Ų84.443%0.42743%0.429SS..Hα-helixtrans-65.6-43176.1-178.6-97.4000112.4Y125 A141 V142 Y143 M148 R149Y125-Y145 AromaticContact CE2-CD2 3.92Å; Y125-Y145 HydrophobicContact CE2-CD2 3.92Å; Y125-Y145 HydrophobicContact CE2-CE2 4.28Å; Y125-Y145 AromaticContact CZ-CD2 3.93Å; Y125-Y145 WeakPolarHBondContact OH-CD2 3.19Å; Y125-Y145 VanDerWaalsContact OH-CG 3.29Å; A141-Y145 PolarHBondContact O-N 3.21Å; A141-Y145 VanDerWaalsContact O-N 3.11Å; V142-Y145 PolarHBondContact O-N 3.43Å; Y143-Y145 PolarHBondContact O-N 3.34Å; Y145-M148 PolarHBondContact O-N 2.77Å; Y145-R149 PolarHBondContact O-N 2.88Å
146S55.2Low50.1Low55 Ų5586.3 Ų86.339%0.38544%0.437SS..Hα-helixtrans-63.5-41.5176.971.30000111.9V142 Y143 M148 R149 L150V142-S146 PolarHBondContact O-N 3.09Å; V142-S146 PolarHBondContact O-OG 3.3Å; Y143-S146 PolarHBondContact O-N 2.88Å; Y143-S146 VanDerWaalsContact O-N 3.15Å; Y143-S146 PolarHBondContact O-OG 3.42Å; S146-M148 VanDerWaalsContact C-N 3.34Å; S146-M148 PolarHBondContact O-N 3.33Å; S146-R149 PolarHBondContact O-N 3.04Å; S146-L150 PolarHBondContact O-N 3.07Å
147V57.4Low50.4Low32 Ų3285.7 Ų85.719%0.19444%0.437CS..Hα-helixtrans-63-39.5174.8171.80000111.2Y143 S144 L150 S151Y143-V147 HydrophobicContact CD1-CG2 3.87Å; Y143-V147 HydrophobicContact CE1-CG2 3.68Å; Y143-V147 HydrophobicContact CG-CG2 4.41Å; Y143-V147 WeakPolarHBondContact O-CB 3.23Å; Y143-V147 VanDerWaalsContact O-CG2 3.26Å; Y143-V147 WeakPolarHBondContact O-CG2 3.04Å; Y143-V147 PolarHBondContact O-N 2.95Å; S144-V147 PolarHBondContact O-N 3.48Å; V147-L150 PolarHBondContact O-N 3.42Å; V147-S151 WeakPolarHBondContact O-CB 3.32Å; V147-S151 PolarHBondContact O-N 2.98Å; V147-S151 PolarHBondContact O-OG 2.86Å
148M49.5Very low50.7Low48 Ų4882.1 Ų82.124%0.23643%0.425CS..Hα-helixtrans-62.5-47.9174.8-171.4-175.4-165.700111.4L121 S144 Y145 S146 L150 S151 V152 L171L121-M148 HydrophobicContact CD1-CE 3.55Å; L121-M148 HydrophobicContact CD1-SD 3.69Å; S144-M148 WeakPolarHBondContact O-CB 3.36Å; S144-M148 PolarHBondContact O-N 3.25Å; Y145-M148 PolarHBondContact O-N 2.77Å; S146-M148 VanDerWaalsContact C-N 3.34Å; S146-M148 PolarHBondContact O-N 3.33Å; M148-L150 VanDerWaalsContact C-N 3.31Å; M148-L150 PolarHBondContact O-N 3.44Å; M148-S151 PolarHBondContact O-N 3.36Å; M148-V152 HydrophobicContact CG-CG2 4.36Å; M148-V152 WeakPolarHBondContact O-CG2 3.45Å; M148-V152 PolarHBondContact O-N 3.34Å; M148-L171 HydrophobicContact CB-CD1 4.34Å; M148-L171 HydrophobicContact CG-CD1 4.42Å
149R55.4Low51.3Low178 Ų17888 Ų8867%0.67245%0.452SS*.Hα-helixtrans-61.1-41179.8-156.7-178.1-147.1-169.66.6111.7Y145 S146 R153Y145-R149 PolarHBondContact O-N 2.88Å; S146-R149 PolarHBondContact O-N 3.04Å; R149-R153 WeakPolarHBondContact O-CB 3.44Å; R149-R153 PolarHBondContact O-N 2.94Å
150L55.4Low52.1Low124 Ų12485.4 Ų85.465%0.64944%0.443SS*.Hα-helixtrans-68.9-42.8176.8-130.380000111.9S146 V147 M148 R153 S154S146-L150 PolarHBondContact O-N 3.07Å; V147-L150 PolarHBondContact O-N 3.42Å; M148-L150 VanDerWaalsContact C-N 3.31Å; M148-L150 PolarHBondContact O-N 3.44Å; L150-R153 PolarHBondContact O-N 3.01Å; L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.4Å; L150-S154 PolarHBondContact O-OG 3.45Å
151S51Low52.4Low15 Ų1582 Ų8211%0.10543%0.431CS..Hα-helixtrans-69-42.2-177.8-63.30000112.6V147 M148 R153 S154 C155V147-S151 WeakPolarHBondContact O-CB 3.32Å; V147-S151 PolarHBondContact O-N 2.98Å; V147-S151 PolarHBondContact O-OG 2.86Å; M148-S151 PolarHBondContact O-N 3.36Å; S151-R153 VanDerWaalsContact C-N 3.31Å; S151-R153 PolarHBondContact O-N 2.94Å; S151-S154 PolarHBondContact O-N 3.3Å; S151-C155 VanDerWaalsContact O-CB 3.31Å; S151-C155 WeakPolarHBondContact O-CB 3.11Å; S151-C155 PolarHBondContact O-N 3.27Å
152V50.2Low52.9Low75 Ų7584.7 Ų84.746%0.45545%0.453SS..Hα-helixtrans-61.4-44.1174.7171.90000109.9M148 S154 C155 V156M148-V152 HydrophobicContact CG-CG2 4.36Å; M148-V152 WeakPolarHBondContact O-CG2 3.45Å; M148-V152 PolarHBondContact O-N 3.34Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.02Å; V152-C155 PolarHBondContact O-N 3.35Å; V152-V156 VanDerWaalsContact O-CG2 3.31Å; V152-V156 WeakPolarHBondContact O-CG2 3.41Å; V152-V156 PolarHBondContact O-N 3.04Å; V152-V156 VanDerWaalsContact O-N 3.08Å
153R53.6Low53Low200 Ų20081.9 Ų81.976%0.75544%0.439SS*.Hα-helixtrans-61.9-40.7176.9-153.2173.8-169.4172.31.5111.7R149 L150 S151 T157R149-R153 WeakPolarHBondContact O-CB 3.44Å; R149-R153 PolarHBondContact O-N 2.94Å; L150-R153 PolarHBondContact O-N 3.01Å; S151-R153 VanDerWaalsContact C-N 3.31Å; S151-R153 PolarHBondContact O-N 2.94Å; R153-T157 WeakPolarHBondContact O-CG2 3.45Å; R153-T157 PolarHBondContact O-N 2.98Å; R153-T157 PolarHBondContact O-OG1 3.1Å
154S49.7Very low53Low44 Ų4477.2 Ų77.231%0.30842%0.423SS..Hα-helixtrans-70.9-33.2177.6-55.40000113.2L150 S151 V152 T157 S158L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.4Å; L150-S154 PolarHBondContact O-OG 3.45Å; S151-S154 PolarHBondContact O-N 3.3Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.02Å; S154-T157 PolarHBondContact O-N 3.2Å; S154-T157 PolarHBondContact O-OG1 2.9Å; S154-S158 VanDerWaalsContact O-CB 3.29Å; S154-S158 WeakPolarHBondContact O-CB 3.37Å; S154-S158 PolarHBondContact O-N 2.89Å; S154-S158 VanDerWaalsContact O-N 3.1Å
155C46.1Very low53.1Low42 Ų4277.6 Ų77.628%0.28442%0.423SS..Hα-helixtrans-70.9-35.1177.9-160.30000111.5S151 V152 T157S151-C155 VanDerWaalsContact O-CB 3.31Å; S151-C155 WeakPolarHBondContact O-CB 3.11Å; S151-C155 PolarHBondContact O-N 3.27Å; V152-C155 PolarHBondContact O-N 3.35Å; C155-T157 VanDerWaalsContact C-N 3.29Å
156V50.9Low53.3Low122 Ų12274.8 Ų74.874%0.73942%0.423SS*.Hα-helixtrans-71.9-24.3175.8175.40000111.8V152V152-V156 VanDerWaalsContact O-CG2 3.31Å; V152-V156 WeakPolarHBondContact O-CG2 3.41Å; V152-V156 PolarHBondContact O-N 3.04Å; V152-V156 VanDerWaalsContact O-N 3.08Å
157T52.5Low53.2Low109 Ų10974.2 Ų74.267%0.66942%0.415SS*.Hα-helixtrans-101-3.3-179.759.60000114.6R153 S154 C155R153-T157 WeakPolarHBondContact O-CG2 3.45Å; R153-T157 PolarHBondContact O-N 2.98Å; R153-T157 PolarHBondContact O-OG1 3.1Å; S154-T157 PolarHBondContact O-N 3.2Å; S154-T157 PolarHBondContact O-OG1 2.9Å; C155-T157 VanDerWaalsContact C-N 3.29Å
158S53Low53.2Low28 Ų2873.6 Ų73.620%0.19641%0.41CS..  trans-96.9117.6-177.3177.30000112S154 S160 A163 I164S154-S158 VanDerWaalsContact O-CB 3.29Å; S154-S158 WeakPolarHBondContact O-CB 3.37Å; S154-S158 PolarHBondContact O-N 2.89Å; S154-S158 VanDerWaalsContact O-N 3.1Å; S158-S160 VanDerWaalsContact C-N 3.26Å; S158-S160 PolarHBondContact O-N 3.47Å; S158-S160 PolarHBondContact OG-N 2.91Å; S158-S160 PolarHBondContact OG-O 3.25Å; S158-A163 WeakPolarHBondContact OG-CB 3.49Å; S158-I164 WeakPolarHBondContact O-CD1 3.39Å
159N55.7Low53.4Low172 Ų17273.6 Ų73.692%0.9241%0.414SS*.  trans-82.8-0.4171.3-70.2-16.5000113.4
160S61.3Low53.5Low54 Ų5474.1 Ų74.138%0.37842%0.416SS..  trans-98.6117.6-178.2141.30000110.6S158 A162 A163 I164S158-S160 VanDerWaalsContact C-N 3.26Å; S158-S160 PolarHBondContact O-N 3.47Å; S158-S160 PolarHBondContact OG-N 2.91Å; S158-S160 PolarHBondContact OG-O 3.25Å; S160-A162 PolarHBondContact O-N 3.18Å; S160-A163 PolarHBondContact O-N 2.81Å; S160-A163 WeakPolarHBondContact OG-CB 3.32Å; S160-A163 PolarHBondContact OG-N 3.13Å; S160-I164 WeakPolarHBondContact O-CG1 3.42Å; S160-I164 PolarHBondContact O-N 3.32Å
161V55.4Low53.4Low53 Ų5369 Ų6932%0.32139%0.39SS..Hα-helixtrans-58.3-38.5175.91790000110.7W100 I164 L165W100-V161 HydrophobicContact CE3-CG2 4.46Å; W100-V161 HydrophobicContact CZ3-CB 3.97Å; W100-V161 HydrophobicContact CZ3-CG1 4.26Å; W100-V161 HydrophobicContact CZ3-CG2 3.95Å; V161-I164 PolarHBondContact O-N 2.77Å; V161-L165 HydrophobicContact CG1-CD1 4.03Å; V161-L165 HydrophobicContact CG1-CG 4.41Å; V161-L165 WeakPolarHBondContact O-CB 3.22Å; V161-L165 VanDerWaalsContact O-CG 3.3Å; V161-L165 WeakPolarHBondContact O-CG 3.12Å; V161-L165 PolarHBondContact O-N 2.81Å
162A53.1Low53.6Low71 Ų7169 Ų6959%0.58739%0.387SS*.Hα-helixtrans-64.5-40.2176.900000112.5S160 L165 A166S160-A162 PolarHBondContact O-N 3.18Å; A162-L165 PolarHBondContact O-N 3.28Å; A162-A166 VanDerWaalsContact O-CB 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.13Å; A162-A166 PolarHBondContact O-N 3.33Å
163A53.9Low53.7Low33 Ų3373.2 Ų73.227%0.27340%0.4SS..Hα-helixtrans-70.2-39.1176.300000111.5S158 S160 A166 L167S158-A163 WeakPolarHBondContact OG-CB 3.49Å; S160-A163 PolarHBondContact O-N 2.81Å; S160-A163 WeakPolarHBondContact OG-CB 3.32Å; S160-A163 PolarHBondContact OG-N 3.13Å; A163-A166 PolarHBondContact O-N 2.88Å; A163-L167 VanDerWaalsContact O-CB 3.28Å; A163-L167 WeakPolarHBondContact O-CB 3.35Å; A163-L167 PolarHBondContact O-N 2.64Å
164I53.6Low53.6Low36 Ų3669.6 Ų69.619%0.18539%0.387CS..Hα-helixtrans-58.9-49.9172.6-68.7165.9000110.1L107 S158 S160 V161 A166 L167 Q168L107-I164 HydrophobicContact CD1-CG2 4.46Å; S158-I164 WeakPolarHBondContact O-CD1 3.39Å; S160-I164 WeakPolarHBondContact O-CG1 3.42Å; S160-I164 PolarHBondContact O-N 3.32Å; V161-I164 PolarHBondContact O-N 2.77Å; I164-A166 PolarHBondContact O-N 3.46Å; I164-L167 PolarHBondContact O-N 3.05Å; I164-Q168 HydrophobicContact CG2-CG 4.34Å; I164-Q168 WeakPolarHBondContact O-CB 3.16Å; I164-Q168 VanDerWaalsContact O-CG 3.22Å; I164-Q168 WeakPolarHBondContact O-CG 3.48Å; I164-Q168 PolarHBondContact O-N 2.9Å
165L51.4Low53.6Low29 Ų2967.6 Ų67.615%0.15237%0.373CS..Hα-helixtrans-62.5-41.8178.8-72.2171.4000112.1F103 L107 V161 A162 Q168 C169F103-L165 HydrophobicContact CB-CD1 4.03Å; F103-L165 HydrophobicContact CD1-CD1 3.78Å; F103-L165 HydrophobicContact CG-CD1 4.3Å; L107-L165 HydrophobicContact CB-CD2 4.18Å; V161-L165 HydrophobicContact CG1-CD1 4.03Å; V161-L165 HydrophobicContact CG1-CG 4.41Å; V161-L165 WeakPolarHBondContact O-CB 3.22Å; V161-L165 VanDerWaalsContact O-CG 3.3Å; V161-L165 WeakPolarHBondContact O-CG 3.12Å; V161-L165 PolarHBondContact O-N 2.81Å; A162-L165 PolarHBondContact O-N 3.28Å; L165-Q168 PolarHBondContact O-N 3.38Å; L165-C169 VanDerWaalsContact O-CB 3.32Å; L165-C169 WeakPolarHBondContact O-CB 3.33Å; L165-C169 PolarHBondContact O-N 3.17Å; L165-C169 PolarHBondContact O-SG 2.87Å
166A54.8Low53.7Low50 Ų5067.3 Ų67.341%0.41337%0.371SS..Hα-helixtrans-67.4-40.9177.900000112.7A162 A163 I164 C169 R170A162-A166 VanDerWaalsContact O-CB 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.13Å; A162-A166 PolarHBondContact O-N 3.33Å; A163-A166 PolarHBondContact O-N 2.88Å; I164-A166 PolarHBondContact O-N 3.46Å; A166-C169 PolarHBondContact O-N 3.03Å; A166-R170 PolarHBondContact O-N 3.13Å
167L54.2Low53.5Low43 Ų4369.8 Ų69.823%0.22537%0.372CS..Hα-helixtrans-64.4-45.8174.1-94.1147.7000111A163 I164 C169 R170 L171A163-L167 VanDerWaalsContact O-CB 3.28Å; A163-L167 WeakPolarHBondContact O-CB 3.35Å; A163-L167 PolarHBondContact O-N 2.64Å; I164-L167 PolarHBondContact O-N 3.05Å; L167-C169 VanDerWaalsContact C-N 3.32Å; L167-C169 PolarHBondContact O-N 3.06Å; L167-R170 PolarHBondContact O-N 2.71Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 PolarHBondContact O-N 3.32Å
168Q55.6Low53.2Low19 Ų1966.8 Ų66.89%0.08936%0.362CS..Hα-helixtrans-60.5-41.5174.6-74.7-179.9-13.900111.6F110 I164 L165 L171 F172F110-Q168 HydrophobicContact CD1-CB 4.19Å; F110-Q168 HydrophobicContact CD1-CG 3.85Å; F110-Q168 HydrophobicContact CD2-CB 4.29Å; F110-Q168 HydrophobicContact CE1-CB 4.05Å; F110-Q168 HydrophobicContact CE1-CG 3.55Å; F110-Q168 HydrophobicContact CE2-CB 4.13Å; F110-Q168 HydrophobicContact CG-CB 4.32Å; F110-Q168 HydrophobicContact CG-CG 4.46Å; F110-Q168 HydrophobicContact CZ-CB 4.01Å; F110-Q168 HydrophobicContact CZ-CG 3.91Å; I164-Q168 HydrophobicContact CG2-CG 4.34Å; I164-Q168 WeakPolarHBondContact O-CB 3.16Å; I164-Q168 VanDerWaalsContact O-CG 3.22Å; I164-Q168 WeakPolarHBondContact O-CG 3.48Å; I164-Q168 PolarHBondContact O-N 2.9Å; L165-Q168 PolarHBondContact O-N 3.38Å; Q168-L171 PolarHBondContact O-N 3.4Å; Q168-F172 WeakPolarHBondContact O-CB 3.5Å; Q168-F172 PolarHBondContact O-N 3.02Å
169C54.1Low52.9Low48 Ų4866.8 Ų66.832%0.32436%0.36SS..Hα-helixtrans-63.5-45.3176.8-75.10000112.7F3 L165 A166 L167 F172 K173F3-C169 HydrophobicContact CE2-CB 4.14Å; F3-C169 WeakPolarHBondContact CE2-SG 3.36Å; F3-C169 VanDerWaalsContact CZ-SG 3.55Å; L165-C169 VanDerWaalsContact O-CB 3.32Å; L165-C169 WeakPolarHBondContact O-CB 3.33Å; L165-C169 PolarHBondContact O-N 3.17Å; L165-C169 PolarHBondContact O-SG 2.87Å; A166-C169 PolarHBondContact O-N 3.03Å; L167-C169 VanDerWaalsContact C-N 3.32Å; L167-C169 PolarHBondContact O-N 3.06Å; C169-F172 PolarHBondContact O-N 3.38Å; C169-K173 PolarHBondContact O-N 3.11Å; C169-K173 VanDerWaalsContact O-N 3.08Å
170R57.2Low52.8Low189 Ų18964.2 Ų64.271%0.71334%0.342SS*.Hα-helixtrans-63.7-47.1175.8-73.6-175.2-171.6-161.93.3110.4A166 L167 F172 K173 Y174A166-R170 PolarHBondContact O-N 3.13Å; L167-R170 PolarHBondContact O-N 2.71Å; R170-F172 VanDerWaalsContact C-N 3.33Å; R170-F172 PolarHBondContact O-N 2.95Å; R170-K173 PolarHBondContact O-N 3.15Å; R170-Y174 VanDerWaalsContact O-CD2 3.24Å; R170-Y174 WeakPolarHBondContact O-CD2 3.24Å; R170-Y174 PolarHBondContact O-N 3.43Å; R170-Y174 VanDerWaalsContact O-N 3.16Å
171L54.5Low53Low18 Ų1861.7 Ų61.79%0.09432%0.324CS..Hα-helixtrans-57.5-46.3177.8-167.282.6000111.2F110 M148 L167 Q168 Y174 L175F110-L171 HydrophobicContact CZ-CD2 4.43Å; M148-L171 HydrophobicContact CB-CD1 4.34Å; M148-L171 HydrophobicContact CG-CD1 4.42Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 PolarHBondContact O-N 3.32Å; Q168-L171 PolarHBondContact O-N 3.4Å; L171-Y174 PolarHBondContact O-N 3.37Å; L171-L175 HydrophobicContact CD1-CD1 4.1Å; L171-L175 HydrophobicContact CD2-CD1 3.89Å; L171-L175 HydrophobicContact CG-CD1 3.55Å; L171-L175 HydrophobicContact CG-CG 4.26Å; L171-L175 WeakPolarHBondContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.19Å; L171-L175 PolarHBondContact O-N 3.45Å
172F55.2Low53.8Low13 Ų1362.3 Ų62.36%0.05732%0.323CS..Hα-helixtrans-60.7-47.6179-171.2-92.3000111.8F7 S10 F110 Y113 Q168 C169 R170 Y174 L175 C176F7-F172 HydrophobicContact CD2-CD1 4.19Å; F7-F172 AromaticContact CD2-CE1 3.47Å; F7-F172 HydrophobicContact CD2-CE1 3.47Å; F7-F172 VanDerWaalsContact CD2-CE1 3.47Å; F7-F172 HydrophobicContact CD2-CE2 4.03Å; F7-F172 AromaticContact CD2-CZ 3.36Å; F7-F172 HydrophobicContact CD2-CZ 3.36Å; F7-F172 HydrophobicContact CE2-CE1 4.09Å; F7-F172 AromaticContact CE2-CE2 3.78Å; F7-F172 HydrophobicContact CE2-CE2 3.78Å; F7-F172 AromaticContact CE2-CZ 3.52Å; F7-F172 HydrophobicContact CE2-CZ 3.52Å; F7-F172 HydrophobicContact CG-CE1 4.4Å; F7-F172 HydrophobicContact CG-CZ 4.45Å; S10-F172 WeakPolarHBondContact OG-CZ 3.42Å; F110-F172 HydrophobicContact CD2-CB 4.44Å; F110-F172 AromaticContact CD2-CD2 3.92Å; F110-F172 HydrophobicContact CD2-CD2 3.92Å; F110-F172 HydrophobicContact CE2-CB 4.07Å; F110-F172 AromaticContact CE2-CD2 3.93Å; F110-F172 HydrophobicContact CE2-CD2 3.93Å; F110-F172 HydrophobicContact CE2-CG 4.47Å; Y113-F172 AromaticContact CD1-CD2 3.95Å; Y113-F172 HydrophobicContact CD1-CD2 3.95Å; Y113-F172 AromaticContact CD1-CE2 3.35Å; Y113-F172 HydrophobicContact CD1-CE2 3.35Å; Y113-F172 HydrophobicContact CD1-CZ 4.35Å; Y113-F172 HydrophobicContact CD2-CE2 4.46Å; Y113-F172 HydrophobicContact CE1-CD2 4.08Å; Y113-F172 AromaticContact CE1-CE2 3.44Å; Y113-F172 HydrophobicContact CE1-CE2 3.44Å; Y113-F172 VanDerWaalsContact CE1-CE2 3.44Å; Y113-F172 HydrophobicContact CE1-CZ 4.16Å; Y113-F172 AromaticContact CG-CE2 3.88Å; Y113-F172 HydrophobicContact CG-CE2 3.88Å; Q168-F172 WeakPolarHBondContact O-CB 3.5Å; Q168-F172 PolarHBondContact O-N 3.02Å; C169-F172 PolarHBondContact O-N 3.38Å; R170-F172 VanDerWaalsContact C-N 3.33Å; R170-F172 PolarHBondContact O-N 2.95Å; F172-Y174 VanDerWaalsContact C-N 3.31Å; F172-Y174 PolarHBondContact O-N 3.39Å; F172-L175 PolarHBondContact O-N 3.14Å; F172-C176 WeakPolarHBondContact O-CB 3.4Å; F172-C176 PolarHBondContact O-N 3.16Å; F172-C176 PolarHBondContact O-SG 2.94Å
173K51.1Low54.9Low164 Ų16459.2 Ų59.271%0.71330%0.297SS*.Hα-helixtrans-60.8-39.6-179.9-167.8177.7-177.5-179.40112.4C169 R170C169-K173 PolarHBondContact O-N 3.11Å; C169-K173 VanDerWaalsContact O-N 3.08Å; R170-K173 PolarHBondContact O-N 3.15Å
174Y51.9Low56.2Low124 Ų12458.5 Ų58.549%0.48629%0.288SS..Hα-helixtrans-72.9-41.8178.4-83.1-72.5000112.5R170 L171 F172R170-Y174 VanDerWaalsContact O-CD2 3.24Å; R170-Y174 WeakPolarHBondContact O-CD2 3.24Å; R170-Y174 PolarHBondContact O-N 3.43Å; R170-Y174 VanDerWaalsContact O-N 3.16Å; L171-Y174 PolarHBondContact O-N 3.37Å; F172-Y174 VanDerWaalsContact C-N 3.31Å; F172-Y174 PolarHBondContact O-N 3.39Å
175L49.8Very low57.4Low3 Ų359.5 Ų59.52%0.01630%0.296CS..Hα-helixtrans-76.4-26-175.2-66.5174.8000113.8L117 L121 L171 F172 K177L117-L175 HydrophobicContact CD1-CB 3.44Å; L117-L175 VanDerWaalsContact CD1-CB 3.44Å; L117-L175 HydrophobicContact CD1-CD1 3.69Å; L117-L175 HydrophobicContact CD1-CG 4.15Å; L117-L175 HydrophobicContact CD2-CD1 3.48Å; L117-L175 VanDerWaalsContact CD2-CD1 3.48Å; L117-L175 HydrophobicContact CG-CB 4.47Å; L117-L175 HydrophobicContact CG-CD1 3.82Å; L121-L175 HydrophobicContact CD1-CD2 4.32Å; L121-L175 HydrophobicContact CD2-CD2 3.84Å; L171-L175 HydrophobicContact CD1-CD1 4.1Å; L171-L175 HydrophobicContact CD2-CD1 3.89Å; L171-L175 HydrophobicContact CG-CD1 3.55Å; L171-L175 HydrophobicContact CG-CG 4.26Å; L171-L175 WeakPolarHBondContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.19Å; L171-L175 PolarHBondContact O-N 3.45Å; F172-L175 PolarHBondContact O-N 3.14Å; L175-K177 VanDerWaalsContact C-N 3.32Å
176C48.3Very low59Low36 Ų3658.3 Ų58.324%0.24329%0.289CS..THydrogen-bonded Turntrans-79.9-13.7178.9-64.50000113.5S10 F172 G178S10-C176 WeakPolarHBondContact OG-CB 3.38Å; S10-C176 PolarHBondContact OG-SG 3.34Å; F172-C176 WeakPolarHBondContact O-CB 3.4Å; F172-C176 PolarHBondContact O-N 3.16Å; F172-C176 PolarHBondContact O-SG 2.94Å; C176-G178 PolarHBondContact O-N 3.36Å
177K46.1Very low60.4Low174 Ų17456 Ų5676%0.75727%0.27SS*.SBendtrans-87.296.1179.6-153.2177.5-177.8-168.10109.8L175L175-K177 VanDerWaalsContact C-N 3.32Å
178G47Very low61.9Low45 Ų4555.2 Ų55.246%0.46427%0.268SS..SBendtrans9713.6155.300000119C176 H180C176-G178 PolarHBondContact O-N 3.36Å; G178-H180 PolarHBondContact O-N 2.95Å
179M47.8Very low63.3Low29 Ų2956.9 Ų56.914%0.14328%0.277CS..  trans-9690.4178.1-64.3-169.564.900112.3L121 W124L121-M179 HydrophobicContact CD2-CE 3.6Å; L121-M179 HydrophobicContact CD2-SD 3.54Å; L121-M179 VanDerWaalsContact CD2-SD 3.54Å; L121-M179 HydrophobicContact CG-CE 4.26Å; L121-M179 HydrophobicContact CG-SD 4.37Å; W124-M179 HydrophobicContact CB-CE 3.63Å; W124-M179 HydrophobicContact CD2-CE 3.76Å; W124-M179 HydrophobicContact CE3-CE 3.92Å; W124-M179 HydrophobicContact CG-CE 3.66Å
180H52.7Low64.9Low118 Ų11854.6 Ų54.655%0.54626%0.262SS..  trans-84.8129.6163.9-77.3-101.7000109.6G178 Q184G178-H180 PolarHBondContact O-N 2.95Å; H180-Q184 PolarHBondContact ND1-NE2 3.03Å
181N65.9Low66.3Low1 Ų147.2 Ų47.21%0.00524%0.236CC..  trans-88163172.975.135000110.6D16 W119 N123 V183 Q184 T185D16-N181 PolarHBondContact OD2-ND2 3.05Å; D16-N181 PolarHBondContact OD2-OD1 3.22Å; W119-N181 PolarHBondContact NE1-ND2 3.13Å; W119-N181 VanDerWaalsContact NE1-ND2 3.12Å; N123-N181 HydrophobicContact CB-CB 3.55Å; N181-V183 VanDerWaalsContact C-N 3.34Å; N181-V183 PolarHBondContact O-N 3.33Å; N181-V183 PolarHBondContact OD1-N 3.32Å; N181-Q184 PolarHBondContact O-N 3.18Å; N181-Q184 WeakPolarHBondContact OD1-CA 3.25Å; N181-Q184 WeakPolarHBondContact OD1-CB 3.31Å; N181-Q184 PolarHBondContact OD1-N 2.84Å; N181-T185 PolarHBondContact O-N 3.31Å; N181-T185 PolarHBondContact O-OG1 3.12Å
182H70.8Confident67.9Low66 Ų6650.9 Ų50.931%0.30626%0.255SS..Hα-helixtrans-63-38.6-176.5175.8-82.5000112.8T185 I186 S215H182-T185 PolarHBondContact O-N 3.36Å; H182-I186 WeakPolarHBondContact CE1-CD1 3.48Å; H182-I186 PolarHBondContact O-N 3.08Å; H182-I186 VanDerWaalsContact O-N 3.09Å; H182-S215 WeakPolarHBondContact CE1-CB 2.97Å; H182-S215 PolarHBondContact CE1-OG 3.23Å; H182-S215 WeakPolarHBondContact NE2-CB 3.49Å
183V77.6Confident69.4Low5 Ų550.5 Ų50.53%0.0325%0.254CS..Hα-helixtrans-64-45.5178.3179.70000110.7D16 N181 T185 I186 A187 V242 L400D16-V183 HydrophobicContact CB-CB 4.36Å; D16-V183 HydrophobicContact CB-CG1 3.81Å; N181-V183 VanDerWaalsContact C-N 3.34Å; N181-V183 PolarHBondContact O-N 3.33Å; N181-V183 PolarHBondContact OD1-N 3.32Å; V183-T185 VanDerWaalsContact C-N 3.3Å; V183-T185 PolarHBondContact O-N 2.79Å; V183-I186 PolarHBondContact O-N 2.97Å; V183-A187 WeakPolarHBondContact O-CB 3.4Å; V183-A187 PolarHBondContact O-N 2.84Å; V183-V242 HydrophobicContact CG2-CG1 3.92Å; V183-L400 HydrophobicContact CG1-CD1 3.89Å
184Q79.9Confident71Confident19 Ų1944 Ų449%0.08923%0.233CC..Hα-helixtrans-61.3-37.6175.9-171.5-172.93.400111.6Q14 D16 H180 N181 S188Q14-Q184 VanDerWaalsContact NE2-CD 3.26Å; Q14-Q184 VanDerWaalsContact NE2-NE2 3.14Å; Q14-Q184 VanDerWaalsContact NE2-OE1 3.13Å; D16-Q184 HydrophobicContact CB-CB 4.12Å; H180-Q184 PolarHBondContact ND1-NE2 3.03Å; N181-Q184 PolarHBondContact O-N 3.18Å; N181-Q184 WeakPolarHBondContact OD1-CA 3.25Å; N181-Q184 WeakPolarHBondContact OD1-CB 3.31Å; N181-Q184 PolarHBondContact OD1-N 2.84Å; Q184-S188 VanDerWaalsContact O-CB 3.3Å; Q184-S188 WeakPolarHBondContact O-CB 3.25Å; Q184-S188 PolarHBondContact O-N 3.43Å; Q184-S188 PolarHBondContact O-OG 3.28Å
185T80.2Confident72.7Confident57 Ų5744.6 Ų44.635%0.3525%0.245SC..Hα-helixtrans-64.2-46.8175.4-520000110.3N181 H182 V183 S188 M189N181-T185 PolarHBondContact O-N 3.31Å; N181-T185 PolarHBondContact O-OG1 3.12Å; H182-T185 PolarHBondContact O-N 3.36Å; V183-T185 VanDerWaalsContact C-N 3.3Å; V183-T185 PolarHBondContact O-N 2.79Å; T185-S188 WeakPolarHBondContact CA-OG 3.22Å; T185-S188 PolarHBondContact O-OG 3.37Å; T185-M189 HydrophobicContact CG2-CE 4.2Å; T185-M189 VanDerWaalsContact O-CG 3.27Å; T185-M189 WeakPolarHBondContact O-CG 3.25Å; T185-M189 PolarHBondContact O-N 3.1Å
186I83.4Confident74.4Confident3 Ų347.7 Ų47.72%0.01526%0.26CS..Hα-helixtrans-65.1-45.4176.2-66.6-177.6000111.8H182 V183 S188 M189 A190 I212 L400 I404H182-I186 WeakPolarHBondContact CE1-CD1 3.48Å; H182-I186 PolarHBondContact O-N 3.08Å; H182-I186 VanDerWaalsContact O-N 3.09Å; V183-I186 PolarHBondContact O-N 2.97Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 2.64Å; I186-M189 HydrophobicContact CB-CE 4.42Å; I186-M189 HydrophobicContact CG1-CE 3.99Å; I186-M189 PolarHBondContact O-N 3.1Å; I186-A190 WeakPolarHBondContact O-CB 3.38Å; I186-A190 PolarHBondContact O-N 2.86Å; I186-I212 HydrophobicContact CD1-CG1 4.13Å; I186-I212 HydrophobicContact CG2-CD1 4.04Å; I186-I212 HydrophobicContact CG2-CG1 3.64Å; I186-L400 HydrophobicContact CB-CD1 4.41Å; I186-L400 HydrophobicContact CD1-CD2 3.98Å; I186-L400 HydrophobicContact CG2-CD1 4.14Å; I186-L400 HydrophobicContact CG2-CD2 4.2Å; I186-L400 HydrophobicContact CG2-CG 4.43Å; I186-I404 HydrophobicContact CG2-CD1 3.97Å
187A85Confident76.2Confident1 Ų149.9 Ų49.91%0.00827%0.27CS..Hα-helixtrans-63.1-41.4-179.200000111.4N15 V183 A190 M191N15-A187 HydrophobicContact CB-CB 4.41Å; N15-A187 WeakPolarHBondContact O-CB 3.44Å; V183-A187 WeakPolarHBondContact O-CB 3.4Å; V183-A187 PolarHBondContact O-N 2.84Å; A187-A190 PolarHBondContact O-N 3.46Å; A187-M191 WeakPolarHBondContact O-CG 3.35Å; A187-M191 PolarHBondContact O-N 3.15Å
188S85Confident78Confident27 Ų2746.2 Ų46.219%0.18927%0.266CS..Hα-helixtrans-63.4-47.7173.849.90000112.2Q184 T185 I186 A190 M191 D192Q184-S188 VanDerWaalsContact O-CB 3.3Å; Q184-S188 WeakPolarHBondContact O-CB 3.25Å; Q184-S188 PolarHBondContact O-N 3.43Å; Q184-S188 PolarHBondContact O-OG 3.28Å; T185-S188 WeakPolarHBondContact CA-OG 3.22Å; T185-S188 PolarHBondContact O-OG 3.37Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 2.64Å; S188-A190 VanDerWaalsContact C-N 3.26Å; S188-A190 PolarHBondContact O-N 2.83Å; S188-M191 PolarHBondContact O-N 3.1Å; S188-M191 VanDerWaalsContact O-N 3.17Å; S188-D192 WeakPolarHBondContact O-CB 3.46Å; S188-D192 VanDerWaalsContact O-CG 3.24Å; S188-D192 PolarHBondContact O-N 3.04Å
