X5HXP0_MOUSE Loading...

Vomeronasal type-2 receptor 56

AlphaFold DB , UniProt , Accession X5HXP0, Species MOUSE (Mus musculus, Mouse), Gene Vmn2r56, Length 773 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
1M67Low84.6Confident109 Ų10935.5 Ų35.554%0.53718%0.183SC..  0-58.70-166.3-170.3-110.200112.3G3 Y4 R5 F282 F285M1-G3 PolarHBondContact O-N 3.34Å; M1-Y4 PolarHBondContact O-N 3.37Å; M1-R5 PolarHBondContact O-N 3.4Å; M1-F282 HydrophobicContact CG-CE2 4.24Å; M1-F285 HydrophobicContact CB-CD1 3.98Å; M1-F285 HydrophobicContact CB-CE1 3.75Å; M1-F285 HydrophobicContact CE-CD1 3.32Å; M1-F285 HydrophobicContact CE-CE1 3.31Å; M1-F285 HydrophobicContact CG-CD1 4.11Å; M1-F285 HydrophobicContact CG-CE1 4.06Å; M1-F285 HydrophobicContact SD-CD1 4.16Å; M1-F285 HydrophobicContact SD-CE1 3.76Å
2W75.4Confident85.2Confident108 Ų10834.3 Ų34.341%0.40918%0.176SC..Hα-helixtrans-60.3-45.9-177.2179.589.8000113.5Y4 R5 V6 T76 Y98W2-Y4 VanDerWaalsContact C-N 3.3Å; W2-Y4 PolarHBondContact O-N 3.1Å; W2-R5 PolarHBondContact O-N 3.16Å; W2-V6 HydrophobicContact CD2-CG2 4.03Å; W2-V6 HydrophobicContact CE3-CG2 4.17Å; W2-V6 HydrophobicContact CH2-CG2 3.87Å; W2-V6 HydrophobicContact CZ2-CG2 3.72Å; W2-V6 HydrophobicContact CZ3-CG2 4.05Å; W2-V6 PolarHBondContact O-N 3.44Å; W2-V6 VanDerWaalsContact O-N 3.13Å; W2-T76 HydrophobicContact CE3-CG2 4.29Å; W2-T76 HydrophobicContact CH2-CG2 3.19Å; W2-T76 WeakPolarHBondContact CH2-OG1 3.37Å; W2-T76 HydrophobicContact CZ2-CG2 4.31Å; W2-T76 HydrophobicContact CZ3-CG2 3.21Å; W2-T76 WeakPolarHBondContact CZ3-OG1 3.43Å; W2-Y98 HydrophobicContact CH2-CD2 4.5Å; W2-Y98 AromaticContact CH2-CE2 3.77Å; W2-Y98 HydrophobicContact CH2-CE2 3.77Å; W2-Y98 HydrophobicContact CZ3-CE2 4.42Å
3G81.1Confident85.9Confident41 Ų4131.7 Ų31.742%0.42316%0.162SC..Hα-helixtrans-58.8-36.3179.400000114.3M1 V6 A7M1-G3 PolarHBondContact O-N 3.34Å; G3-V6 PolarHBondContact O-N 2.91Å; G3-A7 PolarHBondContact O-N 3.34Å
4Y84.9Confident86.5Confident22 Ų2230.1 Ų30.19%0.08615%0.154CC..Hα-helixtrans-68.5-37176.5-178.9-105.8000112.3M1 W2 V6 A7 Q8 D276 F278 I279 F282M1-Y4 PolarHBondContact O-N 3.37Å; W2-Y4 VanDerWaalsContact C-N 3.3Å; W2-Y4 PolarHBondContact O-N 3.1Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.38Å; Y4-A7 WeakPolarHBondContact O-CB 3.32Å; Y4-A7 PolarHBondContact O-N 3.46Å; Y4-Q8 HydrophobicContact CD1-CG 4.21Å; Y4-Q8 HydrophobicContact CE1-CG 3.8Å; Y4-Q8 HydrophobicContact CE2-CG 4.34Å; Y4-Q8 VanDerWaalsContact CZ-NE2 3.3Å; Y4-Q8 WeakPolarHBondContact O-CG 3.24Å; Y4-Q8 PolarHBondContact O-N 3.22Å; Y4-Q8 PolarHBondContact OH-NE2 3.43Å; Y4-Q8 VanDerWaalsContact OH-NE2 3.12Å; Y4-D276 WeakPolarHBondContact CE2-OD2 3.23Å; Y4-D276 PolarHBondContact OH-OD2 3.46Å; Y4-F278 HydrophobicContact CD2-CB 3.51Å; Y4-F278 HydrophobicContact CD2-CG 4.38Å; Y4-F278 HydrophobicContact CE2-CB 3.61Å; Y4-I279 WeakPolarHBondContact OH-CA 3.36Å; Y4-I279 VanDerWaalsContact OH-CB 3.27Å; Y4-I279 WeakPolarHBondContact OH-CB 3.49Å; Y4-I279 VanDerWaalsContact OH-CG1 3.31Å; Y4-I279 WeakPolarHBondContact OH-CG1 3.36Å; Y4-F282 HydrophobicContact CD1-CB 3.69Å; Y4-F282 AromaticContact CD1-CD1 3.84Å; Y4-F282 HydrophobicContact CD1-CD1 3.84Å; Y4-F282 AromaticContact CD1-CD2 3.39Å; Y4-F282 HydrophobicContact CD1-CD2 3.39Å; Y4-F282 HydrophobicContact CD1-CE1 4.32Å; Y4-F282 AromaticContact CD1-CE2 3.92Å; Y4-F282 HydrophobicContact CD1-CE2 3.92Å; Y4-F282 AromaticContact CD1-CG 3.33Å; Y4-F282 HydrophobicContact CD1-CG 3.33Å; Y4-F282 HydrophobicContact CD1-CZ 4.36Å; Y4-F282 HydrophobicContact CE1-CB 3.81Å; Y4-F282 AromaticContact CE1-CD1 3.5Å; Y4-F282 HydrophobicContact CE1-CD1 3.5Å; Y4-F282 AromaticContact CE1-CD2 3.98Å; Y4-F282 HydrophobicContact CE1-CD2 3.98Å; Y4-F282 HydrophobicContact CE1-CE1 4.04Å; Y4-F282 HydrophobicContact CE1-CE2 4.45Å; Y4-F282 AromaticContact CE1-CG 3.46Å; Y4-F282 HydrophobicContact CE1-CG 3.46Å; Y4-F282 VanDerWaalsContact CE1-CG 3.46Å; Y4-F282 HydrophobicContact CE1-CZ 4.48Å; Y4-F282 HydrophobicContact CG-CB 4.19Å; Y4-F282 HydrophobicContact CG-CD2 4.23Å; Y4-F282 HydrophobicContact CG-CG 4.24Å
5R82.6Confident87Confident33 Ų3332.5 Ų32.513%0.12516%0.164CC..Hα-helixtrans-64.6-39.8175-69.7-176.8174.9-134.85.1111.7M1 W2 A7 Q8 S9 H316 I324M1-R5 PolarHBondContact O-N 3.4Å; W2-R5 PolarHBondContact O-N 3.16Å; R5-A7 VanDerWaalsContact C-N 3.33Å; R5-Q8 PolarHBondContact O-N 3.26Å; R5-S9 PolarHBondContact O-N 2.88Å; R5-H316 PolarHBondContact NH1-CD2 3.24Å; R5-H316 PolarHBondContact NH1-CE1 3.2Å; R5-H316 PolarHBondContact NH1-NE2 2.89Å; R5-H316 PolarHBondContact NH2-CE1 3.35Å; R5-H316 PolarHBondContact NH2-ND1 3.41Å; R5-I324 HydrophobicContact CB-CG2 4.14Å
6V86.3Confident87.4Confident3 Ų333.6 Ų33.62%0.01817%0.168CC..Hα-helixtrans-63.3-41.5174.2178.60000111W2 G3 Y4 Q8 S9 F10 Y98 A326 A327W2-V6 HydrophobicContact CD2-CG2 4.03Å; W2-V6 HydrophobicContact CE3-CG2 4.17Å; W2-V6 HydrophobicContact CH2-CG2 3.87Å; W2-V6 HydrophobicContact CZ2-CG2 3.72Å; W2-V6 HydrophobicContact CZ3-CG2 4.05Å; W2-V6 PolarHBondContact O-N 3.44Å; W2-V6 VanDerWaalsContact O-N 3.13Å; G3-V6 PolarHBondContact O-N 2.91Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.38Å; V6-Q8 VanDerWaalsContact C-N 3.32Å; V6-Q8 PolarHBondContact O-N 3.08Å; V6-S9 WeakPolarHBondContact O-CB 3.5Å; V6-S9 PolarHBondContact O-N 3.46Å; V6-S9 VanDerWaalsContact O-N 3.16Å; V6-F10 PolarHBondContact O-N 3.2Å; V6-Y98 HydrophobicContact CB-CE2 4.47Å; V6-Y98 HydrophobicContact CG1-CD1 4.37Å; V6-Y98 HydrophobicContact CG1-CD2 4Å; V6-Y98 HydrophobicContact CG1-CE1 3.93Å; V6-Y98 HydrophobicContact CG1-CE2 3.52Å; V6-Y98 HydrophobicContact CG1-CG 4.41Å; V6-Y98 VanDerWaalsContact CG1-CZ 3.49Å; V6-Y98 HydrophobicContact CG2-CE2 4.39Å; V6-A326 HydrophobicContact CG2-CB 4.43Å; V6-A327 HydrophobicContact CG1-CB 3.8Å
7A89.4Confident87.8Confident16 Ų1631.8 Ų31.813%0.13216%0.159CC..Hα-helixtrans-59.9-41.7173.200000111.7G3 Y4 R5 S9 F10 V11 I33G3-A7 PolarHBondContact O-N 3.34Å; Y4-A7 WeakPolarHBondContact O-CB 3.32Å; Y4-A7 PolarHBondContact O-N 3.46Å; R5-A7 VanDerWaalsContact C-N 3.33Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.28Å; A7-F10 VanDerWaalsContact O-CB 3.29Å; A7-F10 WeakPolarHBondContact O-CB 3.29Å; A7-F10 PolarHBondContact O-N 3.29Å; A7-F10 VanDerWaalsContact O-N 3.16Å; A7-V11 WeakPolarHBondContact O-CG2 3.26Å; A7-V11 PolarHBondContact O-N 3.16Å; A7-I33 HydrophobicContact CB-CD1 4.26Å; A7-I33 HydrophobicContact CB-CG2 4.22Å
8Q89.5Confident88.2Confident7 Ų733.2 Ų33.23%0.03317%0.167CC..Hα-helixtrans-67-32.6175.1-67.7-60.5-38.100112.8Y4 R5 V6 F10 V11 F12 F261 F264 L265 L268 D276Y4-Q8 HydrophobicContact CD1-CG 4.21Å; Y4-Q8 HydrophobicContact CE1-CG 3.8Å; Y4-Q8 HydrophobicContact CE2-CG 4.34Å; Y4-Q8 VanDerWaalsContact CZ-NE2 3.3Å; Y4-Q8 WeakPolarHBondContact O-CG 3.24Å; Y4-Q8 PolarHBondContact O-N 3.22Å; Y4-Q8 PolarHBondContact OH-NE2 3.43Å; Y4-Q8 VanDerWaalsContact OH-NE2 3.12Å; R5-Q8 PolarHBondContact O-N 3.26Å; V6-Q8 VanDerWaalsContact C-N 3.32Å; V6-Q8 PolarHBondContact O-N 3.08Å; Q8-F10 VanDerWaalsContact C-N 3.32Å; Q8-V11 PolarHBondContact O-N 3.48Å; Q8-F12 VanDerWaalsContact O-CB 3.32Å; Q8-F12 WeakPolarHBondContact O-CB 3.22Å; Q8-F12 PolarHBondContact O-N 3.26Å; Q8-F261 HydrophobicContact CB-CE2 4.37Å; Q8-F261 HydrophobicContact CB-CZ 4.42Å; Q8-F264 HydrophobicContact CB-CE1 4.36Å; Q8-L265 HydrophobicContact CB-CD2 3.65Å; Q8-L265 HydrophobicContact CG-CD2 4.25Å; Q8-L268 HydrophobicContact CG-CD1 3.92Å; Q8-D276 PolarHBondContact NE2-OD2 2.99Å
9S90Very high88.5Confident0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-63.6-38.7170.5161.70000112.1R5 V6 A7 A13 F261 I324 D325 Y328R5-S9 PolarHBondContact O-N 2.88Å; V6-S9 WeakPolarHBondContact O-CB 3.5Å; V6-S9 PolarHBondContact O-N 3.46Å; V6-S9 VanDerWaalsContact O-N 3.16Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.28Å; S9-A13 PolarHBondContact O-N 2.99Å; S9-A13 VanDerWaalsContact O-N 3.1Å; S9-F261 VanDerWaalsContact CA-CE2 3.41Å; S9-F261 VanDerWaalsContact CA-CZ 3.47Å; S9-I324 WeakPolarHBondContact CB-O 3.35Å; S9-D325 VanDerWaalsContact OG-CA 3.22Å; S9-D325 WeakPolarHBondContact OG-CA 3.47Å; S9-D325 PolarHBondContact OG-O 3.45Å; S9-Y328 PolarHBondContact OG-N 3.31Å
10F92.2Very high88.7Confident38 Ų3841.3 Ų41.317%0.16720%0.2CC..Hα-helixtrans-62.6-48.6173.2178-75.1000110.7V6 A7 Q8 F12 A13 I14 F31 V73 A327 V331V6-F10 PolarHBondContact O-N 3.2Å; A7-F10 VanDerWaalsContact O-CB 3.29Å; A7-F10 WeakPolarHBondContact O-CB 3.29Å; A7-F10 PolarHBondContact O-N 3.29Å; A7-F10 VanDerWaalsContact O-N 3.16Å; Q8-F10 VanDerWaalsContact C-N 3.32Å; F10-F12 PolarHBondContact O-N 3.37Å; F10-A13 PolarHBondContact O-N 3.4Å; F10-I14 HydrophobicContact CD1-CG1 4.15Å; F10-I14 HydrophobicContact CE1-CD1 4.29Å; F10-I14 HydrophobicContact CE1-CG1 3.69Å; F10-I14 HydrophobicContact CZ-CD1 4.34Å; F10-I14 HydrophobicContact CZ-CG1 4.21Å; F10-I14 WeakPolarHBondContact O-CG1 3.37Å; F10-I14 PolarHBondContact O-N 3.09Å; F10-I14 VanDerWaalsContact O-N 3.12Å; F10-F31 HydrophobicContact CE1-CB 3.45Å; F10-F31 VanDerWaalsContact CE1-CB 3.45Å; F10-F31 HydrophobicContact CE1-CD1 4.41Å; F10-F31 HydrophobicContact CE1-CD2 4.14Å; F10-F31 AromaticContact CE1-CG 3.76Å; F10-F31 HydrophobicContact CE1-CG 3.76Å; F10-F31 HydrophobicContact CZ-CB 3.96Å; F10-V73 HydrophobicContact CD2-CB 4.05Å; F10-V73 HydrophobicContact CD2-CG1 4.07Å; F10-V73 HydrophobicContact CD2-CG2 4.25Å; F10-V73 HydrophobicContact CE2-CB 3.83Å; F10-V73 HydrophobicContact CE2-CG1 4.35Å; F10-V73 HydrophobicContact CE2-CG2 3.73Å; F10-A327 HydrophobicContact CB-CB 3.84Å; F10-A327 HydrophobicContact CD2-CB 4.5Å; F10-V331 HydrophobicContact CB-CG2 4.42Å; F10-V331 HydrophobicContact CD2-CG2 3.24Å; F10-V331 HydrophobicContact CE2-CG2 3.47Å; F10-V331 VanDerWaalsContact CE2-CG2 3.47Å; F10-V331 HydrophobicContact CG-CG2 3.87Å; F10-V331 HydrophobicContact CZ-CG2 4.21Å
11V92.6Very high88.8Confident14 Ų1444.6 Ų44.69%0.08522%0.223CC..Hα-helixtrans-60.1-46.5178.8175.70000111A7 Q8 A13 I14 E15 F31 I33 F264A7-V11 WeakPolarHBondContact O-CG2 3.26Å; A7-V11 PolarHBondContact O-N 3.16Å; Q8-V11 PolarHBondContact O-N 3.48Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 2.87Å; V11-I14 PolarHBondContact O-N 3.01Å; V11-I14 VanDerWaalsContact O-N 3.16Å; V11-E15 HydrophobicContact CG1-CG 4.47Å; V11-E15 PolarHBondContact O-N 2.97Å; V11-F31 HydrophobicContact CB-CZ 4.46Å; V11-F31 HydrophobicContact CG1-CZ 4.13Å; V11-F31 HydrophobicContact CG2-CE2 3.83Å; V11-F31 HydrophobicContact CG2-CZ 3.78Å; V11-I33 HydrophobicContact CG2-CD1 3.72Å; V11-F264 HydrophobicContact CG1-CZ 4.19Å
12F92Very high89.9Confident21 Ų2146.9 Ų46.99%0.09223%0.232CC..Hα-helixtrans-55.8-47177.2175.5-102.5000112.1Q8 F10 I14 E15 E16 A258 I259 F261 F264 Y328Q8-F12 VanDerWaalsContact O-CB 3.32Å; Q8-F12 WeakPolarHBondContact O-CB 3.22Å; Q8-F12 PolarHBondContact O-N 3.26Å; F10-F12 PolarHBondContact O-N 3.37Å; F12-I14 VanDerWaalsContact C-N 3.33Å; F12-I14 PolarHBondContact O-N 3.36Å; F12-E15 PolarHBondContact O-N 3.3Å; F12-E16 VanDerWaalsContact CE1-OE2 3.29Å; F12-E16 WeakPolarHBondContact CE1-OE2 3.38Å; F12-E16 WeakPolarHBondContact CZ-OE2 3.26Å; F12-E16 WeakPolarHBondContact O-CB 3.37Å; F12-E16 PolarHBondContact O-N 3.4Å; F12-A258 HydrophobicContact CD1-CB 4.23Å; F12-A258 HydrophobicContact CE1-CB 3.98Å; F12-I259 WeakPolarHBondContact CZ-O 3.36Å; F12-F261 HydrophobicContact CB-CD2 3.64Å; F12-F261 HydrophobicContact CB-CE2 3.93Å; F12-F261 HydrophobicContact CD1-CB 4.02Å; F12-F261 AromaticContact CD1-CD2 3.86Å; F12-F261 HydrophobicContact CD1-CD2 3.86Å; F12-F261 HydrophobicContact CD1-CG 4.3Å; F12-F261 HydrophobicContact CD2-CD2 4.21Å; F12-F261 HydrophobicContact CE1-CB 4.01Å; F12-F261 HydrophobicContact CG-CB 4.42Å; F12-F261 AromaticContact CG-CD2 3.62Å; F12-F261 HydrophobicContact CG-CD2 3.62Å; F12-F261 HydrophobicContact CG-CE2 4.4Å; F12-F261 HydrophobicContact CG-CG 4.45Å; F12-F261 HydrophobicContact CZ-CB 4.38Å; F12-F264 HydrophobicContact CB-CD1 3.95Å; F12-F264 HydrophobicContact CB-CE1 4.01Å; F12-F264 HydrophobicContact CB-CG 4.29Å; F12-F264 HydrophobicContact CB-CZ 4.39Å; F12-F264 HydrophobicContact CD2-CB 3.59Å; F12-F264 HydrophobicContact CD2-CD1 4.02Å; F12-F264 AromaticContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CE2 4.41Å; F12-F264 AromaticContact CD2-CG 3.51Å; F12-F264 HydrophobicContact CD2-CG 3.51Å; F12-F264 HydrophobicContact CE2-CB 3.91Å; F12-F264 HydrophobicContact CE2-CG 4.3Å; F12-F264 HydrophobicContact CG-CD1 4.35Å; F12-F264 HydrophobicContact CG-CG 4.28Å; F12-Y328 HydrophobicContact CD1-CD2 4.03Å; F12-Y328 HydrophobicContact CD1-CE2 4.05Å; F12-Y328 HydrophobicContact CE1-CD2 4.28Å; F12-Y328 AromaticContact CE1-CE2 3.88Å; F12-Y328 HydrophobicContact CE1-CE2 3.88Å
13A93.4Very high90.7Very high0 Ų042.4 Ų42.40%022%0.216CC..Hα-helixtrans-59.8-43.8177.600000111.8S9 F10 V11 E16 I17 Y328 V331 Y332S9-A13 PolarHBondContact O-N 2.99Å; S9-A13 VanDerWaalsContact O-N 3.1Å; F10-A13 PolarHBondContact O-N 3.4Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 2.87Å; A13-E16 PolarHBondContact O-N 3.48Å; A13-I17 WeakPolarHBondContact O-CB 3.28Å; A13-I17 VanDerWaalsContact O-CD1 3.29Å; A13-I17 WeakPolarHBondContact O-CD1 3.37Å; A13-I17 WeakPolarHBondContact O-CG1 3.46Å; A13-I17 PolarHBondContact O-N 3Å; A13-Y328 HydrophobicContact CB-CD2 3.63Å; A13-Y328 HydrophobicContact CB-CE2 4.2Å; A13-Y328 HydrophobicContact CB-CG 4.35Å; A13-V331 HydrophobicContact CB-CB 3.77Å; A13-V331 HydrophobicContact CB-CG1 3.78Å; A13-V331 HydrophobicContact CB-CG2 4.21Å; A13-Y332 HydrophobicContact CB-CD2 4.38Å; A13-Y332 HydrophobicContact CB-CE2 4.48Å
14I94.8Very high91.2Very high9 Ų940.9 Ų40.95%0.04620%0.198CC..Hα-helixtrans-63-46.5177.4-65.3-69.4000111.5F10 V11 F12 E16 I17 N18 L29 F31 V331F10-I14 HydrophobicContact CD1-CG1 4.15Å; F10-I14 HydrophobicContact CE1-CD1 4.29Å; F10-I14 HydrophobicContact CE1-CG1 3.69Å; F10-I14 HydrophobicContact CZ-CD1 4.34Å; F10-I14 HydrophobicContact CZ-CG1 4.21Å; F10-I14 WeakPolarHBondContact O-CG1 3.37Å; F10-I14 PolarHBondContact O-N 3.09Å; F10-I14 VanDerWaalsContact O-N 3.12Å; V11-I14 PolarHBondContact O-N 3.01Å; V11-I14 VanDerWaalsContact O-N 3.16Å; F12-I14 VanDerWaalsContact C-N 3.33Å; F12-I14 PolarHBondContact O-N 3.36Å; I14-E16 VanDerWaalsContact C-N 3.31Å; I14-E16 PolarHBondContact O-N 3.33Å; I14-I17 PolarHBondContact O-N 3.26Å; I14-N18 WeakPolarHBondContact CG2-ND2 3.43Å; I14-N18 WeakPolarHBondContact O-CB 3.35Å; I14-N18 VanDerWaalsContact O-CG 3.28Å; I14-N18 PolarHBondContact O-N 2.83Å; I14-N18 PolarHBondContact O-ND2 3.3Å; I14-L29 HydrophobicContact CD1-CB 3.96Å; I14-L29 HydrophobicContact CD1-CD1 4.11Å; I14-L29 HydrophobicContact CG2-CB 4.25Å; I14-L29 WeakPolarHBondContact CG2-O 3.37Å; I14-F31 HydrophobicContact CB-CD1 4.31Å; I14-F31 HydrophobicContact CG1-CD1 4.24Å; I14-F31 HydrophobicContact CG2-CD1 3.9Å; I14-F31 HydrophobicContact CG2-CE1 4.21Å; I14-V331 HydrophobicContact CD1-CG1 3.51Å; I14-V331 HydrophobicContact CG1-CG1 3.99Å