189M85.1Confident79.7Confident54 Ų5448.4 Ų48.427%0.26627%0.274SS..Hα-helixtrans-57.9-38.6175.1-69.2-174.7-6200112.6T185 I186 T193 V208 H211T185-M189 HydrophobicContact CG2-CE 4.2Å; T185-M189 VanDerWaalsContact O-CG 3.27Å; T185-M189 WeakPolarHBondContact O-CG 3.25Å; T185-M189 PolarHBondContact O-N 3.1Å; I186-M189 HydrophobicContact CB-CE 4.42Å; I186-M189 HydrophobicContact CG1-CE 3.99Å; I186-M189 PolarHBondContact O-N 3.1Å; M189-T193 WeakPolarHBondContact O-CB 3.43Å; M189-T193 PolarHBondContact O-N 2.84Å; M189-T193 PolarHBondContact O-OG1 3.31Å; M189-V208 HydrophobicContact CB-CG2 3.92Å; M189-H211 HydrophobicContact CE-CB 4.28Å
190A87.5Confident81.6Confident1 Ų149.5 Ų49.51%0.00828%0.282CS..Hα-helixtrans-68.5-41.4177.400000112.3I186 A187 S188 T193 G194 V208 I404 A408 L416I186-A190 WeakPolarHBondContact O-CB 3.38Å; I186-A190 PolarHBondContact O-N 2.86Å; A187-A190 PolarHBondContact O-N 3.46Å; S188-A190 VanDerWaalsContact C-N 3.26Å; S188-A190 PolarHBondContact O-N 2.83Å; A190-T193 WeakPolarHBondContact O-CB 3.49Å; A190-T193 PolarHBondContact O-N 2.89Å; A190-G194 PolarHBondContact O-N 2.98Å; A190-V208 HydrophobicContact CB-CG1 4.37Å; A190-I404 HydrophobicContact CB-CD1 4.34Å; A190-I404 HydrophobicContact CB-CG1 4.18Å; A190-I404 HydrophobicContact CB-CG2 3.72Å; A190-A408 HydrophobicContact CB-CB 4.45Å; A190-L416 HydrophobicContact CB-CD1 4.27Å
191M87Confident83.3Confident34 Ų3446.6 Ų46.617%0.16727%0.266CS..Hα-helixtrans-66.7-41.7175-70.2-168.3-27.600112.4N15 A187 S188 T193 G194 N195 N407 A408N15-M191 HydrophobicContact CB-CE 3.61Å; N15-M191 HydrophobicContact CB-SD 3.62Å; N15-M191 VanDerWaalsContact CG-SD 3.55Å; N15-M191 WeakPolarHBondContact ND2-CE 3.44Å; N15-M191 WeakPolarHBondContact OD1-CE 3.38Å; A187-M191 WeakPolarHBondContact O-CG 3.35Å; A187-M191 PolarHBondContact O-N 3.15Å; S188-M191 PolarHBondContact O-N 3.1Å; S188-M191 VanDerWaalsContact O-N 3.17Å; M191-T193 VanDerWaalsContact C-N 3.25Å; M191-T193 PolarHBondContact O-N 3.36Å; M191-G194 WeakPolarHBondContact O-CA 3.32Å; M191-G194 PolarHBondContact O-N 3.01Å; M191-N195 PolarHBondContact O-N 2.53Å; M191-N195 VanDerWaalsContact O-N 3.13Å; M191-N195 PolarHBondContact O-ND2 2.83Å; M191-N407 HydrophobicContact CG-CB 4.3Å; M191-N407 HydrophobicContact SD-CB 3.95Å; M191-A408 HydrophobicContact CB-CB 4.44Å; M191-A408 HydrophobicContact CG-CB 3.92Å
192D88.2Confident84.3Confident94 Ų9448.7 Ų48.750%0.50329%0.288SS..Hα-helixtrans-59.2-43.6176.2-68.5-20.8000109.6S188 G194 N195 M196S188-D192 WeakPolarHBondContact O-CB 3.46Å; S188-D192 VanDerWaalsContact O-CG 3.24Å; S188-D192 PolarHBondContact O-N 3.04Å; D192-G194 VanDerWaalsContact C-N 3.26Å; D192-G194 PolarHBondContact O-N 3.1Å; D192-N195 PolarHBondContact O-N 2.84Å; D192-M196 VanDerWaalsContact O-CG 3.3Å; D192-M196 WeakPolarHBondContact O-CG 3.39Å
193T87.8Confident85.1Confident6 Ų653.2 Ų53.24%0.03731%0.307CS..Hα-helixtrans-60.4-33.9173.6-57.60000112.7M189 A190 M191 N195 M196 R201 N204 V205M189-T193 WeakPolarHBondContact O-CB 3.43Å; M189-T193 PolarHBondContact O-N 2.84Å; M189-T193 PolarHBondContact O-OG1 3.31Å; A190-T193 WeakPolarHBondContact O-CB 3.49Å; A190-T193 PolarHBondContact O-N 2.89Å; M191-T193 VanDerWaalsContact C-N 3.25Å; M191-T193 PolarHBondContact O-N 3.36Å; T193-N195 VanDerWaalsContact C-N 3.34Å; T193-M196 PolarHBondContact O-N 3.35Å; T193-R201 HydrophobicContact CG2-CG 3.87Å; T193-N204 HydrophobicContact CG2-CB 3.86Å; T193-V205 HydrophobicContact CG2-CG2 3.61Å
194G84.8Confident85.7Confident26 Ų2655.2 Ų55.227%0.26832%0.318SS..Hα-helixtrans-69.9-27.7176.900000115A190 M191 D192 M196A190-G194 PolarHBondContact O-N 2.98Å; M191-G194 WeakPolarHBondContact O-CA 3.32Å; M191-G194 PolarHBondContact O-N 3.01Å; D192-G194 VanDerWaalsContact C-N 3.26Å; D192-G194 PolarHBondContact O-N 3.1Å; G194-M196 VanDerWaalsContact C-N 3.27Å
195N86.3Confident86.2Confident138 Ų13854.5 Ų54.574%0.73831%0.314SS*.THydrogen-bonded Turntrans-84.9-1.1178.3-67.3-34.9000113.2M191 D192 T193M191-N195 PolarHBondContact O-N 2.53Å; M191-N195 VanDerWaalsContact O-N 3.13Å; M191-N195 PolarHBondContact O-ND2 2.83Å; D192-N195 PolarHBondContact O-N 2.84Å; T193-N195 VanDerWaalsContact C-N 3.34Å
196M86.1Confident86.8Confident68 Ų6856.1 Ų56.134%0.33532%0.318SS..SBendtrans-89.6158.3-178.1-64.7179.58500112.6D192 T193 G194 T200 N204D192-M196 VanDerWaalsContact O-CG 3.3Å; D192-M196 WeakPolarHBondContact O-CG 3.39Å; T193-M196 PolarHBondContact O-N 3.35Å; G194-M196 VanDerWaalsContact C-N 3.27Å; M196-T200 HydrophobicContact CE-CG2 3.29Å; M196-N204 WeakPolarHBondContact CE-ND2 3.44Å; M196-N204 PolarHBondContact SD-ND2 3.02Å
197D85.4Confident87.1Confident82 Ų8259.1 Ų59.144%0.43934%0.337SS..  trans-62.5152171.570.6-60.1000111.1S199 T200 R201D197-S199 PolarHBondContact O-N 3.18Å; D197-S199 VanDerWaalsContact O-N 3.1Å; D197-S199 WeakPolarHBondContact OD2-CB 3.42Å; D197-S199 PolarHBondContact OD2-N 3.37Å; D197-S199 PolarHBondContact OD2-OG 3.1Å; D197-T200 PolarHBondContact O-N 3.11Å; D197-T200 WeakPolarHBondContact OD1-CB 3.19Å; D197-T200 PolarHBondContact OD1-OG1 2.98Å; D197-T200 PolarHBondContact OD2-N 3.23Å; D197-T200 PolarHBondContact OD2-OG1 3.49Å; D197-R201 WeakPolarHBondContact O-CB 3.43Å; D197-R201 PolarHBondContact O-N 2.86Å
198S84.2Confident87.3Confident96 Ų9659.3 Ų59.367%0.67134%0.338SS*.Hα-helixtrans-57.7-30.1-174.6550000113.6
199S82.5Confident87.6Confident92 Ų9258 Ų5864%0.64333%0.329SS*.Hα-helixtrans-72.6-41-177.584.80000112.4D197D197-S199 PolarHBondContact O-N 3.18Å; D197-S199 VanDerWaalsContact O-N 3.1Å; D197-S199 WeakPolarHBondContact OD2-CB 3.42Å; D197-S199 PolarHBondContact OD2-N 3.37Å; D197-S199 PolarHBondContact OD2-OG 3.1Å
200T87.8Confident87.8Confident51 Ų5157 Ų5731%0.31333%0.325SS..Hα-helixtrans-80.7-29.2178.4-44.50000111.8M196 D197 G202 K203 N204M196-T200 HydrophobicContact CE-CG2 3.29Å; D197-T200 PolarHBondContact O-N 3.11Å; D197-T200 WeakPolarHBondContact OD1-CB 3.19Å; D197-T200 PolarHBondContact OD1-OG1 2.98Å; D197-T200 PolarHBondContact OD2-N 3.23Å; D197-T200 PolarHBondContact OD2-OG1 3.49Å; T200-G202 VanDerWaalsContact C-N 3.34Å; T200-G202 PolarHBondContact O-N 3.47Å; T200-K203 PolarHBondContact O-N 3.11Å; T200-N204 PolarHBondContact O-N 3.43Å
201R88.8Confident87.7Confident57 Ų5760.7 Ų60.722%0.21534%0.342CS..Hα-helixtrans-52.2-46.7-177.7-168.6170.882.1-1533.9112.8T193 D197 K203 N204 V205 D415T193-R201 HydrophobicContact CG2-CG 3.87Å; D197-R201 WeakPolarHBondContact O-CB 3.43Å; D197-R201 PolarHBondContact O-N 2.86Å; R201-K203 PolarHBondContact O-N 2.89Å; R201-N204 PolarHBondContact O-N 3.46Å; R201-N204 VanDerWaalsContact O-N 3.11Å; R201-V205 HydrophobicContact CG-CG2 3.86Å; R201-V205 VanDerWaalsContact O-CG2 3.27Å; R201-V205 WeakPolarHBondContact O-CG2 3.49Å; R201-V205 PolarHBondContact O-N 3.29Å; R201-D415 IonicContact CZ-OD2 3.06Å; R201-D415 IonicContact NE-OD2 3.26Å; R201-D415 PolarHBondContact NE-OD2 3.38Å; R201-D415 IonicContact NH2-OD2 2.69Å; R201-D415 PolarHBondContact NH2-OD2 3.4Å
202G86.8Confident87.8Confident45 Ų4559.1 Ų59.146%0.46434%0.335SS..Hα-helixtrans-56.9-44.4-175.500000114.5T200 N204 V205 H206T200-G202 VanDerWaalsContact C-N 3.34Å; T200-G202 PolarHBondContact O-N 3.47Å; G202-N204 VanDerWaalsContact C-N 3.33Å; G202-N204 PolarHBondContact O-N 2.98Å; G202-V205 PolarHBondContact O-N 3.16Å; G202-H206 PolarHBondContact O-N 3.35Å; G202-H206 VanDerWaalsContact O-N 3.12Å
203K87.3Confident87.7Confident162 Ų16258.3 Ų58.370%0.70432%0.324SS*.Hα-helixtrans-66.1-37.1178.3-66.2-179.9-177.4174.10112T200 R201 T207T200-K203 PolarHBondContact O-N 3.11Å; R201-K203 PolarHBondContact O-N 2.89Å; K203-T207 PolarHBondContact O-N 3.32Å; K203-T207 VanDerWaalsContact O-N 3.13Å; K203-T207 PolarHBondContact O-OG1 2.8Å
204N90.4Very high87.5Confident47 Ų4762.8 Ų62.825%0.25135%0.345SS..Hα-helixtrans-76.1-37.4-180-69.3-17.5000111.9T193 M196 T200 R201 G202 H206 T207 V208T193-N204 HydrophobicContact CG2-CB 3.86Å; M196-N204 WeakPolarHBondContact CE-ND2 3.44Å; M196-N204 PolarHBondContact SD-ND2 3.02Å; T200-N204 PolarHBondContact O-N 3.43Å; R201-N204 PolarHBondContact O-N 3.46Å; R201-N204 VanDerWaalsContact O-N 3.11Å; G202-N204 VanDerWaalsContact C-N 3.33Å; G202-N204 PolarHBondContact O-N 2.98Å; N204-H206 VanDerWaalsContact C-N 3.3Å; N204-H206 PolarHBondContact O-N 3.28Å; N204-T207 WeakPolarHBondContact O-CB 3.38Å; N204-T207 PolarHBondContact O-N 3.38Å; N204-T207 VanDerWaalsContact O-N 3.14Å; N204-V208 VanDerWaalsContact O-CG2 3.32Å; N204-V208 WeakPolarHBondContact O-CG2 3.23Å; N204-V208 PolarHBondContact O-N 3.47Å
205V91.5Very high87.3Confident3 Ų361.8 Ų61.82%0.01833%0.334CS..Hα-helixtrans-57-46170.9174.60000109.9T193 R201 G202 T207 V208 A209 D415 L416 E419T193-V205 HydrophobicContact CG2-CG2 3.61Å; R201-V205 HydrophobicContact CG-CG2 3.86Å; R201-V205 VanDerWaalsContact O-CG2 3.27Å; R201-V205 WeakPolarHBondContact O-CG2 3.49Å; R201-V205 PolarHBondContact O-N 3.29Å; G202-V205 PolarHBondContact O-N 3.16Å; V205-T207 VanDerWaalsContact C-N 3.32Å; V205-T207 PolarHBondContact O-N 3.42Å; V205-V208 PolarHBondContact O-N 2.94Å; V205-A209 VanDerWaalsContact O-CB 3.26Å; V205-A209 WeakPolarHBondContact O-CB 3.32Å; V205-A209 PolarHBondContact O-N 3.19Å; V205-D415 HydrophobicContact CG1-CB 3.91Å; V205-D415 HydrophobicContact CG2-CB 4.05Å; V205-L416 HydrophobicContact CG1-CD2 3.78Å; V205-L416 HydrophobicContact CG1-CG 4.12Å; V205-E419 HydrophobicContact CG1-CB 4.34Å; V205-E419 HydrophobicContact CG1-CG 3.68Å
206H91.4Very high87Confident92 Ų9255.8 Ų55.843%0.42630%0.302SS..Hα-helixtrans-59.9-42.5176.5-177.179.3000112.5G202 N204 T210 E419G202-H206 PolarHBondContact O-N 3.35Å; G202-H206 VanDerWaalsContact O-N 3.12Å; N204-H206 VanDerWaalsContact C-N 3.3Å; N204-H206 PolarHBondContact O-N 3.28Å; H206-T210 WeakPolarHBondContact O-CB 3.25Å; H206-T210 PolarHBondContact O-N 3.48Å; H206-T210 PolarHBondContact O-OG1 2.89Å; H206-E419 IonicContact ND1-OE2 3.38Å; H206-E419 PolarHBondContact ND1-OE2 2.99Å
207T89.3Confident86.6Confident66 Ų6655.4 Ų55.441%0.40530%0.299SS..Hα-helixtrans-62.7-48.8177.3-57.20000110.9K203 N204 V205 T210 H211K203-T207 PolarHBondContact O-N 3.32Å; K203-T207 VanDerWaalsContact O-N 3.13Å; K203-T207 PolarHBondContact O-OG1 2.8Å; N204-T207 WeakPolarHBondContact O-CB 3.38Å; N204-T207 PolarHBondContact O-N 3.38Å; N204-T207 VanDerWaalsContact O-N 3.14Å; V205-T207 VanDerWaalsContact C-N 3.32Å; V205-T207 PolarHBondContact O-N 3.42Å; T207-T210 PolarHBondContact O-N 2.87Å; T207-H211 PolarHBondContact O-CD2 2.93Å; T207-H211 PolarHBondContact O-N 3.46Å
208V90.2Very high85.7Confident5 Ų554.6 Ų54.63%0.0330%0.295CS..Hα-helixtrans-63.9-43.3177.9175.50000111.5M189 A190 N204 V205 T210 H211 I212 L416M189-V208 HydrophobicContact CB-CG2 3.92Å; A190-V208 HydrophobicContact CB-CG1 4.37Å; N204-V208 VanDerWaalsContact O-CG2 3.32Å; N204-V208 WeakPolarHBondContact O-CG2 3.23Å; N204-V208 PolarHBondContact O-N 3.47Å; V205-V208 PolarHBondContact O-N 2.94Å; V208-T210 VanDerWaalsContact C-N 3.3Å; V208-T210 PolarHBondContact O-N 3.41Å; V208-H211 PolarHBondContact O-N 2.71Å; V208-I212 HydrophobicContact CG1-CD1 3.94Å; V208-I212 HydrophobicContact CG1-CG1 4.42Å; V208-I212 VanDerWaalsContact O-CG1 3.32Å; V208-I212 WeakPolarHBondContact O-CG1 3.17Å; V208-I212 PolarHBondContact O-N 3.37Å; V208-L416 HydrophobicContact CB-CD2 3.93Å; V208-L416 HydrophobicContact CG1-CD1 4.38Å; V208-L416 HydrophobicContact CG1-CD2 3.71Å
209A91.1Very high84.9Confident0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-60.9-40.3176.400000111.7V205 I212 R213 L416 E419 L420V205-A209 VanDerWaalsContact O-CB 3.26Å; V205-A209 WeakPolarHBondContact O-CB 3.32Å; V205-A209 PolarHBondContact O-N 3.19Å; A209-I212 PolarHBondContact O-N 2.95Å; A209-R213 PolarHBondContact O-N 2.84Å; A209-L416 HydrophobicContact CB-CD2 4.23Å; A209-E419 HydrophobicContact CB-CB 3.95Å; A209-L420 HydrophobicContact CB-CD2 4.13Å; A209-L420 HydrophobicContact CB-CG 4.2Å; A209-L420 WeakPolarHBondContact O-CD2 3.33Å
210T88.6Confident84.2Confident31 Ų3151.4 Ų51.419%0.1926%0.256CS..Hα-helixtrans-65.1-43175.4-59.60000111.5H206 T207 V208 R213 Q214H206-T210 WeakPolarHBondContact O-CB 3.25Å; H206-T210 PolarHBondContact O-N 3.48Å; H206-T210 PolarHBondContact O-OG1 2.89Å; T207-T210 PolarHBondContact O-N 2.87Å; V208-T210 VanDerWaalsContact C-N 3.3Å; V208-T210 PolarHBondContact O-N 3.41Å; T210-R213 PolarHBondContact O-N 3.32Å; T210-Q214 HydrophobicContact CG2-CG 4.48Å; T210-Q214 WeakPolarHBondContact O-CB 3.34Å; T210-Q214 VanDerWaalsContact O-CG 3.32Å; T210-Q214 WeakPolarHBondContact O-CG 3.42Å; T210-Q214 PolarHBondContact O-N 3.08Å
211H86.8Confident83Confident80 Ų8055.9 Ų55.937%0.3727%0.273SS..Hα-helixtrans-61.8-42.9173.2-80.7-68.4000112.5M189 T207 V208 Q214 S215M189-H211 HydrophobicContact CE-CB 4.28Å; T207-H211 PolarHBondContact O-CD2 2.93Å; T207-H211 PolarHBondContact O-N 3.46Å; V208-H211 PolarHBondContact O-N 2.71Å; H211-Q214 PolarHBondContact O-N 3.15Å; H211-S215 WeakPolarHBondContact O-CB 3.41Å; H211-S215 PolarHBondContact O-N 3.17Å; H211-S215 PolarHBondContact O-OG 3.28Å
212I87.7Confident81.6Confident1 Ų155.5 Ų55.51%0.00528%0.275CS..Hα-helixtrans-58.3-50.9174.6-70.2166.9000109.7I186 V208 A209 Q214 S215 L216 L400 I404 L416 L420I186-I212 HydrophobicContact CD1-CG1 4.13Å; I186-I212 HydrophobicContact CG2-CD1 4.04Å; I186-I212 HydrophobicContact CG2-CG1 3.64Å; V208-I212 HydrophobicContact CG1-CD1 3.94Å; V208-I212 HydrophobicContact CG1-CG1 4.42Å; V208-I212 VanDerWaalsContact O-CG1 3.32Å; V208-I212 WeakPolarHBondContact O-CG1 3.17Å; V208-I212 PolarHBondContact O-N 3.37Å; A209-I212 PolarHBondContact O-N 2.95Å; I212-Q214 PolarHBondContact O-N 2.9Å; I212-S215 PolarHBondContact O-N 3.47Å; I212-S215 PolarHBondContact O-OG 3.04Å; I212-L216 HydrophobicContact CG2-CD1 3.87Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 2.97Å; I212-L400 HydrophobicContact CG1-CD2 4.17Å; I212-L400 HydrophobicContact CG2-CD2 4.09Å; I212-I404 HydrophobicContact CD1-CD1 3.97Å; I212-L416 HydrophobicContact CD1-CD2 4.38Å; I212-L420 HydrophobicContact CG2-CD1 4.18Å; I212-L420 HydrophobicContact CG2-CD2 4.41Å
213R86.7Confident79.9Confident76 Ų7660.1 Ų60.129%0.28728%0.282SS..Hα-helixtrans-59.7-49.2-179.9-173178.46776.5-0.3112.1A209 T210 S215 L216 E217 L420A209-R213 PolarHBondContact O-N 2.84Å; T210-R213 PolarHBondContact O-N 3.32Å; R213-S215 VanDerWaalsContact C-N 3.27Å; R213-S215 PolarHBondContact O-N 3.02Å; R213-L216 PolarHBondContact O-N 3.19Å; R213-E217 IonicContact CZ-OE1 3.22Å; R213-E217 IonicContact NH1-OE1 3.03Å; R213-E217 PolarHBondContact NH1-OE1 3.39Å; R213-E217 IonicContact NH1-OE2 3.63Å; R213-E217 PolarHBondContact NH1-OE2 2.85Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 3.5Å; R213-L420 HydrophobicContact CB-CD2 4.34Å
214Q84Confident77.9Confident100 Ų10056.7 Ų56.747%0.46728%0.275SS..Hα-helixtrans-59.2-39.5177.9-74.5176.5-10.600111.6T210 H211 I212 E217 L218T210-Q214 HydrophobicContact CG2-CG 4.48Å; T210-Q214 WeakPolarHBondContact O-CB 3.34Å; T210-Q214 VanDerWaalsContact O-CG 3.32Å; T210-Q214 WeakPolarHBondContact O-CG 3.42Å; T210-Q214 PolarHBondContact O-N 3.08Å; H211-Q214 PolarHBondContact O-N 3.15Å; I212-Q214 PolarHBondContact O-N 2.9Å; Q214-E217 PolarHBondContact O-N 3.37Å; Q214-L218 WeakPolarHBondContact O-CB 3.45Å; Q214-L218 PolarHBondContact O-N 3.2Å
215S79.5Confident75.9Confident5 Ų560.7 Ų60.74%0.03530%0.302CS..Hα-helixtrans-68.7-40.1178.674.10000113.7H182 H211 I212 R213 E217 L218 Q219H182-S215 WeakPolarHBondContact CE1-CB 2.97Å; H182-S215 PolarHBondContact CE1-OG 3.23Å; H182-S215 WeakPolarHBondContact NE2-CB 3.49Å; H211-S215 WeakPolarHBondContact O-CB 3.41Å; H211-S215 PolarHBondContact O-N 3.17Å; H211-S215 PolarHBondContact O-OG 3.28Å; I212-S215 PolarHBondContact O-N 3.47Å; I212-S215 PolarHBondContact O-OG 3.04Å; R213-S215 VanDerWaalsContact C-N 3.27Å; R213-S215 PolarHBondContact O-N 3.02Å; S215-E217 VanDerWaalsContact C-N 3.27Å; S215-E217 PolarHBondContact O-N 3.19Å; S215-L218 PolarHBondContact O-N 2.98Å; S215-Q219 WeakPolarHBondContact O-CG 3.04Å; S215-Q219 PolarHBondContact O-N 3.44Å
216L80.5Confident73.8Confident13 Ų1363.1 Ų63.17%0.06833%0.327CS..Hα-helixtrans-67.6-31.4174.9-67.9174000111.1I212 R213 R220 D396I212-L216 HydrophobicContact CG2-CD1 3.87Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 2.97Å; R213-L216 PolarHBondContact O-N 3.19Å; L216-R220 WeakPolarHBondContact O-CG 3.43Å; L216-R220 PolarHBondContact O-NE 2.94Å; L216-D396 HydrophobicContact CD2-CB 4.42Å
217E77.1Confident71.5Confident60 Ų6069.3 Ų69.328%0.2835%0.353SS..Hα-helixtrans-69.8-45.6171.7-75173.4-179.600111.4R213 Q214 S215 Q219 R220 E221R213-E217 IonicContact CZ-OE1 3.22Å; R213-E217 IonicContact NH1-OE1 3.03Å; R213-E217 PolarHBondContact NH1-OE1 3.39Å; R213-E217 IonicContact NH1-OE2 3.63Å; R213-E217 PolarHBondContact NH1-OE2 2.85Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 3.5Å; Q214-E217 PolarHBondContact O-N 3.37Å; S215-E217 VanDerWaalsContact C-N 3.27Å; S215-E217 PolarHBondContact O-N 3.19Å; E217-Q219 VanDerWaalsContact C-N 3.3Å; E217-Q219 PolarHBondContact O-N 3.28Å; E217-R220 WeakPolarHBondContact O-CA 3.49Å; E217-R220 WeakPolarHBondContact O-CB 3.36Å; E217-R220 PolarHBondContact O-N 2.91Å; E217-E221 PolarHBondContact O-N 3.29Å
218L68.5Low69.5Low65 Ų6571 Ų7134%0.3436%0.358SS..Hα-helixtrans-58.7-41177.1-171.974.4000112.1Q214 S215 R220 E221 L222Q214-L218 WeakPolarHBondContact O-CB 3.45Å; Q214-L218 PolarHBondContact O-N 3.2Å; S215-L218 PolarHBondContact O-N 2.98Å; L218-R220 PolarHBondContact O-N 3Å; L218-E221 PolarHBondContact O-N 2.97Å; L218-L222 HydrophobicContact CD2-CD1 4.42Å; L218-L222 HydrophobicContact CG-CD1 4.13Å; L218-L222 WeakPolarHBondContact O-CG 3.11Å; L218-L222 PolarHBondContact O-N 2.69Å; L218-L222 VanDerWaalsContact O-N 3.1Å
219Q66.6Low67.6Low49 Ų4975.6 Ų75.623%0.22939%0.39CS..Hα-helixtrans-62.8-23.5175.9-73.9177.81.600113S215 E217S215-Q219 WeakPolarHBondContact O-CG 3.04Å; S215-Q219 PolarHBondContact O-N 3.44Å; E217-Q219 VanDerWaalsContact C-N 3.3Å; E217-Q219 PolarHBondContact O-N 3.28Å
220R68.1Low65.6Low71 Ų7177.5 Ų77.527%0.26841%0.41SS..Hα-helixtrans-73.3-35.1173.4-60.5165.2-168.9-158.1-6.7111.9L216 E217 L218 K223 H391 V392L216-R220 WeakPolarHBondContact O-CG 3.43Å; L216-R220 PolarHBondContact O-NE 2.94Å; E217-R220 WeakPolarHBondContact O-CA 3.49Å; E217-R220 WeakPolarHBondContact O-CB 3.36Å; E217-R220 PolarHBondContact O-N 2.91Å; L218-R220 PolarHBondContact O-N 3Å; R220-K223 WeakPolarHBondContact O-CG 3.46Å; R220-H391 PolarHBondContact NH1-O 3.41Å; R220-H391 PolarHBondContact NH2-O 3.02Å; R220-V392 PolarHBondContact NH2-O 3.2Å
221E63.1Low63.7Low146 Ų14681.5 Ų81.568%0.68242%0.424SS*.Hα-helixtrans-80.1-29.1-177.4-65.6-167.6168.300112.7E217 L218 K223E217-E221 PolarHBondContact O-N 3.29Å; L218-E221 PolarHBondContact O-N 2.97Å; E221-K223 PolarHBondContact O-N 3.07Å
222L58.1Low62.1Low49 Ų4978.5 Ų78.526%0.25741%0.411SS..  trans-67.522.7178.1-72.2168.5000114.7K129 L218 T224K129-L222 HydrophobicContact CB-CD2 3.88Å; K129-L222 HydrophobicContact CD-CD2 3.4Å; K129-L222 HydrophobicContact CG-CD2 4.23Å; L218-L222 HydrophobicContact CD2-CD1 4.42Å; L218-L222 HydrophobicContact CG-CD1 4.13Å; L218-L222 WeakPolarHBondContact O-CG 3.11Å; L218-L222 PolarHBondContact O-N 2.69Å; L218-L222 VanDerWaalsContact O-N 3.1Å; L222-T224 PolarHBondContact O-N 2.95Å
223K50.6Low60.4Low142 Ų14281.4 Ų81.462%0.61743%0.429SS*.  trans-59.2-5.2176.5-88.5177.6175.5-174.80115.1R220 E221 K236R220-K223 WeakPolarHBondContact O-CG 3.46Å; E221-K223 PolarHBondContact O-N 3.07Å; K223-K236 WeakPolarHBondContact O-CE 3.35Å; K223-K236 PolarHBondContact O-NZ 2.96Å
224T47Very low58.7Low89 Ų8986.2 Ų86.255%0.54645%0.448SS..  trans-111.6131.1-166.428.50000115.8K129 L222K129-T224 PolarHBondContact NZ-O 2.76Å; L222-T224 PolarHBondContact O-N 2.95Å
225T46.6Very low57.4Low132 Ų13281.8 Ų81.881%0.8143%0.429SS*.  trans78.268.11520.80000119.5
226G47.2Very low56.2Low53 Ų5385.6 Ų85.655%0.54645%0.445SS..  trans-165.6125.6163.800000113.6L228G226-L228 PolarHBondContact O-N 2.92Å; G226-L228 VanDerWaalsContact O-N 3.16Å
227K45.1Very low55Low223 Ų22392.7 Ų92.797%0.9748%0.478SS*.  trans-75.787.6167.7-72.6-179.4178.2178.30108.6
228L47Very low54.2Low101 Ų10198.8 Ų98.853%0.52950%0.499SS..  trans-103.3157.7168.4-96.3103.2000111G226 L232 V233G226-L228 PolarHBondContact O-N 2.92Å; G226-L228 VanDerWaalsContact O-N 3.16Å; L228-L232 HydrophobicContact CB-CD1 4.4Å; L228-L232 HydrophobicContact CD2-CD1 3.46Å; L228-L232 VanDerWaalsContact CD2-CD1 3.46Å; L228-V233 WeakPolarHBondContact O-CG2 3.4Å
229C49Very low54Low101 Ų10196.3 Ų96.368%0.68249%0.489SS*.  trans-50.3142.9-176-168.80000113.1F231 L232C229-F231 VanDerWaalsContact C-N 3.27Å; C229-F231 PolarHBondContact O-N 3.24Å; C229-L232 PolarHBondContact O-N 3.08Å
230G48.7Very low54.5Low41 Ų4194.4 Ų94.442%0.42348%0.482SS..Hα-helixtrans-52.6-32.8-166.200000116.1L232 V233 Y234G230-L232 VanDerWaalsContact C-N 3.33Å; G230-L232 PolarHBondContact O-N 3.33Å; G230-V233 VanDerWaalsContact O-CB 3.32Å; G230-V233 WeakPolarHBondContact O-CB 3.45Å; G230-V233 PolarHBondContact O-N 3.04Å; G230-V233 VanDerWaalsContact O-N 3.08Å; G230-Y234 VanDerWaalsContact O-CD2 3.23Å; G230-Y234 WeakPolarHBondContact O-CD2 3.42Å; G230-Y234 PolarHBondContact O-N 3.24Å
231F50.4Low54.8Low114 Ų11494.3 Ų94.350%0.548%0.482SS..Hα-helixtrans-62.3-38177-176.6-104.1000113C229 V233 Y234C229-F231 VanDerWaalsContact C-N 3.27Å; C229-F231 PolarHBondContact O-N 3.24Å; F231-V233 VanDerWaalsContact C-N 3.25Å; F231-V233 PolarHBondContact O-N 2.77Å; F231-Y234 PolarHBondContact O-N 3.01Å
232L52.9Low55.6Low17 Ų1787.7 Ų87.79%0.08945%0.452CS..Hα-helixtrans-73.4-20.9177-65.4168.2000112L228 C229 G230 K236L228-L232 HydrophobicContact CB-CD1 4.4Å; L228-L232 HydrophobicContact CD2-CD1 3.46Å; L228-L232 VanDerWaalsContact CD2-CD1 3.46Å; C229-L232 PolarHBondContact O-N 3.08Å; G230-L232 VanDerWaalsContact C-N 3.33Å; G230-L232 PolarHBondContact O-N 3.33Å; L232-K236 PolarHBondContact O-N 3.33Å
233V50.8Low56.9Low62 Ų6285.4 Ų85.438%0.37644%0.44SS..Hα-helixtrans-72.4-37.4174.8-175.80000111L228 G230 F231 K236L228-V233 WeakPolarHBondContact O-CG2 3.4Å; G230-V233 VanDerWaalsContact O-CB 3.32Å; G230-V233 WeakPolarHBondContact O-CB 3.45Å; G230-V233 PolarHBondContact O-N 3.04Å; G230-V233 VanDerWaalsContact O-N 3.08Å; F231-V233 VanDerWaalsContact C-N 3.25Å; F231-V233 PolarHBondContact O-N 2.77Å; V233-K236 VanDerWaalsContact O-CB 3.24Å; V233-K236 WeakPolarHBondContact O-CB 3.17Å; V233-K236 PolarHBondContact O-N 3.32Å
234Y50.8Low58.4Low178 Ų17879.3 Ų79.370%0.69842%0.415SS*.Hα-helixtrans-63.9-41.8176.1-77.1-78.9000112.3G230 F231 K236G230-Y234 VanDerWaalsContact O-CD2 3.23Å; G230-Y234 WeakPolarHBondContact O-CD2 3.42Å; G230-Y234 PolarHBondContact O-N 3.24Å; F231-Y234 PolarHBondContact O-N 3.01Å; Y234-K236 PolarHBondContact O-N 3.13Å
235G56.9Low60.1Low6 Ų675.2 Ų75.26%0.06239%0.39CS..Hα-helixtrans-63.4-28.6174.500000113.9H237 Y238 G239 A240 S244G235-H237 VanDerWaalsContact C-N 3.34Å; G235-H237 PolarHBondContact O-N 3.26Å; G235-Y238 PolarHBondContact O-N 3Å; G235-G239 PolarHBondContact O-N 3.11Å; G235-A240 PolarHBondContact O-N 2.92Å; G235-A240 VanDerWaalsContact O-N 3.08Å; G235-S244 WeakPolarHBondContact CA-OG 3.32Å
236K55Low62.1Low86 Ų8669.1 Ų69.137%0.37435%0.352SS..Hα-helixtrans-64.4-33.4-177.4-167.5179.4175.5-177.60113.2K223 L232 V233 Y234K223-K236 WeakPolarHBondContact O-CE 3.35Å; K223-K236 PolarHBondContact O-NZ 2.96Å; L232-K236 PolarHBondContact O-N 3.33Å; V233-K236 VanDerWaalsContact O-CB 3.24Å; V233-K236 WeakPolarHBondContact O-CB 3.17Å; V233-K236 PolarHBondContact O-N 3.32Å; Y234-K236 PolarHBondContact O-N 3.13Å
237H55.1Low64.1Low162 Ų16267.4 Ų67.475%0.7533%0.33SS*.Hα-helixtrans-76.6-28.2-178.6-80-79.5000113.5G235G235-H237 VanDerWaalsContact C-N 3.34Å; G235-H237 PolarHBondContact O-N 3.26Å
238Y59.9Low66.2Low187 Ų18760.3 Ų60.373%0.73330%0.3SS*.Hα-helixtrans-94.7-0.8-177.6-69.1-79.7000114.1G235G235-Y238 PolarHBondContact O-N 3Å
239G64.6Low68.2Low13 Ų1355.7 Ų55.713%0.13428%0.275CS..THydrogen-bonded Turntrans64.842.1-172.900000112.1G235 D396G235-G239 PolarHBondContact O-N 3.11Å; G239-D396 VanDerWaalsContact O-OD2 3.13Å
240A76.8Confident70.3Confident10 Ų1051.2 Ų51.28%0.08324%0.244CC..  trans-121.133.3179.800000110.9G235 S244 P395 D396G235-A240 PolarHBondContact O-N 2.92Å; G235-A240 VanDerWaalsContact O-N 3.08Å; A240-S244 VanDerWaalsContact O-CB 3.25Å; A240-S244 WeakPolarHBondContact O-CB 3.45Å; A240-S244 PolarHBondContact O-N 3.06Å; A240-S244 PolarHBondContact O-OG 2.81Å; A240-P395 HydrophobicContact CB-CB 3.96Å; A240-P395 HydrophobicContact CB-CG 4.21Å; A240-D396 VanDerWaalsContact CA-CG 3.5Å; A240-D396 WeakPolarHBondContact CA-OD1 3.32Å; A240-D396 WeakPolarHBondContact CA-OD2 3.5Å
241Y75.5Confident72.3Confident69 Ų6953.9 Ų53.927%0.27124%0.244SC..Hα-helixtrans-67.1-48.2-171.3172.8-99.7000111.9T243 S244 L245 D396Y241-T243 VanDerWaalsContact C-N 3.32Å; Y241-S244 PolarHBondContact O-N 2.75Å; Y241-L245 WeakPolarHBondContact O-CB 3.49Å; Y241-L245 PolarHBondContact O-N 2.61Å; Y241-D396 PolarHBondContact N-OD1 2.69Å; Y241-D396 PolarHBondContact N-OD2 3.15Å
242V80.2Confident74.3Confident6 Ų649.9 Ų49.94%0.03623%0.228CC..Hα-helixtrans-64.9-42.7179.8178.30000109.9W119 V183 L245 Y246 D396 F399W119-V242 HydrophobicContact CH2-CG1 4.25Å; V183-V242 HydrophobicContact CG2-CG1 3.92Å; V242-L245 PolarHBondContact O-N 2.93Å; V242-Y246 WeakPolarHBondContact O-CB 3.43Å; V242-Y246 PolarHBondContact O-N 3.19Å; V242-D396 PolarHBondContact N-OD1 3Å; V242-D396 PolarHBondContact N-OD2 3.23Å; V242-F399 HydrophobicContact CG1-CD1 4.17Å; V242-F399 HydrophobicContact CG1-CE1 4.01Å
243T85.5Confident76.2Confident1 Ų149.5 Ų49.51%0.00623%0.226CC..Hα-helixtrans-63.9-42.8178.3-45.40000111.4Y241 Y246 L247 T355 D396 F399Y241-T243 VanDerWaalsContact C-N 3.32Å; T243-Y246 PolarHBondContact O-N 3.03Å; T243-L247 WeakPolarHBondContact O-CG 3.23Å; T243-L247 PolarHBondContact O-N 2.77Å; T243-T355 HydrophobicContact CG2-CG2 3.47Å; T243-T355 VanDerWaalsContact CG2-CG2 3.47Å; T243-T355 WeakPolarHBondContact CG2-OG1 3.19Å; T243-D396 WeakPolarHBondContact CB-OD1 3.1Å; T243-D396 PolarHBondContact N-OD1 3.05Å; T243-D396 WeakPolarHBondContact OG1-CA 3.26Å; T243-D396 PolarHBondContact OG1-OD1 3.47Å; T243-F399 HydrophobicContact CG2-CB 4.15Å; T243-F399 HydrophobicContact CG2-CD2 4.24Å; T243-F399 HydrophobicContact CG2-CG 4.21Å; T243-F399 WeakPolarHBondContact OG1-CB 3.47Å
244S82.2Confident78.2Confident14 Ų1448.1 Ų48.110%0.09822%0.216CC..Hα-helixtrans-64.5-39.1175.3-69.10000112.6G235 A240 Y241 Y246 L247 F248G235-S244 WeakPolarHBondContact CA-OG 3.32Å; A240-S244 VanDerWaalsContact O-CB 3.25Å; A240-S244 WeakPolarHBondContact O-CB 3.45Å; A240-S244 PolarHBondContact O-N 3.06Å; A240-S244 PolarHBondContact O-OG 2.81Å; Y241-S244 PolarHBondContact O-N 2.75Å; S244-Y246 VanDerWaalsContact C-N 3.34Å; S244-L247 PolarHBondContact O-N 3.39Å; S244-F248 WeakPolarHBondContact O-CB 3.45Å; S244-F248 PolarHBondContact O-N 2.73Å
245L82.6Confident80.2Confident4 Ų443.8 Ų43.82%0.02120%0.204CC..Hα-helixtrans-63-43174-177.665.6000110.8W119 T122 N123 Y241 V242 F248 I249W119-L245 HydrophobicContact CE3-CD2 4.34Å; W119-L245 HydrophobicContact CE3-CG 4.17Å; W119-L245 HydrophobicContact CZ3-CB 4.29Å; W119-L245 HydrophobicContact CZ3-CD2 4.07Å; W119-L245 HydrophobicContact CZ3-CG 3.93Å; T122-L245 HydrophobicContact CG2-CD1 4.39Å; N123-L245 WeakPolarHBondContact OD1-CD2 3.48Å; Y241-L245 WeakPolarHBondContact O-CB 3.49Å; Y241-L245 PolarHBondContact O-N 2.61Å; V242-L245 PolarHBondContact O-N 2.93Å; L245-F248 WeakPolarHBondContact O-CB 3.25Å; L245-F248 PolarHBondContact O-N 3.17Å; L245-I249 WeakPolarHBondContact O-CG1 3.35Å; L245-I249 PolarHBondContact O-N 3.03Å
246Y87.9Confident81.9Confident4 Ų444.3 Ų44.32%0.01621%0.206CC..Hα-helixtrans-63.7-44.4178.1-177.4-108.8000112.2D21 W119 V242 T243 S244 F248 I249 K250 W351 F399D21-Y246 PolarHBondContact OD2-OH 3.4Å; W119-Y246 HydrophobicContact CE3-CD2 4.45Å; W119-Y246 AromaticContact CH2-CD2 3.82Å; W119-Y246 HydrophobicContact CH2-CD2 3.82Å; W119-Y246 HydrophobicContact CH2-CG 4.27Å; W119-Y246 HydrophobicContact CZ2-CD2 4.09Å; W119-Y246 HydrophobicContact CZ3-CD2 4.01Å; W119-Y246 HydrophobicContact CZ3-CG 4.36Å; V242-Y246 WeakPolarHBondContact O-CB 3.43Å; V242-Y246 PolarHBondContact O-N 3.19Å; T243-Y246 PolarHBondContact O-N 3.03Å; S244-Y246 VanDerWaalsContact C-N 3.34Å; Y246-F248 VanDerWaalsContact C-N 3.28Å; Y246-F248 PolarHBondContact O-N 2.9Å; Y246-I249 PolarHBondContact O-N 2.97Å; Y246-I249 VanDerWaalsContact O-N 3.14Å; Y246-K250 HydrophobicContact CE1-CD 4.06Å; Y246-K250 PolarHBondContact O-N 2.89Å; Y246-K250 WeakPolarHBondContact OH-CE 3.44Å; Y246-K250 PolarHBondContact OH-NZ 3.08Å; Y246-W351 AromaticContact CE1-CD2 3.83Å; Y246-W351 HydrophobicContact CE1-CD2 3.83Å; Y246-W351 AromaticContact CE1-CE2 3.88Å; Y246-W351 HydrophobicContact CE1-CE3 4.12Å; Y246-W351 HydrophobicContact CE1-CG 4.24Å; Y246-W351 HydrophobicContact CE1-CH2 4.44Å; Y246-W351 HydrophobicContact CE1-CZ2 4.18Å; Y246-W351 HydrophobicContact CE1-CZ3 4.43Å; Y246-F399 HydrophobicContact CD1-CD2 4.21Å; Y246-F399 AromaticContact CD1-CE2 3.22Å; Y246-F399 HydrophobicContact CD1-CE2 3.22Å; Y246-F399 AromaticContact CD1-CZ 3.52Å; Y246-F399 HydrophobicContact CD1-CZ 3.52Å; Y246-F399 HydrophobicContact CD2-CE2 4.29Å; Y246-F399 AromaticContact CD2-CZ 3.74Å; Y246-F399 HydrophobicContact CD2-CZ 3.74Å; Y246-F399 AromaticContact CE1-CE2 3.39Å; Y246-F399 HydrophobicContact CE1-CE2 3.39Å; Y246-F399 AromaticContact CE1-CZ 3.84Å; Y246-F399 HydrophobicContact CE1-CZ 3.84Å; Y246-F399 HydrophobicContact CE2-CE2 4.46Å; Y246-F399 HydrophobicContact CE2-CZ 4.1Å; Y246-F399 HydrophobicContact CG-CE1 4.39Å; Y246-F399 AromaticContact CG-CE2 3.69Å; Y246-F399 HydrophobicContact CG-CE2 3.69Å; Y246-F399 AromaticContact CG-CZ 3.43Å; Y246-F399 HydrophobicContact CG-CZ 3.43Å; Y246-F399 VanDerWaalsContact CG-CZ 3.43Å
247L90.2Very high83.7Confident17 Ų1740.2 Ų40.29%0.08919%0.188CC..Hα-helixtrans-60.3-38172.8-72177.4000112.1T243 S244 K250 F251 W351 I352 T355T243-L247 WeakPolarHBondContact O-CG 3.23Å; T243-L247 PolarHBondContact O-N 2.77Å; S244-L247 PolarHBondContact O-N 3.39Å; L247-K250 PolarHBondContact O-N 3.47Å; L247-F251 PolarHBondContact O-N 3.31Å; L247-W351 HydrophobicContact CD2-CB 3.83Å; L247-I352 HydrophobicContact CD2-CG1 4Å; L247-T355 HydrophobicContact CD1-CG2 4.09Å
248F88.4Confident85.4Confident74 Ų7438.1 Ų38.133%0.32518%0.177SC..Hα-helixtrans-63.8-40.6174.5177.3-105.5000112.1S244 L245 Y246 F251 L252S244-F248 WeakPolarHBondContact O-CB 3.45Å; S244-F248 PolarHBondContact O-N 2.73Å; L245-F248 WeakPolarHBondContact O-CB 3.25Å; L245-F248 PolarHBondContact O-N 3.17Å; Y246-F248 VanDerWaalsContact C-N 3.28Å; Y246-F248 PolarHBondContact O-N 2.9Å; F248-F251 WeakPolarHBondContact O-CB 3.47Å; F248-F251 PolarHBondContact O-N 3.27Å; F248-L252 HydrophobicContact CD1-CD1 4.21Å; F248-L252 HydrophobicContact CE1-CD1 3.67Å; F248-L252 HydrophobicContact CE1-CG 4.15Å; F248-L252 HydrophobicContact CZ-CD1 4.08Å; F248-L252 HydrophobicContact CZ-CD2 4.2Å; F248-L252 HydrophobicContact CZ-CG 4.18Å; F248-L252 WeakPolarHBondContact O-CG 3.39Å; F248-L252 PolarHBondContact O-N 2.85Å
249I89.3Confident86.8Confident4 Ų433.6 Ų33.62%0.02117%0.165CC..Hα-helixtrans-64.2-40.8173.7-63.6-52.6000111.7P115 I118 W119 L245 Y246 F251 L252 Y253P115-I249 HydrophobicContact CB-CG2 4.4Å; I118-I249 HydrophobicContact CB-CD1 4.09Å; I118-I249 HydrophobicContact CG2-CD1 3.72Å; W119-I249 HydrophobicContact CB-CD1 4.23Å; W119-I249 HydrophobicContact CB-CG1 3.93Å; W119-I249 HydrophobicContact CB-CG2 4.2Å; W119-I249 HydrophobicContact CD2-CG1 4.33Å; W119-I249 HydrophobicContact CE3-CB 4.42Å; W119-I249 HydrophobicContact CE3-CG1 3.65Å; W119-I249 HydrophobicContact CG-CG1 4.49Å; L245-I249 WeakPolarHBondContact O-CG1 3.35Å; L245-I249 PolarHBondContact O-N 3.03Å; Y246-I249 PolarHBondContact O-N 2.97Å; Y246-I249 VanDerWaalsContact O-N 3.14Å; I249-F251 VanDerWaalsContact C-N 3.3Å; I249-F251 PolarHBondContact O-N 3.39Å; I249-L252 HydrophobicContact CD1-CD1 4.05Å; I249-L252 CarbonylContact O-C 3.55Å; I249-L252 WeakPolarHBondContact O-CA 3.38Å; I249-L252 WeakPolarHBondContact O-CB 3.13Å; I249-L252 PolarHBondContact O-N 2.86Å; I249-Y253 HydrophobicContact CG2-CD2 4.18Å; I249-Y253 HydrophobicContact CG2-CE2 3.71Å; I249-Y253 PolarHBondContact O-N 3.04Å
250K92.2Very high88Confident6 Ų633 Ų333%0.02616%0.159CC..Hα-helixtrans-61.9-38.6174.3-72.1-167.5-175.9-80.20113D21 Y246 L247 L252 Y253 I254 N347 F348 W351D21-K250 IonicContact OD1-NZ 3.21Å; D21-K250 PolarHBondContact OD1-NZ 3.29Å; D21-K250 IonicContact OD2-NZ 2.79Å; D21-K250 PolarHBondContact OD2-NZ 3.38Å; Y246-K250 HydrophobicContact CE1-CD 4.06Å; Y246-K250 PolarHBondContact O-N 2.89Å; Y246-K250 WeakPolarHBondContact OH-CE 3.44Å; Y246-K250 PolarHBondContact OH-NZ 3.08Å; L247-K250 PolarHBondContact O-N 3.47Å; K250-L252 VanDerWaalsContact C-N 3.32Å; K250-L252 PolarHBondContact O-N 3.37Å; K250-Y253 WeakPolarHBondContact O-CB 3.15Å; K250-Y253 PolarHBondContact O-N 3.4Å; K250-I254 PolarHBondContact O-N 2.84Å; K250-I254 VanDerWaalsContact O-N 3.16Å; K250-N347 WeakPolarHBondContact CE-OD1 3.47Å; K250-N347 PolarHBondContact NZ-OD1 3.41Å; K250-F348 HydrophobicContact CB-CD2 3.68Å; K250-F348 HydrophobicContact CB-CE2 4.39Å; K250-W351 HydrophobicContact CD-CB 4.17Å; K250-W351 HydrophobicContact CD-CG 4.04Å
251F92Very high88.6Confident97 Ų9734 Ų3443%0.42516%0.161SC..Hα-helixtrans-61.1-41.7171.3174.5-100.4000111.8L247 F248 I249 Y253 I254 L255 F348L247-F251 PolarHBondContact O-N 3.31Å; F248-F251 WeakPolarHBondContact O-CB 3.47Å; F248-F251 PolarHBondContact O-N 3.27Å; I249-F251 VanDerWaalsContact C-N 3.3Å; I249-F251 PolarHBondContact O-N 3.39Å; F251-Y253 VanDerWaalsContact C-N 3.31Å; F251-Y253 PolarHBondContact O-N 2.97Å; F251-I254 PolarHBondContact O-N 3.47Å; F251-L255 PolarHBondContact O-N 3.45Å; F251-F348 HydrophobicContact CB-CE2 3.94Å; F251-F348 HydrophobicContact CB-CZ 4.15Å; F251-F348 HydrophobicContact CD2-CZ 4.36Å
252L90.9Very high89.1Confident31 Ų3134.2 Ų34.216%0.16217%0.167CC..Hα-helixtrans-63.2-33.6174.3-68.9-179.5000113P115 I118 F248 I249 K250 L255 N256P115-L252 HydrophobicContact CB-CB 4.06Å; P115-L252 HydrophobicContact CG-CB 4.32Å; I118-L252 HydrophobicContact CD1-CD1 3.82Å; I118-L252 HydrophobicContact CG2-CD1 4.41Å; F248-L252 HydrophobicContact CD1-CD1 4.21Å; F248-L252 HydrophobicContact CE1-CD1 3.67Å; F248-L252 HydrophobicContact CE1-CG 4.15Å; F248-L252 HydrophobicContact CZ-CD1 4.08Å; F248-L252 HydrophobicContact CZ-CD2 4.2Å; F248-L252 HydrophobicContact CZ-CG 4.18Å; F248-L252 WeakPolarHBondContact O-CG 3.39Å; F248-L252 PolarHBondContact O-N 2.85Å; I249-L252 HydrophobicContact CD1-CD1 4.05Å; I249-L252 CarbonylContact O-C 3.55Å; I249-L252 WeakPolarHBondContact O-CA 3.38Å; I249-L252 WeakPolarHBondContact O-CB 3.13Å; I249-L252 PolarHBondContact O-N 2.86Å; K250-L252 VanDerWaalsContact C-N 3.32Å; K250-L252 PolarHBondContact O-N 3.37Å; L252-L255 HydrophobicContact CD2-CD2 4.47Å; L252-N256 VanDerWaalsContact O-CB 3.26Å; L252-N256 WeakPolarHBondContact O-CB 3.43Å; L252-N256 PolarHBondContact O-N 3.09Å
253Y92.8Very high89.4Confident8 Ų836.7 Ų36.73%0.03118%0.179CC..Hα-helixtrans-62.2-46.6171.6-75.2-54.5000111.7D21 N24 Y25 P115 C116 I249 K250 F251 N256 V257D21-Y253 HydrophobicContact CB-CE2 4.32Å; N24-Y253 HydrophobicContact CB-CD1 3.54Å; N24-Y253 HydrophobicContact CB-CE1 3.73Å; N24-Y253 HydrophobicContact CB-CG 4.13Å; Y25-Y253 WeakPolarHBondContact CD1-OH 3.34Å; P115-Y253 HydrophobicContact CB-CD1 3.69Å; P115-Y253 HydrophobicContact CB-CE1 3.57Å; P115-Y253 HydrophobicContact CB-CG 4.24Å; P115-Y253 HydrophobicContact CG-CD1 3.76Å; P115-Y253 HydrophobicContact CG-CE1 3.95Å; C116-Y253 WeakPolarHBondContact CB-OH 3.29Å; I249-Y253 HydrophobicContact CG2-CD2 4.18Å; I249-Y253 HydrophobicContact CG2-CE2 3.71Å; I249-Y253 PolarHBondContact O-N 3.04Å; K250-Y253 WeakPolarHBondContact O-CB 3.15Å; K250-Y253 PolarHBondContact O-N 3.4Å; F251-Y253 VanDerWaalsContact C-N 3.31Å; F251-Y253 PolarHBondContact O-N 2.97Å; Y253-N256 PolarHBondContact O-N 2.86Å; Y253-V257 WeakPolarHBondContact O-CG2 2.97Å; Y253-V257 PolarHBondContact O-N 3.36Å
254I94.3Very high89.4Confident33 Ų3336.7 Ų36.717%0.16918%0.179CC..Hα-helixtrans-60.2-49.2176.7-66.8171.5000110.9K250 F251 N256 V257 F258 V345 F348K250-I254 PolarHBondContact O-N 2.84Å; K250-I254 VanDerWaalsContact O-N 3.16Å; F251-I254 PolarHBondContact O-N 3.47Å; I254-N256 VanDerWaalsContact C-N 3.26Å; I254-N256 PolarHBondContact O-N 3.43Å; I254-V257 PolarHBondContact O-N 3.23Å; I254-F258 PolarHBondContact O-N 2.99Å; I254-V345 HydrophobicContact CD1-CG2 4.12Å; I254-V345 HydrophobicContact CG1-CG2 4.14Å; I254-V345 HydrophobicContact CG2-CG2 4.16Å; I254-F348 HydrophobicContact CD1-CB 3.48Å; I254-F348 VanDerWaalsContact CD1-CB 3.48Å; I254-F348 HydrophobicContact CD1-CD1 3.56Å; I254-F348 HydrophobicContact CD1-CD2 4.27Å; I254-F348 HydrophobicContact CD1-CE1 4.28Å; I254-F348 HydrophobicContact CD1-CG 3.52Å
255L92Very high89.5Confident88 Ų8836.6 Ų36.646%0.46118%0.178SC..Hα-helixtrans-58.9-41.9178.7-179.363.5000111F251 L252 L259F251-L255 PolarHBondContact O-N 3.45Å; L252-L255 HydrophobicContact CD2-CD2 4.47Å; L255-L259 VanDerWaalsContact O-CB 3.32Å; L255-L259 WeakPolarHBondContact O-CB 3.42Å; L255-L259 PolarHBondContact O-N 3.38Å
256N92.3Very high89.4Confident16 Ų1645.3 Ų45.39%0.08622%0.215CC..Hα-helixtrans-62.8-51.3176.2179.265.8000110.9L111 F112 P115 L252 Y253 I254 F258 L259 Q260L111-N256 PolarHBondContact O-OD1 3.18Å; F112-N256 WeakPolarHBondContact CA-ND2 3.31Å; F112-N256 WeakPolarHBondContact CD1-ND2 3.27Å; F112-N256 WeakPolarHBondContact CG-ND2 3.39Å; P115-N256 HydrophobicContact CG-CB 4.3Å; L252-N256 VanDerWaalsContact O-CB 3.26Å; L252-N256 WeakPolarHBondContact O-CB 3.43Å; L252-N256 PolarHBondContact O-N 3.09Å; Y253-N256 PolarHBondContact O-N 2.86Å; I254-N256 VanDerWaalsContact C-N 3.26Å; I254-N256 PolarHBondContact O-N 3.43Å; N256-F258 VanDerWaalsContact C-N 3.28Å; N256-F258 PolarHBondContact O-N 3.29Å; N256-L259 PolarHBondContact O-N 2.97Å; N256-L259 VanDerWaalsContact O-N 3.1Å; N256-Q260 WeakPolarHBondContact O-CG 3.45Å; N256-Q260 PolarHBondContact O-N 3.31Å; N256-Q260 PolarHBondContact OD1-NE2 3.25Å
257V92.8Very high89.2Confident1 Ų147 Ų471%0.00622%0.223CC..Hα-helixtrans-58-42.4-179.1-1780000111.4F112 Y253 I254 Q260 F261 V340 T344F112-V257 HydrophobicContact CE1-CG2 3.83Å; Y253-V257 WeakPolarHBondContact O-CG2 2.97Å; Y253-V257 PolarHBondContact O-N 3.36Å; I254-V257 PolarHBondContact O-N 3.23Å; V257-Q260 PolarHBondContact O-N 3.41Å; V257-F261 WeakPolarHBondContact O-CB 3.29Å; V257-F261 PolarHBondContact O-N 3.14Å; V257-V340 HydrophobicContact CG2-CG1 4.12Å; V257-T344 HydrophobicContact CG2-CG2 4.44Å
258F90.8Very high88.5Confident118 Ų11847.5 Ų47.552%0.51823%0.225SC..Hα-helixtrans-63.9-44.2176.3-173-106.2000112.4I254 N256 Q260 F261 L262I254-F258 PolarHBondContact O-N 2.99Å; N256-F258 VanDerWaalsContact C-N 3.28Å; N256-F258 PolarHBondContact O-N 3.29Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-Q260 PolarHBondContact O-N 3.06Å; F258-F261 PolarHBondContact O-N 2.98Å; F258-L262 HydrophobicContact CD1-CD1 3.88Å; F258-L262 HydrophobicContact CD1-CG 4.34Å; F258-L262 HydrophobicContact CE1-CD1 3.45Å; F258-L262 VanDerWaalsContact CE1-CD1 3.45Å; F258-L262 HydrophobicContact CE1-CG 4.06Å; F258-L262 HydrophobicContact CZ-CD1 4.01Å; F258-L262 HydrophobicContact CZ-CD2 4.31Å; F258-L262 HydrophobicContact CZ-CG 4.24Å; F258-L262 WeakPolarHBondContact O-CG 3.31Å; F258-L262 PolarHBondContact O-N 3.41Å
259L89.2Confident87.4Confident92 Ų9246.6 Ų46.648%0.48224%0.237SC..Hα-helixtrans-61.7-40.7176.1-179.362.5000111.9L255 N256 L262 L263L255-L259 VanDerWaalsContact O-CB 3.32Å; L255-L259 WeakPolarHBondContact O-CB 3.42Å; L255-L259 PolarHBondContact O-N 3.38Å; N256-L259 PolarHBondContact O-N 2.97Å; N256-L259 VanDerWaalsContact O-N 3.1Å; L259-L262 PolarHBondContact O-N 2.94Å; L259-L263 WeakPolarHBondContact O-CB 3.32Å; L259-L263 PolarHBondContact O-N 3.4Å
260Q90.9Very high86.2Confident0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-66.3-39.5177.4-62.9-60.9-20.800111.8L111 F112 N256 V257 F258 L263 L264 F337L111-Q260 VanDerWaalsContact CD1-NE2 3.29Å; F112-Q260 HydrophobicContact CD2-CG 3.91Å; F112-Q260 HydrophobicContact CE2-CB 3.75Å; F112-Q260 HydrophobicContact CE2-CG 3.42Å; F112-Q260 VanDerWaalsContact CE2-CG 3.42Å; F112-Q260 HydrophobicContact CZ-CB 3.93Å; F112-Q260 HydrophobicContact CZ-CG 3.8Å; N256-Q260 WeakPolarHBondContact O-CG 3.45Å; N256-Q260 PolarHBondContact O-N 3.31Å; N256-Q260 PolarHBondContact OD1-NE2 3.25Å; V257-Q260 PolarHBondContact O-N 3.41Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-Q260 PolarHBondContact O-N 3.06Å; Q260-L263 PolarHBondContact O-N 2.93Å; Q260-L264 WeakPolarHBondContact O-CB 3.28Å; Q260-L264 PolarHBondContact O-N 2.96Å; Q260-F337 HydrophobicContact CB-CE2 4.39Å
261F88.8Confident84.7Confident30 Ų3056.7 Ų56.713%0.13229%0.286CS..Hα-helixtrans-63.8-43.2174.6-167.4-99.1000111.8V257 F258 L264 N265 W334 F337V257-F261 WeakPolarHBondContact O-CB 3.29Å; V257-F261 PolarHBondContact O-N 3.14Å; F258-F261 PolarHBondContact O-N 2.98Å; F261-L264 PolarHBondContact O-N 3.38Å; F261-N265 VanDerWaalsContact CD1-ND2 3.35Å; F261-N265 WeakPolarHBondContact CD1-ND2 3.29Å; F261-N265 WeakPolarHBondContact CE1-ND2 3.31Å; F261-N265 PolarHBondContact O-N 3.43Å; F261-N265 VanDerWaalsContact O-N 3.09Å; F261-N265 PolarHBondContact O-ND2 3.39Å; F261-N265 VanDerWaalsContact O-ND2 3.11Å; F261-W334 AromaticContact CE2-CD1 3.88Å; F261-W334 HydrophobicContact CE2-CD2 4.45Å; F261-W334 AromaticContact CE2-CE2 3.94Å; F261-W334 HydrophobicContact CE2-CG 4.38Å; F261-W334 HydrophobicContact CE2-CZ2 4.43Å; F261-W334 AromaticContact CE2-NE1 3.61Å; F261-W334 AromaticContact CZ-CE2 3.83Å; F261-W334 HydrophobicContact CZ-CZ2 4.05Å; F261-W334 AromaticContact CZ-NE1 3.45Å; F261-F337 HydrophobicContact CD2-CB 4.05Å
262L85.7Confident83.5Confident75 Ų7555.5 Ų55.539%0.39328%0.279SS..Hα-helixtrans-64.2-40.5173.5-70.2-179000112.5F258 L259 L264 N265 K266F258-L262 HydrophobicContact CD1-CD1 3.88Å; F258-L262 HydrophobicContact CD1-CG 4.34Å; F258-L262 HydrophobicContact CE1-CD1 3.45Å; F258-L262 VanDerWaalsContact CE1-CD1 3.45Å; F258-L262 HydrophobicContact CE1-CG 4.06Å; F258-L262 HydrophobicContact CZ-CD1 4.01Å; F258-L262 HydrophobicContact CZ-CD2 4.31Å; F258-L262 HydrophobicContact CZ-CG 4.24Å; F258-L262 WeakPolarHBondContact O-CG 3.31Å; F258-L262 PolarHBondContact O-N 3.41Å; L259-L262 PolarHBondContact O-N 2.94Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L262-N265 PolarHBondContact O-N 3.45Å; L262-K266 WeakPolarHBondContact O-CB 3.21Å; L262-K266 PolarHBondContact O-N 2.79Å
263L87Confident82.6Confident57 Ų5756.6 Ų56.630%0.29829%0.287SS..Hα-helixtrans-63.7-41.6177.9-172.6140.2000111.3I104 Q108 L259 Q260 K266 F267I104-L263 HydrophobicContact CG2-CD2 3.79Å; Q108-L263 HydrophobicContact CG-CD2 4Å; L259-L263 WeakPolarHBondContact O-CB 3.32Å; L259-L263 PolarHBondContact O-N 3.4Å; Q260-L263 PolarHBondContact O-N 2.93Å; L263-K266 PolarHBondContact O-N 3.42Å; L263-F267 VanDerWaalsContact O-CB 3.25Å; L263-F267 WeakPolarHBondContact O-CB 3.22Å; L263-F267 PolarHBondContact O-N 3.46Å
264L86.1Confident81.9Confident2 Ų262.1 Ų62.11%0.0131%0.311CS..Hα-helixtrans-59.6-48.9174-179.967.2000111.4Q260 F261 L262 K266 F267 L268 W275 Y330 W334 F337Q260-L264 WeakPolarHBondContact O-CB 3.28Å; Q260-L264 PolarHBondContact O-N 2.96Å; F261-L264 PolarHBondContact O-N 3.38Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L264-K266 PolarHBondContact O-N 3.47Å; L264-F267 PolarHBondContact O-N 3.29Å; L264-L268 HydrophobicContact CD1-CD1 3.59Å; L264-L268 HydrophobicContact CG-CD1 4.27Å; L264-L268 VanDerWaalsContact O-CD1 3.25Å; L264-L268 WeakPolarHBondContact O-CD1 3.3Å; L264-L268 PolarHBondContact O-N 2.96Å; L264-W275 HydrophobicContact CD2-CZ2 4.17Å; L264-W275 HydrophobicContact CG-CZ2 4.23Å; L264-Y330 HydrophobicContact CD1-CD1 3.39Å; L264-Y330 HydrophobicContact CD1-CE1 3.64Å; L264-Y330 HydrophobicContact CD1-CG 4.44Å; L264-W334 HydrophobicContact CD2-CB 4.15Å; L264-F337 HydrophobicContact CD2-CD2 4.07Å; L264-F337 HydrophobicContact CD2-CE2 4.31Å
265N83.5Confident81.4Confident11 Ų1160.6 Ų60.66%0.05930%0.304CS..Hα-helixtrans-64-40.8-180-69.2-33.3000112.6F261 L262 F267 T273 W275F261-N265 VanDerWaalsContact CD1-ND2 3.35Å; F261-N265 WeakPolarHBondContact CD1-ND2 3.29Å; F261-N265 WeakPolarHBondContact CE1-ND2 3.31Å; F261-N265 PolarHBondContact O-N 3.43Å; F261-N265 VanDerWaalsContact O-N 3.09Å; F261-N265 PolarHBondContact O-ND2 3.39Å; F261-N265 VanDerWaalsContact O-ND2 3.11Å; L262-N265 PolarHBondContact O-N 3.45Å; N265-F267 VanDerWaalsContact C-N 3.33Å; N265-F267 PolarHBondContact O-N 3.3Å; N265-T273 PolarHBondContact OD1-O 3.3Å; N265-W275 PolarHBondContact OD1-NE1 2.83Å
266K81.4Confident81Confident187 Ų18756.4 Ų56.481%0.81328%0.282SS*.Hα-helixtrans-67.2-34.7177-173.3174.1-179.1178.20112.2L262 L263 L264L262-K266 WeakPolarHBondContact O-CB 3.21Å; L262-K266 PolarHBondContact O-N 2.79Å; L263-K266 PolarHBondContact O-N 3.42Å; L264-K266 PolarHBondContact O-N 3.47Å
267F82.1Confident80.6Confident41 Ų4160.2 Ų60.218%0.1830%0.298CS..Hα-helixtrans-73.6-40.6-175.5-179.6-106.7000113.4Y97 W100 V101 I104 L263 L264 N265 G269 Y330Y97-F267 AromaticContact CD2-CE1 3.9Å; Y97-F267 HydrophobicContact CD2-CE1 3.9Å; Y97-F267 HydrophobicContact CD2-CZ 4.04Å; Y97-F267 HydrophobicContact CG-CE1 4.35Å; Y97-F267 HydrophobicContact CG-CZ 4.24Å; Y97-F267 WeakPolarHBondContact O-CZ 3.47Å; W100-F267 HydrophobicContact CB-CE2 4.25Å; W100-F267 HydrophobicContact CB-CZ 4.38Å; V101-F267 HydrophobicContact CG2-CE1 3.86Å; V101-F267 HydrophobicContact CG2-CZ 3.95Å; I104-F267 HydrophobicContact CD1-CD2 3.37Å; I104-F267 HydrophobicContact CD1-CE1 4.42Å; I104-F267 HydrophobicContact CD1-CE2 3.03Å; I104-F267 HydrophobicContact CD1-CG 4.17Å; I104-F267 HydrophobicContact CD1-CZ 3.6Å; I104-F267 HydrophobicContact CG1-CE2 4.49Å; L263-F267 VanDerWaalsContact O-CB 3.25Å; L263-F267 WeakPolarHBondContact O-CB 3.22Å; L263-F267 PolarHBondContact O-N 3.46Å; L264-F267 PolarHBondContact O-N 3.29Å; N265-F267 VanDerWaalsContact C-N 3.33Å; N265-F267 PolarHBondContact O-N 3.3Å; F267-G269 PolarHBondContact O-N 2.92Å; F267-Y330 WeakPolarHBondContact CE1-OH 3.29Å
268L75.7Confident80.2Confident26 Ų2663.2 Ų63.214%0.13631%0.312CS..Hα-helixtrans-74.8-16179.6-83.376.4000112.7L264 P270 W275 F295 Y330L264-L268 HydrophobicContact CD1-CD1 3.59Å; L264-L268 HydrophobicContact CG-CD1 4.27Å; L264-L268 VanDerWaalsContact O-CD1 3.25Å; L264-L268 WeakPolarHBondContact O-CD1 3.3Å; L264-L268 PolarHBondContact O-N 2.96Å; L268-P270 VanDerWaalsContact CB-CD 3.49Å; L268-P270 HydrophobicContact CB-CG 4.3Å; L268-P270 VanDerWaalsContact O-CD 3.26Å; L268-P270 WeakPolarHBondContact O-CD 3.32Å; L268-W275 HydrophobicContact CD2-CH2 3.56Å; L268-W275 HydrophobicContact CD2-CZ2 3.52Å; L268-W275 HydrophobicContact CD2-CZ3 4.1Å; L268-F295 HydrophobicContact CD2-CE1 4.03Å; L268-F295 HydrophobicContact CD2-CE2 4.26Å; L268-F295 HydrophobicContact CD2-CZ 3.38Å; L268-F295 HydrophobicContact CG-CZ 4.33Å; L268-Y330 HydrophobicContact CD1-CD1 3.95Å; L268-Y330 HydrophobicContact CD1-CD2 4.31Å; L268-Y330 HydrophobicContact CD1-CE1 3.98Å; L268-Y330 HydrophobicContact CD1-CE2 4.35Å; L268-Y330 HydrophobicContact CD1-CG 4.1Å; L268-Y330 HydrophobicContact CD2-CD2 4.37Å; L268-Y330 HydrophobicContact CD2-CG 4.19Å