15E93.5Very high91.3Very high66 Ų6643 Ų4331%0.30822%0.215SC..Hα-helixtrans-61.1-40.6178.1-76.9-167.4-15800112.3V11 F12 R19V11-E15 HydrophobicContact CG1-CG 4.47Å; V11-E15 PolarHBondContact O-N 2.97Å; F12-E15 PolarHBondContact O-N 3.3Å; E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 2.92Å; E15-R19 IonicContact OE2-CZ 2.69Å; E15-R19 IonicContact OE2-NH2 3.86Å; E15-R19 PolarHBondContact OE2-NH2 3.5Å
16E93.4Very high91.4Very high50 Ų5049.8 Ų49.823%0.23425%0.254CS..Hα-helixtrans-64.9-46178.1-171176.498.100111.5F12 A13 I14 R19 S20 Y328 Y332F12-E16 VanDerWaalsContact CE1-OE2 3.29Å; F12-E16 WeakPolarHBondContact CE1-OE2 3.38Å; F12-E16 WeakPolarHBondContact CZ-OE2 3.26Å; F12-E16 WeakPolarHBondContact O-CB 3.37Å; F12-E16 PolarHBondContact O-N 3.4Å; A13-E16 PolarHBondContact O-N 3.48Å; I14-E16 VanDerWaalsContact C-N 3.31Å; I14-E16 PolarHBondContact O-N 3.33Å; E16-R19 PolarHBondContact O-N 3.1Å; E16-S20 PolarHBondContact O-N 3.37Å; E16-Y328 PolarHBondContact OE1-OH 2.67Å; E16-Y332 PolarHBondContact OE1-OH 2.65Å
17I94.6Very high91.4Very high3 Ų351.8 Ų51.82%0.01526%0.264CS..Hα-helixtrans-64.4-44.4178.3-66.2162.9000110.7A13 I14 R19 S20 L23 L24 L29 V331 Y332 A335A13-I17 WeakPolarHBondContact O-CB 3.28Å; A13-I17 VanDerWaalsContact O-CD1 3.29Å; A13-I17 WeakPolarHBondContact O-CD1 3.37Å; A13-I17 WeakPolarHBondContact O-CG1 3.46Å; A13-I17 PolarHBondContact O-N 3Å; I14-I17 PolarHBondContact O-N 3.26Å; I17-R19 PolarHBondContact O-N 3.3Å; I17-S20 WeakPolarHBondContact O-CB 3.26Å; I17-S20 PolarHBondContact O-N 2.93Å; I17-L23 HydrophobicContact CG1-CD2 4.17Å; I17-L23 HydrophobicContact CG2-CD2 4.15Å; I17-L23 HydrophobicContact CG2-CG 4.34Å; I17-L24 HydrophobicContact CG2-CD1 4.31Å; I17-L29 HydrophobicContact CG2-CD1 3.85Å; I17-V331 HydrophobicContact CD1-CG1 3.77Å; I17-Y332 HydrophobicContact CD1-CD2 3.97Å; I17-Y332 HydrophobicContact CD1-CE2 3.97Å; I17-Y332 HydrophobicContact CD1-CG 4.25Å; I17-Y332 HydrophobicContact CG1-CD2 4.37Å; I17-Y332 HydrophobicContact CG1-CE1 4.16Å; I17-Y332 HydrophobicContact CG1-CE2 3.88Å; I17-A335 HydrophobicContact CD1-CB 3.74Å; I17-A335 HydrophobicContact CG2-CB 4.13Å
18N95.4Very high91.4Very high57 Ų5756.6 Ų56.631%0.30529%0.292SS..Hα-helixtrans-64.8-19.8178.2-75.3-21.5000113.5I14 L29I14-N18 WeakPolarHBondContact CG2-ND2 3.43Å; I14-N18 WeakPolarHBondContact O-CB 3.35Å; I14-N18 VanDerWaalsContact O-CG 3.28Å; I14-N18 PolarHBondContact O-N 2.83Å; I14-N18 PolarHBondContact O-ND2 3.3Å; N18-L29 PolarHBondContact ND2-O 3.48Å; N18-L29 PolarHBondContact OD1-N 3.3Å
19R94Very high91.5Very high187 Ų18757.5 Ų57.571%0.70630%0.297SS*.THydrogen-bonded Turntrans-89.2-9.7172.5-70.7175.3-170.6157.515.3113E15 E16 I17E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 2.92Å; E15-R19 IonicContact OE2-CZ 2.69Å; E15-R19 IonicContact OE2-NH2 3.86Å; E15-R19 PolarHBondContact OE2-NH2 3.5Å; E16-R19 PolarHBondContact O-N 3.1Å; I17-R19 PolarHBondContact O-N 3.3Å
20S91.9Very high91.6Very high41 Ų4160.7 Ų60.729%0.28733%0.33SS..  trans-73.3134.6-179-170.80000111.5E16 I17 H22 L23E16-S20 PolarHBondContact O-N 3.37Å; I17-S20 WeakPolarHBondContact O-CB 3.26Å; I17-S20 PolarHBondContact O-N 2.93Å; S20-H22 PolarHBondContact OG-N 3.4Å; S20-L23 PolarHBondContact OG-N 3.27Å; S20-L23 VanDerWaalsContact OG-N 3.13Å
21T91.3Very high91.5Very high111 Ų11163.7 Ų63.768%0.68134%0.343SS*.SBendtrans-88.2-10.1170.753.20000112.6
22H90.4Very high91.4Very high157 Ų15766.5 Ų66.573%0.72736%0.363SS*.SBendtrans-104.3-43.1-174.4-63.9-67.9000112.4S20 H339S20-H22 PolarHBondContact OG-N 3.4Å; H22-H339 PolarHBondContact O-CE1 2.84Å
23L91.7Very high91.2Very high14 Ų1468.4 Ų68.47%0.07337%0.374CS..SBendtrans-96.8118.4-179-175.361.9000109.1I17 S20 Y332 A335 H339I17-L23 HydrophobicContact CG1-CD2 4.17Å; I17-L23 HydrophobicContact CG2-CD2 4.15Å; I17-L23 HydrophobicContact CG2-CG 4.34Å; S20-L23 PolarHBondContact OG-N 3.27Å; S20-L23 VanDerWaalsContact OG-N 3.13Å; L23-Y332 HydrophobicContact CD2-CD1 4.18Å; L23-Y332 HydrophobicContact CD2-CE1 3.99Å; L23-A335 HydrophobicContact CD2-CB 4.06Å; L23-H339 HydrophobicContact CD1-CB 3.68Å
24L90.7Very high91Very high9 Ų972.8 Ų72.85%0.04739%0.39CS..SBendtrans5553.9-178-61.4172.4000114.6I17 N26 L27 L29 A335 L338 H339 I342I17-L24 HydrophobicContact CG2-CD1 4.31Å; L24-N26 PolarHBondContact O-N 3.03Å; L24-L27 HydrophobicContact CB-CB 4.39Å; L24-L27 HydrophobicContact CD1-CD2 4.48Å; L24-L27 PolarHBondContact O-N 2.8Å; L24-L29 HydrophobicContact CD1-CD1 3.84Å; L24-L29 HydrophobicContact CD1-CD2 4.02Å; L24-L29 HydrophobicContact CD1-CG 4.04Å; L24-A335 HydrophobicContact CD1-CB 3.95Å; L24-L338 HydrophobicContact CD1-CB 4.4Å; L24-L338 HydrophobicContact CD2-CB 4.01Å; L24-H339 HydrophobicContact CD2-CB 3.85Å; L24-H339 HydrophobicContact CG-CB 4.24Å; L24-H339 PolarHBondContact N-ND1 3.43Å; L24-I342 HydrophobicContact CD2-CD1 3.89Å
25P86.9Confident90.6Very high66 Ų6677.1 Ų77.143%0.42941%0.414SS..THydrogen-bonded Turntrans-61.9134.7178.828-34.2000111L27P25-L27 VanDerWaalsContact C-N 3.28Å; P25-L27 PolarHBondContact O-N 3.48Å
26N84.6Confident90.3Very high177 Ų17774.9 Ų74.995%0.94741%0.405SS*.THydrogen-bonded Turntrans67.915.7-177.5-48.8-46.8000115.9L24L24-N26 PolarHBondContact O-N 3.03Å
27L86.9Confident89.9Confident45 Ų4574.8 Ų74.824%0.23642%0.418CS..  trans-123133.3172.2-169.9150.3000109.6L24 P25 L29 I342L24-L27 HydrophobicContact CB-CB 4.39Å; L24-L27 HydrophobicContact CD1-CD2 4.48Å; L24-L27 PolarHBondContact O-N 2.8Å; P25-L27 VanDerWaalsContact C-N 3.28Å; P25-L27 PolarHBondContact O-N 3.48Å; L27-L29 HydrophobicContact CD2-CD2 3.62Å; L27-L29 HydrophobicContact CD2-CG 4.2Å; L27-I342 HydrophobicContact CD1-CD1 3.88Å
28T90.2Very high89.3Confident116 Ų11679.2 Ų79.271%0.71244%0.441SS*.  trans-106121.9175.6-51.30000109.5
29L91.9Very high89.1Confident26 Ų2678.7 Ų78.714%0.13644%0.443CS..  trans-79.5118.2172.4-63.2179.3000109.6I14 I17 N18 L24 L27 A335 L338I14-L29 HydrophobicContact CD1-CB 3.96Å; I14-L29 HydrophobicContact CD1-CD1 4.11Å; I14-L29 HydrophobicContact CG2-CB 4.25Å; I14-L29 WeakPolarHBondContact CG2-O 3.37Å; I17-L29 HydrophobicContact CG2-CD1 3.85Å; N18-L29 PolarHBondContact ND2-O 3.48Å; N18-L29 PolarHBondContact OD1-N 3.3Å; L24-L29 HydrophobicContact CD1-CD1 3.84Å; L24-L29 HydrophobicContact CD1-CD2 4.02Å; L24-L29 HydrophobicContact CD1-CG 4.04Å; L27-L29 HydrophobicContact CD2-CD2 3.62Å; L27-L29 HydrophobicContact CD2-CG 4.2Å; L29-A335 HydrophobicContact CD1-CB 4.11Å; L29-L338 HydrophobicContact CD2-CD1 3.88Å
30G91.3Very high88.8Confident68 Ų6871.9 Ų71.970%0.70143%0.426SS*.  trans-90.2169.5166.800000111.7
31F90.9Very high88.8Confident101 Ų10177 Ų7744%0.44345%0.445SS..  trans-153.4165177.463-90.3000113F10 V11 I14 I33F10-F31 HydrophobicContact CE1-CB 3.45Å; F10-F31 VanDerWaalsContact CE1-CB 3.45Å; F10-F31 HydrophobicContact CE1-CD1 4.41Å; F10-F31 HydrophobicContact CE1-CD2 4.14Å; F10-F31 AromaticContact CE1-CG 3.76Å; F10-F31 HydrophobicContact CE1-CG 3.76Å; F10-F31 HydrophobicContact CZ-CB 3.96Å; V11-F31 HydrophobicContact CB-CZ 4.46Å; V11-F31 HydrophobicContact CG1-CZ 4.13Å; V11-F31 HydrophobicContact CG2-CE2 3.83Å; V11-F31 HydrophobicContact CG2-CZ 3.78Å; I14-F31 HydrophobicContact CB-CD1 4.31Å; I14-F31 HydrophobicContact CG1-CD1 4.24Å; I14-F31 HydrophobicContact CG2-CD1 3.9Å; I14-F31 HydrophobicContact CG2-CE1 4.21Å; F31-I33 HydrophobicContact CD2-CD1 3.99Å; F31-I33 HydrophobicContact CD2-CG1 3.96Å; F31-I33 HydrophobicContact CE2-CD1 3.75Å; F31-I33 HydrophobicContact CE2-CG1 4.22Å
32S88.8Confident88.8Confident72 Ų7272.3 Ų72.350%0.50342%0.419SS..  trans-138.9128.1170.4177.10000108.3
33I88.8Confident88.9Confident61 Ų6164.9 Ų64.931%0.31339%0.385SS..  trans-104124.4179.1-65162.8000108.3A7 V11 F31 F278A7-I33 HydrophobicContact CB-CD1 4.26Å; A7-I33 HydrophobicContact CB-CG2 4.22Å; V11-I33 HydrophobicContact CG2-CD1 3.72Å; F31-I33 HydrophobicContact CD2-CD1 3.99Å; F31-I33 HydrophobicContact CD2-CG1 3.96Å; F31-I33 HydrophobicContact CE2-CD1 3.75Å; F31-I33 HydrophobicContact CE2-CG1 4.22Å; I33-F278 HydrophobicContact CG2-CE2 4.02Å
34R88.1Confident88.9Confident92 Ų9266.7 Ų66.735%0.34739%0.394SS..  trans-120.8148.3-178.3-67.3174.6176.3-83.1-0110.4E46R34-E46 HydrophobicContact CB-CB 4.06Å; R34-E46 HydrophobicContact CB-CG 4.11Å; R34-E46 WeakPolarHBondContact CB-OE2 3.46Å; R34-E46 VanDerWaalsContact CD-OE2 3.23Å; R34-E46 WeakPolarHBondContact CD-OE2 3.34Å; R34-E46 WeakPolarHBondContact CG-OE2 3.47Å; R34-E46 IonicContact CZ-OE2 3.49Å; R34-E46 IonicContact NE-OE2 2.71Å; R34-E46 IonicContact NH1-OE2 3.29Å; R34-E46 PolarHBondContact NH1-OE2 3.35Å
35N86.9Confident88.9Confident100 Ų10070.5 Ų70.554%0.53541%0.409SS..  trans-101.4112.5179.6179.612.4000110G37 F278N35-G37 PolarHBondContact O-N 3.08Å; N35-G37 VanDerWaalsContact O-N 3.08Å; N35-G37 PolarHBondContact OD1-N 3.01Å; N35-F278 HydrophobicContact CB-CE1 4.14Å; N35-F278 HydrophobicContact CB-CZ 4.17Å
36S86.8Confident89.1Confident20 Ų2069.7 Ų69.714%0.1440%0.399CS..  trans-67.1-717759.80000114.2D38 S39 G42 A43 D75S36-D38 PolarHBondContact O-N 3.11Å; S36-D38 VanDerWaalsContact O-N 3.12Å; S36-S39 PolarHBondContact O-N 3.45Å; S36-G42 CarbonylContact O-C 3.54Å; S36-G42 WeakPolarHBondContact O-CA 3.41Å; S36-A43 PolarHBondContact O-N 3.2Å; S36-D75 WeakPolarHBondContact CB-OD2 3.45Å; S36-D75 PolarHBondContact OG-OD2 3.27Å
37G86.1Confident89.4Confident48 Ų4861.3 Ų61.350%0.49536%0.355SS..THydrogen-bonded Turntrans64.916.6179.500000113.1N35 S39N35-G37 PolarHBondContact O-N 3.08Å; N35-G37 VanDerWaalsContact O-N 3.08Å; N35-G37 PolarHBondContact OD1-N 3.01Å; G37-S39 PolarHBondContact O-N 3.38Å
38D82.8Confident89.5Confident95 Ų9562.4 Ų62.451%0.50836%0.359SS..THydrogen-bonded Turntrans5140.8-174.5-153.346.2000112.2S36 R77S36-D38 PolarHBondContact O-N 3.11Å; S36-D38 VanDerWaalsContact O-N 3.12Å; D38-R77 PolarHBondContact O-NH2 3.46Å; D38-R77 IonicContact OD1-CZ 3.5Å; D38-R77 IonicContact OD1-NE 3.78Å; D38-R77 PolarHBondContact OD1-NE 2.82Å; D38-R77 IonicContact OD1-NH1 2.88Å; D38-R77 IonicContact OD1-NH2 3.75Å; D38-R77 PolarHBondContact OD1-NH2 3.32Å; D38-R77 IonicContact OD2-CZ 3.14Å; D38-R77 IonicContact OD2-NE 2.77Å; D38-R77 IonicContact OD2-NH1 2.85Å; D38-R77 PolarHBondContact OD2-NH1 3.11Å; D38-R77 IonicContact OD2-NH2 2.69Å; D38-R77 PolarHBondContact OD2-NH2 3.36Å; D38-R77 VanDerWaalsContact OD2-NH2 3.16Å
39S89.6Confident89.4Confident47 Ų4756.9 Ų56.933%0.32933%0.326SS..SBendtrans-142.7147.2178.273.40000111.3S36 G37 H41 G42 A43S36-S39 PolarHBondContact O-N 3.45Å; G37-S39 PolarHBondContact O-N 3.38Å; S39-H41 PolarHBondContact O-N 3.16Å; S39-G42 PolarHBondContact O-N 3.43Å; S39-G42 PolarHBondContact OG-N 2.99Å; S39-A43 WeakPolarHBondContact O-CB 3.4Å; S39-A43 PolarHBondContact O-N 2.86Å
40A88.8Confident89.1Confident44 Ų4457.1 Ų57.136%0.36433%0.326SS..Hα-helixtrans-61.8-35.9178.700000111.7L44 L80A40-L44 WeakPolarHBondContact O-CB 3.34Å; A40-L44 VanDerWaalsContact O-CG 3.31Å; A40-L44 WeakPolarHBondContact O-CG 3.11Å; A40-L44 PolarHBondContact O-N 3.46Å; A40-L80 HydrophobicContact CB-CD2 4.36Å
41H90.5Very high88.9Confident147 Ų14755.2 Ų55.268%0.68130%0.299SS*.Hα-helixtrans-63.7-51.1175.6179.770.1000111.9S39 A43 L44 Y45S39-H41 PolarHBondContact O-N 3.16Å; H41-A43 PolarHBondContact O-N 2.93Å; H41-L44 PolarHBondContact O-N 3.48Å; H41-Y45 WeakPolarHBondContact O-CB 3.42Å; H41-Y45 PolarHBondContact O-N 3.3Å
42G91.4Very high88.5Confident14 Ų1450.9 Ų50.914%0.14428%0.281CS..Hα-helixtrans-62.7-42.1178.100000112.5S36 S39 L44 Y45 E46S36-G42 CarbonylContact O-C 3.54Å; S36-G42 WeakPolarHBondContact O-CA 3.41Å; S39-G42 PolarHBondContact O-N 3.43Å; S39-G42 PolarHBondContact OG-N 2.99Å; G42-L44 PolarHBondContact O-N 3.46Å; G42-Y45 PolarHBondContact O-N 3.49Å; G42-E46 WeakPolarHBondContact O-CB 3.49Å; G42-E46 WeakPolarHBondContact O-CG 3.34Å; G42-E46 PolarHBondContact O-N 3.05Å
43A92.3Very high88Confident1 Ų149 Ų491%0.00827%0.274CS..Hα-helixtrans-58.2-45.617500000112.3S36 S39 H41 T47 L80 M84S36-A43 PolarHBondContact O-N 3.2Å; S39-A43 WeakPolarHBondContact O-CB 3.4Å; S39-A43 PolarHBondContact O-N 2.86Å; H41-A43 PolarHBondContact O-N 2.93Å; A43-T47 VanDerWaalsContact O-CB 3.29Å; A43-T47 WeakPolarHBondContact O-CB 3.18Å; A43-T47 PolarHBondContact O-N 2.9Å; A43-T47 PolarHBondContact O-OG1 2.99Å; A43-L80 HydrophobicContact CB-CB 4.28Å; A43-L80 HydrophobicContact CB-CD2 4.5Å; A43-M84 HydrophobicContact CB-CG 3.98Å; A43-M84 HydrophobicContact CB-SD 3.97Å
44L91.7Very high87.2Confident51 Ų5148.5 Ų48.527%0.26727%0.27SS..Hα-helixtrans-66.7-43.9176.5-76.6170.6000112A40 H41 G42 T47 M48 S83 L87A40-L44 WeakPolarHBondContact O-CB 3.34Å; A40-L44 VanDerWaalsContact O-CG 3.31Å; A40-L44 WeakPolarHBondContact O-CG 3.11Å; A40-L44 PolarHBondContact O-N 3.46Å; H41-L44 PolarHBondContact O-N 3.48Å; G42-L44 PolarHBondContact O-N 3.46Å; L44-T47 PolarHBondContact O-N 3.28Å; L44-M48 VanDerWaalsContact O-CG 3.3Å; L44-M48 WeakPolarHBondContact O-CG 3.4Å; L44-M48 PolarHBondContact O-N 3.41Å; L44-S83 WeakPolarHBondContact CD2-O 3.32Å; L44-L87 HydrophobicContact CD2-CB 4.18Å; L44-L87 HydrophobicContact CD2-CD2 4.17Å
45Y91.1Very high86.3Confident89 Ų8951.9 Ų51.935%0.34929%0.29SS..Hα-helixtrans-57.7-51.5178.6-175-88.3000111.1H41 G42 T47 M48 G49 E55 P57H41-Y45 WeakPolarHBondContact O-CB 3.42Å; H41-Y45 PolarHBondContact O-N 3.3Å; G42-Y45 PolarHBondContact O-N 3.49Å; Y45-T47 VanDerWaalsContact C-N 3.34Å; Y45-T47 PolarHBondContact O-N 3.26Å; Y45-M48 PolarHBondContact O-N 3.42Å; Y45-G49 PolarHBondContact O-N 3.47Å; Y45-E55 PolarHBondContact OH-O 3.47Å; Y45-P57 HydrophobicContact CD2-CG 3.97Å; Y45-P57 HydrophobicContact CE2-CG 3.77Å; Y45-P57 VanDerWaalsContact CZ-CD 3.45Å; Y45-P57 WeakPolarHBondContact OH-CD 3.46Å