269G65.1Low79.8Confident55 Ų5558.2 Ų58.257%0.56729%0.29SS*.  trans79.6-1.4179.600000118.7F267 Q271F267-G269 PolarHBondContact O-N 2.92Å; G269-Q271 PolarHBondContact O-N 3.31Å
270P65.4Low79.6Confident20 Ų2057.9 Ų57.913%0.1329%0.289CS..  trans-68.1137.9172.828.8-32.1000109.8L268 Y272 W275L268-P270 VanDerWaalsContact CB-CD 3.49Å; L268-P270 HydrophobicContact CB-CG 4.3Å; L268-P270 VanDerWaalsContact O-CD 3.26Å; L268-P270 WeakPolarHBondContact O-CD 3.32Å; P270-Y272 HydrophobicContact CB-CD1 3.98Å; P270-Y272 HydrophobicContact CB-CE1 3.71Å; P270-Y272 PolarHBondContact O-N 3.27Å; P270-Y272 VanDerWaalsContact O-N 3.11Å; P270-W275 HydrophobicContact CB-CB 4.27Å; P270-W275 HydrophobicContact CB-CG 4.42Å; P270-W275 HydrophobicContact CG-CB 4.1Å; P270-W275 VanDerWaalsContact CG-CD1 3.44Å; P270-W275 HydrophobicContact CG-CD2 4.45Å; P270-W275 HydrophobicContact CG-CG 3.73Å
271Q60.7Low79.4Confident203 Ų20363.4 Ų63.495%0.94931%0.309SS*.SBendtrans-69.3-6.1179.8-63.4-177.56.300113.3G269G269-Q271 PolarHBondContact O-N 3.31Å
272Y67Low79.2Confident71 Ų7162.7 Ų62.728%0.27831%0.307SS..  trans-122.9136.9-173.356.8-79.6000110.8P270 F274 W275 E278 H294P270-Y272 HydrophobicContact CB-CD1 3.98Å; P270-Y272 HydrophobicContact CB-CE1 3.71Å; P270-Y272 PolarHBondContact O-N 3.27Å; P270-Y272 VanDerWaalsContact O-N 3.11Å; Y272-F274 VanDerWaalsContact C-N 3.32Å; Y272-F274 PolarHBondContact O-N 3.21Å; Y272-W275 HydrophobicContact CD2-CB 3.75Å; Y272-W275 HydrophobicContact CE2-CB 3.27Å; Y272-E278 HydrophobicContact CE2-CB 4.18Å; Y272-E278 HydrophobicContact CE2-CG 4.47Å; Y272-E278 WeakPolarHBondContact CE2-OE2 3.45Å; Y272-H294 AromaticContact CZ-NE2 3.92Å; Y272-H294 PolarHBondContact OH-CE1 2.99Å; Y272-H294 PolarHBondContact OH-NE2 3.42Å
273T70.8Confident79.1Confident54 Ų5463.3 Ų63.333%0.33131%0.31SS..THydrogen-bonded Turntrans-76.2-18.7-174.250.30000114N265 W334N265-T273 PolarHBondContact OD1-O 3.3Å; T273-W334 PolarHBondContact O-NE1 3.22Å
274F79.2Confident79.1Confident124 Ų12464.7 Ų64.754%0.54433%0.33SS..THydrogen-bonded Turntrans-101.225.3-173.2-63.6-71000113.5Y272 G276 F277 W334Y272-F274 VanDerWaalsContact C-N 3.32Å; Y272-F274 PolarHBondContact O-N 3.21Å; F274-G276 PolarHBondContact O-N 3.46Å; F274-F277 HydrophobicContact CB-CD2 4.3Å; F274-F277 HydrophobicContact CD1-CD2 4.18Å; F274-F277 HydrophobicContact CD1-CE2 4.14Å; F274-F277 PolarHBondContact O-N 2.91Å; F274-W334 HydrophobicContact CD1-CZ2 4.31Å
275W82.2Confident79.2Confident1 Ų173 Ų730%0.00436%0.362CS..Hα-helixtrans-60.7-26.9-179.164.8-95000114.2L264 N265 L268 P270 Y272 F277 E278 I279 F295 L331 W334L264-W275 HydrophobicContact CD2-CZ2 4.17Å; L264-W275 HydrophobicContact CG-CZ2 4.23Å; N265-W275 PolarHBondContact OD1-NE1 2.83Å; L268-W275 HydrophobicContact CD2-CH2 3.56Å; L268-W275 HydrophobicContact CD2-CZ2 3.52Å; L268-W275 HydrophobicContact CD2-CZ3 4.1Å; P270-W275 HydrophobicContact CB-CB 4.27Å; P270-W275 HydrophobicContact CB-CG 4.42Å; P270-W275 HydrophobicContact CG-CB 4.1Å; P270-W275 VanDerWaalsContact CG-CD1 3.44Å; P270-W275 HydrophobicContact CG-CD2 4.45Å; P270-W275 HydrophobicContact CG-CG 3.73Å; Y272-W275 HydrophobicContact CD2-CB 3.75Å; Y272-W275 HydrophobicContact CE2-CB 3.27Å; W275-F277 VanDerWaalsContact C-N 3.28Å; W275-F277 PolarHBondContact O-N 2.92Å; W275-E278 PolarHBondContact O-N 3.34Å; W275-I279 HydrophobicContact CE3-CD1 3.38Å; W275-I279 HydrophobicContact CE3-CG1 4.12Å; W275-I279 HydrophobicContact CZ3-CD1 3.76Å; W275-I279 WeakPolarHBondContact O-CG1 3.47Å; W275-I279 PolarHBondContact O-N 3Å; W275-F295 HydrophobicContact CZ3-CE2 4.45Å; W275-L331 HydrophobicContact CZ3-CD2 3.98Å; W275-W334 AromaticContact CE2-CD1 3.56Å; W275-W334 HydrophobicContact CH2-CB 3.96Å; W275-W334 HydrophobicContact CH2-CG 4.27Å; W275-W334 HydrophobicContact CZ2-CB 4.04Å; W275-W334 AromaticContact CZ2-CD1 3.51Å; W275-W334 HydrophobicContact CZ2-CG 4.04Å; W275-W334 AromaticContact NE1-CD1 3.75Å
276G83.8Confident79.3Confident0 Ų075.3 Ų75.30%039%0.388CS..Hα-helixtrans-61.6-33.5176.800000113.9F274 L280F274-G276 PolarHBondContact O-N 3.46Å; G276-L280 WeakPolarHBondContact O-CB 3.34Å; G276-L280 PolarHBondContact O-N 2.94Å
277F85.4Confident79.3Confident97 Ų9773 Ų7343%0.42538%0.375SS..Hα-helixtrans-73.1-41174-72.5-70.6000111.9F274 W275 L280 R281 W334 W335 L338F274-F277 HydrophobicContact CB-CD2 4.3Å; F274-F277 HydrophobicContact CD1-CD2 4.18Å; F274-F277 HydrophobicContact CD1-CE2 4.14Å; F274-F277 PolarHBondContact O-N 2.91Å; W275-F277 VanDerWaalsContact C-N 3.28Å; W275-F277 PolarHBondContact O-N 2.92Å; F277-L280 PolarHBondContact O-N 2.98Å; F277-R281 WeakPolarHBondContact O-CB 3.39Å; F277-R281 PolarHBondContact O-N 3.34Å; F277-W334 AromaticContact CD2-CH2 3.37Å; F277-W334 HydrophobicContact CD2-CH2 3.37Å; F277-W334 AromaticContact CD2-CZ2 4Å; F277-W334 HydrophobicContact CD2-CZ2 4Å; F277-W334 HydrophobicContact CD2-CZ3 4.21Å; F277-W334 HydrophobicContact CE1-CH2 4.5Å; F277-W334 AromaticContact CE2-CH2 3.34Å; F277-W334 HydrophobicContact CE2-CH2 3.34Å; F277-W334 HydrophobicContact CE2-CZ2 4.16Å; F277-W334 HydrophobicContact CE2-CZ3 4.21Å; F277-W334 HydrophobicContact CG-CH2 4.02Å; F277-W334 HydrophobicContact CG-CZ3 4.46Å; F277-W334 AromaticContact CZ-CH2 3.91Å; F277-W334 HydrophobicContact CZ-CH2 3.91Å; F277-W334 HydrophobicContact CZ-CZ3 4.4Å; F277-W335 AromaticContact CD1-CH2 3.46Å; F277-W335 HydrophobicContact CD1-CH2 3.46Å; F277-W335 VanDerWaalsContact CD1-CH2 3.46Å; F277-W335 AromaticContact CD1-CZ2 3.75Å; F277-W335 HydrophobicContact CD1-CZ2 3.75Å; F277-W335 HydrophobicContact CD1-CZ3 4.41Å; F277-W335 AromaticContact CE1-CH2 3.17Å; F277-W335 HydrophobicContact CE1-CH2 3.17Å; F277-W335 AromaticContact CE1-CZ2 3.94Å; F277-W335 HydrophobicContact CE1-CZ2 3.94Å; F277-W335 AromaticContact CE1-CZ3 3.76Å; F277-W335 HydrophobicContact CE1-CZ3 3.76Å; F277-W335 HydrophobicContact CZ-CH2 4.06Å; F277-W335 HydrophobicContact CZ-CZ3 4.25Å; F277-L338 HydrophobicContact CZ-CD2 4.1Å
278E83.1Confident79.3Confident63 Ų6376.6 Ų76.629%0.29439%0.392SS..Hα-helixtrans-66.6-45.2-179.2178.7148.8-138.900111.7Y272 W275 L280 R281 D282Y272-E278 HydrophobicContact CE2-CB 4.18Å; Y272-E278 HydrophobicContact CE2-CG 4.47Å; Y272-E278 WeakPolarHBondContact CE2-OE2 3.45Å; W275-E278 PolarHBondContact O-N 3.34Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.42Å; E278-R281 WeakPolarHBondContact O-CB 3.39Å; E278-R281 PolarHBondContact O-N 3.21Å; E278-R281 VanDerWaalsContact O-N 3.15Å; E278-R281 IonicContact OE1-CZ 3.35Å; E278-R281 IonicContact OE1-NH2 2.68Å; E278-R281 PolarHBondContact OE1-NH2 3.47Å; E278-D282 WeakPolarHBondContact O-CB 3.41Å; E278-D282 VanDerWaalsContact O-CG 3.3Å; E278-D282 PolarHBondContact O-N 3.28Å
279I82.7Confident79.6Confident14 Ų1476.8 Ų76.87%0.07239%0.391CS..Hα-helixtrans-64.1-37.4175.7-62.2-175.1000111W275 R281 D282 L283 H294 F295 L331W275-I279 HydrophobicContact CE3-CD1 3.38Å; W275-I279 HydrophobicContact CE3-CG1 4.12Å; W275-I279 HydrophobicContact CZ3-CD1 3.76Å; W275-I279 WeakPolarHBondContact O-CG1 3.47Å; W275-I279 PolarHBondContact O-N 3Å; I279-R281 VanDerWaalsContact C-N 3.33Å; I279-D282 PolarHBondContact O-N 3.08Å; I279-L283 VanDerWaalsContact O-CB 3.24Å; I279-L283 WeakPolarHBondContact O-CB 3.2Å; I279-L283 PolarHBondContact O-N 2.75Å; I279-H294 HydrophobicContact CD1-CB 4.37Å; I279-F295 HydrophobicContact CD1-CD2 4.14Å; I279-F295 HydrophobicContact CD1-CE2 3.71Å; I279-L331 HydrophobicContact CB-CD2 3.81Å; I279-L331 HydrophobicContact CD1-CD2 4.45Å; I279-L331 HydrophobicContact CG2-CD1 3.88Å; I279-L331 HydrophobicContact CG2-CD2 3.64Å; I279-L331 HydrophobicContact CG2-CG 4.23Å
280L85Confident80.3Confident85 Ų8578 Ų7845%0.44538%0.382SS..Hα-helixtrans-64.8-40.6175.3-172.768.6000111.5G276 F277 E278 A284 W335G276-L280 WeakPolarHBondContact O-CB 3.34Å; G276-L280 PolarHBondContact O-N 2.94Å; F277-L280 PolarHBondContact O-N 2.98Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.42Å; L280-A284 WeakPolarHBondContact O-CB 3.47Å; L280-A284 PolarHBondContact O-N 3.24Å; L280-W335 HydrophobicContact CD2-CH2 4.38Å; L280-W335 HydrophobicContact CD2-CZ2 3.55Å
281R86.6Confident80.8Confident115 Ų11583.7 Ų83.743%0.43441%0.407SS..Hα-helixtrans-63.4-47.6175.6-176.7-170.468.2-166.5-4.4111F277 E278 I279 L283 A284 Y285F277-R281 WeakPolarHBondContact O-CB 3.39Å; F277-R281 PolarHBondContact O-N 3.34Å; E278-R281 WeakPolarHBondContact O-CB 3.39Å; E278-R281 PolarHBondContact O-N 3.21Å; E278-R281 VanDerWaalsContact O-N 3.15Å; E278-R281 IonicContact OE1-CZ 3.35Å; E278-R281 IonicContact OE1-NH2 2.68Å; E278-R281 PolarHBondContact OE1-NH2 3.47Å; I279-R281 VanDerWaalsContact C-N 3.33Å; R281-L283 VanDerWaalsContact C-N 3.33Å; R281-L283 PolarHBondContact O-N 3.1Å; R281-A284 WeakPolarHBondContact O-CB 3.44Å; R281-A284 PolarHBondContact O-N 3.48Å; R281-A284 VanDerWaalsContact O-N 3.17Å; R281-Y285 HydrophobicContact CG-CD2 3.68Å; R281-Y285 HydrophobicContact CG-CE2 3.38Å; R281-Y285 WeakPolarHBondContact O-CD2 3.26Å; R281-Y285 PolarHBondContact O-N 3.38Å
282D84.3Confident81.6Confident15 Ų1575.9 Ų75.98%0.0838%0.375CS..Hα-helixtrans-63.1-40.9179.2-72.4-8.9000111.2E278 I279 A284 Y285 G286 R287E278-D282 WeakPolarHBondContact O-CB 3.41Å; E278-D282 VanDerWaalsContact O-CG 3.3Å; E278-D282 PolarHBondContact O-N 3.28Å; I279-D282 PolarHBondContact O-N 3.08Å; D282-A284 VanDerWaalsContact C-N 3.34Å; D282-A284 PolarHBondContact O-N 3.08Å; D282-Y285 CarbonylContact O-C 3.56Å; D282-Y285 PolarHBondContact O-N 2.8Å; D282-G286 PolarHBondContact O-N 2.92Å; D282-R287 HydrophobicContact CB-CB 4.13Å; D282-R287 PolarHBondContact O-N 3.46Å; D282-R287 IonicContact OD1-NH1 3.41Å
283L83.4Confident82.1Confident88 Ų8873.8 Ų73.846%0.46138%0.375SS..Hα-helixtrans-65-36.8174.1-172.165.2000112.3I279 R281 Y285 G286I279-L283 VanDerWaalsContact O-CB 3.24Å; I279-L283 WeakPolarHBondContact O-CB 3.2Å; I279-L283 PolarHBondContact O-N 2.75Å; R281-L283 VanDerWaalsContact C-N 3.33Å; R281-L283 PolarHBondContact O-N 3.1Å; L283-Y285 VanDerWaalsContact C-N 3.35Å; L283-G286 PolarHBondContact O-N 3.38Å
284A87.7Confident82.2Confident86 Ų8674.1 Ų74.171%0.71137%0.372SS*.Hα-helixtrans-69.5-31176.100000112.9L280 R281 D282 G286L280-A284 WeakPolarHBondContact O-CB 3.47Å; L280-A284 PolarHBondContact O-N 3.24Å; R281-A284 WeakPolarHBondContact O-CB 3.44Å; R281-A284 PolarHBondContact O-N 3.48Å; R281-A284 VanDerWaalsContact O-N 3.17Å; D282-A284 VanDerWaalsContact C-N 3.34Å; D282-A284 PolarHBondContact O-N 3.08Å; A284-G286 VanDerWaalsContact C-N 3.35Å
285Y88.8Confident82.4Confident177 Ų17768.8 Ų68.869%0.69435%0.349SS*.THydrogen-bonded Turntrans-87-1.3173.8-69.1-60.3000113.9R281 D282 L283R281-Y285 HydrophobicContact CG-CD2 3.68Å; R281-Y285 HydrophobicContact CG-CE2 3.38Å; R281-Y285 WeakPolarHBondContact O-CD2 3.26Å; R281-Y285 PolarHBondContact O-N 3.38Å; D282-Y285 CarbonylContact O-C 3.56Å; D282-Y285 PolarHBondContact O-N 2.8Å; L283-Y285 VanDerWaalsContact C-N 3.35Å
286G84.2Confident82.6Confident59 Ų5968.9 Ų68.961%0.60835%0.35SS*.THydrogen-bonded Turntrans73.821.9179.500000114.6D282 L283 A284D282-G286 PolarHBondContact O-N 2.92Å; L283-G286 PolarHBondContact O-N 3.38Å; A284-G286 VanDerWaalsContact C-N 3.35Å
287R82.6Confident82.9Confident139 Ų13972.9 Ų72.953%0.52537%0.365SS..  trans-75.9124.3173.3-67.9-176.1-179.7-178-4110D282D282-R287 HydrophobicContact CB-CB 4.13Å; D282-R287 PolarHBondContact O-N 3.46Å; D282-R287 IonicContact OD1-NH1 3.41Å
288E82.3Confident83.2Confident116 Ų11669.5 Ų69.554%0.54235%0.352SS..  trans-86.3163.1179.9-61.4-166.7175.300112.6Q290 E291 S292E288-Q290 PolarHBondContact O-N 3.35Å; E288-E291 PolarHBondContact O-N 2.95Å; E288-E291 VanDerWaalsContact O-N 3.07Å; E288-S292 PolarHBondContact O-N 3.17Å
289W80.8Confident83.7Confident30 Ų3066.5 Ų66.511%0.11434%0.338CS..Hα-helixtrans-55.6-21.6176.859.2-87.9000113.7F76 L79 E291 G293 H294 P296 R297 V298F76-W289 HydrophobicContact CE2-CE3 4Å; F76-W289 AromaticContact CE2-CZ3 3.76Å; F76-W289 HydrophobicContact CE2-CZ3 3.76Å; F76-W289 HydrophobicContact CZ-CE3 4.47Å; L79-W289 HydrophobicContact CD1-CH2 4.31Å; W289-E291 VanDerWaalsContact C-N 3.27Å; W289-E291 PolarHBondContact O-N 2.96Å; W289-G293 WeakPolarHBondContact O-CA 3.19Å; W289-G293 PolarHBondContact O-N 3.49Å; W289-H294 WeakPolarHBondContact CB-O 3.13Å; W289-P296 HydrophobicContact CE3-CB 3.9Å; W289-P296 HydrophobicContact CZ3-CB 4.22Å; W289-R297 HydrophobicContact CD2-CB 4.42Å; W289-R297 HydrophobicContact CD2-CG 4.49Å; W289-R297 HydrophobicContact CG-CG 4.45Å; W289-R297 HydrophobicContact CZ2-CB 4.12Å; W289-V298 HydrophobicContact CH2-CB 3.62Å; W289-V298 HydrophobicContact CH2-CG2 3.61Å; W289-V298 HydrophobicContact CZ2-CB 4.48Å; W289-V298 HydrophobicContact CZ2-CG2 4.01Å; W289-V298 HydrophobicContact CZ3-CB 4.2Å
290Q79.7Confident84.1Confident82 Ų8267.3 Ų67.338%0.38334%0.342SS..Hα-helixtrans-62.7-35.3177.5-63.7-173.6-24.900112.1L79 E288L79-Q290 HydrophobicContact CD1-CG 4.49Å; E288-Q290 PolarHBondContact O-N 3.35Å
291E76.3Confident84.5Confident138 Ų13863.3 Ų63.365%0.64532%0.321SS*.Hα-helixtrans-91.6-43.8-179.9-63.7-176175.900111.6E288 W289 G293E288-E291 PolarHBondContact O-N 2.95Å; E288-E291 VanDerWaalsContact O-N 3.07Å; W289-E291 VanDerWaalsContact C-N 3.27Å; W289-E291 PolarHBondContact O-N 2.96Å; E291-G293 VanDerWaalsContact C-N 3.34Å; E291-G293 PolarHBondContact O-N 2.89Å
292S77.8Confident84.8Confident40 Ų4059.1 Ų59.128%0.2831%0.307SS..Hα-helixtrans-75.2-23.8-175.968.80000113.1E288 H294E288-S292 PolarHBondContact O-N 3.17Å; S292-H294 PolarHBondContact O-CD2 3.14Å; S292-H294 PolarHBondContact O-N 3.49Å; S292-H294 VanDerWaalsContact O-N 3.09Å; S292-H294 PolarHBondContact OG-N 3.07Å
293G76.6Confident85Confident27 Ų2758.5 Ų58.528%0.27830%0.304SS..  trans67.30-173.600000114.3W289 E291W289-G293 WeakPolarHBondContact O-CA 3.19Å; W289-G293 PolarHBondContact O-N 3.49Å; E291-G293 VanDerWaalsContact C-N 3.34Å; E291-G293 PolarHBondContact O-N 2.89Å
294H73.4Confident85.3Confident60 Ų6056.9 Ų56.928%0.27830%0.296SS..SBendtrans-84.8129.9176.6-68.4-61.2000110Y272 I279 W289 S292Y272-H294 AromaticContact CZ-NE2 3.92Å; Y272-H294 PolarHBondContact OH-CE1 2.99Å; Y272-H294 PolarHBondContact OH-NE2 3.42Å; I279-H294 HydrophobicContact CD1-CB 4.37Å; W289-H294 WeakPolarHBondContact CB-O 3.13Å; S292-H294 PolarHBondContact O-CD2 3.14Å; S292-H294 PolarHBondContact O-N 3.49Å; S292-H294 VanDerWaalsContact O-N 3.09Å; S292-H294 PolarHBondContact OG-N 3.07Å
295F82.7Confident85.3Confident13 Ų1353.7 Ų53.76%0.05727%0.267CS..SBendtrans50.863.7-179.1-56.9-73.7000114.6Y97 L268 W275 I279 R297 N323 E327 Y330Y97-F295 WeakPolarHBondContact OH-CD1 3.34Å; L268-F295 HydrophobicContact CD2-CE1 4.03Å; L268-F295 HydrophobicContact CD2-CE2 4.26Å; L268-F295 HydrophobicContact CD2-CZ 3.38Å; L268-F295 HydrophobicContact CG-CZ 4.33Å; W275-F295 HydrophobicContact CZ3-CE2 4.45Å; I279-F295 HydrophobicContact CD1-CD2 4.14Å; I279-F295 HydrophobicContact CD1-CE2 3.71Å; F295-R297 PolarHBondContact O-N 3.17Å; F295-N323 WeakPolarHBondContact CA-ND2 3.35Å; F295-N323 WeakPolarHBondContact CD1-OD1 3.38Å; F295-N323 PolarHBondContact O-ND2 2.97Å; F295-E327 HydrophobicContact CB-CB 4.17Å; F295-E327 HydrophobicContact CB-CG 4.28Å; F295-E327 HydrophobicContact CD1-CB 4.49Å; F295-E327 HydrophobicContact CD2-CB 4.16Å; F295-E327 HydrophobicContact CD2-CG 3.89Å; F295-E327 HydrophobicContact CE2-CG 4.43Å; F295-E327 HydrophobicContact CG-CB 4.04Å; F295-E327 HydrophobicContact CG-CG 4.2Å; F295-Y330 AromaticContact CE1-CD2 3.99Å; F295-Y330 HydrophobicContact CE1-CD2 3.99Å; F295-Y330 HydrophobicContact CZ-CD2 4.22Å
296P88.4Confident85.2Confident3 Ų355.4 Ų55.42%0.01927%0.272CS..  trans-66.7131.5-179.728.7-34.7000112.4F76 I95 W289 T299 N323F76-P296 HydrophobicContact CB-CB 4.09Å; F76-P296 HydrophobicContact CB-CG 3.77Å; F76-P296 HydrophobicContact CD1-CB 4.34Å; F76-P296 HydrophobicContact CD1-CG 4.44Å; F76-P296 HydrophobicContact CD2-CB 3.22Å; F76-P296 HydrophobicContact CD2-CG 3.91Å; F76-P296 HydrophobicContact CE2-CB 3.68Å; F76-P296 HydrophobicContact CG-CB 3.61Å; F76-P296 HydrophobicContact CG-CG 3.77Å; F76-P296 HydrophobicContact CZ-CB 4.38Å; I95-P296 HydrophobicContact CD1-CG 3.53Å; W289-P296 HydrophobicContact CE3-CB 3.9Å; W289-P296 HydrophobicContact CZ3-CB 4.22Å; P296-T299 HydrophobicContact CG-CG2 4.34Å; P296-N323 VanDerWaalsContact N-ND2 3.18Å; P296-N323 PolarHBondContact O-ND2 3.48Å
297R89.9Confident85.3Confident83 Ų8356 Ų5631%0.31326%0.264SS..SBendtrans-91.1-14.1179.4-59.8-178.8-172.5165.85.1112.9W289 F295 V319 L320 E327W289-R297 HydrophobicContact CD2-CB 4.42Å; W289-R297 HydrophobicContact CD2-CG 4.49Å; W289-R297 HydrophobicContact CG-CG 4.45Å; W289-R297 HydrophobicContact CZ2-CB 4.12Å; F295-R297 PolarHBondContact O-N 3.17Å; R297-V319 CarbonylContact O-C 3.56Å; R297-V319 WeakPolarHBondContact O-CA 3.42Å; R297-L320 PolarHBondContact O-N 3.2Å; R297-E327 IonicContact CZ-OE2 2.84Å; R297-E327 IonicContact NE-OE2 3.16Å; R297-E327 IonicContact NH2-OE2 2.64Å; R297-E327 PolarHBondContact NH2-OE2 3.43Å
298V91.6Very high85.5Confident26 Ų2657.8 Ų57.816%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-123.4130.1174.1-177.30000107.9W289 Q317 C318W289-V298 HydrophobicContact CH2-CB 3.62Å; W289-V298 HydrophobicContact CH2-CG2 3.61Å; W289-V298 HydrophobicContact CZ2-CB 4.48Å; W289-V298 HydrophobicContact CZ2-CG2 4.01Å; W289-V298 HydrophobicContact CZ3-CB 4.2Å; V298-Q317 HydrophobicContact CG1-CG 3.43Å; V298-Q317 VanDerWaalsContact CG1-CG 3.43Å; V298-C318 WeakPolarHBondContact CA-O 3.4Å
299T92Very high85.7Confident1 Ų156 Ų561%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-135158.6-177.454.80000109.5T74 Y75 P296 C318T74-T299 WeakPolarHBondContact CB-OG1 3.36Å; T74-T299 PolarHBondContact OG1-OG1 2.96Å; Y75-T299 WeakPolarHBondContact O-CA 3.33Å; P296-T299 HydrophobicContact CG-CG2 4.34Å; T299-C318 PolarHBondContact N-O 3.22Å; T299-C318 PolarHBondContact O-N 2.94Å; T299-C318 PolarHBondContact OG1-O 3.38Å
300M92.5Very high86.2Confident31 Ų3159.5 Ų59.515%0.15332%0.317CS..EExtended strand (participates in β ladder)trans-102.7144.4174.2-62.2-61.7-178.700109.3T74 Y75 Q317T74-M300 WeakPolarHBondContact CA-O 3.21Å; Y75-M300 HydrophobicContact CD1-CB 4.28Å; Y75-M300 WeakPolarHBondContact CD1-O 3.03Å; Y75-M300 HydrophobicContact CD2-CB 4.06Å; Y75-M300 HydrophobicContact CE1-CB 3.73Å; Y75-M300 HydrophobicContact CE2-CB 3.5Å; Y75-M300 VanDerWaalsContact CE2-CB 3.5Å; Y75-M300 HydrophobicContact CE2-CG 4.07Å; Y75-M300 HydrophobicContact CG-CB 4.42Å; Y75-M300 PolarHBondContact N-O 3.01Å; Y75-M300 PolarHBondContact O-N 3.4Å; Y75-M300 WeakPolarHBondContact OH-CB 3.35Å; M300-Q317 HydrophobicContact CE-CB 4.42Å; M300-Q317 HydrophobicContact CE-CG 4.34Å; M300-Q317 HydrophobicContact SD-CB 3.94Å; M300-Q317 HydrophobicContact SD-CG 4.22Å
301C93.3Very high86.6Confident1 Ų160.2 Ų60.21%0.00732%0.323CS..EExtended strand (participates in β ladder)trans-129.8133.3177.4171.90000109.7C69 T74 T315 V316C69-C301 WeakPolarHBondContact CA-SG 3.3Å; C69-C301 HydrophobicContact CB-CB 3.68Å; C69-C301 WeakPolarHBondContact CB-SG 3.35Å; C69-C301 WeakPolarHBondContact SG-CB 3.31Å; C69-C301 CovalentContact SG-SG 2.03Å; C69-C301 PolarHBondContact SG-SG 3.12Å; T74-C301 HydrophobicContact CG2-CB 4.27Å; C301-T315 WeakPolarHBondContact O-CA 3.46Å; C301-V316 HydrophobicContact CB-CG2 4.14Å; C301-V316 PolarHBondContact N-O 2.9Å; C301-V316 PolarHBondContact O-N 3.18Å
302D91.9Very high87.1Confident27 Ų2757.9 Ų57.914%0.14431%0.312CS..EExtended strand (participates in β ladder)trans-104.5128.3173.8-68.1-11.2000109.1Y75 R90 R313 W314 T315Y75-D302 PolarHBondContact OH-OD1 2.97Å; R90-D302 VanDerWaalsContact CD-OD2 3.24Å; R90-D302 WeakPolarHBondContact CD-OD2 3.13Å; R90-D302 IonicContact CZ-OD2 3.7Å; R90-D302 IonicContact NE-OD2 3.89Å; R90-D302 IonicContact NH1-OD1 3.29Å; R90-D302 PolarHBondContact NH1-OD1 3.36Å; R90-D302 IonicContact NH1-OD2 2.74Å; R90-D302 PolarHBondContact NH1-OD2 3.24Å; D302-R313 IonicContact OD2-CZ 3.05Å; D302-R313 IonicContact OD2-NE 3.92Å; D302-R313 PolarHBondContact OD2-NE 3.26Å; D302-R313 IonicContact OD2-NH2 3.06Å; D302-R313 PolarHBondContact OD2-NH2 2.89Å; D302-W314 WeakPolarHBondContact CA-O 3.45Å; D302-T315 WeakPolarHBondContact OD1-CB 3.38Å; D302-T315 WeakPolarHBondContact OD1-CG2 3.37Å
303F89.5Confident87.6Confident1 Ų159.9 Ų59.90%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-136.5148.4174.970.4-84.5000111.4F57 T65 Y68 V305 R313 W314 V316F57-F303 HydrophobicContact CE2-CE2 4Å; F57-F303 AromaticContact CE2-CZ 3.76Å; F57-F303 HydrophobicContact CE2-CZ 3.76Å; F57-F303 HydrophobicContact CZ-CE2 4.28Å; F57-F303 HydrophobicContact CZ-CZ 4.19Å; T65-F303 HydrophobicContact CG2-CD1 3.91Å; T65-F303 HydrophobicContact CG2-CE1 3.62Å; T65-F303 HydrophobicContact CG2-CZ 4.03Å; Y68-F303 HydrophobicContact CD1-CB 3.46Å; Y68-F303 VanDerWaalsContact CD1-CB 3.46Å; Y68-F303 HydrophobicContact CE1-CB 3.36Å; Y68-F303 HydrophobicContact CG-CB 4.31Å; F303-V305 HydrophobicContact CD2-CG2 3.72Å; F303-V305 HydrophobicContact CE2-CG2 3.44Å; F303-V305 VanDerWaalsContact CE2-CG2 3.44Å; F303-R313 WeakPolarHBondContact O-CA 3.12Å; F303-W314 HydrophobicContact CD1-CB 4.16Å; F303-W314 HydrophobicContact CE1-CB 3.6Å; F303-W314 HydrophobicContact CE2-CB 4.01Å; F303-W314 HydrophobicContact CE2-CG 4.29Å; F303-W314 HydrophobicContact CZ-CB 3.51Å; F303-W314 HydrophobicContact CZ-CG 4.03Å; F303-W314 PolarHBondContact N-O 3.36Å; F303-W314 PolarHBondContact O-N 3.47Å; F303-V316 HydrophobicContact CD1-CG2 4.03Å; F303-V316 HydrophobicContact CE1-CB 4.35Å; F303-V316 HydrophobicContact CE1-CG1 3.68Å; F303-V316 HydrophobicContact CE1-CG2 3.78Å; F303-V316 HydrophobicContact CZ-CG1 4.42Å
304D88.7Confident88.2Confident54 Ų5463.3 Ų63.329%0.28932%0.318SS..EExtended strand (participates in β ladder)trans-107.1126.6-176.1-63.7-35.5000111.3L311 R313D304-L311 HydrophobicContact CB-CD1 3.6Å; D304-L311 HydrophobicContact CB-CD2 4.13Å; D304-L311 HydrophobicContact CB-CG 3.83Å; D304-R313 WeakPolarHBondContact OD1-CA 3.46Å; D304-R313 WeakPolarHBondContact OD1-CB 3.33Å; D304-R313 WeakPolarHBondContact OD1-CD 3.24Å; D304-R313 WeakPolarHBondContact OD1-CG 3.17Å
305V87.3Confident89.1Confident19 Ų1963.4 Ų63.412%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-109.3127.6174.6-174.70000109.2W61 F303 V307 H312W61-V305 HydrophobicContact CH2-CG1 4.13Å; W61-V305 HydrophobicContact CZ3-CG1 4.27Å; F303-V305 HydrophobicContact CD2-CG2 3.72Å; F303-V305 HydrophobicContact CE2-CG2 3.44Å; F303-V305 VanDerWaalsContact CE2-CG2 3.44Å; V305-V307 HydrophobicContact CG1-CG2 4.04Å; V305-H312 PolarHBondContact N-O 2.94Å; V305-H312 PolarHBondContact O-N 3.01Å
306R88Confident89.6Confident213 Ų21363.1 Ų63.180%0.80432%0.322SS*.EExtended strand (participates in β ladder)trans-91.1120.8176.1-68.3-178.2-178.8-172.5-0.1110.4N310 L311R306-N310 WeakPolarHBondContact CA-O 3.43Å; R306-L311 HydrophobicContact CG-CD1 3.52Å
307V86.4Confident89.8Confident72 Ų7266.6 Ų66.644%0.43634%0.338SS..EExtended strand (participates in β ladder)trans-131.2122.4175.3-175.50000108.8V305 G309 N310V305-V307 HydrophobicContact CG1-CG2 4.04Å; V307-G309 PolarHBondContact O-N 3.21Å; V307-G309 VanDerWaalsContact O-N 3.09Å; V307-N310 PolarHBondContact N-O 3.21Å; V307-N310 PolarHBondContact O-N 3.34Å
308L85.6Confident90Very high177 Ų17762.6 Ų62.693%0.92732%0.323SS*.THydrogen-bonded Turntrans52.332.5176.9-59.5171.3000114.8N310L308-N310 VanDerWaalsContact C-N 3.31Å; L308-N310 PolarHBondContact O-N 2.83Å
309G87.3Confident90.1Very high78 Ų7863.6 Ų63.680%0.80433%0.329SS*.THydrogen-bonded Turntrans87.3-11.3-178.500000115V307V307-G309 PolarHBondContact O-N 3.21Å; V307-G309 VanDerWaalsContact O-N 3.09Å