46E91Very high85.9Confident49 Ų4954.2 Ų54.223%0.22930%0.297CS..Hα-helixtrans-65.9-35.2178.2-68.2-57.1152.400112.7R34 G42 G49 F50R34-E46 HydrophobicContact CB-CB 4.06Å; R34-E46 HydrophobicContact CB-CG 4.11Å; R34-E46 WeakPolarHBondContact CB-OE2 3.46Å; R34-E46 VanDerWaalsContact CD-OE2 3.23Å; R34-E46 WeakPolarHBondContact CD-OE2 3.34Å; R34-E46 WeakPolarHBondContact CG-OE2 3.47Å; R34-E46 IonicContact CZ-OE2 3.49Å; R34-E46 IonicContact NE-OE2 2.71Å; R34-E46 IonicContact NH1-OE2 3.29Å; R34-E46 PolarHBondContact NH1-OE2 3.35Å; G42-E46 WeakPolarHBondContact O-CB 3.49Å; G42-E46 WeakPolarHBondContact O-CG 3.34Å; G42-E46 PolarHBondContact O-N 3.05Å; E46-G49 PolarHBondContact O-N 2.92Å; E46-F50 WeakPolarHBondContact O-CB 3.34Å; E46-F50 PolarHBondContact O-N 3.21Å
47T91.8Very high85.5Confident2 Ų254.6 Ų54.61%0.01230%0.299CS..Hα-helixtrans-65.8-41.7175-590000111.3A43 L44 Y45 F50 L51 L72 M84 L87 L88A43-T47 VanDerWaalsContact O-CB 3.29Å; A43-T47 WeakPolarHBondContact O-CB 3.18Å; A43-T47 PolarHBondContact O-N 2.9Å; A43-T47 PolarHBondContact O-OG1 2.99Å; L44-T47 PolarHBondContact O-N 3.28Å; Y45-T47 VanDerWaalsContact C-N 3.34Å; Y45-T47 PolarHBondContact O-N 3.26Å; T47-F50 WeakPolarHBondContact O-CB 3.48Å; T47-F50 PolarHBondContact O-N 3.34Å; T47-L51 HydrophobicContact CG2-CD1 4.37Å; T47-L51 WeakPolarHBondContact O-CG 3.35Å; T47-L51 PolarHBondContact O-N 2.99Å; T47-L72 HydrophobicContact CG2-CD1 4.18Å; T47-M84 WeakPolarHBondContact OG1-CE 3.35Å; T47-M84 WeakPolarHBondContact OG1-CG 3.34Å; T47-L87 HydrophobicContact CG2-CD2 3.86Å; T47-L88 HydrophobicContact CG2-CD1 4.07Å; T47-L88 HydrophobicContact CG2-CD2 3.77Å; T47-L88 HydrophobicContact CG2-CG 3.8Å
48M88.6Confident85.1Confident67 Ų6756.5 Ų56.533%0.3330%0.297SS..Hα-helixtrans-67.1-41.1174.8-68.8180-177.200111.2L44 Y45 F50 L51 T52 P57 L87L44-M48 VanDerWaalsContact O-CG 3.3Å; L44-M48 WeakPolarHBondContact O-CG 3.4Å; L44-M48 PolarHBondContact O-N 3.41Å; Y45-M48 PolarHBondContact O-N 3.42Å; M48-F50 VanDerWaalsContact C-N 3.29Å; M48-F50 PolarHBondContact O-N 2.7Å; M48-L51 PolarHBondContact O-N 2.84Å; M48-T52 WeakPolarHBondContact O-CB 3.26Å; M48-T52 VanDerWaalsContact O-CG2 3.26Å; M48-T52 WeakPolarHBondContact O-CG2 3.48Å; M48-T52 PolarHBondContact O-N 3.19Å; M48-T52 PolarHBondContact O-OG1 3.36Å; M48-P57 HydrophobicContact CB-CB 3.48Å; M48-P57 VanDerWaalsContact CB-CB 3.48Å; M48-P57 HydrophobicContact CB-CG 4.03Å; M48-L87 HydrophobicContact CE-CD1 4.23Å; M48-L87 HydrophobicContact CE-CD2 3.92Å; M48-L87 HydrophobicContact CG-CD2 3.46Å; M48-L87 VanDerWaalsContact CG-CD2 3.46Å
49G87.3Confident84.6Confident1 Ų156.5 Ų56.51%0.0130%0.303CS..Hα-helixtrans-61-40.6175.600000111.6Y45 E46 T52 G53 Q54Y45-G49 PolarHBondContact O-N 3.47Å; E46-G49 PolarHBondContact O-N 2.92Å; G49-T52 PolarHBondContact O-OG1 3.42Å; G49-G53 PolarHBondContact O-N 3.39Å; G49-Q54 CarbonylContact C-O 3.42Å; G49-Q54 WeakPolarHBondContact CA-O 3.49Å; G49-Q54 PolarHBondContact O-N 3.09Å
50F87.3Confident83.8Confident30 Ų3061.3 Ų61.313%0.13232%0.324CS..Hα-helixtrans-58.9-56.7170.9177.9-96.6000111.3E46 T47 M48 T52 G53 Q69 L72 F93E46-F50 WeakPolarHBondContact O-CB 3.34Å; E46-F50 PolarHBondContact O-N 3.21Å; T47-F50 WeakPolarHBondContact O-CB 3.48Å; T47-F50 PolarHBondContact O-N 3.34Å; M48-F50 VanDerWaalsContact C-N 3.29Å; M48-F50 PolarHBondContact O-N 2.7Å; F50-T52 VanDerWaalsContact C-N 3.29Å; F50-T52 PolarHBondContact O-N 2.67Å; F50-G53 PolarHBondContact O-N 3.27Å; F50-Q69 HydrophobicContact CE1-CB 4.25Å; F50-Q69 HydrophobicContact CE2-CG 4.27Å; F50-Q69 HydrophobicContact CZ-CB 3.84Å; F50-Q69 HydrophobicContact CZ-CG 4.06Å; F50-Q69 VanDerWaalsContact O-CD 3.3Å; F50-Q69 PolarHBondContact O-NE2 3.27Å; F50-Q69 PolarHBondContact O-OE1 2.82Å; F50-L72 HydrophobicContact CD1-CD1 4.11Å; F50-L72 HydrophobicContact CE1-CB 4.43Å; F50-L72 HydrophobicContact CG-CD1 4.44Å; F50-F93 HydrophobicContact CE1-CD1 4.46Å; F50-F93 AromaticContact CE1-CE1 3.55Å; F50-F93 HydrophobicContact CE1-CE1 3.55Å; F50-F93 HydrophobicContact CE1-CE2 4.37Å; F50-F93 AromaticContact CE1-CZ 3.52Å; F50-F93 HydrophobicContact CE1-CZ 3.52Å; F50-F93 HydrophobicContact CZ-CE1 4.19Å; F50-F93 HydrophobicContact CZ-CZ 4.04Å
51L86.4Confident83.1Confident28 Ų2864.7 Ų64.715%0.14733%0.329CS..Hα-helixtrans-59.6-34.8-177.9-71.6172000114T47 M48 L87 L88 Y91 F93T47-L51 HydrophobicContact CG2-CD1 4.37Å; T47-L51 WeakPolarHBondContact O-CG 3.35Å; T47-L51 PolarHBondContact O-N 2.99Å; M48-L51 PolarHBondContact O-N 2.84Å; L51-L87 HydrophobicContact CD1-CD2 4.24Å; L51-L87 HydrophobicContact CD1-CG 4.18Å; L51-L88 HydrophobicContact CD1-CD2 4.05Å; L51-L88 HydrophobicContact CD2-CD2 3.93Å; L51-L88 HydrophobicContact CG-CD2 4.18Å; L51-Y91 HydrophobicContact CD1-CD2 3.94Å; L51-Y91 HydrophobicContact CD1-CE2 4.13Å; L51-F93 HydrophobicContact CD2-CB 4.32Å; L51-F93 HydrophobicContact CD2-CD2 3.71Å; L51-F93 HydrophobicContact CD2-CE2 4.2Å; L51-F93 HydrophobicContact CD2-CG 3.93Å
52T83.1Confident82.2Confident10 Ų1062.5 Ų62.56%0.06133%0.326CS..Hα-helixtrans-86.5-19.6-177.956.90000112.9M48 G49 F50 Q54 I58 Y61 C63M48-T52 WeakPolarHBondContact O-CB 3.26Å; M48-T52 VanDerWaalsContact O-CG2 3.26Å; M48-T52 WeakPolarHBondContact O-CG2 3.48Å; M48-T52 PolarHBondContact O-N 3.19Å; M48-T52 PolarHBondContact O-OG1 3.36Å; G49-T52 PolarHBondContact O-OG1 3.42Å; F50-T52 VanDerWaalsContact C-N 3.29Å; F50-T52 PolarHBondContact O-N 2.67Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; T52-I58 WeakPolarHBondContact CG2-O 3.47Å; T52-Y61 WeakPolarHBondContact CB-O 3.42Å; T52-Y61 WeakPolarHBondContact CG2-O 3.33Å; T52-C63 PolarHBondContact O-N 3.42Å; T52-C63 VanDerWaalsContact O-N 3.12Å
53G77.3Confident81Confident34 Ų3464.8 Ų64.835%0.35134%0.339SS..THydrogen-bonded Turntrans74.416.9-173.900000114.1G49 F50G49-G53 PolarHBondContact O-N 3.39Å; F50-G53 PolarHBondContact O-N 3.27Å
54Q72.1Confident79.5Confident49 Ų4968.5 Ų68.523%0.22936%0.356CS..SBendtrans-124.7154.6-177.7-64.1-165.8-30.800111.7G49 T52 E56 C63G49-Q54 CarbonylContact C-O 3.42Å; G49-Q54 WeakPolarHBondContact CA-O 3.49Å; G49-Q54 PolarHBondContact O-N 3.09Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; Q54-E56 WeakPolarHBondContact CB-O 3.38Å; Q54-C63 HydrophobicContact CG-CB 3.84Å
55E70.1Confident77.9Confident163 Ų16376.3 Ų76.376%0.76239%0.391SS*.SBendtrans-71.5-32.6172.4-69.5-172.516600112.2Y45Y45-E55 PolarHBondContact OH-O 3.47Å
56E78.4Confident76.6Confident150 Ų15074.9 Ų74.970%0.70140%0.404SS*.SBendtrans-103.1106.4170.2-69.9-172.7172.400109.2Q54 I58Q54-E56 WeakPolarHBondContact CB-O 3.38Å; E56-I58 PolarHBondContact O-N 3.23Å
57P77.5Confident75.6Confident28 Ų2877 Ų7718%0.18242%0.423CS..  trans-72.8123.4-173.125.2-31.2000112.4Y45 M48Y45-P57 HydrophobicContact CD2-CG 3.97Å; Y45-P57 HydrophobicContact CE2-CG 3.77Å; Y45-P57 VanDerWaalsContact CZ-CD 3.45Å; Y45-P57 WeakPolarHBondContact OH-CD 3.46Å; M48-P57 HydrophobicContact CB-CB 3.48Å; M48-P57 VanDerWaalsContact CB-CB 3.48Å; M48-P57 HydrophobicContact CB-CG 4.03Å
58I77.5Confident75Confident87 Ų8779 Ų7945%0.44644%0.437SS..  trans-107.6112.5170.8-56.5174.8000108.8T52 E56 N60 Y61T52-I58 WeakPolarHBondContact CG2-O 3.47Å; E56-I58 PolarHBondContact O-N 3.23Å; I58-N60 PolarHBondContact O-N 3.09Å; I58-Y61 HydrophobicContact CB-CD1 4.39Å; I58-Y61 HydrophobicContact CD1-CD1 4.36Å; I58-Y61 PolarHBondContact O-N 3.32Å
59P74.1Confident74.9Confident96 Ų9678.1 Ų78.162%0.62343%0.432SS*.THydrogen-bonded Turntrans-55.3139.3-179.2-25.734000112.9Y61P59-Y61 PolarHBondContact O-N 2.87Å; P59-Y61 VanDerWaalsContact O-N 3.15Å
60N71.5Confident75Confident147 Ų14779.1 Ų79.179%0.78644%0.44SS*.THydrogen-bonded Turntrans60.111.4-178.1-64-23.1000116.1I58 Y91I58-N60 PolarHBondContact O-N 3.09Å; N60-Y91 PolarHBondContact OD1-OH 3.35Å
61Y75.3Confident75.2Confident115 Ų11578.6 Ų78.645%0.45144%0.441SS..  trans-114.5123.2173.6-178.4-103.5000109.8T52 I58 P59 C63T52-Y61 WeakPolarHBondContact CB-O 3.42Å; T52-Y61 WeakPolarHBondContact CG2-O 3.33Å; I58-Y61 HydrophobicContact CB-CD1 4.39Å; I58-Y61 HydrophobicContact CD1-CD1 4.36Å; I58-Y61 PolarHBondContact O-N 3.32Å; P59-Y61 PolarHBondContact O-N 2.87Å; P59-Y61 VanDerWaalsContact O-N 3.15Å; Y61-C63 HydrophobicContact CD1-CB 4.46Å; Y61-C63 HydrophobicContact CE1-CB 3.78Å
62T69.8Low75.6Confident101 Ų10178.3 Ų78.362%0.6244%0.44SS*.  trans-114.5114.6177.544.80000109.6
63C66.8Low76.2Confident63 Ų6379.4 Ų79.443%0.42645%0.446SS..  trans-101.472.9176.3-173.70000108.8T52 Q54 Y61T52-C63 PolarHBondContact O-N 3.42Å; T52-C63 VanDerWaalsContact O-N 3.12Å; Q54-C63 HydrophobicContact CG-CB 3.84Å; Y61-C63 HydrophobicContact CD1-CB 4.46Å; Y61-C63 HydrophobicContact CE1-CB 3.78Å
64Q61.3Low76.8Confident79 Ų7977.9 Ų77.937%0.36943%0.431SS..  trans-125.1111.8-179-69.8-169.47.500112.4Q69Q64-Q69 VanDerWaalsContact NE2-CD 3.33Å
65H57.7Low77.7Confident214 Ų21476.5 Ų76.599%0.99143%0.425SS*.  trans-10332160.8-90.7-59.7000110.7
66G63.6Low78.3Confident60 Ų6070.1 Ų70.162%0.61940%0.397SS*.SBendtrans-130.5-177.6-17100000114.9
67S71.5Confident78.5Confident92 Ų9267.5 Ų67.564%0.64338%0.381SS*.PPolyproline II helixtrans-58.9148.6179.7-55.80000113
68P79.1Confident79Confident46 Ų4667.3 Ų67.330%0.29938%0.38SS..PPolyproline II helixtrans-63.8140.6-178.529.8-39.4000112.1Q355 F357P68-Q355 WeakPolarHBondContact CD-O 3.44Å; P68-Q355 HydrophobicContact CG-CB 4.35Å; P68-Q355 VanDerWaalsContact CG-O 3.24Å; P68-Q355 WeakPolarHBondContact CG-O 3.1Å; P68-F357 HydrophobicContact CB-CE1 4.14Å; P68-F357 HydrophobicContact CB-CZ 4.45Å; P68-F357 HydrophobicContact CG-CD1 4.44Å; P68-F357 HydrophobicContact CG-CE1 3.89Å
69Q85.8Confident79.4Confident47 Ų4766.7 Ų66.722%0.2238%0.384CS..PPolyproline II helixtrans-82.6118.5172-66.4-178.4-15.200110.4F50 Q64 F93F50-Q69 HydrophobicContact CE1-CB 4.25Å; F50-Q69 HydrophobicContact CE2-CG 4.27Å; F50-Q69 HydrophobicContact CZ-CB 3.84Å; F50-Q69 HydrophobicContact CZ-CG 4.06Å; F50-Q69 VanDerWaalsContact O-CD 3.3Å; F50-Q69 PolarHBondContact O-NE2 3.27Å; F50-Q69 PolarHBondContact O-OE1 2.82Å; Q64-Q69 VanDerWaalsContact NE2-CD 3.33Å; Q69-F93 HydrophobicContact CB-CE2 4.21Å; Q69-F93 HydrophobicContact CB-CZ 3.86Å; Q69-F93 WeakPolarHBondContact O-CZ 3.18Å
70A88.3Confident80.3Confident23 Ų2362.2 Ų62.219%0.1936%0.355CS..  trans-79.9-63.1-174.700000113P94 I334 L338 F357 L362A70-P94 VanDerWaalsContact O-CG 3.31Å; A70-P94 WeakPolarHBondContact O-CG 3.33Å; A70-I334 HydrophobicContact CB-CG2 4.43Å; A70-L338 HydrophobicContact CB-CD1 4.21Å; A70-L338 HydrophobicContact CB-CD2 4.46Å; A70-F357 HydrophobicContact CB-CE2 4.49Å; A70-F357 HydrophobicContact CB-CZ 3.91Å; A70-L362 HydrophobicContact CB-CD2 3.8Å; A70-L362 WeakPolarHBondContact O-CD2 3.44Å
71A93.3Very high81.3Confident18 Ų1855.2 Ų55.215%0.14932%0.317CS..  trans-155.3159.9-171.700000110.6P94 I334 L362A71-P94 HydrophobicContact CB-CB 4.26Å; A71-P94 HydrophobicContact CB-CG 3.83Å; A71-I334 HydrophobicContact CB-CD1 3.64Å; A71-I334 HydrophobicContact CB-CG1 3.86Å; A71-I334 HydrophobicContact CB-CG2 4.13Å; A71-L362 HydrophobicContact CB-CD2 4.44Å
72L94.8Very high82.2Confident22 Ų2250.9 Ų50.912%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-105.7128.4174.1-170.2150.6000109.6T47 F50 M84 L88 P94 Q95 V96T47-L72 HydrophobicContact CG2-CD1 4.18Å; F50-L72 HydrophobicContact CD1-CD1 4.11Å; F50-L72 HydrophobicContact CE1-CB 4.43Å; F50-L72 HydrophobicContact CG-CD1 4.44Å; L72-M84 HydrophobicContact CD1-CE 4.05Å; L72-M84 HydrophobicContact CD2-CE 3.32Å; L72-M84 HydrophobicContact CG-CE 4.34Å; L72-L88 HydrophobicContact CB-CD1 4.33Å; L72-L88 HydrophobicContact CD1-CD1 4.24Å; L72-L88 HydrophobicContact CD2-CD1 4.48Å; L72-P94 PolarHBondContact N-O 2.82Å; L72-Q95 HydrophobicContact CD2-CG 4.23Å; L72-Q95 CarbonylContact O-C 3.48Å; L72-Q95 WeakPolarHBondContact O-CA 3.17Å; L72-V96 PolarHBondContact O-N 2.86Å
73V94.9Very high83.4Confident33 Ų3347.5 Ų47.520%0.228%0.283CS..EExtended strand (participates in β ladder)trans-102127.6175.9176.80000110.2F10 V96 Y98 A327 A330 I334F10-V73 HydrophobicContact CD2-CB 4.05Å; F10-V73 HydrophobicContact CD2-CG1 4.07Å; F10-V73 HydrophobicContact CD2-CG2 4.25Å; F10-V73 HydrophobicContact CE2-CB 3.83Å; F10-V73 HydrophobicContact CE2-CG1 4.35Å; F10-V73 HydrophobicContact CE2-CG2 3.73Å; V73-V96 VanDerWaalsContact CA-O 3.31Å; V73-V96 WeakPolarHBondContact CA-O 3.46Å; V73-Y98 HydrophobicContact CG1-CD1 3.71Å; V73-Y98 HydrophobicContact CG1-CE1 4.09Å; V73-A327 HydrophobicContact CG1-CB 4.44Å; V73-A330 HydrophobicContact CG1-CB 3.87Å; V73-A330 HydrophobicContact CG2-CB 4.31Å; V73-I334 HydrophobicContact CG2-CD1 3.41Å; V73-I334 VanDerWaalsContact CG2-CD1 3.41Å
74G90.3Very high84.7Confident3 Ų345 Ų453%0.03127%0.265CS..  trans120.2-174.7-175.900000113.5Q95 V96G74-Q95 VanDerWaalsContact O-CG 3.3Å; G74-Q95 WeakPolarHBondContact O-CG 3.4Å; G74-Q95 PolarHBondContact O-NE2 2.94Å; G74-V96 PolarHBondContact N-O 3.23Å
75D89.4Confident86.3Confident19 Ų1941.4 Ų41.410%0.10225%0.249CC..  cis-92.3178.4-5.5-156.2-41.4000110S36 L80 S81 M84 S97 S100S36-D75 WeakPolarHBondContact CB-OD2 3.45Å; S36-D75 PolarHBondContact OG-OD2 3.27Å; D75-L80 HydrophobicContact CB-CB 4.03Å; D75-L80 WeakPolarHBondContact OD2-CD1 3.19Å; D75-S81 PolarHBondContact N-OG 3.16Å; D75-S81 PolarHBondContact O-OG 3.47Å; D75-S81 VanDerWaalsContact O-OG 3.13Å; D75-M84 HydrophobicContact CB-SD 3.72Å; D75-S97 PolarHBondContact O-OG 3.18Å; D75-S100 PolarHBondContact O-OG 3.39Å
76T83Confident88.1Confident29 Ų2938.4 Ų38.418%0.17823%0.229CC..SBendtrans-71.7-51.6177.8-65.50000113.7W2 Y98 S99 S100W2-T76 HydrophobicContact CE3-CG2 4.29Å; W2-T76 HydrophobicContact CH2-CG2 3.19Å; W2-T76 WeakPolarHBondContact CH2-OG1 3.37Å; W2-T76 HydrophobicContact CZ2-CG2 4.31Å; W2-T76 HydrophobicContact CZ3-CG2 3.21Å; W2-T76 WeakPolarHBondContact CZ3-OG1 3.43Å; T76-Y98 WeakPolarHBondContact OG1-CE2 3.22Å; T76-Y98 PolarHBondContact OG1-OH 3.26Å; T76-S99 CarbonylContact O-C 3.53Å; T76-S100 PolarHBondContact O-OG 3.34Å