310N90.5Very high90Very high104 Ų10463.8 Ų63.856%0.55633%0.33SS*.EExtended strand (participates in β ladder)trans-90140.6173.4-66.4-32000110.9R306 V307 L308R306-N310 WeakPolarHBondContact CA-O 3.43Å; V307-N310 PolarHBondContact N-O 3.21Å; V307-N310 PolarHBondContact O-N 3.34Å; L308-N310 VanDerWaalsContact C-N 3.31Å; L308-N310 PolarHBondContact O-N 2.83Å
311L88.7Confident89.8Confident96 Ų9666.9 Ų66.950%0.50335%0.345SS..EExtended strand (participates in β ladder)trans-93.8116.5174.3-165.275.5000108.7D304 R306D304-L311 HydrophobicContact CB-CD1 3.6Å; D304-L311 HydrophobicContact CB-CD2 4.13Å; D304-L311 HydrophobicContact CB-CG 3.83Å; R306-L311 HydrophobicContact CG-CD1 3.52Å
312H87.2Confident89.5Confident89 Ų8967.1 Ų67.141%0.41235%0.346SS..EExtended strand (participates in β ladder)trans-106.9113.5175-67.7-77.5000109.6V305V305-H312 PolarHBondContact N-O 2.94Å; V305-H312 PolarHBondContact O-N 3.01Å
313R87.8Confident89.3Confident83 Ų8365.8 Ų65.831%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-86.2127.3176.7-173.1159164.6159.2-3.3110.4D302 F303 D304D302-R313 IonicContact OD2-CZ 3.05Å; D302-R313 IonicContact OD2-NE 3.92Å; D302-R313 PolarHBondContact OD2-NE 3.26Å; D302-R313 IonicContact OD2-NH2 3.06Å; D302-R313 PolarHBondContact OD2-NH2 2.89Å; F303-R313 WeakPolarHBondContact O-CA 3.12Å; D304-R313 WeakPolarHBondContact OD1-CA 3.46Å; D304-R313 WeakPolarHBondContact OD1-CB 3.33Å; D304-R313 WeakPolarHBondContact OD1-CD 3.24Å; D304-R313 WeakPolarHBondContact OD1-CG 3.17Å
314W90.1Very high89.2Confident99 Ų9970.6 Ų70.638%0.37536%0.363SS..EExtended strand (participates in β ladder)trans-113.8141.8177-66.786.3000109.6P54 D302 F303P54-W314 HydrophobicContact CG-CE3 4.23Å; P54-W314 HydrophobicContact CG-CZ3 4.19Å; D302-W314 WeakPolarHBondContact CA-O 3.45Å; F303-W314 HydrophobicContact CD1-CB 4.16Å; F303-W314 HydrophobicContact CE1-CB 3.6Å; F303-W314 HydrophobicContact CE2-CB 4.01Å; F303-W314 HydrophobicContact CE2-CG 4.29Å; F303-W314 HydrophobicContact CZ-CB 3.51Å; F303-W314 HydrophobicContact CZ-CG 4.03Å; F303-W314 PolarHBondContact N-O 3.36Å; F303-W314 PolarHBondContact O-N 3.47Å
315T91.8Very high89.2Confident62 Ų6271.7 Ų71.738%0.3837%0.365SS..EExtended strand (participates in β ladder)trans-112118.1174.9660000108.8R90 C301 D302R90-T315 VanDerWaalsContact NH1-CG2 3.33Å; C301-T315 WeakPolarHBondContact O-CA 3.46Å; D302-T315 WeakPolarHBondContact OD1-CB 3.38Å; D302-T315 WeakPolarHBondContact OD1-CG2 3.37Å
316V92.7Very high89.3Confident7 Ų770.8 Ų70.84%0.04236%0.36CS..EExtended strand (participates in β ladder)trans-119.6148.9179.7-70.10000111.5C51 W52 T65 C301 F303C51-V316 HydrophobicContact CB-CG2 4.45Å; W52-V316 WeakPolarHBondContact O-CG1 3.38Å; T65-V316 HydrophobicContact CG2-CG2 3.92Å; C301-V316 HydrophobicContact CB-CG2 4.14Å; C301-V316 PolarHBondContact N-O 2.9Å; C301-V316 PolarHBondContact O-N 3.18Å; F303-V316 HydrophobicContact CD1-CG2 4.03Å; F303-V316 HydrophobicContact CE1-CB 4.35Å; F303-V316 HydrophobicContact CE1-CG1 3.68Å; F303-V316 HydrophobicContact CE1-CG2 3.78Å; F303-V316 HydrophobicContact CZ-CG1 4.42Å
317Q93.7Very high89.2Confident75 Ų7561.3 Ų61.335%0.3532%0.324SS..EExtended strand (participates in β ladder)trans-89.1126.9174.8-176.2177.2-48.200109.6W52 V298 M300W52-Q317 PolarHBondContact N-O 3.43Å; V298-Q317 HydrophobicContact CG1-CG 3.43Å; V298-Q317 VanDerWaalsContact CG1-CG 3.43Å; M300-Q317 HydrophobicContact CE-CB 4.42Å; M300-Q317 HydrophobicContact CE-CG 4.34Å; M300-Q317 HydrophobicContact SD-CB 3.94Å; M300-Q317 HydrophobicContact SD-CG 4.22Å
318C94.2Very high89.4Confident0 Ų062.4 Ų62.40%032%0.323CS..EExtended strand (participates in β ladder)trans-121.2135.8-179.6-57.80000111.7I49 Q50 C51 V298 T299I49-C318 HydrophobicContact CD1-CB 3.56Å; I49-C318 HydrophobicContact CG1-CB 3.67Å; Q50-C318 CarbonylContact O-C 3.52Å; Q50-C318 VanDerWaalsContact O-CA 3.31Å; Q50-C318 WeakPolarHBondContact O-CA 3.3Å; C51-C318 HydrophobicContact CB-CB 4.13Å; C51-C318 WeakPolarHBondContact CB-SG 3.4Å; C51-C318 WeakPolarHBondContact SG-CB 3.43Å; C51-C318 CovalentContact SG-SG 2.05Å; C51-C318 PolarHBondContact SG-SG 3.21Å; V298-C318 WeakPolarHBondContact CA-O 3.4Å; T299-C318 PolarHBondContact N-O 3.22Å; T299-C318 PolarHBondContact O-N 2.94Å; T299-C318 PolarHBondContact OG1-O 3.38Å
319V92.5Very high89.7Confident47 Ų4754.7 Ų54.729%0.28528%0.283SS..EExtended strand (participates in β ladder)trans-91.4120173.9-178.40000108.7I49 Q50 R297 M321I49-V319 WeakPolarHBondContact CA-O 3.45Å; Q50-V319 PolarHBondContact N-O 3.16Å; Q50-V319 VanDerWaalsContact N-O 3.1Å; Q50-V319 PolarHBondContact O-N 2.96Å; R297-V319 CarbonylContact O-C 3.56Å; R297-V319 WeakPolarHBondContact O-CA 3.42Å; V319-M321 HydrophobicContact CG1-CG 4.43Å; V319-M321 PolarHBondContact O-N 3.42Å
320L89.8Confident89.8Confident4 Ų451 Ų512%0.02125%0.245CC..  trans-100.781.5-174.9-165.167.3000110.6I49 Y98 R297 I322 N323I49-L320 HydrophobicContact CB-CD1 4.11Å; I49-L320 HydrophobicContact CD1-CD1 4.12Å; I49-L320 HydrophobicContact CG1-CD1 4.08Å; Y98-L320 HydrophobicContact CD1-CD2 4.28Å; Y98-L320 HydrophobicContact CD2-CD2 3.64Å; Y98-L320 HydrophobicContact CE1-CD2 3.93Å; Y98-L320 HydrophobicContact CE2-CD2 3.23Å; Y98-L320 HydrophobicContact CG-CD2 4.14Å; R297-L320 PolarHBondContact O-N 3.2Å; L320-I322 HydrophobicContact CD1-CG2 3.77Å; L320-I322 HydrophobicContact CD2-CG2 4.35Å; L320-I322 HydrophobicContact CG-CG2 3.72Å; L320-I322 PolarHBondContact O-N 2.94Å; L320-N323 HydrophobicContact CD2-CB 4.25Å; L320-N323 HydrophobicContact CG-CB 4.38Å; L320-N323 WeakPolarHBondContact O-CB 3.25Å; L320-N323 PolarHBondContact O-N 2.72Å; L320-N323 VanDerWaalsContact O-N 3.12Å
321M88.7Confident89.7Confident96 Ų9647 Ų4747%0.47322%0.223SC..Hα-helixtrans-60.3-32.7-176-63.8-177.273.300112.9P48 V319 N323 M324P48-M321 PolarHBondContact O-N 3.33Å; V319-M321 HydrophobicContact CG1-CG 4.43Å; V319-M321 PolarHBondContact O-N 3.42Å; M321-N323 PolarHBondContact O-N 3.19Å; M321-M324 WeakPolarHBondContact O-CB 3.28Å; M321-M324 PolarHBondContact O-N 3.39Å
322I87.5Confident90Very high6 Ų646.7 Ų46.73%0.03122%0.218CC..Hα-helixtrans-59.7-27.6179-168.4165.3000112.5Q43 L320 M324 F325 N326Q43-I322 HydrophobicContact CB-CD1 4.25Å; L320-I322 HydrophobicContact CD1-CG2 3.77Å; L320-I322 HydrophobicContact CD2-CG2 4.35Å; L320-I322 HydrophobicContact CG-CG2 3.72Å; L320-I322 PolarHBondContact O-N 2.94Å; I322-M324 VanDerWaalsContact C-N 3.31Å; I322-M324 PolarHBondContact O-N 3.27Å; I322-F325 PolarHBondContact O-N 2.85Å; I322-F325 VanDerWaalsContact O-N 3.12Å; I322-N326 PolarHBondContact O-N 3.47Å; I322-N326 VanDerWaalsContact O-N 3.1Å
323N88.1Confident90.2Very high0 Ų042.4 Ų42.40%020%0.198CC..Hα-helixtrans-71-28.6-176.2-149.612.9000113.3Y98 F295 P296 L320 M321 F325 N326 E327Y98-N323 HydrophobicContact CE1-CB 4.33Å; Y98-N323 WeakPolarHBondContact CE1-OD1 3.31Å; Y98-N323 PolarHBondContact OH-ND2 2.79Å; F295-N323 WeakPolarHBondContact CA-ND2 3.35Å; F295-N323 WeakPolarHBondContact CD1-OD1 3.38Å; F295-N323 PolarHBondContact O-ND2 2.97Å; P296-N323 VanDerWaalsContact N-ND2 3.18Å; P296-N323 PolarHBondContact O-ND2 3.48Å; L320-N323 HydrophobicContact CD2-CB 4.25Å; L320-N323 HydrophobicContact CG-CB 4.38Å; L320-N323 WeakPolarHBondContact O-CB 3.25Å; L320-N323 PolarHBondContact O-N 2.72Å; L320-N323 VanDerWaalsContact O-N 3.12Å; M321-N323 PolarHBondContact O-N 3.19Å; N323-F325 PolarHBondContact O-N 3.24Å; N323-N326 PolarHBondContact O-N 2.99Å; N323-E327 WeakPolarHBondContact O-CB 3.5Å; N323-E327 PolarHBondContact O-N 3.39Å
324M87.2Confident90.4Very high101 Ų10138.5 Ų38.550%0.49818%0.183SC..Hα-helixtrans-59.5-36.1172.1-179.3-179.9139.100111.4M321 I322 K328M321-M324 WeakPolarHBondContact O-CB 3.28Å; M321-M324 PolarHBondContact O-N 3.39Å; I322-M324 VanDerWaalsContact C-N 3.31Å; I322-M324 PolarHBondContact O-N 3.27Å; M324-K328 WeakPolarHBondContact O-CG 3.5Å
325F88.6Confident90.6Very high78 Ų7837.9 Ų37.934%0.34218%0.181SC..Hα-helixtrans-76.4-42.9176-66.3-82.8000111.9L39 K42 I322 N323 E327 K328 I329L39-F325 HydrophobicContact CD2-CB 3.97Å; K42-F325 HydrophobicContact CD-CE2 4.4Å; K42-F325 HydrophobicContact CD-CZ 4.4Å; I322-F325 PolarHBondContact O-N 2.85Å; I322-F325 VanDerWaalsContact O-N 3.12Å; N323-F325 PolarHBondContact O-N 3.24Å; F325-E327 PolarHBondContact O-N 2.84Å; F325-K328 PolarHBondContact O-N 3.37Å; F325-I329 WeakPolarHBondContact O-CG1 3.32Å; F325-I329 PolarHBondContact O-N 3.09Å
326N88.7Confident90.7Very high0 Ų037.7 Ų37.70%017%0.173CC..Hα-helixtrans-59.5-44.8178.7-71.9-21000112L39 Y98 I322 N323 K328 I329 Y330L39-N326 WeakPolarHBondContact CD2-OD1 3.11Å; Y98-N326 WeakPolarHBondContact CD1-ND2 3.39Å; I322-N326 PolarHBondContact O-N 3.47Å; I322-N326 VanDerWaalsContact O-N 3.1Å; N323-N326 PolarHBondContact O-N 2.99Å; N326-K328 VanDerWaalsContact C-N 3.31Å; N326-K328 PolarHBondContact O-N 3.29Å; N326-I329 PolarHBondContact O-N 3.06Å; N326-Y330 HydrophobicContact CB-CD2 4.04Å; N326-Y330 HydrophobicContact CB-CE2 4.12Å; N326-Y330 WeakPolarHBondContact O-CB 3.39Å; N326-Y330 WeakPolarHBondContact O-CD2 3.4Å; N326-Y330 PolarHBondContact O-N 3.42Å
327E87.2Confident90.7Very high13 Ų1337.4 Ų37.46%0.06117%0.171CC..Hα-helixtrans-51.3-50.7175.5-172.4-157.2130.600110.8F295 R297 N323 F325 L331F295-E327 HydrophobicContact CB-CB 4.17Å; F295-E327 HydrophobicContact CB-CG 4.28Å; F295-E327 HydrophobicContact CD1-CB 4.49Å; F295-E327 HydrophobicContact CD2-CB 4.16Å; F295-E327 HydrophobicContact CD2-CG 3.89Å; F295-E327 HydrophobicContact CE2-CG 4.43Å; F295-E327 HydrophobicContact CG-CB 4.04Å; F295-E327 HydrophobicContact CG-CG 4.2Å; R297-E327 IonicContact CZ-OE2 2.84Å; R297-E327 IonicContact NE-OE2 3.16Å; R297-E327 IonicContact NH2-OE2 2.64Å; R297-E327 PolarHBondContact NH2-OE2 3.43Å; N323-E327 WeakPolarHBondContact O-CB 3.5Å; N323-E327 PolarHBondContact O-N 3.39Å; F325-E327 PolarHBondContact O-N 2.84Å; E327-L331 HydrophobicContact CG-CD1 4.23Å; E327-L331 WeakPolarHBondContact O-CB 3.48Å; E327-L331 WeakPolarHBondContact O-CD1 3.19Å; E327-L331 WeakPolarHBondContact O-CG 3.31Å; E327-L331 PolarHBondContact O-N 2.84Å
328K89.1Confident90.7Very high96 Ų9635.8 Ų35.842%0.41717%0.165SC..Hα-helixtrans-70.6-41.4-177.7-58.1-48.2-179.7-162.10113.1M324 F325 N326 F332M324-K328 WeakPolarHBondContact O-CG 3.5Å; F325-K328 PolarHBondContact O-N 3.37Å; N326-K328 VanDerWaalsContact C-N 3.31Å; N326-K328 PolarHBondContact O-N 3.29Å; K328-F332 WeakPolarHBondContact O-CB 3.43Å; K328-F332 PolarHBondContact O-N 3.36Å
329I91.7Very high90.7Very high14 Ų1439.1 Ų39.17%0.07219%0.185CC..Hα-helixtrans-65.6-46.7179.4-70.7169.8000110.5F35 L39 F325 N326 F332 L333F35-I329 HydrophobicContact CB-CD1 4.39Å; F35-I329 HydrophobicContact CB-CG2 3.95Å; F35-I329 HydrophobicContact CD1-CD1 4.08Å; F35-I329 HydrophobicContact CD1-CG1 3.84Å; F35-I329 HydrophobicContact CD1-CG2 4.26Å; F35-I329 HydrophobicContact CD2-CG2 4.14Å; F35-I329 HydrophobicContact CE1-CG1 4.21Å; F35-I329 HydrophobicContact CG-CD1 4.49Å; F35-I329 HydrophobicContact CG-CG1 4.31Å; F35-I329 HydrophobicContact CG-CG2 3.88Å; L39-I329 HydrophobicContact CD1-CD1 3.68Å; L39-I329 HydrophobicContact CD2-CD1 3.64Å; L39-I329 HydrophobicContact CG-CD1 3.52Å; F325-I329 WeakPolarHBondContact O-CG1 3.32Å; F325-I329 PolarHBondContact O-N 3.09Å; N326-I329 PolarHBondContact O-N 3.06Å; I329-F332 PolarHBondContact O-N 3.43Å; I329-L333 HydrophobicContact CG2-CD1 3.83Å; I329-L333 HydrophobicContact CG2-CG 4.26Å; I329-L333 WeakPolarHBondContact O-CB 3.2Å; I329-L333 WeakPolarHBondContact O-CG 3.42Å; I329-L333 PolarHBondContact O-N 2.89Å
330Y90Very high90.9Very high2 Ų236.9 Ų36.91%0.00817%0.172CC..Hα-helixtrans-69.8-36.5-178.4-75.7-54.4000112.9V101 L105 L264 F267 L268 F295 N326 L333 W334V101-Y330 HydrophobicContact CG1-CE2 4.23Å; V101-Y330 WeakPolarHBondContact CG1-OH 3.2Å; V101-Y330 HydrophobicContact CG2-CE2 4.31Å; V101-Y330 WeakPolarHBondContact CG2-OH 3.47Å; L105-Y330 HydrophobicContact CD2-CE1 4.35Å; L264-Y330 HydrophobicContact CD1-CD1 3.39Å; L264-Y330 HydrophobicContact CD1-CE1 3.64Å; L264-Y330 HydrophobicContact CD1-CG 4.44Å; F267-Y330 WeakPolarHBondContact CE1-OH 3.29Å; L268-Y330 HydrophobicContact CD1-CD1 3.95Å; L268-Y330 HydrophobicContact CD1-CD2 4.31Å; L268-Y330 HydrophobicContact CD1-CE1 3.98Å; L268-Y330 HydrophobicContact CD1-CE2 4.35Å; L268-Y330 HydrophobicContact CD1-CG 4.1Å; L268-Y330 HydrophobicContact CD2-CD2 4.37Å; L268-Y330 HydrophobicContact CD2-CG 4.19Å; F295-Y330 AromaticContact CE1-CD2 3.99Å; F295-Y330 HydrophobicContact CE1-CD2 3.99Å; F295-Y330 HydrophobicContact CZ-CD2 4.22Å; N326-Y330 HydrophobicContact CB-CD2 4.04Å; N326-Y330 HydrophobicContact CB-CE2 4.12Å; N326-Y330 WeakPolarHBondContact O-CB 3.39Å; N326-Y330 WeakPolarHBondContact O-CD2 3.4Å; N326-Y330 PolarHBondContact O-N 3.42Å; Y330-L333 HydrophobicContact CD1-CD1 4.35Å; Y330-L333 PolarHBondContact O-N 3.44Å; Y330-W334 WeakPolarHBondContact O-CB 3.36Å; Y330-W334 PolarHBondContact O-N 2.96Å
331L89.4Confident91.1Very high18 Ų1838.6 Ų38.69%0.09418%0.184CC..Hα-helixtrans-59.2-48170.2-76.7171.8000111.4W275 I279 E327 L333 W334 W335W275-L331 HydrophobicContact CZ3-CD2 3.98Å; I279-L331 HydrophobicContact CB-CD2 3.81Å; I279-L331 HydrophobicContact CD1-CD2 4.45Å; I279-L331 HydrophobicContact CG2-CD1 3.88Å; I279-L331 HydrophobicContact CG2-CD2 3.64Å; I279-L331 HydrophobicContact CG2-CG 4.23Å; E327-L331 HydrophobicContact CG-CD1 4.23Å; E327-L331 WeakPolarHBondContact O-CB 3.48Å; E327-L331 WeakPolarHBondContact O-CD1 3.19Å; E327-L331 WeakPolarHBondContact O-CG 3.31Å; E327-L331 PolarHBondContact O-N 2.84Å; L331-L333 PolarHBondContact O-N 3.38Å; L331-W334 PolarHBondContact O-N 3Å; L331-W335 VanDerWaalsContact O-CD1 3.23Å; L331-W335 PolarHBondContact O-N 3.44Å
332F93.2Very high91.5Very high90 Ų9038.3 Ų38.340%0.39518%0.183SC..Hα-helixtrans-59.9-48176.8175.2-87.8000112I31 F35 K328 I329 W334 W335 W336I31-F332 HydrophobicContact CG2-CE1 3.75Å; I31-F332 HydrophobicContact CG2-CZ 4.45Å; F35-F332 AromaticContact CE2-CD1 3.39Å; F35-F332 HydrophobicContact CE2-CD1 3.39Å; F35-F332 AromaticContact CE2-CE1 3.56Å; F35-F332 HydrophobicContact CE2-CE1 3.56Å; F35-F332 HydrophobicContact CE2-CG 4.41Å; F35-F332 AromaticContact CZ-CD1 3.56Å; F35-F332 HydrophobicContact CZ-CD1 3.56Å; F35-F332 AromaticContact CZ-CE1 3.81Å; F35-F332 HydrophobicContact CZ-CE1 3.81Å; F35-F332 HydrophobicContact CZ-CG 4.2Å; K328-F332 WeakPolarHBondContact O-CB 3.43Å; K328-F332 PolarHBondContact O-N 3.36Å; I329-F332 PolarHBondContact O-N 3.43Å; F332-W334 VanDerWaalsContact C-N 3.32Å; F332-W334 PolarHBondContact O-N 3.01Å; F332-W335 PolarHBondContact O-N 2.89Å; F332-W336 HydrophobicContact CE1-CB 4.16Å; F332-W336 HydrophobicContact CE1-CG 4.38Å; F332-W336 HydrophobicContact CZ-CD2 4.48Å; F332-W336 HydrophobicContact CZ-CE3 4.04Å; F332-W336 WeakPolarHBondContact O-CB 3.46Å; F332-W336 PolarHBondContact O-N 3.46Å
333L93.1Very high91.9Very high0 Ų041.1 Ų41.10%020%0.197CC..Hα-helixtrans-63-37.4-179.1-74.2177.2000112.5I32 F35 L105 I329 Y330 L331 W336 F337I32-L333 HydrophobicContact CG1-CD2 4Å; F35-L333 HydrophobicContact CD2-CD2 3.99Å; F35-L333 HydrophobicContact CD2-CG 4.31Å; F35-L333 HydrophobicContact CE2-CD2 4.1Å; F35-L333 HydrophobicContact CE2-CG 4.45Å; L105-L333 HydrophobicContact CD2-CD1 3.59Å; I329-L333 HydrophobicContact CG2-CD1 3.83Å; I329-L333 HydrophobicContact CG2-CG 4.26Å; I329-L333 WeakPolarHBondContact O-CB 3.2Å; I329-L333 WeakPolarHBondContact O-CG 3.42Å; I329-L333 PolarHBondContact O-N 2.89Å; Y330-L333 HydrophobicContact CD1-CD1 4.35Å; Y330-L333 PolarHBondContact O-N 3.44Å; L331-L333 PolarHBondContact O-N 3.38Å; L333-W336 PolarHBondContact O-N 3.04Å; L333-F337 HydrophobicContact CD2-CZ 4.46Å; L333-F337 WeakPolarHBondContact O-CB 3.15Å; L333-F337 VanDerWaalsContact O-CG 3.29Å; L333-F337 WeakPolarHBondContact O-CG 3.26Å; L333-F337 PolarHBondContact O-N 3.1Å
334W92.2Very high92.3Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-61.5-48.7177.6-173.997.2000111.2F261 L264 T273 F274 W275 F277 Y330 L331 F332 F337 L338F261-W334 AromaticContact CE2-CD1 3.88Å; F261-W334 HydrophobicContact CE2-CD2 4.45Å; F261-W334 AromaticContact CE2-CE2 3.94Å; F261-W334 HydrophobicContact CE2-CG 4.38Å; F261-W334 HydrophobicContact CE2-CZ2 4.43Å; F261-W334 AromaticContact CE2-NE1 3.61Å; F261-W334 AromaticContact CZ-CE2 3.83Å; F261-W334 HydrophobicContact CZ-CZ2 4.05Å; F261-W334 AromaticContact CZ-NE1 3.45Å; L264-W334 HydrophobicContact CD2-CB 4.15Å; T273-W334 PolarHBondContact O-NE1 3.22Å; F274-W334 HydrophobicContact CD1-CZ2 4.31Å; W275-W334 AromaticContact CE2-CD1 3.56Å; W275-W334 HydrophobicContact CH2-CB 3.96Å; W275-W334 HydrophobicContact CH2-CG 4.27Å; W275-W334 HydrophobicContact CZ2-CB 4.04Å; W275-W334 AromaticContact CZ2-CD1 3.51Å; W275-W334 HydrophobicContact CZ2-CG 4.04Å; W275-W334 AromaticContact NE1-CD1 3.75Å; F277-W334 AromaticContact CD2-CH2 3.37Å; F277-W334 HydrophobicContact CD2-CH2 3.37Å; F277-W334 AromaticContact CD2-CZ2 4Å; F277-W334 HydrophobicContact CD2-CZ2 4Å; F277-W334 HydrophobicContact CD2-CZ3 4.21Å; F277-W334 HydrophobicContact CE1-CH2 4.5Å; F277-W334 AromaticContact CE2-CH2 3.34Å; F277-W334 HydrophobicContact CE2-CH2 3.34Å; F277-W334 HydrophobicContact CE2-CZ2 4.16Å; F277-W334 HydrophobicContact CE2-CZ3 4.21Å; F277-W334 HydrophobicContact CG-CH2 4.02Å; F277-W334 HydrophobicContact CG-CZ3 4.46Å; F277-W334 AromaticContact CZ-CH2 3.91Å; F277-W334 HydrophobicContact CZ-CH2 3.91Å; F277-W334 HydrophobicContact CZ-CZ3 4.4Å; Y330-W334 WeakPolarHBondContact O-CB 3.36Å; Y330-W334 PolarHBondContact O-N 2.96Å; L331-W334 PolarHBondContact O-N 3Å; F332-W334 VanDerWaalsContact C-N 3.32Å; F332-W334 PolarHBondContact O-N 3.01Å; W334-F337 PolarHBondContact O-N 2.99Å; W334-L338 HydrophobicContact CH2-CD2 3.91Å; W334-L338 HydrophobicContact CZ3-CD2 3.92Å; W334-L338 PolarHBondContact O-N 2.88Å; W334-L338 VanDerWaalsContact O-N 3.09Å
335W92.4Very high92.7Very high86 Ų8638.7 Ų38.733%0.32619%0.188SC..Hα-helixtrans-66.2-40.2176.4-77.2105.1000112.4F277 L280 L331 F332 L338 V339F277-W335 AromaticContact CD1-CH2 3.46Å; F277-W335 HydrophobicContact CD1-CH2 3.46Å; F277-W335 VanDerWaalsContact CD1-CH2 3.46Å; F277-W335 AromaticContact CD1-CZ2 3.75Å; F277-W335 HydrophobicContact CD1-CZ2 3.75Å; F277-W335 HydrophobicContact CD1-CZ3 4.41Å; F277-W335 AromaticContact CE1-CH2 3.17Å; F277-W335 HydrophobicContact CE1-CH2 3.17Å; F277-W335 AromaticContact CE1-CZ2 3.94Å; F277-W335 HydrophobicContact CE1-CZ2 3.94Å; F277-W335 AromaticContact CE1-CZ3 3.76Å; F277-W335 HydrophobicContact CE1-CZ3 3.76Å; F277-W335 HydrophobicContact CZ-CH2 4.06Å; F277-W335 HydrophobicContact CZ-CZ3 4.25Å; L280-W335 HydrophobicContact CD2-CH2 4.38Å; L280-W335 HydrophobicContact CD2-CZ2 3.55Å; L331-W335 VanDerWaalsContact O-CD1 3.23Å; L331-W335 PolarHBondContact O-N 3.44Å; F332-W335 PolarHBondContact O-N 2.89Å; W335-L338 HydrophobicContact CE3-CD2 4.09Å; W335-L338 HydrophobicContact CZ3-CD2 4.12Å; W335-L338 PolarHBondContact O-N 3.43Å; W335-V339 WeakPolarHBondContact O-CG2 3.38Å; W335-V339 PolarHBondContact O-N 3.01Å
336W94.8Very high93.1Very high59 Ų5940.4 Ų40.422%0.22320%0.201CC..Hα-helixtrans-59.8-48.9176-177.7-97.6000111.6L23 T28 I31 F332 L333 L338 V339 V340L23-W336 HydrophobicContact CD1-CH2 3.92Å; L23-W336 HydrophobicContact CD1-CZ2 3.7Å; T28-W336 PolarHBondContact OG1-NE1 3.24Å; I31-W336 HydrophobicContact CD1-CD2 4.26Å; I31-W336 HydrophobicContact CD1-CE3 4.42Å; I31-W336 HydrophobicContact CD1-CH2 3.55Å; I31-W336 HydrophobicContact CD1-CZ2 3.34Å; I31-W336 HydrophobicContact CD1-CZ3 4.09Å; F332-W336 HydrophobicContact CE1-CB 4.16Å; F332-W336 HydrophobicContact CE1-CG 4.38Å; F332-W336 HydrophobicContact CZ-CD2 4.48Å; F332-W336 HydrophobicContact CZ-CE3 4.04Å; F332-W336 WeakPolarHBondContact O-CB 3.46Å; F332-W336 PolarHBondContact O-N 3.46Å; L333-W336 PolarHBondContact O-N 3.04Å; W336-L338 VanDerWaalsContact C-N 3.31Å; W336-L338 PolarHBondContact O-N 2.89Å; W336-V339 PolarHBondContact O-N 3.04Å; W336-V340 HydrophobicContact CD2-CG2 4.3Å; W336-V340 HydrophobicContact CG-CG2 4.38Å; W336-V340 HydrophobicContact CZ2-CG2 4.2Å; W336-V340 WeakPolarHBondContact O-CB 3.33Å; W336-V340 VanDerWaalsContact O-CG2 3.28Å; W336-V340 WeakPolarHBondContact O-CG2 3.45Å; W336-V340 PolarHBondContact O-N 3.27Å
337F93.4Very high93.4Very high0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-63.8-35.4177.9-69-15.9000112.8T28 I32 F112 Q260 F261 L264 L333 W334 S341T28-F337 HydrophobicContact CG2-CE1 4.01Å; I32-F337 HydrophobicContact CD1-CE1 3.93Å; I32-F337 HydrophobicContact CD1-CZ 3.89Å; F112-F337 HydrophobicContact CE2-CD1 4.27Å; F112-F337 AromaticContact CE2-CE1 3.48Å; F112-F337 HydrophobicContact CE2-CE1 3.48Å; F112-F337 VanDerWaalsContact CE2-CE1 3.48Å; F112-F337 AromaticContact CE2-CZ 3.69Å; F112-F337 HydrophobicContact CE2-CZ 3.69Å; F112-F337 AromaticContact CZ-CD1 3.87Å; F112-F337 HydrophobicContact CZ-CD1 3.87Å; F112-F337 AromaticContact CZ-CE1 3.54Å; F112-F337 HydrophobicContact CZ-CE1 3.54Å; F112-F337 HydrophobicContact CZ-CZ 4.11Å; Q260-F337 HydrophobicContact CB-CE2 4.39Å; F261-F337 HydrophobicContact CD2-CB 4.05Å; L264-F337 HydrophobicContact CD2-CD2 4.07Å; L264-F337 HydrophobicContact CD2-CE2 4.31Å; L333-F337 HydrophobicContact CD2-CZ 4.46Å; L333-F337 WeakPolarHBondContact O-CB 3.15Å; L333-F337 VanDerWaalsContact O-CG 3.29Å; L333-F337 WeakPolarHBondContact O-CG 3.26Å; L333-F337 PolarHBondContact O-N 3.1Å; W334-F337 PolarHBondContact O-N 2.99Å; F337-S341 WeakPolarHBondContact O-CB 3.43Å; F337-S341 PolarHBondContact O-N 3.36Å
338L93Very high93.8Very high42 Ų4242.2 Ų42.222%0.2221%0.209CC..Hα-helixtrans-61.1-48.9173.2-176.566.6000111.4F277 W334 W335 W336 S341 I342F277-L338 HydrophobicContact CZ-CD2 4.1Å; W334-L338 HydrophobicContact CH2-CD2 3.91Å; W334-L338 HydrophobicContact CZ3-CD2 3.92Å; W334-L338 PolarHBondContact O-N 2.88Å; W334-L338 VanDerWaalsContact O-N 3.09Å; W335-L338 HydrophobicContact CE3-CD2 4.09Å; W335-L338 HydrophobicContact CZ3-CD2 4.12Å; W335-L338 PolarHBondContact O-N 3.43Å; W336-L338 VanDerWaalsContact C-N 3.31Å; W336-L338 PolarHBondContact O-N 2.89Å; L338-S341 WeakPolarHBondContact O-CB 3.33Å; L338-S341 PolarHBondContact O-N 3.33Å; L338-I342 HydrophobicContact CD1-CD1 4.46Å; L338-I342 HydrophobicContact CG-CD1 4.27Å; L338-I342 WeakPolarHBondContact O-CG1 3.35Å; L338-I342 PolarHBondContact O-N 3.44Å
339V94.9Very high94.2Very high70 Ų7043.4 Ų43.442%0.42422%0.215SC..Hα-helixtrans-63.1-47.5178.7171.40000111.3W335 W336 S341 I342 I343W335-V339 WeakPolarHBondContact O-CG2 3.38Å; W335-V339 PolarHBondContact O-N 3.01Å; W336-V339 PolarHBondContact O-N 3.04Å; V339-S341 VanDerWaalsContact C-N 3.31Å; V339-S341 PolarHBondContact O-N 3.27Å; V339-I342 PolarHBondContact O-N 3.41Å; V339-I343 HydrophobicContact CG1-CD1 3.68Å; V339-I343 HydrophobicContact CG1-CG1 4.42Å; V339-I343 WeakPolarHBondContact O-CG1 3.42Å; V339-I343 PolarHBondContact O-N 3.27Å
340V95.9Very high94.3Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-61.2-40.6177.8175.50000110.9L23 N24 V257 W336 I343 T344L23-V340 HydrophobicContact CD1-CG2 4.46Å; L23-V340 HydrophobicContact CD2-CG1 4.49Å; L23-V340 HydrophobicContact CD2-CG2 4.05Å; L23-V340 HydrophobicContact CG-CG2 4.08Å; N24-V340 WeakPolarHBondContact OD1-CG1 3.32Å; V257-V340 HydrophobicContact CG2-CG1 4.12Å; W336-V340 HydrophobicContact CD2-CG2 4.3Å; W336-V340 HydrophobicContact CG-CG2 4.38Å; W336-V340 HydrophobicContact CZ2-CG2 4.2Å; W336-V340 WeakPolarHBondContact O-CB 3.33Å; W336-V340 VanDerWaalsContact O-CG2 3.28Å; W336-V340 WeakPolarHBondContact O-CG2 3.45Å; W336-V340 PolarHBondContact O-N 3.27Å; V340-I343 PolarHBondContact O-N 3.34Å; V340-T344 HydrophobicContact CG1-CG2 4.04Å; V340-T344 WeakPolarHBondContact O-CB 3.42Å; V340-T344 WeakPolarHBondContact O-CG2 3.25Å; V340-T344 PolarHBondContact O-N 3.29Å; V340-T344 PolarHBondContact O-OG1 3.36Å
341S94Very high94.5Very high39 Ų3949 Ų4927%0.27324%0.236SC..Hα-helixtrans-59.3-47.6175.9-175.20000111.9F337 L338 V339 T344 V345F337-S341 WeakPolarHBondContact O-CB 3.43Å; F337-S341 PolarHBondContact O-N 3.36Å; L338-S341 WeakPolarHBondContact O-CB 3.33Å; L338-S341 PolarHBondContact O-N 3.33Å; V339-S341 VanDerWaalsContact C-N 3.31Å; V339-S341 PolarHBondContact O-N 3.27Å; S341-T344 WeakPolarHBondContact CA-OG1 3.35Å; S341-T344 PolarHBondContact O-N 3.5Å; S341-T344 PolarHBondContact O-OG1 2.86Å; S341-V345 WeakPolarHBondContact O-CB 3.37Å; S341-V345 WeakPolarHBondContact O-CG2 3.44Å; S341-V345 PolarHBondContact O-N 3.1Å
342I96.1Very high94.6Very high91 Ų9150.2 Ų50.247%0.46724%0.242SC..Hα-helixtrans-63.2-49.1178.9-65.3165.4000110.8L338 V339 T344 V345 L346L338-I342 HydrophobicContact CD1-CD1 4.46Å; L338-I342 HydrophobicContact CG-CD1 4.27Å; L338-I342 WeakPolarHBondContact O-CG1 3.35Å; L338-I342 PolarHBondContact O-N 3.44Å; V339-I342 PolarHBondContact O-N 3.41Å; I342-T344 PolarHBondContact O-N 2.94Å; I342-V345 PolarHBondContact O-N 2.94Å; I342-L346 HydrophobicContact CG2-CD1 3.95Å; I342-L346 HydrophobicContact CG2-CG 4.45Å; I342-L346 VanDerWaalsContact O-CG 3.31Å; I342-L346 WeakPolarHBondContact O-CG 3.37Å; I342-L346 PolarHBondContact O-N 3.37Å
343I97Very high94.6Very high64 Ų6448.7 Ų48.733%0.32825%0.246SC..Hα-helixtrans-63-42.3-177.9-65.1172.1000111.1V20 L23 V339 V340 N347V20-I343 HydrophobicContact CB-CG2 4.38Å; V20-I343 HydrophobicContact CG1-CG2 3.82Å; V20-I343 HydrophobicContact CG2-CG2 3.74Å; L23-I343 HydrophobicContact CD2-CB 4.36Å; L23-I343 HydrophobicContact CD2-CD1 4.06Å; L23-I343 HydrophobicContact CD2-CG2 4.13Å; V339-I343 HydrophobicContact CG1-CD1 3.68Å; V339-I343 HydrophobicContact CG1-CG1 4.42Å; V339-I343 WeakPolarHBondContact O-CG1 3.42Å; V339-I343 PolarHBondContact O-N 3.27Å; V340-I343 PolarHBondContact O-N 3.34Å; I343-N347 VanDerWaalsContact O-CB 3.31Å; I343-N347 WeakPolarHBondContact O-CB 3.2Å; I343-N347 PolarHBondContact O-N 3Å
344T95.8Very high94.6Very high7 Ų749.2 Ų49.24%0.04325%0.249CC..Hα-helixtrans-64.3-43.5178.651.50000113V20 N24 V257 V340 S341 I342 N347 F348V20-T344 HydrophobicContact CG1-CG2 4.29Å; N24-T344 VanDerWaalsContact CG-CG2 3.45Å; N24-T344 WeakPolarHBondContact ND2-CG2 3.27Å; N24-T344 WeakPolarHBondContact OD1-CG2 3.28Å; V257-T344 HydrophobicContact CG2-CG2 4.44Å; V340-T344 HydrophobicContact CG1-CG2 4.04Å; V340-T344 WeakPolarHBondContact O-CB 3.42Å; V340-T344 WeakPolarHBondContact O-CG2 3.25Å; V340-T344 PolarHBondContact O-N 3.29Å; V340-T344 PolarHBondContact O-OG1 3.36Å; S341-T344 WeakPolarHBondContact CA-OG1 3.35Å; S341-T344 PolarHBondContact O-N 3.5Å; S341-T344 PolarHBondContact O-OG1 2.86Å; I342-T344 PolarHBondContact O-N 2.94Å; T344-N347 PolarHBondContact O-N 3.44Å; T344-F348 WeakPolarHBondContact O-CB 3.37Å; T344-F348 PolarHBondContact O-N 2.95Å
345V96.5Very high94.4Very high43 Ų4350.4 Ų50.426%0.26126%0.256SS..Hα-helixtrans-64.3-46.4178.5171.40000110.7I254 S341 I342 N347 F348 F349I254-V345 HydrophobicContact CD1-CG2 4.12Å; I254-V345 HydrophobicContact CG1-CG2 4.14Å; I254-V345 HydrophobicContact CG2-CG2 4.16Å; S341-V345 WeakPolarHBondContact O-CB 3.37Å; S341-V345 WeakPolarHBondContact O-CG2 3.44Å; S341-V345 PolarHBondContact O-N 3.1Å; I342-V345 PolarHBondContact O-N 2.94Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 3.27Å; V345-F348 PolarHBondContact O-N 3.49Å; V345-F349 HydrophobicContact CG1-CD2 3.73Å; V345-F349 HydrophobicContact CG1-CE2 3.49Å; V345-F349 VanDerWaalsContact CG1-CE2 3.49Å; V345-F349 WeakPolarHBondContact O-CD2 3.41Å; V345-F349 PolarHBondContact O-N 3.3Å; V345-F349 VanDerWaalsContact O-N 3.09Å
346L96.8Very high94.2Very high115 Ų11552.5 Ų52.560%0.60227%0.272SS*.Hα-helixtrans-60.4-42.7176.3-69175.6000111.8I342 F349 Y350I342-L346 HydrophobicContact CG2-CD1 3.95Å; I342-L346 HydrophobicContact CG2-CG 4.45Å; I342-L346 VanDerWaalsContact O-CG 3.31Å; I342-L346 WeakPolarHBondContact O-CG 3.37Å; I342-L346 PolarHBondContact O-N 3.37Å; L346-F349 PolarHBondContact O-N 2.9Å; L346-Y350 WeakPolarHBondContact O-CB 3.45Å; L346-Y350 PolarHBondContact O-N 2.85Å
347N95.5Very high93.9Very high20 Ų2051.8 Ų51.811%0.10728%0.277CS..Hα-helixtrans-65.7-40.2178.3-173.6-98.7000112.3D18 V20 K250 I343 T344 V345 Y350 W351D18-N347 PolarHBondContact OD2-ND2 3.2Å; V20-N347 HydrophobicContact CB-CB 3.98Å; V20-N347 HydrophobicContact CG1-CB 3.66Å; V20-N347 HydrophobicContact CG2-CB 3.96Å; K250-N347 WeakPolarHBondContact CE-OD1 3.47Å; K250-N347 PolarHBondContact NZ-OD1 3.41Å; I343-N347 VanDerWaalsContact O-CB 3.31Å; I343-N347 WeakPolarHBondContact O-CB 3.2Å; I343-N347 PolarHBondContact O-N 3Å; T344-N347 PolarHBondContact O-N 3.44Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 3.27Å; N347-Y350 WeakPolarHBondContact O-CB 3.36Å; N347-Y350 PolarHBondContact O-N 3.24Å; N347-W351 PolarHBondContact O-N 2.98Å; N347-W351 VanDerWaalsContact OD1-CD1 3.27Å
348F95.7Very high93.6Very high31 Ų3157.1 Ų57.114%0.13630%0.301CS..Hα-helixtrans-59.9-48174.9175.1-112.8000112.1K250 F251 I254 T344 V345 Y350 W351 I352K250-F348 HydrophobicContact CB-CD2 3.68Å; K250-F348 HydrophobicContact CB-CE2 4.39Å; F251-F348 HydrophobicContact CB-CE2 3.94Å; F251-F348 HydrophobicContact CB-CZ 4.15Å; F251-F348 HydrophobicContact CD2-CZ 4.36Å; I254-F348 HydrophobicContact CD1-CB 3.48Å; I254-F348 VanDerWaalsContact CD1-CB 3.48Å; I254-F348 HydrophobicContact CD1-CD1 3.56Å; I254-F348 HydrophobicContact CD1-CD2 4.27Å; I254-F348 HydrophobicContact CD1-CE1 4.28Å; I254-F348 HydrophobicContact CD1-CG 3.52Å; T344-F348 WeakPolarHBondContact O-CB 3.37Å; T344-F348 PolarHBondContact O-N 2.95Å; V345-F348 PolarHBondContact O-N 3.49Å; F348-Y350 VanDerWaalsContact C-N 3.33Å; F348-Y350 PolarHBondContact O-N 3.4Å; F348-W351 PolarHBondContact O-N 3.28Å; F348-I352 HydrophobicContact CD1-CD1 3.77Å; F348-I352 HydrophobicContact CD2-CD1 4.25Å; F348-I352 HydrophobicContact CE1-CD1 3.32Å; F348-I352 HydrophobicContact CE1-CG1 4.5Å; F348-I352 HydrophobicContact CE2-CD1 3.86Å; F348-I352 HydrophobicContact CE2-CG1 4.34Å; F348-I352 HydrophobicContact CG-CD1 4.24Å; F348-I352 HydrophobicContact CZ-CD1 3.4Å; F348-I352 HydrophobicContact CZ-CG1 4.34Å; F348-I352 WeakPolarHBondContact O-CG1 3.21Å; F348-I352 PolarHBondContact O-N 3.4Å
349F95.9Very high93.5Very high121 Ų12165.3 Ų65.353%0.53133%0.329SS..Hα-helixtrans-65.2-36.5177.1-74.5-62.2000112.6V345 L346 I352 A353V345-F349 HydrophobicContact CG1-CD2 3.73Å; V345-F349 HydrophobicContact CG1-CE2 3.49Å; V345-F349 VanDerWaalsContact CG1-CE2 3.49Å; V345-F349 WeakPolarHBondContact O-CD2 3.41Å; V345-F349 PolarHBondContact O-N 3.3Å; V345-F349 VanDerWaalsContact O-N 3.09Å; L346-F349 PolarHBondContact O-N 2.9Å; F349-I352 HydrophobicContact CD1-CD1 4.49Å; F349-I352 PolarHBondContact O-N 3.34Å; F349-A353 WeakPolarHBondContact O-CB 3.11Å; F349-A353 PolarHBondContact O-N 3.22Å
350Y94.7Very high93.3Very high123 Ų12363.7 Ų63.748%0.48232%0.321SS..Hα-helixtrans-57.6-50.5171.6169.4-96.3000111.6L346 N347 F348 I352 A353 V354L346-Y350 WeakPolarHBondContact O-CB 3.45Å; L346-Y350 PolarHBondContact O-N 2.85Å; N347-Y350 WeakPolarHBondContact O-CB 3.36Å; N347-Y350 PolarHBondContact O-N 3.24Å; F348-Y350 VanDerWaalsContact C-N 3.33Å; F348-Y350 PolarHBondContact O-N 3.4Å; Y350-I352 VanDerWaalsContact C-N 3.35Å; Y350-I352 PolarHBondContact O-N 2.86Å; Y350-A353 PolarHBondContact O-N 3.5Å; Y350-V354 HydrophobicContact CD2-CG2 4.21Å; Y350-V354 HydrophobicContact CE1-CG2 4.1Å; Y350-V354 HydrophobicContact CE2-CG2 3.79Å; Y350-V354 WeakPolarHBondContact O-CB 3.35Å; Y350-V354 WeakPolarHBondContact O-CG2 3.44Å; Y350-V354 PolarHBondContact O-N 3.03Å
351W93.6Very high93.1Very high10 Ų1064.5 Ų64.54%0.03833%0.325CS..Hα-helixtrans-66.2-35.1179.8-81.9102.4000112.7D18 Y246 L247 K250 N347 F348 T355 F399 R402 I403D18-W351 PolarHBondContact OD2-NE1 3.46Å; Y246-W351 AromaticContact CE1-CD2 3.83Å; Y246-W351 HydrophobicContact CE1-CD2 3.83Å; Y246-W351 AromaticContact CE1-CE2 3.88Å; Y246-W351 HydrophobicContact CE1-CE3 4.12Å; Y246-W351 HydrophobicContact CE1-CG 4.24Å; Y246-W351 HydrophobicContact CE1-CH2 4.44Å; Y246-W351 HydrophobicContact CE1-CZ2 4.18Å; Y246-W351 HydrophobicContact CE1-CZ3 4.43Å; L247-W351 HydrophobicContact CD2-CB 3.83Å; K250-W351 HydrophobicContact CD-CB 4.17Å; K250-W351 HydrophobicContact CD-CG 4.04Å; N347-W351 PolarHBondContact O-N 2.98Å; N347-W351 VanDerWaalsContact OD1-CD1 3.27Å; F348-W351 PolarHBondContact O-N 3.28Å; W351-T355 WeakPolarHBondContact O-CB 3.49Å; W351-T355 PolarHBondContact O-N 2.87Å; W351-T355 PolarHBondContact O-OG1 3.4Å; W351-F399 HydrophobicContact CE3-CD2 4.17Å; W351-F399 HydrophobicContact CE3-CE2 4.22Å; W351-F399 HydrophobicContact CH2-CD2 4.15Å; W351-F399 AromaticContact CH2-CE2 3.94Å; W351-F399 HydrophobicContact CH2-CE2 3.94Å; W351-F399 AromaticContact CZ3-CD2 3.53Å; W351-F399 HydrophobicContact CZ3-CD2 3.53Å; W351-F399 AromaticContact CZ3-CE2 3.67Å; W351-F399 HydrophobicContact CZ3-CE2 3.67Å; W351-R402 HydrophobicContact CH2-CB 4.26Å; W351-I403 HydrophobicContact CH2-CD1 3.69Å; W351-I403 HydrophobicContact CH2-CG1 4.34Å; W351-I403 HydrophobicContact CZ2-CD1 3.91Å
352I92.4Very high93Very high44 Ų4464.2 Ų64.223%0.22632%0.319CS..Hα-helixtrans-60.4-51.3170.3-73.8175000110.6L247 F348 F349 Y350 V354 T355 I356L247-I352 HydrophobicContact CD2-CG1 4Å; F348-I352 HydrophobicContact CD1-CD1 3.77Å; F348-I352 HydrophobicContact CD2-CD1 4.25Å; F348-I352 HydrophobicContact CE1-CD1 3.32Å; F348-I352 HydrophobicContact CE1-CG1 4.5Å; F348-I352 HydrophobicContact CE2-CD1 3.86Å; F348-I352 HydrophobicContact CE2-CG1 4.34Å; F348-I352 HydrophobicContact CG-CD1 4.24Å; F348-I352 HydrophobicContact CZ-CD1 3.4Å; F348-I352 HydrophobicContact CZ-CG1 4.34Å; F348-I352 WeakPolarHBondContact O-CG1 3.21Å; F348-I352 PolarHBondContact O-N 3.4Å; F349-I352 HydrophobicContact CD1-CD1 4.49Å; F349-I352 PolarHBondContact O-N 3.34Å; Y350-I352 VanDerWaalsContact C-N 3.35Å; Y350-I352 PolarHBondContact O-N 2.86Å; I352-V354 VanDerWaalsContact C-N 3.35Å; I352-V354 PolarHBondContact O-N 3.23Å; I352-T355 PolarHBondContact O-N 3.06Å; I352-I356 HydrophobicContact CG2-CD1 3.55Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 WeakPolarHBondContact O-CB 3.19Å; I352-I356 WeakPolarHBondContact O-CG1 3.34Å; I352-I356 PolarHBondContact O-N 3.32Å
353A93.3Very high92.8Very high57 Ų5765.5 Ų65.547%0.47132%0.323SS..Hα-helixtrans-61.6-42.7-177.500000112F349 Y350 S357F349-A353 WeakPolarHBondContact O-CB 3.11Å; F349-A353 PolarHBondContact O-N 3.22Å; Y350-A353 PolarHBondContact O-N 3.5Å; A353-S357 WeakPolarHBondContact O-CB 3.32Å; A353-S357 PolarHBondContact O-N 3.09Å; A353-S357 VanDerWaalsContact O-N 3.07Å
354V91.9Very high92.7Very high11 Ų1163.4 Ų63.47%0.06731%0.311CS..Hα-helixtrans-67.8-37.5177.3171.10000112.1Y350 I352 R402Y350-V354 HydrophobicContact CD2-CG2 4.21Å; Y350-V354 HydrophobicContact CE1-CG2 4.1Å; Y350-V354 HydrophobicContact CE2-CG2 3.79Å; Y350-V354 WeakPolarHBondContact O-CB 3.35Å; Y350-V354 WeakPolarHBondContact O-CG2 3.44Å; Y350-V354 PolarHBondContact O-N 3.03Å; I352-V354 VanDerWaalsContact C-N 3.35Å; I352-V354 PolarHBondContact O-N 3.23Å; V354-R402 VanDerWaalsContact CG1-NE 3.33Å
355T88Confident92.5Very high25 Ų2563.1 Ų63.115%0.15331%0.309CS..Hα-helixtrans-71.7-44179.6-60.90000112T243 L247 W351 I352 Q361T243-T355 HydrophobicContact CG2-CG2 3.47Å; T243-T355 VanDerWaalsContact CG2-CG2 3.47Å; T243-T355 WeakPolarHBondContact CG2-OG1 3.19Å; L247-T355 HydrophobicContact CD1-CG2 4.09Å; W351-T355 WeakPolarHBondContact O-CB 3.49Å; W351-T355 PolarHBondContact O-N 2.87Å; W351-T355 PolarHBondContact O-OG1 3.4Å; I352-T355 PolarHBondContact O-N 3.06Å; T355-Q361 PolarHBondContact O-NE2 2.87Å
356I88.2Confident92.3Very high130 Ų13061.3 Ų61.367%0.66730%0.299SS*.Hα-helixtrans-73.7-37.8-177.4-66.3175.1000111.2I352 Q358I352-I356 HydrophobicContact CG2-CD1 3.55Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 WeakPolarHBondContact O-CB 3.19Å; I352-I356 WeakPolarHBondContact O-CG1 3.34Å; I352-I356 PolarHBondContact O-N 3.32Å; I356-Q358 PolarHBondContact O-N 2.95Å; I356-Q358 VanDerWaalsContact O-N 3.08Å
357S88.9Confident92.1Very high45 Ų4561.1 Ų61.132%0.31529%0.29SS..  trans-76100.8-174.4-176.40000112.3A353 R359 S360 Q361A353-S357 WeakPolarHBondContact O-CB 3.32Å; A353-S357 PolarHBondContact O-N 3.09Å; A353-S357 VanDerWaalsContact O-N 3.07Å; S357-R359 PolarHBondContact O-N 3.04Å; S357-S360 WeakPolarHBondContact O-CB 3.48Å; S357-S360 PolarHBondContact O-N 2.89Å; S357-S360 PolarHBondContact OG-N 3.35Å; S357-Q361 PolarHBondContact O-N 2.97Å; S357-Q361 VanDerWaalsContact O-N 3.11Å
358Q86.8Confident92Very high111 Ų11160.4 Ų60.452%0.51929%0.286SS..Hα-helixtrans-56.8-30.4169.7-68.8-170.66.200112.2I356 Q361 F362I356-Q358 PolarHBondContact O-N 2.95Å; I356-Q358 VanDerWaalsContact O-N 3.08Å; Q358-Q361 PolarHBondContact O-N 2.98Å; Q358-F362 WeakPolarHBondContact O-CB 3.46Å; Q358-F362 PolarHBondContact O-N 3.33Å
359R90.9Very high91.8Very high215 Ų21559 Ų5981%0.81128%0.28SS*.Hα-helixtrans-65.5-41.4175.1-65.5-177-177.4169.10.6111.7S357 F362 H363S357-R359 PolarHBondContact O-N 3.04Å; R359-F362 PolarHBondContact O-N 3.38Å; R359-H363 WeakPolarHBondContact O-CB 3.49Å; R359-H363 PolarHBondContact O-N 2.9Å
360S91.6Very high91.6Very high36 Ų3658.1 Ų58.125%0.25227%0.273SS..Hα-helixtrans-65.7-41.4175.9-177.10000111.7S357 H363 F364 R402S357-S360 WeakPolarHBondContact O-CB 3.48Å; S357-S360 PolarHBondContact O-N 2.89Å; S357-S360 PolarHBondContact OG-N 3.35Å; S360-H363 PolarHBondContact O-N 3.27Å; S360-F364 WeakPolarHBondContact O-CB 3.33Å; S360-F364 PolarHBondContact O-N 3.24Å; S360-R402 PolarHBondContact O-NH2 3.44Å; S360-R402 VanDerWaalsContact O-NH2 3.11Å; S360-R402 PolarHBondContact OG-NH2 2.92Å
361Q91.9Very high91.3Very high16 Ų1657.3 Ų57.38%0.07528%0.28CS..Hα-helixtrans-61.3-45.1174-62.8-178.623.200111.6T355 S357 Q358 F364 I365 V398T355-Q361 PolarHBondContact O-NE2 2.87Å; S357-Q361 PolarHBondContact O-N 2.97Å; S357-Q361 VanDerWaalsContact O-N 3.11Å; Q358-Q361 PolarHBondContact O-N 2.98Å; Q361-F364 PolarHBondContact O-N 3.47Å; Q361-I365 PolarHBondContact O-N 3.38Å; Q361-V398 HydrophobicContact CB-CG1 4.11Å; Q361-V398 HydrophobicContact CB-CG2 4.36Å; Q361-V398 HydrophobicContact CG-CG1 4.02Å
362F92.3Very high91Very high33 Ų3358.7 Ų58.715%0.14529%0.291CS..Hα-helixtrans-60.1-52.5175.7-179.6-88.5000112Q358 R359 F364 I365 S366 Q382 I385 N386 L389Q358-F362 WeakPolarHBondContact O-CB 3.46Å; Q358-F362 PolarHBondContact O-N 3.33Å; R359-F362 PolarHBondContact O-N 3.38Å; F362-F364 VanDerWaalsContact C-N 3.28Å; F362-F364 PolarHBondContact O-N 2.95Å; F362-I365 PolarHBondContact O-N 3.38Å; F362-S366 VanDerWaalsContact O-CB 3.29Å; F362-S366 WeakPolarHBondContact O-CB 3.18Å; F362-S366 PolarHBondContact O-N 3.09Å; F362-S366 PolarHBondContact O-OG 3.29Å; F362-S366 VanDerWaalsContact O-OG 3.13Å; F362-Q382 HydrophobicContact CE2-CB 4.32Å; F362-Q382 WeakPolarHBondContact CE2-O 3.41Å; F362-Q382 HydrophobicContact CZ-CB 3.9Å; F362-Q382 HydrophobicContact CZ-CG 3.94Å; F362-I385 HydrophobicContact CD2-CB 4.45Å; F362-I385 HydrophobicContact CD2-CG2 3.81Å; F362-I385 HydrophobicContact CE2-CB 3.78Å; F362-I385 HydrophobicContact CE2-CG2 3.56Å; F362-I385 HydrophobicContact CZ-CG2 4.37Å; F362-N386 WeakPolarHBondContact CD2-OD1 3.24Å; F362-L389 HydrophobicContact CB-CD1 3.92Å; F362-L389 HydrophobicContact CD2-CD1 3.76Å; F362-L389 HydrophobicContact CG-CD1 4.29Å
363H92.1Very high90.5Very high119 Ų11958.8 Ų58.855%0.55129%0.293SS*.Hα-helixtrans-60.4-37.9-178.9-174.6-82.8000112.4R359 S360 S366 R367R359-H363 WeakPolarHBondContact O-CB 3.49Å; R359-H363 PolarHBondContact O-N 2.9Å; S360-H363 PolarHBondContact O-N 3.27Å; H363-S366 WeakPolarHBondContact CA-OG 3.38Å; H363-S366 PolarHBondContact O-OG 3.37Å; H363-S366 VanDerWaalsContact O-OG 3.13Å; H363-R367 WeakPolarHBondContact O-CB 3.14Å; H363-R367 PolarHBondContact O-N 3.4Å
364F93.2Very high89.9Confident20 Ų2062.7 Ų62.79%0.08831%0.306CS..Hα-helixtrans-64.7-48.7177.6176.9-100.3000112.1S360 Q361 F362 R367 Y368 V398 L401 R402 A405S360-F364 WeakPolarHBondContact O-CB 3.33Å; S360-F364 PolarHBondContact O-N 3.24Å; Q361-F364 PolarHBondContact O-N 3.47Å; F362-F364 VanDerWaalsContact C-N 3.28Å; F362-F364 PolarHBondContact O-N 2.95Å; F364-R367 WeakPolarHBondContact O-CB 3.42Å; F364-R367 PolarHBondContact O-N 3.18Å; F364-Y368 HydrophobicContact CD1-CE2 4.22Å; F364-Y368 AromaticContact CD2-CE2 3.98Å; F364-Y368 HydrophobicContact CD2-CE2 3.98Å; F364-Y368 HydrophobicContact CE1-CD2 4.38Å; F364-Y368 AromaticContact CE1-CE2 3.79Å; F364-Y368 HydrophobicContact CE1-CE2 3.79Å; F364-Y368 AromaticContact CE2-CE2 3.54Å; F364-Y368 HydrophobicContact CE2-CE2 3.54Å; F364-Y368 HydrophobicContact CG-CE2 4.31Å; F364-Y368 HydrophobicContact CZ-CD2 4.43Å; F364-Y368 AromaticContact CZ-CE2 3.43Å; F364-Y368 HydrophobicContact CZ-CE2 3.43Å; F364-Y368 VanDerWaalsContact CZ-CE2 3.43Å; F364-Y368 WeakPolarHBondContact O-CD2 3.39Å; F364-V398 HydrophobicContact CD1-CG1 4.14Å; F364-L401 HydrophobicContact CE1-CB 4.25Å; F364-R402 HydrophobicContact CD1-CG 3.98Å; F364-R402 HydrophobicContact CD2-CG 4.19Å; F364-R402 HydrophobicContact CE1-CG 3.51Å; F364-R402 HydrophobicContact CE2-CG 3.73Å; F364-R402 HydrophobicContact CG-CG 4.3Å; F364-R402 HydrophobicContact CZ-CB 4.14Å; F364-R402 HydrophobicContact CZ-CG 3.36Å; F364-A405 HydrophobicContact CZ-CB 4.23Å
365I93.3Very high89.3Confident0 Ų063.1 Ų63.10%031%0.307CS..Hα-helixtrans-72.3-38.8179.5-64.3-57.7000111.7Q361 F362 R367 Y368 L369 F388 L389 L393 V398 L401 V417Q361-I365 PolarHBondContact O-N 3.38Å; F362-I365 PolarHBondContact O-N 3.38Å; I365-R367 PolarHBondContact O-N 3.43Å; I365-Y368 PolarHBondContact O-N 2.93Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.24Å; I365-L369 WeakPolarHBondContact O-CG 3.4Å; I365-L369 PolarHBondContact O-N 3.11Å; I365-F388 HydrophobicContact CG2-CD1 4.45Å; I365-F388 HydrophobicContact CG2-CE1 4.28Å; I365-L389 HydrophobicContact CB-CD2 3.97Å; I365-L389 HydrophobicContact CG1-CD2 3.58Å; I365-L389 HydrophobicContact CG2-CD2 4.31Å; I365-L393 HydrophobicContact CD1-CD2 3.82Å; I365-L393 HydrophobicContact CG1-CD2 4.08Å; I365-V398 HydrophobicContact CG1-CG2 4.25Å; I365-L401 HydrophobicContact CD1-CD1 3.88Å; I365-V417 HydrophobicContact CD1-CG2 4.35Å; I365-V417 HydrophobicContact CG2-CG1 4.41Å
366S92.1Very high88.7Confident5 Ų565 Ų654%0.03532%0.321CS..Hα-helixtrans-62.6-33.6176.470.80000111.7F362 H363 Y368 L369 R370F362-S366 VanDerWaalsContact O-CB 3.29Å; F362-S366 WeakPolarHBondContact O-CB 3.18Å; F362-S366 PolarHBondContact O-N 3.09Å; F362-S366 PolarHBondContact O-OG 3.29Å; F362-S366 VanDerWaalsContact O-OG 3.13Å; H363-S366 WeakPolarHBondContact CA-OG 3.38Å; H363-S366 PolarHBondContact O-OG 3.37Å; H363-S366 VanDerWaalsContact O-OG 3.13Å; S366-Y368 PolarHBondContact O-N 2.86Å; S366-L369 PolarHBondContact O-N 3.22Å; S366-R370 WeakPolarHBondContact O-CB 3.33Å; S366-R370 WeakPolarHBondContact O-CG 3.42Å; S366-R370 PolarHBondContact O-N 3.41Å
367R92.3Very high88.2Confident111 Ų11163.5 Ų63.542%0.41932%0.315SS..Hα-helixtrans-57.9-47.2174.5-173-178.479.1159.68.6112H363 F364 I365 V371 D410H363-R367 WeakPolarHBondContact O-CB 3.14Å; H363-R367 PolarHBondContact O-N 3.4Å; F364-R367 WeakPolarHBondContact O-CB 3.42Å; F364-R367 PolarHBondContact O-N 3.18Å; I365-R367 PolarHBondContact O-N 3.43Å; R367-V371 WeakPolarHBondContact O-CG2 3.45Å; R367-D410 IonicContact NH2-OD1 2.73Å; R367-D410 PolarHBondContact NH2-OD1 2.96Å; R367-D410 IonicContact NH2-OD2 3.93Å
368Y93.3Very high88Confident6 Ų663.1 Ų63.12%0.02431%0.312CS..Hα-helixtrans-70.7-41.9179.1-67.9-70.1000112.5F364 I365 S366 R370 V371 S372 A405 D410 T413 T414 V417F364-Y368 HydrophobicContact CD1-CE2 4.22Å; F364-Y368 AromaticContact CD2-CE2 3.98Å; F364-Y368 HydrophobicContact CD2-CE2 3.98Å; F364-Y368 HydrophobicContact CE1-CD2 4.38Å; F364-Y368 AromaticContact CE1-CE2 3.79Å; F364-Y368 HydrophobicContact CE1-CE2 3.79Å; F364-Y368 AromaticContact CE2-CE2 3.54Å; F364-Y368 HydrophobicContact CE2-CE2 3.54Å; F364-Y368 HydrophobicContact CG-CE2 4.31Å; F364-Y368 HydrophobicContact CZ-CD2 4.43Å; F364-Y368 AromaticContact CZ-CE2 3.43Å; F364-Y368 HydrophobicContact CZ-CE2 3.43Å; F364-Y368 VanDerWaalsContact CZ-CE2 3.43Å; F364-Y368 WeakPolarHBondContact O-CD2 3.39Å; I365-Y368 PolarHBondContact O-N 2.93Å; S366-Y368 PolarHBondContact O-N 2.86Å; Y368-R370 VanDerWaalsContact C-N 3.32Å; Y368-R370 PolarHBondContact O-N 3.34Å; Y368-V371 PolarHBondContact O-N 3.32Å; Y368-V371 VanDerWaalsContact O-N 3.11Å; Y368-S372 PolarHBondContact O-N 3.27Å; Y368-S372 PolarHBondContact O-OG 3.1Å; Y368-A405 WeakPolarHBondContact OH-CB 3.48Å; Y368-D410 HydrophobicContact CE1-CB 4.3Å; Y368-D410 PolarHBondContact OH-OD1 2.92Å; Y368-T413 HydrophobicContact CD2-CG2 4.5Å; Y368-T413 HydrophobicContact CE1-CG2 4.06Å; Y368-T413 HydrophobicContact CE2-CG2 4.05Å; Y368-T414 VanDerWaalsContact CD1-OG1 3.31Å; Y368-T414 WeakPolarHBondContact CD1-OG1 3.4Å; Y368-V417 HydrophobicContact CD2-CG2 4.43Å; Y368-V417 HydrophobicContact CG-CG2 4.46Å
369L91.8Very high88Confident1 Ų162.8 Ų62.81%0.00531%0.313CS..Hα-helixtrans-66.8-32.2-179.9-70.6176.3000113.3I365 S366 V371 S372 D373 I375 I385 V417 W421I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.24Å; I365-L369 WeakPolarHBondContact O-CG 3.4Å; I365-L369 PolarHBondContact O-N 3.11Å; S366-L369 PolarHBondContact O-N 3.22Å; L369-V371 VanDerWaalsContact C-N 3.27Å; L369-V371 PolarHBondContact O-N 3.41Å; L369-S372 PolarHBondContact O-N 3.18Å; L369-S372 PolarHBondContact O-OG 3.27Å; L369-D373 PolarHBondContact O-N 3.12Å; L369-I375 HydrophobicContact CB-CD1 3.76Å; L369-I375 HydrophobicContact CB-CG1 4.44Å; L369-I375 HydrophobicContact CD1-CD1 4.25Å; L369-I375 HydrophobicContact CG-CD1 4.41Å; L369-I385 HydrophobicContact CD1-CD1 4.21Å; L369-I385 HydrophobicContact CD1-CG1 4.01Å; L369-I385 HydrophobicContact CD1-CG2 4.49Å; L369-V417 HydrophobicContact CD2-CG1 3.72Å; L369-V417 HydrophobicContact CG-CG1 3.91Å; L369-W421 HydrophobicContact CD1-CD2 4.11Å; L369-W421 HydrophobicContact CD1-CE3 4.04Å; L369-W421 HydrophobicContact CD1-CZ3 4.31Å; L369-W421 HydrophobicContact CD2-CB 3.71Å; L369-W421 HydrophobicContact CD2-CD2 4.02Å; L369-W421 HydrophobicContact CD2-CG 3.6Å
370R90.3Very high87.8Confident102 Ų10256.5 Ų56.539%0.38530%0.3SS..Hα-helixtrans-62.4-35.9172-78.6175.2-176.7173.31.7111.9S366 Y368 N374 D377S366-R370 WeakPolarHBondContact O-CB 3.33Å; S366-R370 WeakPolarHBondContact O-CG 3.42Å; S366-R370 PolarHBondContact O-N 3.41Å; Y368-R370 VanDerWaalsContact C-N 3.32Å; Y368-R370 PolarHBondContact O-N 3.34Å; R370-N374 WeakPolarHBondContact O-CA 3.42Å; R370-N374 PolarHBondContact O-N 3.32Å; R370-N374 PolarHBondContact O-OD1 3.39Å; R370-D377 IonicContact CZ-OD1 2.82Å; R370-D377 IonicContact CZ-OD2 3.88Å; R370-D377 IonicContact NE-OD1 3.83Å; R370-D377 PolarHBondContact NE-OD1 3.45Å; R370-D377 IonicContact NH2-OD1 3.76Å; R370-D377 PolarHBondContact NH2-OD1 2.93Å; R370-D377 IonicContact NH2-OD2 3.93Å; R370-D377 PolarHBondContact NH2-OD2 3.25Å
371V89.8Confident87.6Confident106 Ų10657.8 Ų57.864%0.64230%0.302SS*.Hα-helixtrans-77.2-37.7179.4176.20000111.6R367 Y368 L369 T414R367-V371 WeakPolarHBondContact O-CG2 3.45Å; Y368-V371 PolarHBondContact O-N 3.32Å; Y368-V371 VanDerWaalsContact O-N 3.11Å; L369-V371 VanDerWaalsContact C-N 3.27Å; L369-V371 PolarHBondContact O-N 3.41Å; V371-T414 HydrophobicContact CG1-CG2 4.32Å
372S87Confident87.4Confident39 Ų3960.3 Ų60.327%0.27331%0.314SS..Hα-helixtrans-81.6-45.4-176.866.90000114Y368 L369Y368-S372 PolarHBondContact O-N 3.27Å; Y368-S372 PolarHBondContact O-OG 3.1Å; L369-S372 PolarHBondContact O-N 3.18Å; L369-S372 PolarHBondContact O-OG 3.27Å