77R83.3Confident89.5Confident95 Ų9536.6 Ų36.636%0.35821%0.205SC..SBendtrans-85.1128.7-176.6-69.8-166.4-57.2178.78.2109.3D38 S79 L80 S81D38-R77 PolarHBondContact O-NH2 3.46Å; D38-R77 IonicContact OD1-CZ 3.5Å; D38-R77 IonicContact OD1-NE 3.78Å; D38-R77 PolarHBondContact OD1-NE 2.82Å; D38-R77 IonicContact OD1-NH1 2.88Å; D38-R77 IonicContact OD1-NH2 3.75Å; D38-R77 PolarHBondContact OD1-NH2 3.32Å; D38-R77 IonicContact OD2-CZ 3.14Å; D38-R77 IonicContact OD2-NE 2.77Å; D38-R77 IonicContact OD2-NH1 2.85Å; D38-R77 PolarHBondContact OD2-NH1 3.11Å; D38-R77 IonicContact OD2-NH2 2.69Å; D38-R77 PolarHBondContact OD2-NH2 3.36Å; D38-R77 VanDerWaalsContact OD2-NH2 3.16Å; R77-S79 PolarHBondContact O-N 3.08Å; R77-S79 VanDerWaalsContact O-N 3.13Å; R77-L80 HydrophobicContact CB-CD1 4.29Å; R77-L80 HydrophobicContact CB-CG 4.06Å; R77-L80 WeakPolarHBondContact O-CB 3.37Å; R77-L80 PolarHBondContact O-N 3.4Å; R77-S81 PolarHBondContact O-N 2.98Å
78S88.4Confident90.6Very high25 Ų2532.2 Ų32.218%0.17517%0.174CC..Hα-helixtrans-54.5-35.8-179.6-56.70000113.4L80 S81 V82 S100 S101 L102S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 3.31Å; S78-S81 PolarHBondContact O-N 3.39Å; S78-V82 VanDerWaalsContact O-CG2 3.28Å; S78-V82 WeakPolarHBondContact O-CG2 3.46Å; S78-V82 PolarHBondContact O-N 3.25Å; S78-S100 WeakPolarHBondContact OG-CA 3.31Å; S78-S101 PolarHBondContact OG-N 3.25Å; S78-L102 VanDerWaalsContact CB-CB 3.47Å; S78-L102 PolarHBondContact OG-N 3.19Å
79S86.6Confident91.3Very high73 Ų7330.5 Ų30.551%0.5117%0.165SC..Hα-helixtrans-63.5-35.9177540000113.5R77 S83R77-S79 PolarHBondContact O-N 3.08Å; R77-S79 VanDerWaalsContact O-N 3.13Å; S79-S83 PolarHBondContact O-N 3.43Å; S79-S83 PolarHBondContact O-OG 2.89Å
80L91.1Very high91.6Very high3 Ų334.9 Ų34.92%0.01619%0.189CC..Hα-helixtrans-72.6-46.1175.3-55.9-173.3000110.2A40 A43 D75 R77 S78 V82 S83 M84A40-L80 HydrophobicContact CB-CD2 4.36Å; A43-L80 HydrophobicContact CB-CB 4.28Å; A43-L80 HydrophobicContact CB-CD2 4.5Å; D75-L80 HydrophobicContact CB-CB 4.03Å; D75-L80 WeakPolarHBondContact OD2-CD1 3.19Å; R77-L80 HydrophobicContact CB-CD1 4.29Å; R77-L80 HydrophobicContact CB-CG 4.06Å; R77-L80 WeakPolarHBondContact O-CB 3.37Å; R77-L80 PolarHBondContact O-N 3.4Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 3.31Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 2.83Å; L80-S83 WeakPolarHBondContact O-CB 3.34Å; L80-S83 PolarHBondContact O-N 3.38Å; L80-M84 WeakPolarHBondContact O-CG 3.46Å; L80-M84 PolarHBondContact O-N 3.4Å
81S94Very high91.6Very high0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-59.6-37176.3-70.80000113.2D75 R77 S78 S83 M84 A85 Q95 S100D75-S81 PolarHBondContact N-OG 3.16Å; D75-S81 PolarHBondContact O-OG 3.47Å; D75-S81 VanDerWaalsContact O-OG 3.13Å; R77-S81 PolarHBondContact O-N 2.98Å; S78-S81 PolarHBondContact O-N 3.39Å; S81-S83 VanDerWaalsContact C-N 3.3Å; S81-S83 PolarHBondContact O-N 2.86Å; S81-M84 PolarHBondContact O-N 3.25Å; S81-A85 WeakPolarHBondContact O-CB 3.49Å; S81-A85 PolarHBondContact O-N 3.32Å; S81-Q95 PolarHBondContact OG-NE2 3.44Å; S81-S100 WeakPolarHBondContact CB-OG 3.34Å; S81-S100 PolarHBondContact OG-OG 2.76Å
82V94.1Very high91.5Very high23 Ų2343.9 Ų43.914%0.13922%0.218CC..Hα-helixtrans-59.1-43.6173164.70000111.1S78 L80 R86 L102 L105 F111S78-V82 VanDerWaalsContact O-CG2 3.28Å; S78-V82 WeakPolarHBondContact O-CG2 3.46Å; S78-V82 PolarHBondContact O-N 3.25Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 2.83Å; V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 3.46Å; V82-L102 HydrophobicContact CG2-CD2 4.01Å; V82-L105 HydrophobicContact CB-CD2 4.48Å; V82-L105 HydrophobicContact CG2-CD1 4.43Å; V82-L105 HydrophobicContact CG2-CD2 3.68Å; V82-L105 HydrophobicContact CG2-CG 4.02Å; V82-F111 HydrophobicContact CB-CE1 4.46Å; V82-F111 HydrophobicContact CG1-CE1 4.05Å; V82-F111 HydrophobicContact CG1-CZ 4.02Å; V82-F111 HydrophobicContact CG2-CZ 4.23Å
83S93.7Very high91.5Very high30 Ų3043.3 Ų43.321%0.2122%0.215CC..Hα-helixtrans-65.5-46.5-179.8-560000110.9L44 S79 L80 S81L44-S83 WeakPolarHBondContact CD2-O 3.32Å; S79-S83 PolarHBondContact O-N 3.43Å; S79-S83 PolarHBondContact O-OG 2.89Å; L80-S83 WeakPolarHBondContact O-CB 3.34Å; L80-S83 PolarHBondContact O-N 3.38Å; S81-S83 VanDerWaalsContact C-N 3.3Å; S81-S83 PolarHBondContact O-N 2.86Å
84M94.5Very high91.5Very high12 Ų1241.7 Ų41.76%0.05921%0.205CC..Hα-helixtrans-65.3-44.9178-61.8166.471.200112A43 T47 L72 D75 L80 S81 R86 L87 L88A43-M84 HydrophobicContact CB-CG 3.98Å; A43-M84 HydrophobicContact CB-SD 3.97Å; T47-M84 WeakPolarHBondContact OG1-CE 3.35Å; T47-M84 WeakPolarHBondContact OG1-CG 3.34Å; L72-M84 HydrophobicContact CD1-CE 4.05Å; L72-M84 HydrophobicContact CD2-CE 3.32Å; L72-M84 HydrophobicContact CG-CE 4.34Å; D75-M84 HydrophobicContact CB-SD 3.72Å; L80-M84 WeakPolarHBondContact O-CG 3.46Å; L80-M84 PolarHBondContact O-N 3.4Å; S81-M84 PolarHBondContact O-N 3.25Å; M84-R86 VanDerWaalsContact C-N 3.29Å; M84-R86 PolarHBondContact O-N 2.9Å; M84-L87 PolarHBondContact O-N 3.5Å; M84-L87 VanDerWaalsContact O-N 3.1Å; M84-L88 HydrophobicContact CB-CD1 4.33Å; M84-L88 WeakPolarHBondContact O-CB 3.44Å; M84-L88 WeakPolarHBondContact O-CG 3.29Å; M84-L88 PolarHBondContact O-N 2.9Å
85A95.8Very high91.8Very high2 Ų241.6 Ų41.62%0.01720%0.204CC..Hα-helixtrans-64.7-32-176.900000112.4S81 G89 Q95 L105 F111 F114S81-A85 WeakPolarHBondContact O-CB 3.49Å; S81-A85 PolarHBondContact O-N 3.32Å; A85-G89 WeakPolarHBondContact O-CA 3.27Å; A85-G89 PolarHBondContact O-N 3.39Å; A85-Q95 VanDerWaalsContact N-OE1 3.08Å; A85-L105 HydrophobicContact CB-CD2 4.4Å; A85-F111 HydrophobicContact CB-CB 4.5Å; A85-F111 HydrophobicContact CB-CD1 3.6Å; A85-F111 HydrophobicContact CB-CE1 4.27Å; A85-F111 HydrophobicContact CB-CG 4.41Å; A85-F114 HydrophobicContact CB-CB 4.21Å; A85-F114 HydrophobicContact CB-CD2 4.03Å; A85-F114 HydrophobicContact CB-CG 4.48Å
86R94.7Very high92.1Very high151 Ų15140.7 Ų40.757%0.5720%0.199SC*.Hα-helixtrans-62.8-46.7172.2-77.6177.3174.9-178.1-1.3111.5V82 M84 F111V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 3.46Å; M84-R86 VanDerWaalsContact C-N 3.29Å; M84-R86 PolarHBondContact O-N 2.9Å; R86-F111 HydrophobicContact CG-CD1 4.45Å; R86-F111 HydrophobicContact CG-CE1 3.89Å
87L92.9Very high92.7Very high23 Ų2339.3 Ų39.312%0.1219%0.191CC..Hα-helixtrans-66.8-50.3178.8177.963000111.3L44 T47 M48 L51 M84 G89 L90 Y91L44-L87 HydrophobicContact CD2-CB 4.18Å; L44-L87 HydrophobicContact CD2-CD2 4.17Å; T47-L87 HydrophobicContact CG2-CD2 3.86Å; M48-L87 HydrophobicContact CE-CD1 4.23Å; M48-L87 HydrophobicContact CE-CD2 3.92Å; M48-L87 HydrophobicContact CG-CD2 3.46Å; M48-L87 VanDerWaalsContact CG-CD2 3.46Å; L51-L87 HydrophobicContact CD1-CD2 4.24Å; L51-L87 HydrophobicContact CD1-CG 4.18Å; M84-L87 PolarHBondContact O-N 3.5Å; M84-L87 VanDerWaalsContact O-N 3.1Å; L87-G89 PolarHBondContact O-N 2.66Å; L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 PolarHBondContact O-N 3.36Å; L87-Y91 HydrophobicContact CD1-CE2 3.99Å; L87-Y91 WeakPolarHBondContact O-CD2 3.41Å
88L94.5Very high93Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-65.5-28.6180-66.9168.1000112.2T47 L51 L72 M84 L90 Y91 K92 F93 Q95 S113T47-L88 HydrophobicContact CG2-CD1 4.07Å; T47-L88 HydrophobicContact CG2-CD2 3.77Å; T47-L88 HydrophobicContact CG2-CG 3.8Å; L51-L88 HydrophobicContact CD1-CD2 4.05Å; L51-L88 HydrophobicContact CD2-CD2 3.93Å; L51-L88 HydrophobicContact CG-CD2 4.18Å; L72-L88 HydrophobicContact CB-CD1 4.33Å; L72-L88 HydrophobicContact CD1-CD1 4.24Å; L72-L88 HydrophobicContact CD2-CD1 4.48Å; M84-L88 HydrophobicContact CB-CD1 4.33Å; M84-L88 WeakPolarHBondContact O-CB 3.44Å; M84-L88 WeakPolarHBondContact O-CG 3.29Å; M84-L88 PolarHBondContact O-N 2.9Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 2.88Å; L88-Y91 PolarHBondContact O-N 3.42Å; L88-K92 PolarHBondContact O-N 3.44Å; L88-K92 VanDerWaalsContact O-N 3.08Å; L88-F93 HydrophobicContact CB-CB 4.34Å; L88-F93 HydrophobicContact CD2-CB 3.83Å; L88-F93 HydrophobicContact CD2-CD1 3.9Å; L88-F93 HydrophobicContact CD2-CG 4.03Å; L88-F93 PolarHBondContact O-N 3.39Å; L88-Q95 HydrophobicContact CD1-CB 3.78Å; L88-Q95 HydrophobicContact CD1-CG 4.08Å; L88-S113 PolarHBondContact O-OG 3.24Å
89G94.3Very high92.9Very high10 Ų1036.6 Ų36.610%0.10318%0.182CC..Hα-helixtrans-58.3-40.917300000113.2A85 L87 Y91 K92 S113A85-G89 WeakPolarHBondContact O-CA 3.27Å; A85-G89 PolarHBondContact O-N 3.39Å; L87-G89 PolarHBondContact O-N 2.66Å; G89-Y91 VanDerWaalsContact C-N 3.29Å; G89-Y91 PolarHBondContact O-N 2.84Å; G89-K92 PolarHBondContact O-N 2.83Å; G89-K92 VanDerWaalsContact O-N 3.16Å; G89-S113 WeakPolarHBondContact CA-OG 3.34Å
90L91.5Very high93.1Very high139 Ų13933.1 Ų33.173%0.72816%0.158SC*.Hα-helixtrans-61.6-38.5179.1-62.7172.9000112L87 L88L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 PolarHBondContact O-N 3.36Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 2.88Å
91Y88.6Confident93Very high105 Ų10534 Ų3441%0.41217%0.165SC..THydrogen-bonded Turntrans-91.72.2180-60.8-79.3000113.5L51 N60 L87 L88 G89 F93L51-Y91 HydrophobicContact CD1-CD2 3.94Å; L51-Y91 HydrophobicContact CD1-CE2 4.13Å; N60-Y91 PolarHBondContact OD1-OH 3.35Å; L87-Y91 HydrophobicContact CD1-CE2 3.99Å; L87-Y91 WeakPolarHBondContact O-CD2 3.41Å; L88-Y91 PolarHBondContact O-N 3.42Å; G89-Y91 VanDerWaalsContact C-N 3.29Å; G89-Y91 PolarHBondContact O-N 2.84Å; Y91-F93 PolarHBondContact O-N 2.92Å
92K91.6Very high92.7Very high125 Ų12536.4 Ų36.454%0.54318%0.177SC..THydrogen-bonded Turntrans53.231.1-172.1-61.7-177.9-179.1177.30113.2L88 G89 S113 W360L88-K92 PolarHBondContact O-N 3.44Å; L88-K92 VanDerWaalsContact O-N 3.08Å; G89-K92 PolarHBondContact O-N 2.83Å; G89-K92 VanDerWaalsContact O-N 3.16Å; K92-S113 VanDerWaalsContact C-OG 3.26Å; K92-S113 WeakPolarHBondContact CA-OG 3.19Å; K92-W360 HydrophobicContact CB-CB 3.71Å; K92-W360 HydrophobicContact CD-CB 4.07Å
93F93.8Very high92.5Very high9 Ų935.9 Ų35.94%0.03917%0.174CC..  trans-87.1123-175.2-160.5-74.1000110.4F50 L51 Q69 L88 Y91 Q95 S113 P359F50-F93 HydrophobicContact CE1-CD1 4.46Å; F50-F93 AromaticContact CE1-CE1 3.55Å; F50-F93 HydrophobicContact CE1-CE1 3.55Å; F50-F93 HydrophobicContact CE1-CE2 4.37Å; F50-F93 AromaticContact CE1-CZ 3.52Å; F50-F93 HydrophobicContact CE1-CZ 3.52Å; F50-F93 HydrophobicContact CZ-CE1 4.19Å; F50-F93 HydrophobicContact CZ-CZ 4.04Å; L51-F93 HydrophobicContact CD2-CB 4.32Å; L51-F93 HydrophobicContact CD2-CD2 3.71Å; L51-F93 HydrophobicContact CD2-CE2 4.2Å; L51-F93 HydrophobicContact CD2-CG 3.93Å; Q69-F93 HydrophobicContact CB-CE2 4.21Å; Q69-F93 HydrophobicContact CB-CZ 3.86Å; Q69-F93 WeakPolarHBondContact O-CZ 3.18Å; L88-F93 HydrophobicContact CB-CB 4.34Å; L88-F93 HydrophobicContact CD2-CB 3.83Å; L88-F93 HydrophobicContact CD2-CD1 3.9Å; L88-F93 HydrophobicContact CD2-CG 4.03Å; L88-F93 PolarHBondContact O-N 3.39Å; Y91-F93 PolarHBondContact O-N 2.92Å; F93-Q95 PolarHBondContact O-N 3.29Å; F93-S113 PolarHBondContact N-OG 3.05Å; F93-S113 WeakPolarHBondContact O-CB 3.47Å; F93-P359 HydrophobicContact CB-CB 4.33Å; F93-P359 HydrophobicContact CD2-CB 3.5Å; F93-P359 VanDerWaalsContact CD2-CB 3.5Å; F93-P359 HydrophobicContact CD2-CG 3.4Å; F93-P359 HydrophobicContact CE2-CB 3.86Å; F93-P359 HydrophobicContact CE2-CG 3.48Å; F93-P359 VanDerWaalsContact CE2-CG 3.48Å; F93-P359 HydrophobicContact CG-CB 4.01Å; F93-P359 HydrophobicContact CG-CG 4.38Å
94P95.8Very high92.3Very high0 Ų036.7 Ų36.70%018%0.18CC..  trans-67.5126.9-172.224.5-30.2000111.9A70 A71 L72 L362 L363 L366A70-P94 VanDerWaalsContact O-CG 3.31Å; A70-P94 WeakPolarHBondContact O-CG 3.33Å; A71-P94 HydrophobicContact CB-CB 4.26Å; A71-P94 HydrophobicContact CB-CG 3.83Å; L72-P94 PolarHBondContact N-O 2.82Å; P94-L362 HydrophobicContact CG-CD2 4.33Å; P94-L363 HydrophobicContact CB-CB 4.24Å; P94-L363 HydrophobicContact CB-CD1 4.02Å; P94-L366 HydrophobicContact CB-CD2 3.97Å
95Q96.6Very high92.2Very high1 Ų136.1 Ų36.11%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-109.7124.4168.8-176.2-177.3-16.700108.9L72 G74 S81 A85 L88 F93 S113 F114 I115L72-Q95 HydrophobicContact CD2-CG 4.23Å; L72-Q95 CarbonylContact O-C 3.48Å; L72-Q95 WeakPolarHBondContact O-CA 3.17Å; G74-Q95 VanDerWaalsContact O-CG 3.3Å; G74-Q95 WeakPolarHBondContact O-CG 3.4Å; G74-Q95 PolarHBondContact O-NE2 2.94Å; S81-Q95 PolarHBondContact OG-NE2 3.44Å; A85-Q95 VanDerWaalsContact N-OE1 3.08Å; L88-Q95 HydrophobicContact CD1-CB 3.78Å; L88-Q95 HydrophobicContact CD1-CG 4.08Å; F93-Q95 PolarHBondContact O-N 3.29Å; Q95-S113 PolarHBondContact N-O 2.92Å; Q95-F114 HydrophobicContact CB-CD2 4.46Å; Q95-F114 HydrophobicContact CG-CD2 4.24Å; Q95-I115 PolarHBondContact O-N 3.35Å; Q95-I115 VanDerWaalsContact O-O 3.13Å
96V96.5Very high92.1Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-114.1101.5175.4-168.40000109.6L72 V73 G74 I115 T117 A330 I334 L366L72-V96 PolarHBondContact O-N 2.86Å; V73-V96 VanDerWaalsContact CA-O 3.31Å; V73-V96 WeakPolarHBondContact CA-O 3.46Å; G74-V96 PolarHBondContact N-O 3.23Å; V96-I115 CarbonylContact C-O 3.56Å; V96-I115 VanDerWaalsContact CA-O 3.32Å; V96-I115 WeakPolarHBondContact CA-O 3.42Å; V96-T117 HydrophobicContact CG1-CG2 3.91Å; V96-A330 HydrophobicContact CB-CB 4.23Å; V96-A330 HydrophobicContact CG1-CB 3.59Å; V96-I334 HydrophobicContact CB-CD1 4.34Å; V96-I334 HydrophobicContact CG2-CD1 3.98Å; V96-I334 HydrophobicContact CG2-CG1 3.94Å; V96-L366 HydrophobicContact CG2-CD2 3.64Å
97S94.6Very high92.1Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-86.7137178.5151.70000111.5D75 S99 S100 I115 R116 T117D75-S97 PolarHBondContact O-OG 3.18Å; S97-S99 PolarHBondContact OG-N 3Å; S97-S100 WeakPolarHBondContact OG-CB 3.36Å; S97-S100 PolarHBondContact OG-N 3.28Å; S97-S100 PolarHBondContact OG-OG 3.11Å; S97-I115 PolarHBondContact N-O 2.75Å; S97-R116 CarbonylContact O-C 3.59Å; S97-R116 WeakPolarHBondContact O-CA 2.77Å; S97-R116 VanDerWaalsContact O-CB 3.31Å; S97-R116 WeakPolarHBondContact O-CB 3.49Å; S97-T117 PolarHBondContact O-N 3.19Å
98Y89.9Confident92.1Very high26 Ų2633 Ų3310%0.10217%0.17CC..SBendtrans-96.6-6.1176.253.8-97.9000114.8W2 V6 V73 T76 A326 A327W2-Y98 HydrophobicContact CH2-CD2 4.5Å; W2-Y98 AromaticContact CH2-CE2 3.77Å; W2-Y98 HydrophobicContact CH2-CE2 3.77Å; W2-Y98 HydrophobicContact CZ3-CE2 4.42Å; V6-Y98 HydrophobicContact CB-CE2 4.47Å; V6-Y98 HydrophobicContact CG1-CD1 4.37Å; V6-Y98 HydrophobicContact CG1-CD2 4Å; V6-Y98 HydrophobicContact CG1-CE1 3.93Å; V6-Y98 HydrophobicContact CG1-CE2 3.52Å; V6-Y98 HydrophobicContact CG1-CG 4.41Å; V6-Y98 VanDerWaalsContact CG1-CZ 3.49Å; V6-Y98 HydrophobicContact CG2-CE2 4.39Å; V73-Y98 HydrophobicContact CG1-CD1 3.71Å; V73-Y98 HydrophobicContact CG1-CE1 4.09Å; T76-Y98 WeakPolarHBondContact OG1-CE2 3.22Å; T76-Y98 PolarHBondContact OG1-OH 3.26Å; Y98-A326 WeakPolarHBondContact CB-O 3.34Å; Y98-A326 HydrophobicContact CD2-CB 3.88Å; Y98-A326 HydrophobicContact CG-CB 4.35Å; Y98-A327 HydrophobicContact CD1-CB 4.24Å
99S86.7Confident92.1Very high37 Ų3740.5 Ų40.526%0.25921%0.209SC..SBendtrans-147.1-6.6-177.2-1770000116.1T76 S97 S101T76-S99 CarbonylContact O-C 3.53Å; S97-S99 PolarHBondContact OG-N 3Å; S99-S101 PolarHBondContact O-N 2.94Å
100S89.8Confident92Very high0 Ų044.9 Ų44.90%023%0.227CC..  trans-77.8105.7178.8-60.50000112D75 T76 S78 S81 S97 R116D75-S100 PolarHBondContact O-OG 3.39Å; T76-S100 PolarHBondContact O-OG 3.34Å; S78-S100 WeakPolarHBondContact OG-CA 3.31Å; S81-S100 WeakPolarHBondContact CB-OG 3.34Å; S81-S100 PolarHBondContact OG-OG 2.76Å; S97-S100 WeakPolarHBondContact OG-CB 3.36Å; S97-S100 PolarHBondContact OG-N 3.28Å; S97-S100 PolarHBondContact OG-OG 3.11Å; S100-R116 VanDerWaalsContact O-CD 3.25Å; S100-R116 WeakPolarHBondContact O-CD 3.27Å; S100-R116 PolarHBondContact O-NH1 3.27Å
101S88.4Confident92.3Very high22 Ų2238.4 Ų38.415%0.15419%0.193CC..  trans-99-4.1-171.9590000114.9S78 S99 R116 D121S78-S101 PolarHBondContact OG-N 3.25Å; S99-S101 PolarHBondContact O-N 2.94Å; S101-R116 PolarHBondContact O-NH1 3.21Å; S101-R116 VanDerWaalsContact O-NH1 3.14Å; S101-D121 VanDerWaalsContact CB-OD1 3.31Å; S101-D121 WeakPolarHBondContact CB-OD1 3.4Å; S101-D121 WeakPolarHBondContact CB-OD2 3.06Å; S101-D121 PolarHBondContact O-N 3.45Å; S101-D121 PolarHBondContact OG-OD1 3.31Å; S101-D121 PolarHBondContact OG-OD2 2.93Å
102L88.4Confident92.6Very high50 Ų5035.2 Ų35.226%0.26219%0.185SC..  trans-56.8131.6-175.2-174.469.8000111.4S78 V82 S104 L105 R116S78-L102 VanDerWaalsContact CB-CB 3.47Å; S78-L102 PolarHBondContact OG-N 3.19Å; V82-L102 HydrophobicContact CG2-CD2 4.01Å; L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 VanDerWaalsContact CD2-OG 3.23Å; L102-S104 WeakPolarHBondContact CD2-OG 3.42Å; L102-S104 WeakPolarHBondContact CG-OG 3.34Å; L102-S104 PolarHBondContact O-N 3.03Å; L102-L105 HydrophobicContact CB-CD1 4.12Å; L102-L105 PolarHBondContact O-N 3.1Å; L102-R116 PolarHBondContact O-NH1 3.44Å
103P89.6Confident92.8Very high12 Ų1229.3 Ų29.38%0.07816%0.159CC..G310 helixtrans-63.3-31.3-175.4-27.637000114.9L105 S106 D121 L122 F149P103-L105 PolarHBondContact O-N 3.01Å; P103-S106 WeakPolarHBondContact O-CB 3.47Å; P103-S106 PolarHBondContact O-N 3.36Å; P103-S106 VanDerWaalsContact O-N 3.16Å; P103-S106 PolarHBondContact O-OG 2.92Å; P103-D121 HydrophobicContact CG-CB 4.39Å; P103-L122 HydrophobicContact CB-CB 4.03Å; P103-L122 HydrophobicContact CG-CB 3.86Å; P103-F149 HydrophobicContact CG-CD2 4.17Å
104S89.8Confident93Very high46 Ų4628.9 Ų28.932%0.32216%0.158SC..G310 helixtrans-64.9-24.3-17858.60000113.9L102 S106 D107 F111L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 VanDerWaalsContact CD2-OG 3.23Å; L102-S104 WeakPolarHBondContact CD2-OG 3.42Å; L102-S104 WeakPolarHBondContact CG-OG 3.34Å; L102-S104 PolarHBondContact O-N 3.03Å; S104-S106 PolarHBondContact O-N 3.33Å; S104-S106 VanDerWaalsContact O-N 3.15Å; S104-D107 WeakPolarHBondContact O-CB 3.31Å; S104-D107 PolarHBondContact O-N 2.78Å; S104-D107 VanDerWaalsContact O-N 3.09Å; S104-F111 VanDerWaalsContact O-CD2 3.25Å; S104-F111 WeakPolarHBondContact O-CD2 3.29Å; S104-F111 VanDerWaalsContact O-CE2 3.25Å; S104-F111 WeakPolarHBondContact O-CE2 3.44Å
105L93.1Very high93Very high0 Ų028.9 Ų28.90%016%0.158CC..G310 helixtrans-65.5-14.1176.7-72.8166.2000113.5V82 A85 L102 P103 D107 K108 F111 F114V82-L105 HydrophobicContact CB-CD2 4.48Å; V82-L105 HydrophobicContact CG2-CD1 4.43Å; V82-L105 HydrophobicContact CG2-CD2 3.68Å; V82-L105 HydrophobicContact CG2-CG 4.02Å; A85-L105 HydrophobicContact CB-CD2 4.4Å; L102-L105 HydrophobicContact CB-CD1 4.12Å; L102-L105 PolarHBondContact O-N 3.1Å; P103-L105 PolarHBondContact O-N 3.01Å; L105-D107 VanDerWaalsContact C-N 3.32Å; L105-K108 PolarHBondContact O-NZ 3.33Å; L105-F111 HydrophobicContact CD2-CD1 4.21Å; L105-F111 HydrophobicContact CD2-CD2 4.34Å; L105-F111 HydrophobicContact CD2-CE1 4.23Å; L105-F111 HydrophobicContact CD2-CE2 4.39Å; L105-F111 HydrophobicContact CD2-CG 4.24Å; L105-F111 HydrophobicContact CD2-CZ 4.32Å; L105-F114 HydrophobicContact CB-CD1 3.78Å; L105-F114 HydrophobicContact CB-CE1 3.55Å; L105-F114 HydrophobicContact CB-CG 4.46Å; L105-F114 HydrophobicContact CB-CZ 4.06Å; L105-F114 HydrophobicContact CD1-CE1 4.11Å; L105-F114 HydrophobicContact CD1-CE2 4.19Å; L105-F114 HydrophobicContact CD1-CZ 3.72Å; L105-F114 HydrophobicContact CD2-CD1 4.37Å; L105-F114 HydrophobicContact CD2-CD2 4.13Å; L105-F114 HydrophobicContact CD2-CE1 4.38Å; L105-F114 HydrophobicContact CD2-CE2 4.13Å; L105-F114 HydrophobicContact CD2-CG 4.24Å; L105-F114 HydrophobicContact CD2-CZ 4.25Å; L105-F114 HydrophobicContact CG-CE1 4.23Å; L105-F114 HydrophobicContact CG-CZ 4.24Å; L105-F114 WeakPolarHBondContact O-CD1 3.25Å
106S93Very high92.9Very high15 Ų1528.8 Ų28.811%0.10516%0.157CC..G310 helixtrans-78.5-16.7175.8-210000112.1P103 S104 K108 R116 D386P103-S106 WeakPolarHBondContact O-CB 3.47Å; P103-S106 PolarHBondContact O-N 3.36Å; P103-S106 VanDerWaalsContact O-N 3.16Å; P103-S106 PolarHBondContact O-OG 2.92Å; S104-S106 PolarHBondContact O-N 3.33Å; S104-S106 VanDerWaalsContact O-N 3.15Å; S106-K108 PolarHBondContact O-N 3.42Å; S106-K108 VanDerWaalsContact O-N 3.13Å; S106-R116 PolarHBondContact OG-NH2 2.69Å; S106-D386 PolarHBondContact OG-OD2 2.86Å
107D94Very high92.7Very high55 Ų5529.1 Ų29.129%0.29416%0.159SC..  trans-70.4104.3176.5-179-8.5000110.8S104 L105 I109 Q110 F111S104-D107 WeakPolarHBondContact O-CB 3.31Å; S104-D107 PolarHBondContact O-N 2.78Å; S104-D107 VanDerWaalsContact O-N 3.09Å; L105-D107 VanDerWaalsContact C-N 3.32Å; D107-I109 VanDerWaalsContact C-N 3.25Å; D107-I109 PolarHBondContact O-N 2.93Å; D107-I109 WeakPolarHBondContact OD1-CA 3.47Å; D107-I109 VanDerWaalsContact OD1-CB 3.25Å; D107-I109 WeakPolarHBondContact OD1-CB 3.38Å; D107-I109 PolarHBondContact OD1-N 3.06Å; D107-Q110 HydrophobicContact CB-CB 4.44Å; D107-Q110 PolarHBondContact O-N 3.32Å; D107-Q110 PolarHBondContact OD1-N 3.02Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.26Å; D107-Q110 PolarHBondContact OD2-NE2 3.48Å; D107-F111 PolarHBondContact O-N 3.46Å
108K93.8Very high92.4Very high40 Ų4029.6 Ų29.617%0.17416%0.162CC..THydrogen-bonded Turntrans-76.2-6.7-179.8-60.9-53.4174.6-139.60115.1L105 S106 F111 P112 F114 N384L105-K108 PolarHBondContact O-NZ 3.33Å; S106-K108 PolarHBondContact O-N 3.42Å; S106-K108 VanDerWaalsContact O-N 3.13Å; K108-F111 WeakPolarHBondContact CD-O 3.38Å; K108-P112 WeakPolarHBondContact O-CA 3.43Å; K108-F114 PolarHBondContact NZ-O 3.11Å; K108-N384 WeakPolarHBondContact CE-O 3.4Å; K108-N384 PolarHBondContact NZ-O 2.89Å
109I93.6Very high92.3Very high159 Ų15928.7 Ų28.782%0.81516%0.159SC*.THydrogen-bonded Turntrans-75.7-45.8168.6-56.8176.9000108.8D107D107-I109 VanDerWaalsContact C-N 3.25Å; D107-I109 PolarHBondContact O-N 2.93Å; D107-I109 WeakPolarHBondContact OD1-CA 3.47Å; D107-I109 VanDerWaalsContact OD1-CB 3.25Å; D107-I109 WeakPolarHBondContact OD1-CB 3.38Å; D107-I109 PolarHBondContact OD1-N 3.06Å
110Q94.1Very high92.5Very high101 Ų10127.1 Ų27.147%0.47215%0.148SC..THydrogen-bonded Turntrans-80.7-37.9179-70.3-175.168.300113.4D107 P112D107-Q110 HydrophobicContact CB-CB 4.44Å; D107-Q110 PolarHBondContact O-N 3.32Å; D107-Q110 PolarHBondContact OD1-N 3.02Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.26Å; D107-Q110 PolarHBondContact OD2-NE2 3.48Å; Q110-P112 VanDerWaalsContact C-CD 3.45Å; Q110-P112 WeakPolarHBondContact O-CD 3.5Å
111F96.3Very high92.4Very high3 Ų327.9 Ų27.91%0.01315%0.152CC..  trans-126.565.7-173.7-51.4-74.3000111.1V82 A85 R86 S104 L105 D107 K108 S113 F114V82-F111 HydrophobicContact CB-CE1 4.46Å; V82-F111 HydrophobicContact CG1-CE1 4.05Å; V82-F111 HydrophobicContact CG1-CZ 4.02Å; V82-F111 HydrophobicContact CG2-CZ 4.23Å; A85-F111 HydrophobicContact CB-CB 4.5Å; A85-F111 HydrophobicContact CB-CD1 3.6Å; A85-F111 HydrophobicContact CB-CE1 4.27Å; A85-F111 HydrophobicContact CB-CG 4.41Å; R86-F111 HydrophobicContact CG-CD1 4.45Å; R86-F111 HydrophobicContact CG-CE1 3.89Å; S104-F111 VanDerWaalsContact O-CD2 3.25Å; S104-F111 WeakPolarHBondContact O-CD2 3.29Å; S104-F111 VanDerWaalsContact O-CE2 3.25Å; S104-F111 WeakPolarHBondContact O-CE2 3.44Å; L105-F111 HydrophobicContact CD2-CD1 4.21Å; L105-F111 HydrophobicContact CD2-CD2 4.34Å; L105-F111 HydrophobicContact CD2-CE1 4.23Å; L105-F111 HydrophobicContact CD2-CE2 4.39Å; L105-F111 HydrophobicContact CD2-CG 4.24Å; L105-F111 HydrophobicContact CD2-CZ 4.32Å; D107-F111 PolarHBondContact O-N 3.46Å; K108-F111 WeakPolarHBondContact CD-O 3.38Å; F111-S113 VanDerWaalsContact C-N 3.26Å; F111-S113 PolarHBondContact O-N 2.7Å; F111-F114 HydrophobicContact CB-CB 3.89Å; F111-F114 PolarHBondContact O-N 3.2Å
112P95.7Very high92.4Very high38 Ų3829.5 Ų29.525%0.24716%0.159CC..THydrogen-bonded Turntrans-61.4-32.5-173.923.9-34.2000112.8K108 Q110 R367K108-P112 WeakPolarHBondContact O-CA 3.43Å; Q110-P112 VanDerWaalsContact C-CD 3.45Å; Q110-P112 WeakPolarHBondContact O-CD 3.5Å; P112-R367 PolarHBondContact O-NH2 3.36Å
113S96.3Very high92.4Very high1 Ų129.4 Ų29.41%0.00716%0.16CC..THydrogen-bonded Turntrans-98.23.4-174.8-380000114.9L88 G89 K92 F93 Q95 F111L88-S113 PolarHBondContact O-OG 3.24Å; G89-S113 WeakPolarHBondContact CA-OG 3.34Å; K92-S113 VanDerWaalsContact C-OG 3.26Å; K92-S113 WeakPolarHBondContact CA-OG 3.19Å; F93-S113 PolarHBondContact N-OG 3.05Å; F93-S113 WeakPolarHBondContact O-CB 3.47Å; Q95-S113 PolarHBondContact N-O 2.92Å; F111-S113 VanDerWaalsContact C-N 3.26Å; F111-S113 PolarHBondContact O-N 2.7Å
114F97.4Very high92.3Very high0 Ų029.1 Ų29.10%016%0.159CC..EExtended strand (participates in β ladder)trans-86.4132.8-177-177.3-91.8000111.2A85 Q95 L105 K108 F111 R116A85-F114 HydrophobicContact CB-CB 4.21Å; A85-F114 HydrophobicContact CB-CD2 4.03Å; A85-F114 HydrophobicContact CB-CG 4.48Å; Q95-F114 HydrophobicContact CB-CD2 4.46Å; Q95-F114 HydrophobicContact CG-CD2 4.24Å; L105-F114 HydrophobicContact CB-CD1 3.78Å; L105-F114 HydrophobicContact CB-CE1 3.55Å; L105-F114 HydrophobicContact CB-CG 4.46Å; L105-F114 HydrophobicContact CB-CZ 4.06Å; L105-F114 HydrophobicContact CD1-CE1 4.11Å; L105-F114 HydrophobicContact CD1-CE2 4.19Å; L105-F114 HydrophobicContact CD1-CZ 3.72Å; L105-F114 HydrophobicContact CD2-CD1 4.37Å; L105-F114 HydrophobicContact CD2-CD2 4.13Å; L105-F114 HydrophobicContact CD2-CE1 4.38Å; L105-F114 HydrophobicContact CD2-CE2 4.13Å; L105-F114 HydrophobicContact CD2-CG 4.24Å; L105-F114 HydrophobicContact CD2-CZ 4.25Å; L105-F114 HydrophobicContact CG-CE1 4.23Å; L105-F114 HydrophobicContact CG-CZ 4.24Å; L105-F114 WeakPolarHBondContact O-CD1 3.25Å; K108-F114 PolarHBondContact NZ-O 3.11Å; F111-F114 HydrophobicContact CB-CB 3.89Å; F111-F114 PolarHBondContact O-N 3.2Å; F114-R116 HydrophobicContact CE1-CB 3.87Å; F114-R116 HydrophobicContact CE1-CG 4.03Å; F114-R116 HydrophobicContact CZ-CB 4.02Å
115I96.1Very high92.4Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-136.4154174-62.3176.4000107Q95 V96 S97 L363 L366 R367 F381 G385Q95-I115 PolarHBondContact O-N 3.35Å; Q95-I115 VanDerWaalsContact O-O 3.13Å; V96-I115 CarbonylContact C-O 3.56Å; V96-I115 VanDerWaalsContact CA-O 3.32Å; V96-I115 WeakPolarHBondContact CA-O 3.42Å; S97-I115 PolarHBondContact N-O 2.75Å; I115-L363 HydrophobicContact CD1-CD1 3.86Å; I115-L363 HydrophobicContact CG1-CD1 4.43Å; I115-L366 HydrophobicContact CD1-CB 4.21Å; I115-L366 HydrophobicContact CD1-CD2 3.76Å; I115-L366 HydrophobicContact CD1-CG 3.68Å; I115-R367 HydrophobicContact CD1-CG 3.83Å; I115-F381 HydrophobicContact CG2-CD1 3.8Å; I115-F381 HydrophobicContact CG2-CD2 4.11Å; I115-F381 HydrophobicContact CG2-CE1 3.63Å; I115-F381 HydrophobicContact CG2-CE2 3.93Å; I115-F381 HydrophobicContact CG2-CG 4.05Å; I115-F381 HydrophobicContact CG2-CZ 3.7Å; I115-G385 WeakPolarHBondContact CA-O 3.45Å; I115-G385 WeakPolarHBondContact CG2-O 2.99Å
116R94Very high92.3Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-143.7144.617761.9170.2171.9-147.2-16.4114S97 S100 S101 L102 S106 F114 L118 S120 F381 G385 D386 L387S97-R116 CarbonylContact O-C 3.59Å; S97-R116 WeakPolarHBondContact O-CA 2.77Å; S97-R116 VanDerWaalsContact O-CB 3.31Å; S97-R116 WeakPolarHBondContact O-CB 3.49Å; S100-R116 VanDerWaalsContact O-CD 3.25Å; S100-R116 WeakPolarHBondContact O-CD 3.27Å; S100-R116 PolarHBondContact O-NH1 3.27Å; S101-R116 PolarHBondContact O-NH1 3.21Å; S101-R116 VanDerWaalsContact O-NH1 3.14Å; L102-R116 PolarHBondContact O-NH1 3.44Å; S106-R116 PolarHBondContact OG-NH2 2.69Å; F114-R116 HydrophobicContact CE1-CB 3.87Å; F114-R116 HydrophobicContact CE1-CG 4.03Å; F114-R116 HydrophobicContact CZ-CB 4.02Å; R116-L118 HydrophobicContact CB-CD2 3.83Å; R116-L118 WeakPolarHBondContact CD-O 3.42Å; R116-L118 HydrophobicContact CG-CD2 4.31Å; R116-L118 WeakPolarHBondContact CG-O 3.03Å; R116-L118 PolarHBondContact O-N 3.08Å; R116-S120 VanDerWaalsContact CZ-CA 3.46Å; R116-S120 VanDerWaalsContact NH2-CA 3.28Å; R116-F381 VanDerWaalsContact O-CE1 3.27Å; R116-F381 WeakPolarHBondContact O-CE1 3.18Å; R116-G385 PolarHBondContact N-O 3.04Å; R116-D386 WeakPolarHBondContact CG-OD1 3.48Å; R116-D386 IonicContact CZ-OD1 3.16Å; R116-D386 IonicContact CZ-OD2 2.77Å; R116-D386 IonicContact NE-OD1 2.81Å; R116-D386 PolarHBondContact NE-OD1 2.97Å; R116-D386 IonicContact NE-OD2 3.65Å; R116-D386 IonicContact NH2-OD1 3.97Å; R116-D386 PolarHBondContact NH2-OD1 3.08Å; R116-D386 IonicContact NH2-OD2 2.97Å; R116-D386 PolarHBondContact NH2-OD2 3.24Å; R116-L387 PolarHBondContact O-N 2.99Å
117T92.1Very high92.2Very high6 Ų627.9 Ų27.94%0.03715%0.146CC..SBendtrans-92.735.5178.756.90000112.7V96 S97 T329 A330 F381 L387V96-T117 HydrophobicContact CG1-CG2 3.91Å; S97-T117 PolarHBondContact O-N 3.19Å; T117-T329 HydrophobicContact CG2-CG2 3.79Å; T117-A330 HydrophobicContact CG2-CB 4.02Å; T117-F381 HydrophobicContact CG2-CE1 4.16Å; T117-F381 HydrophobicContact CG2-CZ 4.09Å; T117-L387 WeakPolarHBondContact O-CD2 3.25Å