373D82.2Confident87.2Confident47 Ų4766.2 Ų66.225%0.25134%0.335SS..Hα-helixtrans-114.21.7-167.9-95.11.8000113.1L369 I375 H418 W421 Q422L369-D373 PolarHBondContact O-N 3.12Å; D373-I375 HydrophobicContact CB-CD1 4.08Å; D373-I375 HydrophobicContact CB-CG1 3.55Å; D373-I375 PolarHBondContact O-N 3.12Å; D373-I375 VanDerWaalsContact O-N 3.15Å; D373-H418 IonicContact OD1-CD2 2.84Å; D373-H418 PolarHBondContact OD1-CD2 2.85Å; D373-H418 IonicContact OD1-NE2 3.43Å; D373-H418 PolarHBondContact OD1-NE2 3.22Å; D373-W421 PolarHBondContact OD2-NE1 2.85Å; D373-W421 VanDerWaalsContact OD2-NE1 3.09Å; D373-Q422 PolarHBondContact OD1-NE2 3.43Å
374N79.8Confident87.2Confident139 Ų13962.3 Ų62.374%0.74332%0.319SS*.  trans48.937.1-172.7-70.6-34000113.1R370 S376R370-N374 WeakPolarHBondContact O-CA 3.42Å; R370-N374 PolarHBondContact O-N 3.32Å; R370-N374 PolarHBondContact O-OD1 3.39Å; N374-S376 PolarHBondContact O-N 3.24Å
375I79.5Confident87.1Confident20 Ų2061.7 Ų61.710%0.10332%0.316CS..  trans-59.8127.6-177.6-54.8-169.6000109.7L369 D373 E381 I385 W421L369-I375 HydrophobicContact CB-CD1 3.76Å; L369-I375 HydrophobicContact CB-CG1 4.44Å; L369-I375 HydrophobicContact CD1-CD1 4.25Å; L369-I375 HydrophobicContact CG-CD1 4.41Å; D373-I375 HydrophobicContact CB-CD1 4.08Å; D373-I375 HydrophobicContact CB-CG1 3.55Å; D373-I375 PolarHBondContact O-N 3.12Å; D373-I375 VanDerWaalsContact O-N 3.15Å; I375-E381 HydrophobicContact CG2-CB 3.74Å; I375-E381 HydrophobicContact CG2-CG 4.04Å; I375-E381 WeakPolarHBondContact CG2-OE2 3.25Å; I375-I385 HydrophobicContact CG2-CD1 4.39Å; I375-W421 HydrophobicContact CD1-CZ2 3.9Å
376S76.6Confident87Confident64 Ų6464.1 Ų64.145%0.44833%0.329SS..  trans-73.3157.2179.576.30000111.1N374 S378 E381N374-S376 PolarHBondContact O-N 3.24Å; S376-S378 PolarHBondContact O-N 2.83Å; S376-S378 WeakPolarHBondContact OG-CB 3.39Å; S376-S378 PolarHBondContact OG-OG 3.37Å; S376-E381 WeakPolarHBondContact CA-OE2 3.32Å; S376-E381 WeakPolarHBondContact CB-OE2 3.21Å; S376-E381 PolarHBondContact N-OE2 3.06Å; S376-E381 PolarHBondContact OG-OE2 3.15Å
377D76.8Confident86.9Confident98 Ų9869.8 Ų69.852%0.52435%0.35SS..  trans-74.922.8177-77.9-21.3000113.4R370 Q382R370-D377 IonicContact CZ-OD1 2.82Å; R370-D377 IonicContact CZ-OD2 3.88Å; R370-D377 IonicContact NE-OD1 3.83Å; R370-D377 PolarHBondContact NE-OD1 3.45Å; R370-D377 IonicContact NH2-OD1 3.76Å; R370-D377 PolarHBondContact NH2-OD1 2.93Å; R370-D377 IonicContact NH2-OD2 3.93Å; R370-D377 PolarHBondContact NH2-OD2 3.25Å; D377-Q382 PolarHBondContact O-NE2 3.43Å
378S85.1Confident86.9Confident37 Ų3764.6 Ų64.626%0.25933%0.33SS..  trans-64.7138.3-179.275.70000111.9S376 E381 Q382S376-S378 PolarHBondContact O-N 2.83Å; S376-S378 WeakPolarHBondContact OG-CB 3.39Å; S376-S378 PolarHBondContact OG-OG 3.37Å; S378-E381 PolarHBondContact O-N 3.04Å; S378-E381 VanDerWaalsContact O-N 3.13Å; S378-E381 WeakPolarHBondContact OG-CB 3.47Å; S378-E381 VanDerWaalsContact OG-CG 3.29Å; S378-E381 WeakPolarHBondContact OG-CG 3.35Å; S378-E381 PolarHBondContact OG-OE2 3.35Å; S378-Q382 WeakPolarHBondContact O-CG 3.44Å; S378-Q382 PolarHBondContact O-N 2.78Å
379L86.3Confident86.8Confident104 Ų10464.7 Ų64.755%0.54533%0.331SS..Hα-helixtrans-50.1-41.8176.6-156.294.7000114.6R383L379-R383 VanDerWaalsContact CD2-CZ 3.49Å; L379-R383 WeakPolarHBondContact O-CG 3.31Å; L379-R383 PolarHBondContact O-N 3.49Å; L379-R383 VanDerWaalsContact O-N 3.1Å
380P86.9Confident86.5Confident83 Ų8371.8 Ų71.854%0.53936%0.358SS..Hα-helixtrans-65.7-37.7177.924.9-34.7000113.3R383 L384P380-R383 PolarHBondContact O-N 2.87Å; P380-L384 PolarHBondContact O-N 2.91Å
381E86.2Confident86.2Confident64 Ų6472.5 Ų72.530%0.29937%0.365SS..Hα-helixtrans-69.7-41.4177.9-71.1175.7147.200111I375 S376 S378 R383 L384 I385I375-E381 HydrophobicContact CG2-CB 3.74Å; I375-E381 HydrophobicContact CG2-CG 4.04Å; I375-E381 WeakPolarHBondContact CG2-OE2 3.25Å; S376-E381 WeakPolarHBondContact CA-OE2 3.32Å; S376-E381 WeakPolarHBondContact CB-OE2 3.21Å; S376-E381 PolarHBondContact N-OE2 3.06Å; S376-E381 PolarHBondContact OG-OE2 3.15Å; S378-E381 PolarHBondContact O-N 3.04Å; S378-E381 VanDerWaalsContact O-N 3.13Å; S378-E381 WeakPolarHBondContact OG-CB 3.47Å; S378-E381 VanDerWaalsContact OG-CG 3.29Å; S378-E381 WeakPolarHBondContact OG-CG 3.35Å; S378-E381 PolarHBondContact OG-OE2 3.35Å; E381-R383 VanDerWaalsContact C-N 3.27Å; E381-R383 PolarHBondContact O-N 3.27Å; E381-L384 WeakPolarHBondContact O-CA 3.46Å; E381-L384 WeakPolarHBondContact O-CB 3.43Å; E381-L384 PolarHBondContact O-N 3.48Å; E381-I385 WeakPolarHBondContact O-CG1 3.38Å; E381-I385 PolarHBondContact O-N 2.91Å
382Q88.1Confident86Confident68 Ų6868.9 Ų68.932%0.31834%0.343SS..Hα-helixtrans-58.6-38.7172.9-63-173.821.300112.1F362 D377 S378 N386F362-Q382 HydrophobicContact CE2-CB 4.32Å; F362-Q382 WeakPolarHBondContact CE2-O 3.41Å; F362-Q382 HydrophobicContact CZ-CB 3.9Å; F362-Q382 HydrophobicContact CZ-CG 3.94Å; D377-Q382 PolarHBondContact O-NE2 3.43Å; S378-Q382 WeakPolarHBondContact O-CG 3.44Å; S378-Q382 PolarHBondContact O-N 2.78Å; Q382-N386 WeakPolarHBondContact O-CB 3.42Å; Q382-N386 PolarHBondContact O-N 3.49Å; Q382-N386 PolarHBondContact O-ND2 3.31Å
383R89.4Confident86Confident157 Ų15767.1 Ų67.159%0.59233%0.331SS*.Hα-helixtrans-66.7-36.4174.1-70.8173.3-174171.5-2.6112L379 P380 E381 R387L379-R383 VanDerWaalsContact CD2-CZ 3.49Å; L379-R383 WeakPolarHBondContact O-CG 3.31Å; L379-R383 PolarHBondContact O-N 3.49Å; L379-R383 VanDerWaalsContact O-N 3.1Å; P380-R383 PolarHBondContact O-N 2.87Å; E381-R383 VanDerWaalsContact C-N 3.27Å; E381-R383 PolarHBondContact O-N 3.27Å; R383-R387 WeakPolarHBondContact O-CG 3.35Å; R383-R387 PolarHBondContact O-N 3.07Å
384L90.5Very high86.1Confident38 Ų3868.3 Ų68.320%0.19933%0.332CS..Hα-helixtrans-67.9-44.1176.8-17266000111.6P380 E381 N386 R387 F388 W421 Y424P380-L384 PolarHBondContact O-N 2.91Å; E381-L384 WeakPolarHBondContact O-CA 3.46Å; E381-L384 WeakPolarHBondContact O-CB 3.43Å; E381-L384 PolarHBondContact O-N 3.48Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 3.33Å; L384-R387 WeakPolarHBondContact O-CB 3.35Å; L384-R387 PolarHBondContact O-N 2.97Å; L384-R387 VanDerWaalsContact O-N 3.11Å; L384-F388 PolarHBondContact O-N 3.34Å; L384-W421 HydrophobicContact CB-CH2 4.25Å; L384-W421 HydrophobicContact CD2-CH2 3.72Å; L384-W421 HydrophobicContact CD2-CZ2 3.87Å; L384-W421 HydrophobicContact CG-CH2 3.68Å; L384-W421 HydrophobicContact CG-CZ2 4.35Å; L384-W421 HydrophobicContact CG-CZ3 4.47Å; L384-Y424 HydrophobicContact CD1-CE1 3.99Å; L384-Y424 HydrophobicContact CG-CE1 4.35Å
385I91.2Very high86.4Confident6 Ų663 Ų633%0.03131%0.305CS..Hα-helixtrans-60.9-44.2174.6-65.2169000110.3F362 L369 I375 E381 R387 F388 L389 W421F362-I385 HydrophobicContact CD2-CB 4.45Å; F362-I385 HydrophobicContact CD2-CG2 3.81Å; F362-I385 HydrophobicContact CE2-CB 3.78Å; F362-I385 HydrophobicContact CE2-CG2 3.56Å; F362-I385 HydrophobicContact CZ-CG2 4.37Å; L369-I385 HydrophobicContact CD1-CD1 4.21Å; L369-I385 HydrophobicContact CD1-CG1 4.01Å; L369-I385 HydrophobicContact CD1-CG2 4.49Å; I375-I385 HydrophobicContact CG2-CD1 4.39Å; E381-I385 WeakPolarHBondContact O-CG1 3.38Å; E381-I385 PolarHBondContact O-N 2.91Å; I385-R387 VanDerWaalsContact C-N 3.28Å; I385-R387 PolarHBondContact O-N 3.09Å; I385-F388 WeakPolarHBondContact O-CB 3.49Å; I385-F388 PolarHBondContact O-N 3.44Å; I385-L389 HydrophobicContact CG2-CD1 3.95Å; I385-L389 HydrophobicContact CG2-CG 4.36Å; I385-L389 WeakPolarHBondContact O-CB 3.25Å; I385-L389 VanDerWaalsContact O-CG 3.32Å; I385-L389 WeakPolarHBondContact O-CG 3.39Å; I385-L389 PolarHBondContact O-N 2.98Å; I385-W421 HydrophobicContact CG1-CH2 3.75Å; I385-W421 HydrophobicContact CG1-CZ2 4.46Å; I385-W421 HydrophobicContact CG1-CZ3 4.13Å
386N90.9Very high86.8Confident52 Ų5262.5 Ų62.528%0.27830%0.303SS..Hα-helixtrans-60.6-36.1174.7-83.9-55.3000112.8F362 Q382 L384 R390F362-N386 WeakPolarHBondContact CD2-OD1 3.24Å; Q382-N386 WeakPolarHBondContact O-CB 3.42Å; Q382-N386 PolarHBondContact O-N 3.49Å; Q382-N386 PolarHBondContact O-ND2 3.31Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 3.33Å; N386-R390 WeakPolarHBondContact O-CB 3.38Å; N386-R390 WeakPolarHBondContact O-CG 3.48Å; N386-R390 PolarHBondContact O-N 3.48Å
387R91Very high87.3Confident124 Ų12459.5 Ų59.547%0.46828%0.282SS..Hα-helixtrans-67-44173.7-77.7-174.5-76.8-176.8-1.8111.8R383 L384 I385 R390 H391R383-R387 WeakPolarHBondContact O-CG 3.35Å; R383-R387 PolarHBondContact O-N 3.07Å; L384-R387 WeakPolarHBondContact O-CB 3.35Å; L384-R387 PolarHBondContact O-N 2.97Å; L384-R387 VanDerWaalsContact O-N 3.11Å; I385-R387 VanDerWaalsContact C-N 3.28Å; I385-R387 PolarHBondContact O-N 3.09Å; R387-R390 PolarHBondContact O-N 2.9Å; R387-H391 WeakPolarHBondContact O-CB 2.97Å; R387-H391 PolarHBondContact O-N 3.39Å; R387-H391 PolarHBondContact O-ND1 2.85Å; R387-H391 VanDerWaalsContact O-ND1 3.07Å
388F91.8Very high88.1Confident1 Ų155 Ų550%0.00426%0.257CS..Hα-helixtrans-58.9-46.3174.8174.2-117000112.1I365 L384 I385 R390 V392 L393 L420 W421 Y424I365-F388 HydrophobicContact CG2-CD1 4.45Å; I365-F388 HydrophobicContact CG2-CE1 4.28Å; L384-F388 PolarHBondContact O-N 3.34Å; I385-F388 WeakPolarHBondContact O-CB 3.49Å; I385-F388 PolarHBondContact O-N 3.44Å; F388-R390 PolarHBondContact O-N 3.37Å; F388-V392 HydrophobicContact CD2-CB 3.79Å; F388-V392 HydrophobicContact CD2-CG1 4.3Å; F388-V392 HydrophobicContact CD2-CG2 3.86Å; F388-V392 HydrophobicContact CE2-CB 4.02Å; F388-V392 HydrophobicContact CE2-CG1 4.02Å; F388-V392 HydrophobicContact CE2-CG2 4.37Å; F388-V392 WeakPolarHBondContact O-CA 3.32Å; F388-V392 WeakPolarHBondContact O-CB 2.96Å; F388-V392 PolarHBondContact O-N 3.24Å; F388-L393 HydrophobicContact CD1-CD1 4.13Å; F388-L393 HydrophobicContact CD2-CD1 4.17Å; F388-L393 HydrophobicContact CE1-CD1 3.48Å; F388-L393 VanDerWaalsContact CE1-CD1 3.48Å; F388-L393 HydrophobicContact CE1-CD2 3.94Å; F388-L393 HydrophobicContact CE1-CG 4.35Å; F388-L393 HydrophobicContact CE2-CD1 3.53Å; F388-L393 HydrophobicContact CG-CD1 4.46Å; F388-L393 HydrophobicContact CZ-CD1 3.16Å; F388-L393 HydrophobicContact CZ-CD2 4.38Å; F388-L393 HydrophobicContact CZ-CG 4.4Å; F388-L393 PolarHBondContact O-N 3.49Å; F388-L420 HydrophobicContact CZ-CB 4.11Å; F388-W421 HydrophobicContact CB-CE3 4.02Å; F388-W421 HydrophobicContact CB-CZ3 3.56Å; F388-W421 AromaticContact CD1-CE3 3.63Å; F388-W421 HydrophobicContact CD1-CE3 3.63Å; F388-W421 AromaticContact CD1-CZ3 3.88Å; F388-W421 HydrophobicContact CD1-CZ3 3.88Å; F388-W421 HydrophobicContact CD2-CE3 4.02Å; F388-W421 HydrophobicContact CD2-CZ3 4.4Å; F388-W421 AromaticContact CE1-CE3 3.95Å; F388-W421 HydrophobicContact CE1-CE3 3.95Å; F388-W421 HydrophobicContact CE2-CE3 4.31Å; F388-W421 AromaticContact CG-CE3 3.64Å; F388-W421 HydrophobicContact CG-CE3 3.64Å; F388-W421 AromaticContact CG-CZ3 3.73Å; F388-W421 HydrophobicContact CG-CZ3 3.73Å; F388-W421 HydrophobicContact CZ-CB 4.35Å; F388-W421 HydrophobicContact CZ-CE3 4.25Å; F388-Y424 HydrophobicContact CB-CD1 3.96Å; F388-Y424 HydrophobicContact CB-CE1 3.79Å; F388-Y424 AromaticContact CD2-CD1 3.63Å; F388-Y424 HydrophobicContact CD2-CD1 3.63Å; F388-Y424 HydrophobicContact CD2-CD2 4.12Å; F388-Y424 HydrophobicContact CD2-CE1 4.27Å; F388-Y424 AromaticContact CD2-CG 3.53Å; F388-Y424 HydrophobicContact CD2-CG 3.53Å; F388-Y424 HydrophobicContact CE2-CD1 4.47Å; F388-Y424 HydrophobicContact CE2-CG 4.14Å; F388-Y424 HydrophobicContact CG-CD1 4.16Å; F388-Y424 HydrophobicContact CG-CE1 4.48Å; F388-Y424 HydrophobicContact CG-CG 4.46Å
389L91.4Very high88.3Confident8 Ų853.5 Ų53.54%0.04225%0.246CC..Iπ-helixtrans-59.1-46.9175.3-73.1167.4000112.3F362 I365 I385 L393 R394 V398F362-L389 HydrophobicContact CB-CD1 3.92Å; F362-L389 HydrophobicContact CD2-CD1 3.76Å; F362-L389 HydrophobicContact CG-CD1 4.29Å; I365-L389 HydrophobicContact CB-CD2 3.97Å; I365-L389 HydrophobicContact CG1-CD2 3.58Å; I365-L389 HydrophobicContact CG2-CD2 4.31Å; I385-L389 HydrophobicContact CG2-CD1 3.95Å; I385-L389 HydrophobicContact CG2-CG 4.36Å; I385-L389 WeakPolarHBondContact O-CB 3.25Å; I385-L389 VanDerWaalsContact O-CG 3.32Å; I385-L389 WeakPolarHBondContact O-CG 3.39Å; I385-L389 PolarHBondContact O-N 2.98Å; L389-L393 HydrophobicContact CD2-CD2 4.44Å; L389-R394 VanDerWaalsContact O-CA 3.25Å; L389-R394 WeakPolarHBondContact O-CA 3.49Å; L389-R394 PolarHBondContact O-N 2.78Å; L389-V398 HydrophobicContact CD2-CG2 3.75Å
390R86.1Confident88.5Confident150 Ų15049 Ų4957%0.56622%0.223SC*.Iπ-helixtrans-75.8-36.3-176.5-69.3179.2-171.4-156.40113.6N386 R387 F388 R394N386-R390 WeakPolarHBondContact O-CB 3.38Å; N386-R390 WeakPolarHBondContact O-CG 3.48Å; N386-R390 PolarHBondContact O-N 3.48Å; R387-R390 PolarHBondContact O-N 2.9Å; F388-R390 PolarHBondContact O-N 3.37Å; R390-R394 WeakPolarHBondContact O-CG 3.48Å
391H84.3Confident88.8Confident117 Ų11745.1 Ų45.154%0.54220%0.198SC..Iπ-helixtrans-101.6-26.4-171.1-6686.4000114.5R220 R387R220-H391 PolarHBondContact NH1-O 3.41Å; R220-H391 PolarHBondContact NH2-O 3.02Å; R387-H391 WeakPolarHBondContact O-CB 2.97Å; R387-H391 PolarHBondContact O-N 3.39Å; R387-H391 PolarHBondContact O-ND1 2.85Å; R387-H391 VanDerWaalsContact O-ND1 3.07Å
392V85.4Confident89.1Confident30 Ų3043.3 Ų43.318%0.18219%0.188CC..Iπ-helixtrans-106.2-67.4-178.2-172.50000110.5R220 F388 Y424R220-V392 PolarHBondContact NH2-O 3.2Å; F388-V392 HydrophobicContact CD2-CB 3.79Å; F388-V392 HydrophobicContact CD2-CG1 4.3Å; F388-V392 HydrophobicContact CD2-CG2 3.86Å; F388-V392 HydrophobicContact CE2-CB 4.02Å; F388-V392 HydrophobicContact CE2-CG1 4.02Å; F388-V392 HydrophobicContact CE2-CG2 4.37Å; F388-V392 WeakPolarHBondContact O-CA 3.32Å; F388-V392 WeakPolarHBondContact O-CB 2.96Å; F388-V392 PolarHBondContact O-N 3.24Å; V392-Y424 HydrophobicContact CG2-CD2 3.32Å; V392-Y424 HydrophobicContact CG2-CE2 3.68Å; V392-Y424 HydrophobicContact CG2-CG 4.1Å
393L87.1Confident89.3Confident2 Ų240 Ų401%0.0117%0.173CC..Iπ-helixtrans-71.5-47.9-172.3-91.161.1000112.3I365 F388 L389 G397 V398 L401I365-L393 HydrophobicContact CD1-CD2 3.82Å; I365-L393 HydrophobicContact CG1-CD2 4.08Å; F388-L393 HydrophobicContact CD1-CD1 4.13Å; F388-L393 HydrophobicContact CD2-CD1 4.17Å; F388-L393 HydrophobicContact CE1-CD1 3.48Å; F388-L393 VanDerWaalsContact CE1-CD1 3.48Å; F388-L393 HydrophobicContact CE1-CD2 3.94Å; F388-L393 HydrophobicContact CE1-CG 4.35Å; F388-L393 HydrophobicContact CE2-CD1 3.53Å; F388-L393 HydrophobicContact CG-CD1 4.46Å; F388-L393 HydrophobicContact CZ-CD1 3.16Å; F388-L393 HydrophobicContact CZ-CD2 4.38Å; F388-L393 HydrophobicContact CZ-CG 4.4Å; F388-L393 PolarHBondContact O-N 3.49Å; L389-L393 HydrophobicContact CD2-CD2 4.44Å; L393-G397 WeakPolarHBondContact O-CA 3.38Å; L393-G397 PolarHBondContact O-N 3.05Å; L393-V398 HydrophobicContact CB-CG2 4.22Å; L393-V398 HydrophobicContact CD2-CG2 4.14Å; L393-L401 HydrophobicContact CD2-CD1 3.55Å; L393-L401 HydrophobicContact CG-CD1 4.24Å
394R84.8Confident89.4Confident72 Ų7232.6 Ų32.627%0.27215%0.145SC..Hα-helixtrans55.4177.3-167.1-60.9-174.7179.4179.30.4111.6L389 R390 D396 G397 V398L389-R394 VanDerWaalsContact O-CA 3.25Å; L389-R394 WeakPolarHBondContact O-CA 3.49Å; L389-R394 PolarHBondContact O-N 2.78Å; R390-R394 WeakPolarHBondContact O-CG 3.48Å; R394-D396 PolarHBondContact O-N 3.46Å; R394-G397 PolarHBondContact O-N 2.77Å; R394-V398 WeakPolarHBondContact O-CG2 3.44Å; R394-V398 PolarHBondContact O-N 2.83Å
395P86Confident89.5Confident29 Ų2931.4 Ų31.419%0.18814%0.14CC..Hα-helixtrans-56.3-36176.2-28.437.8000113.2A240 V398 F399A240-P395 HydrophobicContact CB-CB 3.96Å; A240-P395 HydrophobicContact CB-CG 4.21Å; P395-V398 PolarHBondContact O-N 3.35Å; P395-F399 WeakPolarHBondContact O-CB 3.46Å; P395-F399 PolarHBondContact O-N 3.1Å
396D86.2Confident89.5Confident9 Ų935 Ų355%0.04816%0.163CC..Hα-helixtrans-64.5-41.7179.5-75-18.7000113.3L216 G239 A240 Y241 V242 T243 R394 F399 L400L216-D396 HydrophobicContact CD2-CB 4.42Å; G239-D396 VanDerWaalsContact O-OD2 3.13Å; A240-D396 VanDerWaalsContact CA-CG 3.5Å; A240-D396 WeakPolarHBondContact CA-OD1 3.32Å; A240-D396 WeakPolarHBondContact CA-OD2 3.5Å; Y241-D396 PolarHBondContact N-OD1 2.69Å; Y241-D396 PolarHBondContact N-OD2 3.15Å; V242-D396 PolarHBondContact N-OD1 3Å; V242-D396 PolarHBondContact N-OD2 3.23Å; T243-D396 WeakPolarHBondContact CB-OD1 3.1Å; T243-D396 PolarHBondContact N-OD1 3.05Å; T243-D396 WeakPolarHBondContact OG1-CA 3.26Å; T243-D396 PolarHBondContact OG1-OD1 3.47Å; R394-D396 PolarHBondContact O-N 3.46Å; D396-F399 WeakPolarHBondContact O-CB 3.43Å; D396-F399 PolarHBondContact O-N 2.99Å; D396-L400 WeakPolarHBondContact O-CB 3.11Å; D396-L400 PolarHBondContact O-N 3.07Å
397G88.7Confident89.3Confident1 Ų134.1 Ų34.11%0.0116%0.158CC..Hα-helixtrans-69.5-37.617600000112.5L393 R394 L400 L401L393-G397 WeakPolarHBondContact O-CA 3.38Å; L393-G397 PolarHBondContact O-N 3.05Å; R394-G397 PolarHBondContact O-N 2.77Å; G397-L400 PolarHBondContact O-N 2.81Å; G397-L401 WeakPolarHBondContact O-CB 2.97Å; G397-L401 WeakPolarHBondContact O-CG 3.08Å; G397-L401 PolarHBondContact O-N 3.19Å
398V92.3Very high89.2Confident2 Ų229.3 Ų29.31%0.01215%0.145CC..Hα-helixtrans-66-40.9173.8178.90000110.8Q361 F364 I365 L389 L393 R394 P395 L401 R402Q361-V398 HydrophobicContact CB-CG1 4.11Å; Q361-V398 HydrophobicContact CB-CG2 4.36Å; Q361-V398 HydrophobicContact CG-CG1 4.02Å; F364-V398 HydrophobicContact CD1-CG1 4.14Å; I365-V398 HydrophobicContact CG1-CG2 4.25Å; L389-V398 HydrophobicContact CD2-CG2 3.75Å; L393-V398 HydrophobicContact CB-CG2 4.22Å; L393-V398 HydrophobicContact CD2-CG2 4.14Å; R394-V398 WeakPolarHBondContact O-CG2 3.44Å; R394-V398 PolarHBondContact O-N 2.83Å; P395-V398 PolarHBondContact O-N 3.35Å; V398-L401 PolarHBondContact O-N 3.28Å; V398-R402 WeakPolarHBondContact O-CG 3.45Å; V398-R402 PolarHBondContact O-N 3.45Å
399F90.7Very high89.1Confident6 Ų630.7 Ų30.73%0.02616%0.16CC..Hα-helixtrans-58.4-50.8174168.2-102.9000111.3V242 T243 Y246 W351 P395 D396 L401 R402 I403V242-F399 HydrophobicContact CG1-CD1 4.17Å; V242-F399 HydrophobicContact CG1-CE1 4.01Å; T243-F399 HydrophobicContact CG2-CB 4.15Å; T243-F399 HydrophobicContact CG2-CD2 4.24Å; T243-F399 HydrophobicContact CG2-CG 4.21Å; T243-F399 WeakPolarHBondContact OG1-CB 3.47Å; Y246-F399 HydrophobicContact CD1-CD2 4.21Å; Y246-F399 AromaticContact CD1-CE2 3.22Å; Y246-F399 HydrophobicContact CD1-CE2 3.22Å; Y246-F399 AromaticContact CD1-CZ 3.52Å; Y246-F399 HydrophobicContact CD1-CZ 3.52Å; Y246-F399 HydrophobicContact CD2-CE2 4.29Å; Y246-F399 AromaticContact CD2-CZ 3.74Å; Y246-F399 HydrophobicContact CD2-CZ 3.74Å; Y246-F399 AromaticContact CE1-CE2 3.39Å; Y246-F399 HydrophobicContact CE1-CE2 3.39Å; Y246-F399 AromaticContact CE1-CZ 3.84Å; Y246-F399 HydrophobicContact CE1-CZ 3.84Å; Y246-F399 HydrophobicContact CE2-CE2 4.46Å; Y246-F399 HydrophobicContact CE2-CZ 4.1Å; Y246-F399 HydrophobicContact CG-CE1 4.39Å; Y246-F399 AromaticContact CG-CE2 3.69Å; Y246-F399 HydrophobicContact CG-CE2 3.69Å; Y246-F399 AromaticContact CG-CZ 3.43Å; Y246-F399 HydrophobicContact CG-CZ 3.43Å; Y246-F399 VanDerWaalsContact CG-CZ 3.43Å; W351-F399 HydrophobicContact CE3-CD2 4.17Å; W351-F399 HydrophobicContact CE3-CE2 4.22Å; W351-F399 HydrophobicContact CH2-CD2 4.15Å; W351-F399 AromaticContact CH2-CE2 3.94Å; W351-F399 HydrophobicContact CH2-CE2 3.94Å; W351-F399 AromaticContact CZ3-CD2 3.53Å; W351-F399 HydrophobicContact CZ3-CD2 3.53Å; W351-F399 AromaticContact CZ3-CE2 3.67Å; W351-F399 HydrophobicContact CZ3-CE2 3.67Å; P395-F399 WeakPolarHBondContact O-CB 3.46Å; P395-F399 PolarHBondContact O-N 3.1Å; D396-F399 WeakPolarHBondContact O-CB 3.43Å; D396-F399 PolarHBondContact O-N 2.99Å; F399-L401 VanDerWaalsContact C-N 3.34Å; F399-L401 PolarHBondContact O-N 3.2Å; F399-R402 WeakPolarHBondContact O-CB 3.32Å; F399-R402 PolarHBondContact O-N 3.46Å; F399-R402 VanDerWaalsContact O-N 3.1Å; F399-I403 HydrophobicContact CD2-CG1 4.36Å; F399-I403 HydrophobicContact CE1-CG1 4.15Å; F399-I403 HydrophobicContact CE2-CD1 3.95Å; F399-I403 HydrophobicContact CE2-CG1 3.75Å; F399-I403 HydrophobicContact CZ-CD1 4.03Å; F399-I403 HydrophobicContact CZ-CG1 3.63Å; F399-I403 PolarHBondContact O-N 2.79Å
400L89.9Confident89.2Confident11 Ų1134.4 Ų34.46%0.05818%0.179CC..Hα-helixtrans-58.3-45.2178.6-179.261.6000112V183 I186 I212 D396 G397 R402 I403 I404V183-L400 HydrophobicContact CG1-CD1 3.89Å; I186-L400 HydrophobicContact CB-CD1 4.41Å; I186-L400 HydrophobicContact CD1-CD2 3.98Å; I186-L400 HydrophobicContact CG2-CD1 4.14Å; I186-L400 HydrophobicContact CG2-CD2 4.2Å; I186-L400 HydrophobicContact CG2-CG 4.43Å; I212-L400 HydrophobicContact CG1-CD2 4.17Å; I212-L400 HydrophobicContact CG2-CD2 4.09Å; D396-L400 WeakPolarHBondContact O-CB 3.11Å; D396-L400 PolarHBondContact O-N 3.07Å; G397-L400 PolarHBondContact O-N 2.81Å; L400-R402 VanDerWaalsContact C-N 3.31Å; L400-R402 PolarHBondContact O-N 2.89Å; L400-I403 PolarHBondContact O-N 3.18Å; L400-I404 HydrophobicContact CD1-CD1 4.36Å; L400-I404 HydrophobicContact CG-CD1 4.07Å; L400-I404 VanDerWaalsContact O-CG1 3.31Å; L400-I404 WeakPolarHBondContact O-CG1 3.43Å; L400-I404 PolarHBondContact O-N 3.31Å
401L92.5Very high89.4Confident1 Ų132.6 Ų32.61%0.00518%0.18CC..Hα-helixtrans-65.2-32.4176.9-72.5167.9000112.8F364 I365 L393 G397 V398 F399 I404 A405 V417 L420F364-L401 HydrophobicContact CE1-CB 4.25Å; I365-L401 HydrophobicContact CD1-CD1 3.88Å; L393-L401 HydrophobicContact CD2-CD1 3.55Å; L393-L401 HydrophobicContact CG-CD1 4.24Å; G397-L401 WeakPolarHBondContact O-CB 2.97Å; G397-L401 WeakPolarHBondContact O-CG 3.08Å; G397-L401 PolarHBondContact O-N 3.19Å; V398-L401 PolarHBondContact O-N 3.28Å; F399-L401 VanDerWaalsContact C-N 3.34Å; F399-L401 PolarHBondContact O-N 3.2Å; L401-I404 PolarHBondContact O-N 3.37Å; L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.39Å; L401-V417 HydrophobicContact CD1-CG2 3.98Å; L401-V417 HydrophobicContact CD2-CG2 4.11Å; L401-L420 HydrophobicContact CD1-CD1 4.4Å; L401-L420 HydrophobicContact CD2-CD1 4.34Å
402R93.3Very high89.8Confident25 Ų2527.2 Ų27.29%0.09416%0.155CC..Hα-helixtrans-65.6-43.4172.7-75.7174.4-179.5-85.46.4111.9W351 V354 S360 F364 V398 F399 L400 I404 A405 T406W351-R402 HydrophobicContact CH2-CB 4.26Å; V354-R402 VanDerWaalsContact CG1-NE 3.33Å; S360-R402 PolarHBondContact O-NH2 3.44Å; S360-R402 VanDerWaalsContact O-NH2 3.11Å; S360-R402 PolarHBondContact OG-NH2 2.92Å; F364-R402 HydrophobicContact CD1-CG 3.98Å; F364-R402 HydrophobicContact CD2-CG 4.19Å; F364-R402 HydrophobicContact CE1-CG 3.51Å; F364-R402 HydrophobicContact CE2-CG 3.73Å; F364-R402 HydrophobicContact CG-CG 4.3Å; F364-R402 HydrophobicContact CZ-CB 4.14Å; F364-R402 HydrophobicContact CZ-CG 3.36Å; V398-R402 WeakPolarHBondContact O-CG 3.45Å; V398-R402 PolarHBondContact O-N 3.45Å; F399-R402 WeakPolarHBondContact O-CB 3.32Å; F399-R402 PolarHBondContact O-N 3.46Å; F399-R402 VanDerWaalsContact O-N 3.1Å; L400-R402 VanDerWaalsContact C-N 3.31Å; L400-R402 PolarHBondContact O-N 2.89Å; R402-I404 VanDerWaalsContact C-N 3.33Å; R402-A405 WeakPolarHBondContact O-CB 3.43Å; R402-A405 PolarHBondContact O-N 3.48Å; R402-T406 PolarHBondContact O-N 2.82Å; R402-T406 VanDerWaalsContact O-N 3.1Å; R402-T406 PolarHBondContact O-OG1 2.89Å
403I91.1Very high90.2Very high0 Ų025.8 Ų25.80%015%0.147CC..Hα-helixtrans-65.4-37.4176.3-64.6-63.2000111.4D16 W351 F399 L400 T406 N407D16-I403 WeakPolarHBondContact O-CG2 3.44Å; W351-I403 HydrophobicContact CH2-CD1 3.69Å; W351-I403 HydrophobicContact CH2-CG1 4.34Å; W351-I403 HydrophobicContact CZ2-CD1 3.91Å; F399-I403 HydrophobicContact CD2-CG1 4.36Å; F399-I403 HydrophobicContact CE1-CG1 4.15Å; F399-I403 HydrophobicContact CE2-CD1 3.95Å; F399-I403 HydrophobicContact CE2-CG1 3.75Å; F399-I403 HydrophobicContact CZ-CD1 4.03Å; F399-I403 HydrophobicContact CZ-CG1 3.63Å; F399-I403 PolarHBondContact O-N 2.79Å; L400-I403 PolarHBondContact O-N 3.18Å; I403-T406 PolarHBondContact O-OG1 3.15Å; I403-N407 WeakPolarHBondContact O-CB 3.37Å; I403-N407 PolarHBondContact O-N 2.94Å; I403-N407 PolarHBondContact O-ND2 2.88Å