118L88.2Confident92.2Very high10 Ų1025.2 Ų25.25%0.05213%0.132CC..SBendtrans-148.7166172.269.5156.5000109.1R116 Y253 L387R116-L118 HydrophobicContact CB-CD2 3.83Å; R116-L118 WeakPolarHBondContact CD-O 3.42Å; R116-L118 HydrophobicContact CG-CD2 4.31Å; R116-L118 WeakPolarHBondContact CG-O 3.03Å; R116-L118 PolarHBondContact O-N 3.08Å; L118-Y253 HydrophobicContact CB-CE2 4.25Å; L118-L387 PolarHBondContact O-N 2.81Å
119T88.6Confident92.2Very high7 Ų723.3 Ų23.34%0.04312%0.124CC..  trans-76.6156.2175.655.50000111.5S124 L387 T389 F391T119-S124 PolarHBondContact OG1-OG 3.06Å; T119-L387 WeakPolarHBondContact CG2-O 3.35Å; T119-T389 HydrophobicContact CG2-CG2 3.84Å; T119-F391 HydrophobicContact CG2-CE1 4.17Å; T119-F391 HydrophobicContact CG2-CZ 3.75Å
120S89.9Confident92.1Very high5 Ų517 Ų174%0.0359%0.091CC..  trans-63.5147.8167.990.70000111.3R116 L122 T123 S124R116-S120 VanDerWaalsContact CZ-CA 3.46Å; R116-S120 VanDerWaalsContact NH2-CA 3.28Å; S120-L122 PolarHBondContact O-N 3.49Å; S120-L122 PolarHBondContact OG-N 2.95Å; S120-T123 WeakPolarHBondContact O-CB 3.36Å; S120-T123 PolarHBondContact O-N 3.2Å; S120-T123 VanDerWaalsContact O-N 3.16Å; S120-T123 WeakPolarHBondContact OG-CB 3.49Å; S120-T123 PolarHBondContact OG-N 3.1Å; S120-T123 PolarHBondContact OG-OG1 3.4Å; S120-S124 PolarHBondContact O-N 2.91Å; S120-S124 PolarHBondContact O-OG 3.22Å
121D87.6Confident92Very high16 Ų1612.2 Ų12.29%0.0867%0.068CC..Hα-helixtrans-60.7-29172.8-76.5-40.9000111.6S101 P103 S124 S125 F149 K227S101-D121 VanDerWaalsContact CB-OD1 3.31Å; S101-D121 WeakPolarHBondContact CB-OD1 3.4Å; S101-D121 WeakPolarHBondContact CB-OD2 3.06Å; S101-D121 PolarHBondContact O-N 3.45Å; S101-D121 PolarHBondContact OG-OD1 3.31Å; S101-D121 PolarHBondContact OG-OD2 2.93Å; P103-D121 HydrophobicContact CG-CB 4.39Å; D121-S124 PolarHBondContact O-N 3.45Å; D121-S125 WeakPolarHBondContact O-CB 3.41Å; D121-S125 PolarHBondContact O-N 3.26Å; D121-S125 PolarHBondContact O-OG 2.98Å; D121-S125 VanDerWaalsContact O-OG 3.11Å; D121-F149 HydrophobicContact CB-CD2 4.03Å; D121-F149 HydrophobicContact CB-CE2 3.25Å; D121-F149 HydrophobicContact CB-CZ 3.78Å; D121-K227 HydrophobicContact CB-CD 4.31Å; D121-K227 WeakPolarHBondContact OD1-CD 3.28Å; D121-K227 WeakPolarHBondContact OD1-CE 3.35Å; D121-K227 IonicContact OD1-NZ 3.36Å; D121-K227 PolarHBondContact OD1-NZ 3.29Å
122L87.9Confident91.9Very high56 Ų5612 Ų1229%0.2937%0.067SC..Hα-helixtrans-68.8-38.8177.7-164.167.1000111.6P103 S120 S125 H126 Q152 L156P103-L122 HydrophobicContact CB-CB 4.03Å; P103-L122 HydrophobicContact CG-CB 3.86Å; S120-L122 PolarHBondContact O-N 3.49Å; S120-L122 PolarHBondContact OG-N 2.95Å; L122-S125 PolarHBondContact O-N 3.41Å; L122-H126 PolarHBondContact O-N 3.1Å; L122-Q152 HydrophobicContact CD1-CB 4.34Å; L122-L156 HydrophobicContact CD1-CB 4.07Å; L122-L156 HydrophobicContact CD1-CD2 3.61Å; L122-L156 HydrophobicContact CD1-CG 4.38Å; L122-L156 HydrophobicContact CG-CD2 3.88Å; L122-L156 VanDerWaalsContact O-CD2 3.29Å; L122-L156 WeakPolarHBondContact O-CD2 3.36Å
123T88.8Confident91.8Very high47 Ų4713 Ų1329%0.2887%0.07SC..Hα-helixtrans-64.9-42173.6-530000110.5S120 H126 A127 F391 M422S120-T123 WeakPolarHBondContact O-CB 3.36Å; S120-T123 PolarHBondContact O-N 3.2Å; S120-T123 VanDerWaalsContact O-N 3.16Å; S120-T123 WeakPolarHBondContact OG-CB 3.49Å; S120-T123 PolarHBondContact OG-N 3.1Å; S120-T123 PolarHBondContact OG-OG1 3.4Å; T123-H126 WeakPolarHBondContact O-CB 3.48Å; T123-H126 PolarHBondContact O-N 3.31Å; T123-A127 PolarHBondContact O-N 3.4Å; T123-F391 HydrophobicContact CG2-CZ 4.32Å; T123-M422 HydrophobicContact CG2-CE 3.92Å
124S88.6Confident91.5Very high7 Ų716.9 Ų16.95%0.0499%0.088CC..Hα-helixtrans-66.2-39.6175.2-54.20000111.9T119 S120 D121 H126 A127 V128T119-S124 PolarHBondContact OG1-OG 3.06Å; S120-S124 PolarHBondContact O-N 2.91Å; S120-S124 PolarHBondContact O-OG 3.22Å; D121-S124 PolarHBondContact O-N 3.45Å; S124-H126 VanDerWaalsContact C-N 3.31Å; S124-H126 PolarHBondContact O-N 3.19Å; S124-A127 WeakPolarHBondContact O-CB 3.22Å; S124-A127 PolarHBondContact O-N 2.89Å; S124-V128 PolarHBondContact O-N 3.5Å
125S91.3Very high91.2Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-62.4-38172.3-70.90000111.9D121 L122 V128 T129 F201D121-S125 WeakPolarHBondContact O-CB 3.41Å; D121-S125 PolarHBondContact O-N 3.26Å; D121-S125 PolarHBondContact O-OG 2.98Å; D121-S125 VanDerWaalsContact O-OG 3.11Å; L122-S125 PolarHBondContact O-N 3.41Å; S125-V128 WeakPolarHBondContact O-CB 3.48Å; S125-V128 PolarHBondContact O-N 3.32Å; S125-T129 WeakPolarHBondContact O-CG2 3.36Å; S125-T129 PolarHBondContact O-N 3Å; S125-T129 VanDerWaalsContact O-N 3.15Å; S125-F201 WeakPolarHBondContact OG-CD1 3.45Å; S125-F201 WeakPolarHBondContact OG-CE1 3.4Å
126H91.1Very high91Very high34 Ų3426.1 Ų26.116%0.15713%0.131CC..Hα-helixtrans-61.7-46.3172.3-170.9-147.1000111.1L122 T123 S124 V128 T129 Q130 L156 N420 M422L122-H126 PolarHBondContact O-N 3.1Å; T123-H126 WeakPolarHBondContact O-CB 3.48Å; T123-H126 PolarHBondContact O-N 3.31Å; S124-H126 VanDerWaalsContact C-N 3.31Å; S124-H126 PolarHBondContact O-N 3.19Å; H126-V128 VanDerWaalsContact C-N 3.29Å; H126-V128 PolarHBondContact O-N 2.88Å; H126-T129 PolarHBondContact CD2-OG1 2.84Å; H126-T129 PolarHBondContact O-N 2.7Å; H126-T129 PolarHBondContact O-OG1 3.4Å; H126-Q130 PolarHBondContact NE2-NE2 3.04Å; H126-Q130 WeakPolarHBondContact O-CG 3.44Å; H126-Q130 PolarHBondContact O-N 3.43Å; H126-Q130 VanDerWaalsContact O-N 3.08Å; H126-L156 HydrophobicContact CB-CD2 4.01Å; H126-N420 PolarHBondContact CE1-O 3.42Å; H126-M422 HydrophobicContact CB-CE 4.24Å; H126-M422 WeakPolarHBondContact ND1-CE 3.47Å
127A90.9Very high91Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-59-38.9176.800000112.6T123 S124 T129 Q130 L131 L251 F391 I412 M422T123-A127 PolarHBondContact O-N 3.4Å; S124-A127 WeakPolarHBondContact O-CB 3.22Å; S124-A127 PolarHBondContact O-N 2.89Å; A127-T129 VanDerWaalsContact C-N 3.33Å; A127-T129 PolarHBondContact O-N 2.78Å; A127-Q130 PolarHBondContact O-N 3.38Å; A127-L131 PolarHBondContact O-N 3.08Å; A127-L251 HydrophobicContact CB-CD1 3.56Å; A127-F391 HydrophobicContact CB-CD2 3.98Å; A127-F391 HydrophobicContact CB-CE2 3.98Å; A127-F391 HydrophobicContact CB-CG 4.43Å; A127-F391 HydrophobicContact CB-CZ 4.43Å; A127-I412 HydrophobicContact CB-CD1 4.18Å; A127-M422 HydrophobicContact CB-SD 3.77Å
128V93.1Very high91.1Very high0 Ų027.6 Ų27.60%014%0.14CC..Hα-helixtrans-57.2-45.8172.1165.20000111.1S124 S125 H126 Q130 L131 I132 L199 F201 V225 K227 L251S124-V128 PolarHBondContact O-N 3.5Å; S125-V128 WeakPolarHBondContact O-CB 3.48Å; S125-V128 PolarHBondContact O-N 3.32Å; H126-V128 VanDerWaalsContact C-N 3.29Å; H126-V128 PolarHBondContact O-N 2.88Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.27Å; V128-L131 WeakPolarHBondContact O-CB 3.39Å; V128-L131 PolarHBondContact O-N 2.66Å; V128-L131 VanDerWaalsContact O-N 3.17Å; V128-I132 WeakPolarHBondContact O-CG1 3.5Å; V128-I132 PolarHBondContact O-N 3.04Å; V128-L199 HydrophobicContact CG1-CD2 4.08Å; V128-L199 HydrophobicContact CG1-CG 4.08Å; V128-F201 HydrophobicContact CB-CE1 4.48Å; V128-F201 HydrophobicContact CG1-CE1 4.33Å; V128-F201 HydrophobicContact CG1-CZ 4.4Å; V128-V225 HydrophobicContact CG1-CB 4.32Å; V128-V225 HydrophobicContact CG1-CG1 3.77Å; V128-K227 HydrophobicContact CG2-CB 4.35Å; V128-L251 HydrophobicContact CG2-CD1 3.74Å; V128-L251 HydrophobicContact CG2-CG 4.32Å
129T93.7Very high91.5Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-65.5-33.9-179.966.10000112.7S125 H126 A127 L131 I132 I133 A157 V160 L161 L199S125-T129 WeakPolarHBondContact O-CG2 3.36Å; S125-T129 PolarHBondContact O-N 3Å; S125-T129 VanDerWaalsContact O-N 3.15Å; H126-T129 PolarHBondContact CD2-OG1 2.84Å; H126-T129 PolarHBondContact O-N 2.7Å; H126-T129 PolarHBondContact O-OG1 3.4Å; A127-T129 VanDerWaalsContact C-N 3.33Å; A127-T129 PolarHBondContact O-N 2.78Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.37Å; T129-I132 WeakPolarHBondContact O-CB 3.42Å; T129-I132 PolarHBondContact O-N 2.94Å; T129-I133 WeakPolarHBondContact O-CG1 3.34Å; T129-I133 PolarHBondContact O-N 2.89Å; T129-I133 VanDerWaalsContact O-N 3.16Å; T129-A157 HydrophobicContact CG2-CB 3.65Å; T129-V160 WeakPolarHBondContact OG1-CG1 3.34Å; T129-L161 HydrophobicContact CG2-CD1 4.47Å; T129-L161 HydrophobicContact CG2-CG 4.35Å; T129-L199 HydrophobicContact CG2-CD2 4.39Å
130Q92.3Very high91.9Very high26 Ų2627.5 Ų27.512%0.12114%0.138CC..Hα-helixtrans-65.8-34.3175.7-63.3-59.8-32.700111.6H126 A127 V128 I132 I133 H134 M422 V424H126-Q130 PolarHBondContact NE2-NE2 3.04Å; H126-Q130 WeakPolarHBondContact O-CG 3.44Å; H126-Q130 PolarHBondContact O-N 3.43Å; H126-Q130 VanDerWaalsContact O-N 3.08Å; A127-Q130 PolarHBondContact O-N 3.38Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.27Å; Q130-I132 VanDerWaalsContact C-N 3.33Å; Q130-I132 PolarHBondContact O-N 3.17Å; Q130-I133 PolarHBondContact O-N 3.48Å; Q130-H134 WeakPolarHBondContact O-CB 3.38Å; Q130-H134 PolarHBondContact O-N 2.97Å; Q130-M422 HydrophobicContact CG-CB 4.08Å; Q130-M422 HydrophobicContact CG-CG 4.33Å; Q130-M422 HydrophobicContact CG-SD 4.26Å; Q130-V424 HydrophobicContact CB-CG2 4.41Å
131L92.1Very high92.2Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-64.7-38173.7-165.964.5000112A127 V128 T129 H134 F135 V225 F249 I393 V424A127-L131 PolarHBondContact O-N 3.08Å; V128-L131 WeakPolarHBondContact O-CB 3.39Å; V128-L131 PolarHBondContact O-N 2.66Å; V128-L131 VanDerWaalsContact O-N 3.17Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.37Å; L131-H134 PolarHBondContact O-N 3.48Å; L131-F135 HydrophobicContact CD1-CD2 3.99Å; L131-F135 HydrophobicContact CD1-CE2 3.39Å; L131-F135 HydrophobicContact CD1-CZ 3.97Å; L131-F135 HydrophobicContact CD2-CE2 4.04Å; L131-F135 HydrophobicContact CG-CD2 3.81Å; L131-F135 HydrophobicContact CG-CE2 3.51Å; L131-F135 VanDerWaalsContact O-CD2 3.3Å; L131-F135 WeakPolarHBondContact O-CD2 3.26Å; L131-F135 PolarHBondContact O-N 2.96Å; L131-F135 VanDerWaalsContact O-N 3.09Å; L131-V225 HydrophobicContact CD2-CG1 3.86Å; L131-F249 HydrophobicContact CD2-CB 3.93Å; L131-F249 HydrophobicContact CD2-CD1 4.32Å; L131-F249 HydrophobicContact CD2-CG 4.18Å; L131-I393 HydrophobicContact CD1-CD1 3.9Å; L131-I393 HydrophobicContact CD2-CG2 4.33Å; L131-V424 HydrophobicContact CD1-CG1 4.04Å
132I94.6Very high92.6Very high0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-61.8-45.9175.6-52.6-54.5000111.2V128 T129 Q130 H134 F135 Q136 W137 V140 L161 V166 V197 L199 V225V128-I132 WeakPolarHBondContact O-CG1 3.5Å; V128-I132 PolarHBondContact O-N 3.04Å; T129-I132 WeakPolarHBondContact O-CB 3.42Å; T129-I132 PolarHBondContact O-N 2.94Å; Q130-I132 VanDerWaalsContact C-N 3.33Å; Q130-I132 PolarHBondContact O-N 3.17Å; I132-H134 VanDerWaalsContact C-N 3.35Å; I132-F135 PolarHBondContact O-N 3.04Å; I132-Q136 PolarHBondContact O-N 2.77Å; I132-W137 HydrophobicContact CB-CE3 4.46Å; I132-W137 HydrophobicContact CD1-CE3 3.63Å; I132-W137 HydrophobicContact CD1-CZ3 3.76Å; I132-W137 HydrophobicContact CG2-CB 4.07Å; I132-W137 HydrophobicContact CG2-CE3 4.35Å; I132-W137 PolarHBondContact O-N 3.34Å; I132-V140 HydrophobicContact CG2-CG1 3.87Å; I132-L161 HydrophobicContact CB-CD2 3.86Å; I132-L161 HydrophobicContact CG1-CD2 4.44Å; I132-L161 HydrophobicContact CG2-CD2 3.86Å; I132-V166 HydrophobicContact CG2-CG1 4.35Å; I132-V197 HydrophobicContact CD1-CG1 3.84Å; I132-L199 HydrophobicContact CD1-CD1 3.72Å; I132-L199 HydrophobicContact CD1-CG 4.04Å; I132-L199 HydrophobicContact CG1-CD1 3.95Å; I132-L199 HydrophobicContact CG1-CD2 4.07Å; I132-L199 HydrophobicContact CG1-CG 4.13Å; I132-V225 HydrophobicContact CD1-CB 4.24Å; I132-V225 HydrophobicContact CD1-CG1 4.36Å; I132-V225 HydrophobicContact CD1-CG2 3.92Å
133I92.7Very high92.9Very high58 Ų5823.9 Ų23.930%0.29712%0.119SC..Hα-helixtrans-64.7-42.4179-64.5169.8000110.2T129 Q130 F135 Q136 V160 L161 A164T129-I133 WeakPolarHBondContact O-CG1 3.34Å; T129-I133 PolarHBondContact O-N 2.89Å; T129-I133 VanDerWaalsContact O-N 3.16Å; Q130-I133 PolarHBondContact O-N 3.48Å; I133-F135 PolarHBondContact O-N 3.47Å; I133-Q136 PolarHBondContact O-N 3.49Å; I133-Q136 VanDerWaalsContact O-N 3.12Å; I133-V160 HydrophobicContact CD1-CG1 3.87Å; I133-L161 HydrophobicContact CD1-CD2 4.36Å; I133-L161 HydrophobicContact CG1-CD2 3.95Å; I133-A164 HydrophobicContact CD1-CB 3.83Å; I133-A164 HydrophobicContact CG1-CB 3.92Å
134H91.6Very high93.1Very high82 Ų8221.7 Ų21.738%0.3811%0.106SC..Hα-helixtrans-60.2-43.5179.4-175.380.5000112.4Q130 L131 I132 Q136 V424 L426Q130-H134 WeakPolarHBondContact O-CB 3.38Å; Q130-H134 PolarHBondContact O-N 2.97Å; L131-H134 PolarHBondContact O-N 3.48Å; I132-H134 VanDerWaalsContact C-N 3.35Å; H134-Q136 PolarHBondContact O-N 3.38Å; H134-V424 HydrophobicContact CB-CB 4.12Å; H134-V424 HydrophobicContact CB-CG1 4.26Å; H134-V424 HydrophobicContact CB-CG2 4.05Å; H134-L426 WeakPolarHBondContact NE2-CD1 3.42Å
135F91Very high93.1Very high24 Ų2421.7 Ų21.711%0.10511%0.105CC..THydrogen-bonded Turntrans-79.63.7177.7-69.1-50.4000114.6L131 I132 I133 W137 F249 L426 V432L131-F135 HydrophobicContact CD1-CD2 3.99Å; L131-F135 HydrophobicContact CD1-CE2 3.39Å; L131-F135 HydrophobicContact CD1-CZ 3.97Å; L131-F135 HydrophobicContact CD2-CE2 4.04Å; L131-F135 HydrophobicContact CG-CD2 3.81Å; L131-F135 HydrophobicContact CG-CE2 3.51Å; L131-F135 VanDerWaalsContact O-CD2 3.3Å; L131-F135 WeakPolarHBondContact O-CD2 3.26Å; L131-F135 PolarHBondContact O-N 2.96Å; L131-F135 VanDerWaalsContact O-N 3.09Å; I132-F135 PolarHBondContact O-N 3.04Å; I133-F135 PolarHBondContact O-N 3.47Å; F135-W137 HydrophobicContact CB-CD2 3.74Å; F135-W137 HydrophobicContact CB-CE3 3.96Å; F135-W137 HydrophobicContact CB-CG 4.28Å; F135-W137 HydrophobicContact CB-CH2 4.26Å; F135-W137 HydrophobicContact CB-CZ2 4.06Å; F135-W137 HydrophobicContact CB-CZ3 4.19Å; F135-W137 HydrophobicContact CD2-CE3 4.21Å; F135-W137 AromaticContact CD2-CH2 3.47Å; F135-W137 HydrophobicContact CD2-CH2 3.47Å; F135-W137 VanDerWaalsContact CD2-CH2 3.47Å; F135-W137 AromaticContact CD2-CZ2 3.97Å; F135-W137 HydrophobicContact CD2-CZ2 3.97Å; F135-W137 AromaticContact CD2-CZ3 3.59Å; F135-W137 HydrophobicContact CD2-CZ3 3.59Å; F135-W137 HydrophobicContact CE2-CH2 4.09Å; F135-W137 HydrophobicContact CE2-CZ3 4.44Å; F135-W137 HydrophobicContact CG-CH2 4.14Å; F135-W137 HydrophobicContact CG-CZ2 4.19Å; F135-W137 HydrophobicContact CG-CZ3 4.32Å; F135-W137 PolarHBondContact O-N 2.91Å; F135-F249 HydrophobicContact CE2-CD1 4.39Å; F135-F249 HydrophobicContact CE2-CE1 4Å; F135-F249 HydrophobicContact CE2-CE2 4.21Å; F135-F249 AromaticContact CE2-CZ 3.9Å; F135-F249 HydrophobicContact CE2-CZ 3.9Å; F135-F249 AromaticContact CZ-CE1 3.91Å; F135-F249 HydrophobicContact CZ-CE1 3.91Å; F135-F249 AromaticContact CZ-CZ 3.89Å; F135-F249 HydrophobicContact CZ-CZ 3.89Å; F135-L426 HydrophobicContact CE1-CD1 3.68Å; F135-L426 HydrophobicContact CZ-CD1 4.14Å; F135-L426 HydrophobicContact CZ-CD2 4.41Å; F135-V432 HydrophobicContact CB-CG2 4.27Å; F135-V432 HydrophobicContact CD1-CB 4.5Å; F135-V432 HydrophobicContact CD1-CG1 4.02Å; F135-V432 HydrophobicContact CD1-CG2 3.79Å; F135-V432 HydrophobicContact CE1-CG1 3.82Å; F135-V432 HydrophobicContact CE1-CG2 4.37Å; F135-V432 HydrophobicContact CE2-CG1 4.46Å; F135-V432 HydrophobicContact CG-CG1 4.45Å; F135-V432 HydrophobicContact CG-CG2 4.15Å; F135-V432 HydrophobicContact CZ-CG1 4.06Å
136Q91.5Very high93Very high171 Ų17124.9 Ų24.980%0.79912%0.122SC*.THydrogen-bonded Turntrans56.230.5178.7-56.3-175.5-18.700114I132 I133 H134 S138I132-Q136 PolarHBondContact O-N 2.77Å; I133-Q136 PolarHBondContact O-N 3.49Å; I133-Q136 VanDerWaalsContact O-N 3.12Å; H134-Q136 PolarHBondContact O-N 3.38Å; Q136-S138 PolarHBondContact O-N 3.32Å
137W94.2Very high92.6Very high5 Ų526 Ų262%0.01913%0.129CC..  trans-75.4122.1173.9-66-37.2000110.3I132 F135 V140 V166 V197 V223 V225 F249 V432 P433I132-W137 HydrophobicContact CB-CE3 4.46Å; I132-W137 HydrophobicContact CD1-CE3 3.63Å; I132-W137 HydrophobicContact CD1-CZ3 3.76Å; I132-W137 HydrophobicContact CG2-CB 4.07Å; I132-W137 HydrophobicContact CG2-CE3 4.35Å; I132-W137 PolarHBondContact O-N 3.34Å; F135-W137 HydrophobicContact CB-CD2 3.74Å; F135-W137 HydrophobicContact CB-CE3 3.96Å; F135-W137 HydrophobicContact CB-CG 4.28Å; F135-W137 HydrophobicContact CB-CH2 4.26Å; F135-W137 HydrophobicContact CB-CZ2 4.06Å; F135-W137 HydrophobicContact CB-CZ3 4.19Å; F135-W137 HydrophobicContact CD2-CE3 4.21Å; F135-W137 AromaticContact CD2-CH2 3.47Å; F135-W137 HydrophobicContact CD2-CH2 3.47Å; F135-W137 VanDerWaalsContact CD2-CH2 3.47Å; F135-W137 AromaticContact CD2-CZ2 3.97Å; F135-W137 HydrophobicContact CD2-CZ2 3.97Å; F135-W137 AromaticContact CD2-CZ3 3.59Å; F135-W137 HydrophobicContact CD2-CZ3 3.59Å; F135-W137 HydrophobicContact CE2-CH2 4.09Å; F135-W137 HydrophobicContact CE2-CZ3 4.44Å; F135-W137 HydrophobicContact CG-CH2 4.14Å; F135-W137 HydrophobicContact CG-CZ2 4.19Å; F135-W137 HydrophobicContact CG-CZ3 4.32Å; F135-W137 PolarHBondContact O-N 2.91Å; W137-V140 HydrophobicContact CB-CG1 4.37Å; W137-V166 WeakPolarHBondContact O-CG1 3.47Å; W137-V166 WeakPolarHBondContact O-CG2 3.28Å; W137-V197 HydrophobicContact CB-CG2 4.44Å; W137-V197 HydrophobicContact CD2-CB 4.36Å; W137-V197 HydrophobicContact CD2-CG1 4.15Å; W137-V197 HydrophobicContact CD2-CG2 3.47Å; W137-V197 VanDerWaalsContact CD2-CG2 3.47Å; W137-V197 HydrophobicContact CE3-CB 4.32Å; W137-V197 HydrophobicContact CE3-CG1 3.62Å; W137-V197 HydrophobicContact CE3-CG2 3.8Å; W137-V197 HydrophobicContact CG-CG2 3.79Å; W137-V197 HydrophobicContact CH2-CG2 4.29Å; W137-V197 HydrophobicContact CZ2-CG2 3.98Å; W137-V197 HydrophobicContact CZ3-CG1 3.9Å; W137-V197 HydrophobicContact CZ3-CG2 4.22Å; W137-V223 HydrophobicContact CH2-CG1 4Å; W137-V223 HydrophobicContact CZ2-CG1 4.34Å; W137-V225 HydrophobicContact CH2-CG2 4.22Å; W137-V225 HydrophobicContact CZ3-CG2 3.78Å; W137-F249 HydrophobicContact CH2-CD2 4.14Å; W137-F249 AromaticContact CH2-CE2 3.99Å; W137-F249 HydrophobicContact CH2-CE2 3.99Å; W137-V432 HydrophobicContact CZ2-CB 3.93Å; W137-V432 HydrophobicContact CZ2-CG1 4.34Å; W137-V432 HydrophobicContact CZ2-CG2 4.28Å; W137-P433 PolarHBondContact NE1-O 3.01Å
138S94.3Very high92.1Very high32 Ų3231.9 Ų31.922%0.22416%0.161CC..  trans-105.9-4.9-176.266.20000114.1Q136 C167 S435Q136-S138 PolarHBondContact O-N 3.32Å; S138-C167 PolarHBondContact O-N 3.3Å; S138-S435 PolarHBondContact N-O 3.45Å; S138-S435 VanDerWaalsContact N-O 3.15Å
139W95.8Very high91.7Very high14 Ų1432.7 Ų32.75%0.05316%0.164CC..EExtended strand (participates in β ladder)trans-136.3111.5-179-168.7-127.9000111C167 E169 T194 A195 S435 C437 P454W139-C167 WeakPolarHBondContact CA-O 3.26Å; W139-C167 HydrophobicContact CE3-CB 3.62Å; W139-C167 HydrophobicContact CZ3-CB 3.61Å; W139-E169 HydrophobicContact CD2-CB 4.21Å; W139-E169 HydrophobicContact CH2-CB 3.77Å; W139-E169 HydrophobicContact CH2-CG 3.95Å; W139-E169 HydrophobicContact CZ2-CB 3.4Å; W139-E169 VanDerWaalsContact CZ2-CB 3.4Å; W139-E169 HydrophobicContact CZ2-CG 3.31Å; W139-E169 HydrophobicContact CZ3-CB 4.31Å; W139-T194 PolarHBondContact NE1-OG1 2.87Å; W139-A195 VanDerWaalsContact CD1-CA 3.49Å; W139-A195 HydrophobicContact CG-CB 4.08Å; W139-S435 PolarHBondContact N-O 2.85Å; W139-S435 WeakPolarHBondContact O-CB 3.49Å; W139-S435 PolarHBondContact O-OG 2.8Å; W139-C437 HydrophobicContact CB-CB 4.41Å; W139-C437 HydrophobicContact CD2-CB 3.67Å; W139-C437 HydrophobicContact CE3-CB 3.91Å; W139-C437 HydrophobicContact CG-CB 3.92Å; W139-C437 HydrophobicContact CZ2-CB 4.33Å; W139-C437 HydrophobicContact CZ3-CB 4.37Å; W139-P454 HydrophobicContact CH2-CG 3.87Å; W139-P454 HydrophobicContact CZ3-CG 3.6Å
140V96.7Very high91.3Very high0 Ų032.7 Ų32.70%016%0.164CC..EExtended strand (participates in β ladder)trans-136.8160.6-170.9-55.40000113.2I132 W137 L161 V166 C167 I168 E169 V197 L199I132-V140 HydrophobicContact CG2-CG1 3.87Å; W137-V140 HydrophobicContact CB-CG1 4.37Å; V140-L161 HydrophobicContact CG2-CD1 4.35Å; V140-V166 HydrophobicContact CG1-CG1 4.07Å; V140-V166 HydrophobicContact CG2-CG1 3.98Å; V140-C167 PolarHBondContact N-O 3.09Å; V140-C167 VanDerWaalsContact N-O 3.08Å; V140-I168 HydrophobicContact CG2-CG1 4.02Å; V140-I168 CarbonylContact O-C 3.56Å; V140-I168 WeakPolarHBondContact O-CA 3.29Å; V140-E169 PolarHBondContact O-N 3.47Å; V140-V197 WeakPolarHBondContact CA-O 3.29Å; V140-V197 HydrophobicContact CG1-CB 4.09Å; V140-V197 HydrophobicContact CG1-CG1 3.97Å; V140-L199 HydrophobicContact CB-CD1 3.83Å; V140-L199 HydrophobicContact CG1-CD1 4.21Å; V140-L199 HydrophobicContact CG2-CD1 4.02Å
141I95.7Very high91.2Very high0 Ų036.1 Ų36.10%018%0.18CC..EExtended strand (participates in β ladder)trans-110142.2169.4-64.4147.6000108.8E169 L172 C193 A195 V197 V198 L199I141-E169 HydrophobicContact CG1-CB 4.45Å; I141-L172 HydrophobicContact CG2-CD1 3.77Å; I141-L172 HydrophobicContact CG2-CG 4.06Å; I141-C193 HydrophobicContact CD1-CB 3.61Å; I141-C193 HydrophobicContact CG1-CB 4.34Å; I141-A195 HydrophobicContact CD1-CB 3.8Å; I141-A195 HydrophobicContact CG1-CB 3.8Å; I141-V197 PolarHBondContact N-O 3.21Å; I141-V198 HydrophobicContact CB-CG1 4.42Å; I141-V198 HydrophobicContact CB-CG2 4.33Å; I141-V198 HydrophobicContact CD1-CG2 4.1Å; I141-V198 HydrophobicContact CG2-CG1 4.29Å; I141-V198 WeakPolarHBondContact O-CA 3.47Å; I141-L199 PolarHBondContact O-N 3.43Å
142I96.3Very high91.1Very high1 Ų140.3 Ų40.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-107.5117.4169.2-62.5-179.8000108.5A144 S154 A157 I168 F170 Y171 L172 L199 F201I142-A144 HydrophobicContact CG2-CB 4.28Å; I142-S154 WeakPolarHBondContact CG2-OG 3.44Å; I142-A157 HydrophobicContact CD1-CB 3.89Å; I142-I168 HydrophobicContact CD1-CD1 3.6Å; I142-I168 HydrophobicContact CD1-CG1 4.08Å; I142-I168 HydrophobicContact CD1-CG2 4.3Å; I142-I168 HydrophobicContact CG1-CG1 4.49Å; I142-I168 HydrophobicContact CG1-CG2 4.2Å; I142-F170 PolarHBondContact N-O 2.99Å; I142-F170 VanDerWaalsContact N-O 3.1Å; I142-Y171 HydrophobicContact CB-CD1 4.12Å; I142-Y171 HydrophobicContact CD1-CD1 4.23Å; I142-Y171 HydrophobicContact CD1-CE1 3.76Å; I142-Y171 HydrophobicContact CG2-CD1 4.34Å; I142-L172 PolarHBondContact O-N 3.28Å; I142-L199 HydrophobicContact CG1-CB 4.5Å; I142-F201 HydrophobicContact CG2-CD2 3.97Å; I142-F201 HydrophobicContact CG2-CE2 4.09Å
143L94.4Very high90.9Very high0 Ų040.3 Ų40.30%020%0.2CC..EExtended strand (participates in β ladder)trans-107.3112.7173.6-177.971000108.8L172 V174 T186 V198 L199 F201 L202 I210 W224L143-L172 WeakPolarHBondContact CA-O 3.36Å; L143-L172 HydrophobicContact CD1-CB 3.64Å; L143-L172 HydrophobicContact CD1-CD1 4.47Å; L143-V174 HydrophobicContact CD1-CG2 3.64Å; L143-V174 HydrophobicContact CG-CG2 4.36Å; L143-T186 HydrophobicContact CD1-CG2 4.05Å; L143-V198 HydrophobicContact CB-CG1 3.84Å; L143-L199 PolarHBondContact N-O 3.23Å; L143-F201 PolarHBondContact O-N 3.32Å; L143-L202 HydrophobicContact CD1-CD1 4.5Å; L143-L202 HydrophobicContact CD2-CD1 3.57Å; L143-L202 HydrophobicContact CD2-CG 4.41Å; L143-L202 HydrophobicContact CG-CD1 3.75Å; L143-L202 HydrophobicContact CG-CG 4.19Å; L143-I210 HydrophobicContact CD2-CG2 4.18Å; L143-W224 HydrophobicContact CD2-CH2 4.48Å; L143-W224 HydrophobicContact CD2-CZ3 3.72Å
144A93.4Very high91Very high1 Ų137.6 Ų37.61%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-139.2163-170.800000112.4I142 S154 L172 Y173 V174 F201 L202I142-A144 HydrophobicContact CG2-CB 4.28Å; A144-S154 WeakPolarHBondContact CB-OG 3.35Å; A144-L172 PolarHBondContact N-O 3.05Å; A144-Y173 HydrophobicContact CB-CD1 4.2Å; A144-Y173 HydrophobicContact CB-CE1 4.14Å; A144-Y173 CarbonylContact O-C 3.49Å; A144-Y173 VanDerWaalsContact O-CA 3.29Å; A144-Y173 WeakPolarHBondContact O-CA 3.39Å; A144-V174 PolarHBondContact O-N 3.41Å; A144-F201 WeakPolarHBondContact CA-O 3.07Å; A144-F201 HydrophobicContact CB-CB 4.03Å; A144-F201 HydrophobicContact CB-CD2 4.41Å; A144-L202 VanDerWaalsContact C-CD2 3.4Å
145H88.9Confident91.1Very high7 Ų736.5 Ų36.53%0.03219%0.188CC..EExtended strand (participates in β ladder)trans-70.3151.9170.2-93.3-56.5000112.5D147 G150 Y173 V174 F201 S203 N206H145-D147 VanDerWaalsContact CB-OD1 3.24Å; H145-D147 WeakPolarHBondContact CB-OD1 3.19Å; H145-D147 PolarHBondContact O-N 3.3Å; H145-G150 WeakPolarHBondContact O-CA 3.27Å; H145-Y173 WeakPolarHBondContact O-CD1 3.3Å; H145-V174 PolarHBondContact ND1-O 3.38Å; H145-F201 PolarHBondContact N-O 3.44Å; H145-F201 VanDerWaalsContact N-O 3.15Å; H145-S203 PolarHBondContact CD2-N 2.94Å; H145-S203 VanDerWaalsContact CD2-N 3.28Å; H145-S203 WeakPolarHBondContact NE2-CB 3.36Å; H145-S203 PolarHBondContact NE2-N 3.1Å; H145-S203 PolarHBondContact NE2-OG 2.99Å; H145-N206 VanDerWaalsContact CE1-CG 3.43Å; H145-N206 PolarHBondContact CE1-ND2 2.86Å
146D88Confident91.2Very high67 Ų6737 Ų3736%0.35819%0.191SC..SBendtrans-80.96.1173.374.6-15.8000114.1Q151 V174 P175 S176D146-Q151 PolarHBondContact O-NE2 2.95Å; D146-V174 PolarHBondContact N-O 3.13Å; D146-P175 WeakPolarHBondContact OD1-CA 3.3Å; D146-P175 WeakPolarHBondContact OD2-CA 3.44Å; D146-S176 WeakPolarHBondContact OD1-CB 3.31Å; D146-S176 PolarHBondContact OD1-N 2.77Å; D146-S176 PolarHBondContact OD1-OG 3.02Å
147D84Confident91.4Very high58 Ų5828.9 Ų28.931%0.3115%0.153SC..SBendtrans-87.4176.6174.167.512000113.5H145 F149 G150 Q151 S176H145-D147 VanDerWaalsContact CB-OD1 3.24Å; H145-D147 WeakPolarHBondContact CB-OD1 3.19Å; H145-D147 PolarHBondContact O-N 3.3Å; D147-F149 PolarHBondContact O-N 3.12Å; D147-F149 WeakPolarHBondContact OD1-CB 3.26Å; D147-F149 PolarHBondContact OD1-N 2.99Å; D147-F149 VanDerWaalsContact OD1-N 3.13Å; D147-G150 PolarHBondContact O-N 3.06Å; D147-G150 PolarHBondContact OD1-N 3.5Å; D147-Q151 WeakPolarHBondContact O-CG 3.21Å; D147-Q151 PolarHBondContact O-N 2.69Å; D147-S176 WeakPolarHBondContact CB-OG 3.38Å
148D80.8Confident91.5Very high123 Ų12330 Ų3066%0.65816%0.162SC*.Hα-helixtrans-56.3-34.5178.5-67.1-19.7000112.4Q152D148-Q152 WeakPolarHBondContact O-CB 3.36Å; D148-Q152 WeakPolarHBondContact O-CG 3.47Å; D148-Q152 PolarHBondContact O-N 3.17Å
149F83.1Confident91.5Very high17 Ų1734.8 Ų34.88%0.07518%0.181CC..Hα-helixtrans-68.9-52.6179.6166.9-108.2000111.3P103 D121 D147 Q151 Q152 A153 F201 K227P103-F149 HydrophobicContact CG-CD2 4.17Å; D121-F149 HydrophobicContact CB-CD2 4.03Å; D121-F149 HydrophobicContact CB-CE2 3.25Å; D121-F149 HydrophobicContact CB-CZ 3.78Å; D147-F149 PolarHBondContact O-N 3.12Å; D147-F149 WeakPolarHBondContact OD1-CB 3.26Å; D147-F149 PolarHBondContact OD1-N 2.99Å; D147-F149 VanDerWaalsContact OD1-N 3.13Å; F149-Q151 VanDerWaalsContact C-N 3.27Å; F149-Q151 PolarHBondContact O-N 3.05Å; F149-Q152 PolarHBondContact O-N 3.3Å; F149-A153 HydrophobicContact CE2-CB 4.26Å; F149-A153 HydrophobicContact CZ-CB 4.33Å; F149-A153 WeakPolarHBondContact O-CB 3.12Å; F149-A153 PolarHBondContact O-N 3.37Å; F149-F201 HydrophobicContact CE1-CB 4.38Å; F149-K227 HydrophobicContact CZ-CD 4.04Å
150G86.9Confident91.3Very high0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-61.6-36.618000000112.4H145 D147 S154H145-G150 WeakPolarHBondContact O-CA 3.27Å; D147-G150 PolarHBondContact O-N 3.06Å; D147-G150 PolarHBondContact OD1-N 3.5Å; G150-S154 VanDerWaalsContact O-CB 3.25Å; G150-S154 WeakPolarHBondContact O-CB 3.1Å; G150-S154 PolarHBondContact O-N 2.72Å; G150-S154 PolarHBondContact O-OG 3.24Å
151Q89.3Confident91.3Very high98 Ų9835.6 Ų35.646%0.45819%0.187SC..Hα-helixtrans-67.4-45.8174.6-69.3-178.335.200112.6D146 D147 F149 S154 S155 Y173D146-Q151 PolarHBondContact O-NE2 2.95Å; D147-Q151 WeakPolarHBondContact O-CG 3.21Å; D147-Q151 PolarHBondContact O-N 2.69Å; F149-Q151 VanDerWaalsContact C-N 3.27Å; F149-Q151 PolarHBondContact O-N 3.05Å; Q151-S154 PolarHBondContact O-N 3.31Å; Q151-S155 WeakPolarHBondContact O-CB 3.47Å; Q151-S155 PolarHBondContact O-N 3.49Å; Q151-Y173 HydrophobicContact CG-CE1 4.42Å
152Q89.6Confident91.2Very high88 Ų8838.9 Ų38.941%0.41121%0.208SC..Hα-helixtrans-62.7-45177.1-75.7174.421.300111.8L122 D148 F149 S155 L156L122-Q152 HydrophobicContact CD1-CB 4.34Å; D148-Q152 WeakPolarHBondContact O-CB 3.36Å; D148-Q152 WeakPolarHBondContact O-CG 3.47Å; D148-Q152 PolarHBondContact O-N 3.17Å; F149-Q152 PolarHBondContact O-N 3.3Å; Q152-S155 PolarHBondContact O-N 3.39Å; Q152-L156 WeakPolarHBondContact O-CB 3.15Å; Q152-L156 PolarHBondContact O-N 3.38Å
153A90.8Very high91Very high0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-63.3-42.3177.600000112F149 A157 F201F149-A153 HydrophobicContact CE2-CB 4.26Å; F149-A153 HydrophobicContact CZ-CB 4.33Å; F149-A153 WeakPolarHBondContact O-CB 3.12Å; F149-A153 PolarHBondContact O-N 3.37Å; A153-A157 WeakPolarHBondContact O-CB 3.22Å; A153-A157 PolarHBondContact O-N 3.07Å; A153-F201 HydrophobicContact CB-CB 3.97Å; A153-F201 HydrophobicContact CB-CD1 3.97Å; A153-F201 HydrophobicContact CB-CD2 3.77Å; A153-F201 HydrophobicContact CB-CE1 4.42Å; A153-F201 HydrophobicContact CB-CE2 4.23Å; A153-F201 HydrophobicContact CB-CG 3.62Å