404I91.9Very high90.5Very high1 Ų126.7 Ų26.71%0.00515%0.152CC..Hα-helixtrans-65.5-43.7173.6-66.7165.9000110.2I186 A190 I212 L400 L401 R402 T406 N407 A408 L416I186-I404 HydrophobicContact CG2-CD1 3.97Å; A190-I404 HydrophobicContact CB-CD1 4.34Å; A190-I404 HydrophobicContact CB-CG1 4.18Å; A190-I404 HydrophobicContact CB-CG2 3.72Å; I212-I404 HydrophobicContact CD1-CD1 3.97Å; L400-I404 HydrophobicContact CD1-CD1 4.36Å; L400-I404 HydrophobicContact CG-CD1 4.07Å; L400-I404 VanDerWaalsContact O-CG1 3.31Å; L400-I404 WeakPolarHBondContact O-CG1 3.43Å; L400-I404 PolarHBondContact O-N 3.31Å; L401-I404 PolarHBondContact O-N 3.37Å; R402-I404 VanDerWaalsContact C-N 3.33Å; I404-T406 VanDerWaalsContact C-N 3.3Å; I404-T406 PolarHBondContact O-N 3.3Å; I404-N407 PolarHBondContact O-N 2.71Å; I404-A408 HydrophobicContact CG2-CB 4.05Å; I404-A408 WeakPolarHBondContact O-CB 3.38Å; I404-A408 PolarHBondContact O-N 2.76Å; I404-L416 HydrophobicContact CD1-CD1 4.4Å; I404-L416 HydrophobicContact CG2-CD1 3.93Å
405A93Very high90.9Very high12 Ų1225.5 Ų25.510%0.09915%0.151CC..Hα-helixtrans-58.4-40.7177.900000112.9F364 Y368 L401 R402 G409 T413F364-A405 HydrophobicContact CZ-CB 4.23Å; Y368-A405 WeakPolarHBondContact OH-CB 3.48Å; L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.39Å; R402-A405 WeakPolarHBondContact O-CB 3.43Å; R402-A405 PolarHBondContact O-N 3.48Å; A405-G409 CarbonylContact O-C 3.52Å; A405-G409 VanDerWaalsContact O-CA 3.26Å; A405-G409 WeakPolarHBondContact O-CA 3.43Å; A405-G409 PolarHBondContact O-N 3.47Å; A405-T413 WeakPolarHBondContact CA-OG1 3.37Å; A405-T413 HydrophobicContact CB-CG2 4.05Å; A405-T413 PolarHBondContact N-OG1 3.17Å
406T90.2Very high91.2Very high83 Ų8324.2 Ų24.251%0.50914%0.142SC..Hα-helixtrans-72.4-26.9179.452.30000113.6R402 I403 I404R402-T406 PolarHBondContact O-N 2.82Å; R402-T406 VanDerWaalsContact O-N 3.1Å; R402-T406 PolarHBondContact O-OG1 2.89Å; I403-T406 PolarHBondContact O-OG1 3.15Å; I404-T406 VanDerWaalsContact C-N 3.3Å; I404-T406 PolarHBondContact O-N 3.3Å
407N87.7Confident91.6Very high32 Ų3223.8 Ų23.817%0.17114%0.14CC..Hα-helixtrans-105.3-39.7-172.9-72.6-71.6000114N15 D17 R22 M191 I403 I404N15-N407 PolarHBondContact O-ND2 3.23Å; D17-N407 PolarHBondContact O-ND2 2.03Å; R22-N407 PolarHBondContact NH2-OD1 3.42Å; M191-N407 HydrophobicContact CG-CB 4.3Å; M191-N407 HydrophobicContact SD-CB 3.95Å; I403-N407 WeakPolarHBondContact O-CB 3.37Å; I403-N407 PolarHBondContact O-N 2.94Å; I403-N407 PolarHBondContact O-ND2 2.88Å; I404-N407 PolarHBondContact O-N 2.71Å
408A89.1Confident91.9Very high23 Ų2326.1 Ų26.119%0.1915%0.151CC..Hα-helixtrans-98.8-10.8178.600000113.5A190 M191 I404 V412A190-A408 HydrophobicContact CB-CB 4.45Å; M191-A408 HydrophobicContact CB-CB 4.44Å; M191-A408 HydrophobicContact CG-CB 3.92Å; I404-A408 HydrophobicContact CG2-CB 4.05Å; I404-A408 WeakPolarHBondContact O-CB 3.38Å; I404-A408 PolarHBondContact O-N 2.76Å; A408-V412 HydrophobicContact CB-CB 4.31Å; A408-V412 HydrophobicContact CB-CG1 4.46Å; A408-V412 HydrophobicContact CB-CG2 4.49Å
409G90.4Very high91.9Very high31 Ų3128.5 Ų28.532%0.3216%0.162SC..  trans89.3170-179.600000114.9A405 I411 T413A405-G409 CarbonylContact O-C 3.52Å; A405-G409 VanDerWaalsContact O-CA 3.26Å; A405-G409 WeakPolarHBondContact O-CA 3.43Å; A405-G409 PolarHBondContact O-N 3.47Å; G409-I411 PolarHBondContact O-N 3.11Å; G409-T413 PolarHBondContact O-N 2.84Å; G409-T413 PolarHBondContact O-OG1 3.11Å
410D91.8Very high92Very high85 Ų8528.6 Ų28.646%0.45516%0.163SC..Hα-helixtrans-70.9-30.7-172.9-75.8-31.2000113R367 Y368 T413 T414R367-D410 IonicContact NH2-OD1 2.73Å; R367-D410 PolarHBondContact NH2-OD1 2.96Å; R367-D410 IonicContact NH2-OD2 3.93Å; Y368-D410 HydrophobicContact CE1-CB 4.3Å; Y368-D410 PolarHBondContact OH-OD1 2.92Å; D410-T413 PolarHBondContact O-N 3.41Å; D410-T414 WeakPolarHBondContact O-CB 3.45Å; D410-T414 PolarHBondContact O-N 2.82Å; D410-T414 PolarHBondContact O-OG1 2.9Å
411I91Very high92.1Very high112 Ų11228.4 Ų28.457%0.57416%0.161SC*.Hα-helixtrans-64.2-54.2-177.3-60.7173.2000110.4G409 T413 T414 D415G409-I411 PolarHBondContact O-N 3.11Å; I411-T413 VanDerWaalsContact C-N 3.26Å; I411-T413 PolarHBondContact O-N 3.49Å; I411-T414 WeakPolarHBondContact O-CB 3.38Å; I411-T414 PolarHBondContact O-N 2.05Å; I411-T414 VanDerWaalsContact O-N 3.14Å; I411-D415 PolarHBondContact O-N 3.43Å; I411-D415 VanDerWaalsContact O-N 3.12Å
412V92.2Very high92.1Very high5 Ų530.6 Ų30.63%0.0317%0.171CC..Hα-helixtrans-61.5-39179.1-175.90000111A408 T414 D415 L416A408-V412 HydrophobicContact CB-CB 4.31Å; A408-V412 HydrophobicContact CB-CG1 4.46Å; A408-V412 HydrophobicContact CB-CG2 4.49Å; V412-T414 VanDerWaalsContact C-N 3.32Å; V412-T414 PolarHBondContact O-N 2.82Å; V412-D415 PolarHBondContact O-N 3.46Å; V412-L416 HydrophobicContact CG1-CD1 3.99Å; V412-L416 HydrophobicContact CG1-CG 4.39Å; V412-L416 WeakPolarHBondContact O-CB 3.4Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.21Å; V412-L416 PolarHBondContact O-N 3.47Å
413T93.3Very high91.9Very high0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-65.3-38178.5-550000111.4Y368 A405 G409 D410 I411 L416 V417Y368-T413 HydrophobicContact CD2-CG2 4.5Å; Y368-T413 HydrophobicContact CE1-CG2 4.06Å; Y368-T413 HydrophobicContact CE2-CG2 4.05Å; A405-T413 WeakPolarHBondContact CA-OG1 3.37Å; A405-T413 HydrophobicContact CB-CG2 4.05Å; A405-T413 PolarHBondContact N-OG1 3.17Å; G409-T413 PolarHBondContact O-N 2.84Å; G409-T413 PolarHBondContact O-OG1 3.11Å; D410-T413 PolarHBondContact O-N 3.41Å; I411-T413 VanDerWaalsContact C-N 3.26Å; I411-T413 PolarHBondContact O-N 3.49Å; T413-L416 PolarHBondContact O-N 2.8Å; T413-V417 HydrophobicContact CG2-CG2 4.25Å; T413-V417 WeakPolarHBondContact O-CB 3.48Å; T413-V417 VanDerWaalsContact O-CG2 3.23Å; T413-V417 WeakPolarHBondContact O-CG2 3.43Å; T413-V417 PolarHBondContact O-N 3.27Å
414T93.9Very high91.8Very high20 Ų2031.5 Ų31.512%0.12318%0.176CC..Hα-helixtrans-61.7-48.9175.4-540000110.7Y368 V371 D410 I411 V412 L416 V417 H418Y368-T414 VanDerWaalsContact CD1-OG1 3.31Å; Y368-T414 WeakPolarHBondContact CD1-OG1 3.4Å; V371-T414 HydrophobicContact CG1-CG2 4.32Å; D410-T414 WeakPolarHBondContact O-CB 3.45Å; D410-T414 PolarHBondContact O-N 2.82Å; D410-T414 PolarHBondContact O-OG1 2.9Å; I411-T414 WeakPolarHBondContact O-CB 3.38Å; I411-T414 PolarHBondContact O-N 2.05Å; I411-T414 VanDerWaalsContact O-N 3.14Å; V412-T414 VanDerWaalsContact C-N 3.32Å; V412-T414 PolarHBondContact O-N 2.82Å; T414-L416 VanDerWaalsContact C-N 3.34Å; T414-L416 PolarHBondContact O-N 2.89Å; T414-V417 PolarHBondContact O-N 2.99Å; T414-H418 WeakPolarHBondContact O-CB 3.45Å; T414-H418 PolarHBondContact O-N 2.85Å
415D93.3Very high91.7Very high48 Ų4835.6 Ų35.626%0.25719%0.191SC..Hα-helixtrans-60.3-42.9177.9-68.5-7.1000111R201 V205 I411 V412 H418 E419R201-D415 IonicContact CZ-OD2 3.06Å; R201-D415 IonicContact NE-OD2 3.26Å; R201-D415 PolarHBondContact NE-OD2 3.38Å; R201-D415 IonicContact NH2-OD2 2.69Å; R201-D415 PolarHBondContact NH2-OD2 3.4Å; V205-D415 HydrophobicContact CG1-CB 3.91Å; V205-D415 HydrophobicContact CG2-CB 4.05Å; I411-D415 PolarHBondContact O-N 3.43Å; I411-D415 VanDerWaalsContact O-N 3.12Å; V412-D415 PolarHBondContact O-N 3.46Å; D415-H418 PolarHBondContact O-N 3.38Å; D415-E419 WeakPolarHBondContact O-CG 3.36Å; D415-E419 PolarHBondContact O-N 3.09Å
416L93.5Very high91.5Very high1 Ų140.5 Ų40.51%0.00521%0.212CC..Hα-helixtrans-66-43.5177.4-74.9170.4000113A190 V205 V208 A209 I212 I404 V412 T413 T414 H418 E419 L420A190-L416 HydrophobicContact CB-CD1 4.27Å; V205-L416 HydrophobicContact CG1-CD2 3.78Å; V205-L416 HydrophobicContact CG1-CG 4.12Å; V208-L416 HydrophobicContact CB-CD2 3.93Å; V208-L416 HydrophobicContact CG1-CD1 4.38Å; V208-L416 HydrophobicContact CG1-CD2 3.71Å; A209-L416 HydrophobicContact CB-CD2 4.23Å; I212-L416 HydrophobicContact CD1-CD2 4.38Å; I404-L416 HydrophobicContact CD1-CD1 4.4Å; I404-L416 HydrophobicContact CG2-CD1 3.93Å; V412-L416 HydrophobicContact CG1-CD1 3.99Å; V412-L416 HydrophobicContact CG1-CG 4.39Å; V412-L416 WeakPolarHBondContact O-CB 3.4Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.21Å; V412-L416 PolarHBondContact O-N 3.47Å; T413-L416 PolarHBondContact O-N 2.8Å; T414-L416 VanDerWaalsContact C-N 3.34Å; T414-L416 PolarHBondContact O-N 2.89Å; L416-H418 VanDerWaalsContact C-N 3.33Å; L416-E419 PolarHBondContact O-N 3.05Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 VanDerWaalsContact O-CG 3.28Å; L416-L420 WeakPolarHBondContact O-CG 3.25Å; L416-L420 PolarHBondContact O-N 2.85Å
417V94.2Very high91.2Very high1 Ų142.5 Ų42.51%0.00621%0.214CC..Hα-helixtrans-64.5-41.6177.71700000110.3I365 Y368 L369 L401 T413 T414 L420 W421I365-V417 HydrophobicContact CD1-CG2 4.35Å; I365-V417 HydrophobicContact CG2-CG1 4.41Å; Y368-V417 HydrophobicContact CD2-CG2 4.43Å; Y368-V417 HydrophobicContact CG-CG2 4.46Å; L369-V417 HydrophobicContact CD2-CG1 3.72Å; L369-V417 HydrophobicContact CG-CG1 3.91Å; L401-V417 HydrophobicContact CD1-CG2 3.98Å; L401-V417 HydrophobicContact CD2-CG2 4.11Å; T413-V417 HydrophobicContact CG2-CG2 4.25Å; T413-V417 WeakPolarHBondContact O-CB 3.48Å; T413-V417 VanDerWaalsContact O-CG2 3.23Å; T413-V417 WeakPolarHBondContact O-CG2 3.43Å; T413-V417 PolarHBondContact O-N 3.27Å; T414-V417 PolarHBondContact O-N 2.99Å; V417-L420 PolarHBondContact O-N 2.91Å; V417-W421 VanDerWaalsContact O-CB 3.23Å; V417-W421 WeakPolarHBondContact O-CB 3.16Å; V417-W421 PolarHBondContact O-N 2.96Å
418H93.7Very high91Very high49 Ų4945.9 Ų45.923%0.22723%0.229CC..Hα-helixtrans-60.4-50.6175.3174.2-98.3000111.6D373 T414 D415 L416 L420 W421 Q422D373-H418 IonicContact OD1-CD2 2.84Å; D373-H418 PolarHBondContact OD1-CD2 2.85Å; D373-H418 IonicContact OD1-NE2 3.43Å; D373-H418 PolarHBondContact OD1-NE2 3.22Å; T414-H418 WeakPolarHBondContact O-CB 3.45Å; T414-H418 PolarHBondContact O-N 2.85Å; D415-H418 PolarHBondContact O-N 3.38Å; L416-H418 VanDerWaalsContact C-N 3.33Å; H418-L420 PolarHBondContact O-N 2.94Å; H418-W421 WeakPolarHBondContact O-CB 3.48Å; H418-W421 PolarHBondContact O-N 3.49Å; H418-W421 VanDerWaalsContact O-N 3.11Å; H418-Q422 PolarHBondContact NE2-NE2 3.24Å; H418-Q422 WeakPolarHBondContact O-CG 3.1Å; H418-Q422 PolarHBondContact O-N 3.02Å
419E92.2Very high90.7Very high53 Ų5352.3 Ų52.325%0.24825%0.248CC..Hα-helixtrans-59.3-45.7177.7-77.2-61.8126.800112.6V205 H206 A209 D415 L416 W421 Q422 Q423V205-E419 HydrophobicContact CG1-CB 4.34Å; V205-E419 HydrophobicContact CG1-CG 3.68Å; H206-E419 IonicContact ND1-OE2 3.38Å; H206-E419 PolarHBondContact ND1-OE2 2.99Å; A209-E419 HydrophobicContact CB-CB 3.95Å; D415-E419 WeakPolarHBondContact O-CG 3.36Å; D415-E419 PolarHBondContact O-N 3.09Å; L416-E419 PolarHBondContact O-N 3.05Å; E419-W421 PolarHBondContact O-N 2.94Å; E419-Q422 PolarHBondContact O-N 3.49Å; E419-Q423 WeakPolarHBondContact O-CG 3.24Å; E419-Q423 PolarHBondContact O-N 2.73Å
420L92.9Very high90.1Very high7 Ų759.8 Ų59.84%0.03727%0.268CS..Hα-helixtrans-61.9-34.6176.6-72.6171.4000112.2A209 I212 R213 F388 L401 L416 V417 H418 Y424A209-L420 HydrophobicContact CB-CD2 4.13Å; A209-L420 HydrophobicContact CB-CG 4.2Å; A209-L420 WeakPolarHBondContact O-CD2 3.33Å; I212-L420 HydrophobicContact CG2-CD1 4.18Å; I212-L420 HydrophobicContact CG2-CD2 4.41Å; R213-L420 HydrophobicContact CB-CD2 4.34Å; F388-L420 HydrophobicContact CZ-CB 4.11Å; L401-L420 HydrophobicContact CD1-CD1 4.4Å; L401-L420 HydrophobicContact CD2-CD1 4.34Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 VanDerWaalsContact O-CG 3.28Å; L416-L420 WeakPolarHBondContact O-CG 3.25Å; L416-L420 PolarHBondContact O-N 2.85Å; V417-L420 PolarHBondContact O-N 2.91Å; H418-L420 PolarHBondContact O-N 2.94Å; L420-Y424 PolarHBondContact O-N 3.32Å
421W93.1Very high89.2Confident7 Ų760.5 Ų60.53%0.02728%0.277CS..Hα-helixtrans-72.4-43.4177.7176.1-109.3000112.5L369 D373 I375 L384 I385 F388 V417 H418 E419 Y424 R425L369-W421 HydrophobicContact CD1-CD2 4.11Å; L369-W421 HydrophobicContact CD1-CE3 4.04Å; L369-W421 HydrophobicContact CD1-CZ3 4.31Å; L369-W421 HydrophobicContact CD2-CB 3.71Å; L369-W421 HydrophobicContact CD2-CD2 4.02Å; L369-W421 HydrophobicContact CD2-CG 3.6Å; D373-W421 PolarHBondContact OD2-NE1 2.85Å; D373-W421 VanDerWaalsContact OD2-NE1 3.09Å; I375-W421 HydrophobicContact CD1-CZ2 3.9Å; L384-W421 HydrophobicContact CB-CH2 4.25Å; L384-W421 HydrophobicContact CD2-CH2 3.72Å; L384-W421 HydrophobicContact CD2-CZ2 3.87Å; L384-W421 HydrophobicContact CG-CH2 3.68Å; L384-W421 HydrophobicContact CG-CZ2 4.35Å; L384-W421 HydrophobicContact CG-CZ3 4.47Å; I385-W421 HydrophobicContact CG1-CH2 3.75Å; I385-W421 HydrophobicContact CG1-CZ2 4.46Å; I385-W421 HydrophobicContact CG1-CZ3 4.13Å; F388-W421 HydrophobicContact CB-CE3 4.02Å; F388-W421 HydrophobicContact CB-CZ3 3.56Å; F388-W421 AromaticContact CD1-CE3 3.63Å; F388-W421 HydrophobicContact CD1-CE3 3.63Å; F388-W421 AromaticContact CD1-CZ3 3.88Å; F388-W421 HydrophobicContact CD1-CZ3 3.88Å; F388-W421 HydrophobicContact CD2-CE3 4.02Å; F388-W421 HydrophobicContact CD2-CZ3 4.4Å; F388-W421 AromaticContact CE1-CE3 3.95Å; F388-W421 HydrophobicContact CE1-CE3 3.95Å; F388-W421 HydrophobicContact CE2-CE3 4.31Å; F388-W421 AromaticContact CG-CE3 3.64Å; F388-W421 HydrophobicContact CG-CE3 3.64Å; F388-W421 AromaticContact CG-CZ3 3.73Å; F388-W421 HydrophobicContact CG-CZ3 3.73Å; F388-W421 HydrophobicContact CZ-CB 4.35Å; F388-W421 HydrophobicContact CZ-CE3 4.25Å; V417-W421 VanDerWaalsContact O-CB 3.23Å; V417-W421 WeakPolarHBondContact O-CB 3.16Å; V417-W421 PolarHBondContact O-N 2.96Å; H418-W421 WeakPolarHBondContact O-CB 3.48Å; H418-W421 PolarHBondContact O-N 3.49Å; H418-W421 VanDerWaalsContact O-N 3.11Å; E419-W421 PolarHBondContact O-N 2.94Å; W421-Y424 HydrophobicContact CE3-CD1 4.18Å; W421-Y424 HydrophobicContact CZ3-CD1 4.14Å; W421-Y424 HydrophobicContact CZ3-CE1 4.35Å; W421-Y424 WeakPolarHBondContact O-CB 3.48Å; W421-Y424 PolarHBondContact O-N 3.07Å; W421-R425 HydrophobicContact CD2-CG 4.46Å; W421-R425 HydrophobicContact CZ2-CG 4.45Å; W421-R425 WeakPolarHBondContact O-CG 3.5Å; W421-R425 PolarHBondContact O-N 3.04Å
422Q91.6Very high87.9Confident48 Ų4860.8 Ų60.822%0.22429%0.285CS..Hα-helixtrans-60.6-47.6175.2-67.2-59.7-13.100111.1D373 H418 E419 Y424 R425 E426D373-Q422 PolarHBondContact OD1-NE2 3.43Å; H418-Q422 PolarHBondContact NE2-NE2 3.24Å; H418-Q422 WeakPolarHBondContact O-CG 3.1Å; H418-Q422 PolarHBondContact O-N 3.02Å; E419-Q422 PolarHBondContact O-N 3.49Å; Q422-Y424 PolarHBondContact O-N 2.96Å; Q422-R425 PolarHBondContact O-N 3.34Å; Q422-E426 WeakPolarHBondContact O-CG 3.37Å; Q422-E426 PolarHBondContact O-N 3.09Å
423Q89.2Confident86.2Confident28 Ų2865.5 Ų65.513%0.13132%0.315CS..Hα-helixtrans-56.6-37.7175.2-70.5-175.516.100112.3E419 K427E419-Q423 WeakPolarHBondContact O-CG 3.24Å; E419-Q423 PolarHBondContact O-N 2.73Å; Q423-K427 WeakPolarHBondContact O-CB 3.48Å; Q423-K427 PolarHBondContact O-N 2.68Å
424Y90.2Very high84.3Confident16 Ų1671.3 Ų71.36%0.06335%0.353CS..Hα-helixtrans-68.3-44175.2172.7-110.3000112.4L384 F388 V392 L420 W421 Q422 K427 Q428L384-Y424 HydrophobicContact CD1-CE1 3.99Å; L384-Y424 HydrophobicContact CG-CE1 4.35Å; F388-Y424 HydrophobicContact CB-CD1 3.96Å; F388-Y424 HydrophobicContact CB-CE1 3.79Å; F388-Y424 AromaticContact CD2-CD1 3.63Å; F388-Y424 HydrophobicContact CD2-CD1 3.63Å; F388-Y424 HydrophobicContact CD2-CD2 4.12Å; F388-Y424 HydrophobicContact CD2-CE1 4.27Å; F388-Y424 AromaticContact CD2-CG 3.53Å; F388-Y424 HydrophobicContact CD2-CG 3.53Å; F388-Y424 HydrophobicContact CE2-CD1 4.47Å; F388-Y424 HydrophobicContact CE2-CG 4.14Å; F388-Y424 HydrophobicContact CG-CD1 4.16Å; F388-Y424 HydrophobicContact CG-CE1 4.48Å; F388-Y424 HydrophobicContact CG-CG 4.46Å; V392-Y424 HydrophobicContact CG2-CD2 3.32Å; V392-Y424 HydrophobicContact CG2-CE2 3.68Å; V392-Y424 HydrophobicContact CG2-CG 4.1Å; L420-Y424 PolarHBondContact O-N 3.32Å; W421-Y424 HydrophobicContact CE3-CD1 4.18Å; W421-Y424 HydrophobicContact CZ3-CD1 4.14Å; W421-Y424 HydrophobicContact CZ3-CE1 4.35Å; W421-Y424 WeakPolarHBondContact O-CB 3.48Å; W421-Y424 PolarHBondContact O-N 3.07Å; Q422-Y424 PolarHBondContact O-N 2.96Å; Y424-K427 PolarHBondContact O-N 3.35Å; Y424-Q428 HydrophobicContact CD2-CG 4.37Å; Y424-Q428 HydrophobicContact CE1-CG 4.13Å; Y424-Q428 HydrophobicContact CE2-CG 3.98Å; Y424-Q428 WeakPolarHBondContact O-CG 3.45Å; Y424-Q428 PolarHBondContact O-N 2.98Å
425R88.6Confident82.3Confident86 Ų8678.7 Ų78.733%0.32539%0.388SS..Hα-helixtrans-63.8-41.2178.4-71.7-169.673.3-171.67.5112.1W421 Q422 Q428 R429W421-R425 HydrophobicContact CD2-CG 4.46Å; W421-R425 HydrophobicContact CZ2-CG 4.45Å; W421-R425 WeakPolarHBondContact O-CG 3.5Å; W421-R425 PolarHBondContact O-N 3.04Å; Q422-R425 PolarHBondContact O-N 3.34Å; R425-Q428 PolarHBondContact O-N 2.88Å; R425-R429 PolarHBondContact O-N 3.13Å
426E88.4Confident80.3Confident115 Ų11583.8 Ų83.854%0.53742%0.415SS..Hα-helixtrans-59.1-47175.1-73176.6173.900111.3Q422 Q428 R429 Y430Q422-E426 WeakPolarHBondContact O-CG 3.37Å; Q422-E426 PolarHBondContact O-N 3.09Å; E426-Q428 PolarHBondContact O-N 3.48Å; E426-R429 PolarHBondContact O-N 2.94Å; E426-R429 VanDerWaalsContact O-N 3.11Å; E426-Y430 PolarHBondContact O-N 2.93Å
427K85.8Confident78.1Confident125 Ų12587.4 Ų87.454%0.54344%0.438SS..Hα-helixtrans-62.9-29.3176.4-170.1171.4-175.6169.90113.3Q423 Y424 Y430Q423-K427 WeakPolarHBondContact O-CB 3.48Å; Q423-K427 PolarHBondContact O-N 2.68Å; Y424-K427 PolarHBondContact O-N 3.35Å; K427-Y430 CarbonylContact O-C 3.59Å
428Q82.7Confident75.7Confident103 Ų10391.3 Ų91.348%0.48146%0.462SS..Hα-helixtrans-76.9-33.6173.9-69-66.5-59.800112.6Y424 R425 E426Y424-Q428 HydrophobicContact CD2-CG 4.37Å; Y424-Q428 HydrophobicContact CE1-CG 4.13Å; Y424-Q428 HydrophobicContact CE2-CG 3.98Å; Y424-Q428 WeakPolarHBondContact O-CG 3.45Å; Y424-Q428 PolarHBondContact O-N 2.98Å; R425-Q428 PolarHBondContact O-N 2.88Å; E426-Q428 PolarHBondContact O-N 3.48Å
429R82Confident73.4Confident159 Ų15997.8 Ų97.860%0.649%0.489SS*.Hα-helixtrans-71.7-36.1177-75.3-179.3-179165.20.8112.2R425 E426R425-R429 PolarHBondContact O-N 3.13Å; E426-R429 PolarHBondContact O-N 2.94Å; E426-R429 VanDerWaalsContact O-N 3.11Å
430Y77.8Confident71.1Confident187 Ų187105.8 Ų105.873%0.73352%0.517SS*.SBendtrans-125.479.2-179.9-57.3-78000110.3E426 K427 T432E426-Y430 PolarHBondContact O-N 2.93Å; K427-Y430 CarbonylContact O-C 3.59Å; Y430-T432 PolarHBondContact O-N 3.18Å
431P73.2Confident69Low100 Ų100110.7 Ų110.765%0.64954%0.544SS*.  trans-64.1108.8171.125.6-30.1000108.1
432T64.5Low67.1Low119 Ų119119.2 Ų119.273%0.7358%0.577SS**PPolyproline II helixtrans-50.2127.9170.912.60000108.8Y430Y430-T432 PolarHBondContact O-N 3.18Å
433P56.7Low64.8Low103 Ų103124.5 Ų124.567%0.66960%0.602SS**PPolyproline II helixtrans-56.6147.1172.421.9-29.9000109.1M435P433-M435 PolarHBondContact O-N 3.34Å
434P53.8Low62.6Low123 Ų123132.2 Ų132.280%0.79964%0.635SS**PPolyproline II helixtrans-52128.8176.621-30.3000108.6L436P434-L436 PolarHBondContact O-N 2.74Å; P434-L436 VanDerWaalsContact O-N 3.12Å
435M52Low60.4Low174 Ų174139 Ų13986%0.85767%0.673SS**PPolyproline II helixtrans-57123.1176.4-64.1-174.984.300107.3P433P433-M435 PolarHBondContact O-N 3.34Å
436L50.2Low58.3Low156 Ų156140.2 Ų140.282%0.81770%0.695SS**PPolyproline II helixtrans-50.5134.3166.7-79.2157.3000107.4P434 T438P434-L436 PolarHBondContact O-N 2.74Å; P434-L436 VanDerWaalsContact O-N 3.12Å; L436-T438 PolarHBondContact O-N 3.29Å; L436-T438 VanDerWaalsContact O-N 3.09Å
437P46.6Very low56Low77 Ų77140 Ų14050%0.570%0.703SS.*PPolyproline II helixtrans-48.9124.2178.716.5-27.9000108.9D441 Y442P437-D441 HydrophobicContact CB-CB 4.08Å; P437-Y442 HydrophobicContact CB-CE2 4.44Å; P437-Y442 HydrophobicContact CG-CE2 4.21Å
438T45.3Very low54.3Low82 Ų82141.2 Ų141.250%0.50372%0.715SS.*PPolyproline II helixtrans-65.4149.9177.632.20000108.3L436 R440 D441L436-T438 PolarHBondContact O-N 3.29Å; L436-T438 VanDerWaalsContact O-N 3.09Å; T438-R440 PolarHBondContact O-N 2.84Å; T438-D441 PolarHBondContact N-OD2 2.99Å; T438-D441 WeakPolarHBondContact O-CB 3.38Å; T438-D441 PolarHBondContact O-N 2.95Å; T438-D441 PolarHBondContact OG1-OD2 3.03Å; T438-D441 VanDerWaalsContact OG1-OD2 3.13Å
439K44.7Very low52.7Low185 Ų185145.3 Ų145.380%0.80474%0.735SS**G310 helixtrans-49.9-20.1-179.4-159.3175.5-179.6-177.10114.6D441 Y442K439-D441 VanDerWaalsContact C-N 3.28Å; K439-D441 PolarHBondContact O-N 3.37Å; K439-Y442 PolarHBondContact O-N 3.28Å
440R44.4Very low51.2Low222 Ų222143.7 Ų143.784%0.83874%0.738SS**G310 helixtrans-68-20.3172.9-63.7-171.9-152.2179.67114.6T438 Y442T438-R440 PolarHBondContact O-N 2.84Å; R440-Y442 VanDerWaalsContact C-N 3.28Å
441D49Very low50Low110 Ų110140.1 Ų140.159%0.58874%0.737SS**G310 helixtrans-82.6-6.9-178.9-56.4-44.4000112.2P437 T438 K439P437-D441 HydrophobicContact CB-CB 4.08Å; T438-D441 PolarHBondContact N-OD2 2.99Å; T438-D441 WeakPolarHBondContact O-CB 3.38Å; T438-D441 PolarHBondContact O-N 2.95Å; T438-D441 PolarHBondContact OG1-OD2 3.03Å; T438-D441 VanDerWaalsContact OG1-OD2 3.13Å; K439-D441 VanDerWaalsContact C-N 3.28Å; K439-D441 PolarHBondContact O-N 3.37Å
442Y52.4Low49.1Very low186 Ų186145.3 Ų145.373%0.72975%0.746SS**G310 helixtrans-104.31.6179.4-85.8-82.3000114.4P437 K439 R440P437-Y442 HydrophobicContact CB-CE2 4.44Å; P437-Y442 HydrophobicContact CG-CE2 4.21Å; K439-Y442 PolarHBondContact O-N 3.28Å; R440-Y442 VanDerWaalsContact C-N 3.28Å
443E44.1Very low48.1Very low159 Ų159149.6 Ų149.674%0.74375%0.748SS**SBendtrans-101.523.8-166.6-147.5138.2-16000114.1
444F43.2Very low47.6Very low189 Ų189152 Ų15283%0.82976%0.755SS**  trans-149.872.1173.4-155.6-90.2000110.7
445D43.9Very low47.2Very low159 Ų159154.8 Ų154.885%0.8576%0.758SS**SBendtrans-157.5129.1140.8-91.4-30.2000109.2
446S44Very low47.4Very low112 Ų112156.6 Ų156.678%0.78376%0.761SS**  trans-62.2155.6-166.5-161.10000113.6D448S446-D448 PolarHBondContact O-N 3.4Å
447P39.5Very low47.7Very low110 Ų110155 Ų15571%0.71476%0.757SS**  trans-89.3109.9-167.233.3-25.4000111
448D50.6Low48.2Very low151 Ų151156.8 Ų156.881%0.80777%0.769SS**  trans-158.4137.3161-85.2-44.5000108.8S446S446-D448 PolarHBondContact O-N 3.4Å
449Q50Low48.7Very low189 Ų189160.9 Ų160.988%0.88379%0.787SS**  trans96.380.5174.8-54.5176.5-10.800116.9
450D48.8Very low49.3Very low125 Ų125158 Ų15867%0.66879%0.785SS**  trans-80.3117.5153.8-176.4-0.3000109.1Y452D450-Y452 PolarHBondContact OD1-N 2.77Å
451P53.8Low49.5Very low111 Ų111158.7 Ų158.772%0.72181%0.806SS**SBendtrans-86.21.5-176.50.417.9000115.2
452Y53.8Low49.5Very low210 Ų210161.2 Ų161.282%0.82482%0.816SS**  trans-113.918.9-171-81.5-82.7000116.1D450 N454D450-Y452 PolarHBondContact OD1-N 2.77Å; Y452-N454 PolarHBondContact O-N 3.43Å
453R43Very low49.3Very low208 Ų208159.8 Ų159.879%0.78582%0.821SS**  trans-88.487.1167.4-173.6179.7-75-141.1-1109.4
454N45.7Very low49.6Very low153 Ų153159.9 Ų159.982%0.81883%0.825SS**  trans166.979.6144.4-80.6-20000111.3Y452Y452-N454 PolarHBondContact O-N 3.43Å
455E46.6Very low50Low183 Ų183158.2 Ų158.286%0.85583%0.825SS**  trans-152.390.6148.7-143.8154.2174.800109.6
456K55.2Low50.4Low211 Ų211158.1 Ų158.192%0.91782%0.824SS**  trans-85.6108.7164.8-74.4-175.9178.5-176.70107.1
457V57.7Low50.8Low122 Ų122161.2 Ų161.274%0.73983%0.826SS**PPolyproline II helixtrans-83.6134160.5-1790000107.4
458P55.8Low51.6Low115 Ų115164.9 Ų164.975%0.74783%0.834SS**PPolyproline II helixtrans-77.1135-176.54.711.2000111
459L57.7Low51.7Low168 Ų168165.9 Ų165.988%0.8884%0.836SS**PPolyproline II helixtrans-69.2126.7159.7-89.5129.3000108.7
460T56.6Low51.8Low126 Ų126164 Ų16477%0.77383%0.832SS**PPolyproline II helixtrans-74.6140.7156.443.20000109.3
461D47.3Very low52.1Low236 Ų236167.5 Ų167.5100%1.26285%0.847SS**  trans82.80-177.7-58.9-13.8000118

Retrieved 461 of 461 residues in 435.3 ms (Link to these results)

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