154S94.5Very high91Very high1 Ų146.6 Ų46.61%0.00726%0.262CS..Hα-helixtrans-64.6-42.6176.4-60.50000112.2I142 A144 G150 Q151 A157 S158I142-S154 WeakPolarHBondContact CG2-OG 3.44Å; A144-S154 WeakPolarHBondContact CB-OG 3.35Å; G150-S154 VanDerWaalsContact O-CB 3.25Å; G150-S154 WeakPolarHBondContact O-CB 3.1Å; G150-S154 PolarHBondContact O-N 2.72Å; G150-S154 PolarHBondContact O-OG 3.24Å; Q151-S154 PolarHBondContact O-N 3.31Å; S154-A157 PolarHBondContact O-N 2.68Å; S154-S158 PolarHBondContact O-N 3.07Å
155S94.4Very high90.9Very high60 Ų6048 Ų4842%0.4228%0.277SS..Hα-helixtrans-64.3-47.2177.4-1700000111.3Q151 Q152 A157 S158 Q159Q151-S155 WeakPolarHBondContact O-CB 3.47Å; Q151-S155 PolarHBondContact O-N 3.49Å; Q152-S155 PolarHBondContact O-N 3.39Å; S155-A157 VanDerWaalsContact C-N 3.34Å; S155-A157 PolarHBondContact O-N 3.38Å; S155-S158 PolarHBondContact O-N 2.88Å; S155-Q159 VanDerWaalsContact O-CG 3.31Å; S155-Q159 WeakPolarHBondContact O-CG 3.43Å; S155-Q159 PolarHBondContact O-N 3.3Å; S155-Q159 PolarHBondContact OG-NE2 3.45Å
156L93.6Very high91.2Very high35 Ų3548 Ų4818%0.18328%0.277CS..Hα-helixtrans-56.4-49174.1174.573.5000111.1L122 H126 Q152 S158 Q159 V160L122-L156 HydrophobicContact CD1-CB 4.07Å; L122-L156 HydrophobicContact CD1-CD2 3.61Å; L122-L156 HydrophobicContact CD1-CG 4.38Å; L122-L156 HydrophobicContact CG-CD2 3.88Å; L122-L156 VanDerWaalsContact O-CD2 3.29Å; L122-L156 WeakPolarHBondContact O-CD2 3.36Å; H126-L156 HydrophobicContact CB-CD2 4.01Å; Q152-L156 WeakPolarHBondContact O-CB 3.15Å; Q152-L156 PolarHBondContact O-N 3.38Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 3.01Å; L156-Q159 PolarHBondContact O-N 3.49Å; L156-V160 HydrophobicContact CD1-CG2 4.25Å; L156-V160 WeakPolarHBondContact O-CG2 3.39Å; L156-V160 PolarHBondContact O-N 3.46Å
157A94.9Very high91.6Very high0 Ų045.1 Ų45.10%026%0.262CS..Hα-helixtrans-59-45179.600000111.5T129 I142 A153 S154 S155 Q159 V160 L161 L199 F201T129-A157 HydrophobicContact CG2-CB 3.65Å; I142-A157 HydrophobicContact CD1-CB 3.89Å; A153-A157 WeakPolarHBondContact O-CB 3.22Å; A153-A157 PolarHBondContact O-N 3.07Å; S154-A157 PolarHBondContact O-N 2.68Å; S155-A157 VanDerWaalsContact C-N 3.34Å; S155-A157 PolarHBondContact O-N 3.38Å; A157-Q159 PolarHBondContact O-N 3.12Å; A157-V160 PolarHBondContact O-N 2.96Å; A157-L161 HydrophobicContact CB-CD1 4.34Å; A157-L161 WeakPolarHBondContact O-CB 3.32Å; A157-L161 WeakPolarHBondContact O-CG 3.43Å; A157-L161 PolarHBondContact O-N 3.42Å; A157-L199 HydrophobicContact CB-CD2 4.31Å; A157-F201 HydrophobicContact CB-CE2 3.98Å; A157-F201 HydrophobicContact CB-CZ 4.23Å
158S95.2Very high92.1Very high29 Ų2943.6 Ų43.620%0.20325%0.253CS..Hα-helixtrans-61.8-43.5175.6-178.10000112.7S154 S155 L156 V160 L161 T162 Y171S154-S158 PolarHBondContact O-N 3.07Å; S155-S158 PolarHBondContact O-N 2.88Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 3.01Å; S158-V160 VanDerWaalsContact C-N 3.26Å; S158-V160 PolarHBondContact O-N 2.85Å; S158-L161 PolarHBondContact O-N 3.23Å; S158-T162 VanDerWaalsContact O-CB 3.3Å; S158-T162 WeakPolarHBondContact O-CB 3.29Å; S158-T162 PolarHBondContact O-N 2.93Å; S158-T162 PolarHBondContact O-OG1 2.94Å; S158-T162 VanDerWaalsContact O-OG1 3.06Å; S158-Y171 WeakPolarHBondContact CB-OH 3.42Å; S158-Y171 PolarHBondContact OG-OH 2.91Å
159Q94.4Very high92.8Very high131 Ų13139.3 Ų39.361%0.61223%0.23SC*.Hα-helixtrans-62.9-32.2179.8-73.1175.715.500112.9S155 L156 A157 P163S155-Q159 VanDerWaalsContact O-CG 3.31Å; S155-Q159 WeakPolarHBondContact O-CG 3.43Å; S155-Q159 PolarHBondContact O-N 3.3Å; S155-Q159 PolarHBondContact OG-NE2 3.45Å; L156-Q159 PolarHBondContact O-N 3.49Å; A157-Q159 PolarHBondContact O-N 3.12Å; Q159-P163 WeakPolarHBondContact O-CD 3.32Å; Q159-P163 VanDerWaalsContact O-CG 3.26Å; Q159-P163 WeakPolarHBondContact O-CG 3.25Å
160V93.3Very high93.2Very high31 Ų3143.4 Ų43.419%0.18825%0.248CC..Hα-helixtrans-85.7-42.5179.5175.50000111.6T129 I133 L156 A157 S158T129-V160 WeakPolarHBondContact OG1-CG1 3.34Å; I133-V160 HydrophobicContact CD1-CG1 3.87Å; L156-V160 HydrophobicContact CD1-CG2 4.25Å; L156-V160 WeakPolarHBondContact O-CG2 3.39Å; L156-V160 PolarHBondContact O-N 3.46Å; A157-V160 PolarHBondContact O-N 2.96Å; S158-V160 VanDerWaalsContact C-N 3.26Å; S158-V160 PolarHBondContact O-N 2.85Å
161L95.3Very high93.6Very high0 Ų047.9 Ų47.90%027%0.265CS..Hα-helixtrans-78.4-39.2-172.4-68.7178.2000113.2T129 I132 I133 V140 A157 S158 A164 G165 V166 L199T129-L161 HydrophobicContact CG2-CD1 4.47Å; T129-L161 HydrophobicContact CG2-CG 4.35Å; I132-L161 HydrophobicContact CB-CD2 3.86Å; I132-L161 HydrophobicContact CG1-CD2 4.44Å; I132-L161 HydrophobicContact CG2-CD2 3.86Å; I133-L161 HydrophobicContact CD1-CD2 4.36Å; I133-L161 HydrophobicContact CG1-CD2 3.95Å; V140-L161 HydrophobicContact CG2-CD1 4.35Å; A157-L161 HydrophobicContact CB-CD1 4.34Å; A157-L161 WeakPolarHBondContact O-CB 3.32Å; A157-L161 WeakPolarHBondContact O-CG 3.43Å; A157-L161 PolarHBondContact O-N 3.42Å; S158-L161 PolarHBondContact O-N 3.23Å; L161-A164 CarbonylContact O-C 3.48Å; L161-A164 WeakPolarHBondContact O-CA 3.5Å; L161-A164 WeakPolarHBondContact O-CB 3.26Å; L161-A164 PolarHBondContact O-N 3.38Å; L161-A164 VanDerWaalsContact O-N 3.11Å; L161-G165 PolarHBondContact O-N 3.47Å; L161-V166 HydrophobicContact CB-CB 3.98Å; L161-V166 HydrophobicContact CB-CG1 4.29Å; L161-V166 HydrophobicContact CD2-CB 4.44Å; L161-V166 HydrophobicContact CD2-CG1 4.49Å; L161-V166 HydrophobicContact CD2-CG2 4.32Å; L161-V166 WeakPolarHBondContact O-CB 3.37Å; L161-V166 PolarHBondContact O-N 2.78Å; L161-L199 HydrophobicContact CD1-CD2 3.95Å
162T93.7Very high93.8Very high70 Ų7043.6 Ų43.643%0.42925%0.245SC..THydrogen-bonded Turntrans-63.6-45.6-176.5-60.50000113.1S158 A164 G165S158-T162 VanDerWaalsContact O-CB 3.3Å; S158-T162 WeakPolarHBondContact O-CB 3.29Å; S158-T162 PolarHBondContact O-N 2.93Å; S158-T162 PolarHBondContact O-OG1 2.94Å; S158-T162 VanDerWaalsContact O-OG1 3.06Å; T162-A164 PolarHBondContact O-N 2.92Å; T162-G165 PolarHBondContact O-N 3.05Å; T162-G165 VanDerWaalsContact O-N 3.09Å
163P93.6Very high93.8Very high111 Ų11144.1 Ų44.172%0.72124%0.244SC*.THydrogen-bonded Turntrans-64.8-24.2173.7-22.335.3000113.7Q159 G165Q159-P163 WeakPolarHBondContact O-CD 3.32Å; Q159-P163 VanDerWaalsContact O-CG 3.26Å; Q159-P163 WeakPolarHBondContact O-CG 3.25Å; P163-G165 PolarHBondContact O-N 3.17Å
164A92.4Very high93.7Very high52 Ų5244.1 Ų44.143%0.4324%0.244SC..THydrogen-bonded Turntrans-79.53.6174.700000113.4I133 L161 T162I133-A164 HydrophobicContact CD1-CB 3.83Å; I133-A164 HydrophobicContact CG1-CB 3.92Å; L161-A164 CarbonylContact O-C 3.48Å; L161-A164 WeakPolarHBondContact O-CA 3.5Å; L161-A164 WeakPolarHBondContact O-CB 3.26Å; L161-A164 PolarHBondContact O-N 3.38Å; L161-A164 VanDerWaalsContact O-N 3.11Å; T162-A164 PolarHBondContact O-N 2.92Å
165G91.9Very high93.2Very high31 Ų3144.6 Ų44.632%0.3225%0.247SC..THydrogen-bonded Turntrans80.118178.900000114.2L161 T162 P163 C456L161-G165 PolarHBondContact O-N 3.47Å; T162-G165 PolarHBondContact O-N 3.05Å; T162-G165 VanDerWaalsContact O-N 3.09Å; P163-G165 PolarHBondContact O-N 3.17Å; G165-C456 PolarHBondContact O-SG 3.37Å; G165-C456 VanDerWaalsContact O-SG 3.42Å
166V95.9Very high92.2Very high7 Ų743.8 Ų43.84%0.04224%0.242CC..PPolyproline II helixtrans-96.5129.7177-177.90000109.5I132 W137 V140 L161I132-V166 HydrophobicContact CG2-CG1 4.35Å; W137-V166 WeakPolarHBondContact O-CG1 3.47Å; W137-V166 WeakPolarHBondContact O-CG2 3.28Å; V140-V166 HydrophobicContact CG1-CG1 4.07Å; V140-V166 HydrophobicContact CG2-CG1 3.98Å; L161-V166 HydrophobicContact CB-CB 3.98Å; L161-V166 HydrophobicContact CB-CG1 4.29Å; L161-V166 HydrophobicContact CD2-CB 4.44Å; L161-V166 HydrophobicContact CD2-CG1 4.49Å; L161-V166 HydrophobicContact CD2-CG2 4.32Å; L161-V166 WeakPolarHBondContact O-CB 3.37Å; L161-V166 PolarHBondContact O-N 2.78Å
167C95.6Very high91.3Very high5 Ų550 Ų503%0.03427%0.269CS..EExtended strand (participates in β ladder)trans-101.7144.2176.5-60.30000111.4S138 W139 V140 P454 H455 C456S138-C167 PolarHBondContact O-N 3.3Å; W139-C167 WeakPolarHBondContact CA-O 3.26Å; W139-C167 HydrophobicContact CE3-CB 3.62Å; W139-C167 HydrophobicContact CZ3-CB 3.61Å; V140-C167 PolarHBondContact N-O 3.09Å; V140-C167 VanDerWaalsContact N-O 3.08Å; C167-P454 HydrophobicContact CB-CB 4.15Å; C167-P454 HydrophobicContact CB-CG 4.21Å; C167-H455 PolarHBondContact SG-CE1 2.9Å; C167-H455 PolarHBondContact SG-ND1 3.16Å; C167-H455 VanDerWaalsContact SG-ND1 3.44Å; C167-C456 HydrophobicContact CB-CB 3.7Å; C167-C456 WeakPolarHBondContact CB-SG 3.49Å; C167-C456 PolarHBondContact N-SG 3.28Å; C167-C456 VanDerWaalsContact N-SG 3.42Å; C167-C456 WeakPolarHBondContact SG-CB 2.78Å; C167-C456 PolarHBondContact SG-N 2.91Å; C167-C456 CovalentContact SG-SG 2.04Å; C167-C456 PolarHBondContact SG-SG 3.23Å
168I95.4Very high90.1Very high26 Ų2656.1 Ų56.113%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-103.3122.4179-61.7157.3000107.7V140 I142 Y171V140-I168 HydrophobicContact CG2-CG1 4.02Å; V140-I168 CarbonylContact O-C 3.56Å; V140-I168 WeakPolarHBondContact O-CA 3.29Å; I142-I168 HydrophobicContact CD1-CD1 3.6Å; I142-I168 HydrophobicContact CD1-CG1 4.08Å; I142-I168 HydrophobicContact CD1-CG2 4.3Å; I142-I168 HydrophobicContact CG1-CG1 4.49Å; I142-I168 HydrophobicContact CG1-CG2 4.2Å; I168-Y171 HydrophobicContact CB-CE2 4.46Å; I168-Y171 HydrophobicContact CD1-CE1 4.24Å; I168-Y171 WeakPolarHBondContact CD1-OH 3.34Å; I168-Y171 HydrophobicContact CG2-CD2 4.2Å; I168-Y171 HydrophobicContact CG2-CE1 4.38Å; I168-Y171 HydrophobicContact CG2-CE2 3.9Å
169E94.2Very high89.3Confident33 Ų3357 Ų5715%0.15430%0.304CS..EExtended strand (participates in β ladder)trans-71.5-53178.8-174174.8-159.700110.6W139 V140 I141 C193 T194 A195W139-E169 HydrophobicContact CD2-CB 4.21Å; W139-E169 HydrophobicContact CH2-CB 3.77Å; W139-E169 HydrophobicContact CH2-CG 3.95Å; W139-E169 HydrophobicContact CZ2-CB 3.4Å; W139-E169 VanDerWaalsContact CZ2-CB 3.4Å; W139-E169 HydrophobicContact CZ2-CG 3.31Å; W139-E169 HydrophobicContact CZ3-CB 4.31Å; V140-E169 PolarHBondContact O-N 3.47Å; I141-E169 HydrophobicContact CG1-CB 4.45Å; E169-C193 WeakPolarHBondContact OE2-CB 3.41Å; E169-T194 VanDerWaalsContact CD-N 3.32Å; E169-T194 VanDerWaalsContact CD-OG1 3.29Å; E169-T194 PolarHBondContact OE1-N 3.01Å; E169-T194 PolarHBondContact OE1-OG1 3.18Å; E169-T194 PolarHBondContact OE2-N 3.3Å; E169-T194 PolarHBondContact OE2-OG1 3.45Å; E169-A195 HydrophobicContact CB-CB 4.37Å; E169-A195 VanDerWaalsContact OE2-CB 3.25Å; E169-A195 WeakPolarHBondContact OE2-CB 3.38Å; E169-A195 PolarHBondContact OE2-N 3.08Å
170F92.8Very high88.6Confident104 Ų10456.5 Ų56.546%0.45631%0.305SS..EExtended strand (participates in β ladder)trans-145.8150.6178.4-71.2-66000112.4I142 L172I142-F170 PolarHBondContact N-O 2.99Å; I142-F170 VanDerWaalsContact N-O 3.1Å; F170-L172 HydrophobicContact CB-CD2 4.1Å; F170-L172 HydrophobicContact CB-CG 4.33Å
171Y93.9Very high88.1Confident94 Ų9457.2 Ų57.237%0.36932%0.319SS..EExtended strand (participates in β ladder)trans-98.2116.9161.1-61.6-95.2000108.1I142 S158 I168 Y173I142-Y171 HydrophobicContact CB-CD1 4.12Å; I142-Y171 HydrophobicContact CD1-CD1 4.23Å; I142-Y171 HydrophobicContact CD1-CE1 3.76Å; I142-Y171 HydrophobicContact CG2-CD1 4.34Å; S158-Y171 WeakPolarHBondContact CB-OH 3.42Å; S158-Y171 PolarHBondContact OG-OH 2.91Å; I168-Y171 HydrophobicContact CB-CE2 4.46Å; I168-Y171 HydrophobicContact CD1-CE1 4.24Å; I168-Y171 WeakPolarHBondContact CD1-OH 3.34Å; I168-Y171 HydrophobicContact CG2-CD2 4.2Å; I168-Y171 HydrophobicContact CG2-CE1 4.38Å; I168-Y171 HydrophobicContact CG2-CE2 3.9Å; Y171-Y173 HydrophobicContact CG-CE2 4.48Å
172L93.3Very high87.6Confident8 Ų862.3 Ų62.34%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-107.8102.8179.2-61-177.2000108.3I141 I142 L143 A144 F170 T186 K189 M190I141-L172 HydrophobicContact CG2-CD1 3.77Å; I141-L172 HydrophobicContact CG2-CG 4.06Å; I142-L172 PolarHBondContact O-N 3.28Å; L143-L172 WeakPolarHBondContact CA-O 3.36Å; L143-L172 HydrophobicContact CD1-CB 3.64Å; L143-L172 HydrophobicContact CD1-CD1 4.47Å; A144-L172 PolarHBondContact N-O 3.05Å; F170-L172 HydrophobicContact CB-CD2 4.1Å; F170-L172 HydrophobicContact CB-CG 4.33Å; L172-T186 HydrophobicContact CB-CG2 4.18Å; L172-T186 HydrophobicContact CD1-CG2 4.43Å; L172-K189 HydrophobicContact CD2-CB 4.07Å; L172-K189 HydrophobicContact CD2-CD 4.26Å; L172-M190 HydrophobicContact CD1-CG 3.32Å; L172-M190 HydrophobicContact CD1-SD 4.17Å
173Y90.9Very high87.1Confident98 Ų9859.6 Ų59.638%0.38432%0.323SS..EExtended strand (participates in β ladder)trans-91.7122179.2-68.4-71.8000110.9A144 H145 Q151 Y171A144-Y173 HydrophobicContact CB-CD1 4.2Å; A144-Y173 HydrophobicContact CB-CE1 4.14Å; A144-Y173 CarbonylContact O-C 3.49Å; A144-Y173 VanDerWaalsContact O-CA 3.29Å; A144-Y173 WeakPolarHBondContact O-CA 3.39Å; H145-Y173 WeakPolarHBondContact O-CD1 3.3Å; Q151-Y173 HydrophobicContact CG-CE1 4.42Å; Y171-Y173 HydrophobicContact CG-CE2 4.48Å
174V89.3Confident86.8Confident1 Ų159.4 Ų59.41%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-96.7131.5177-175.50000109L143 A144 H145 D146 T186 L202 N206 I210L143-V174 HydrophobicContact CD1-CG2 3.64Å; L143-V174 HydrophobicContact CG-CG2 4.36Å; A144-V174 PolarHBondContact O-N 3.41Å; H145-V174 PolarHBondContact ND1-O 3.38Å; D146-V174 PolarHBondContact N-O 3.13Å; V174-T186 HydrophobicContact CG2-CG2 4.37Å; V174-L202 HydrophobicContact CB-CD2 3.76Å; V174-L202 HydrophobicContact CG2-CD1 4.08Å; V174-L202 HydrophobicContact CG2-CD2 3.82Å; V174-N206 HydrophobicContact CG1-CB 4.35Å; V174-I210 HydrophobicContact CG2-CD1 3.88Å; V174-I210 HydrophobicContact CG2-CG1 4.13Å
175P83.6Confident86.6Confident11 Ų1161 Ų617%0.07131%0.312CS..PPolyproline II helixtrans-62.8136.2179.2-21.532.2000113.1D146 H177 K182D146-P175 WeakPolarHBondContact OD1-CA 3.3Å; D146-P175 WeakPolarHBondContact OD2-CA 3.44Å; P175-H177 WeakPolarHBondContact CB-O 3.31Å; P175-H177 PolarHBondContact O-N 3.19Å; P175-K182 HydrophobicContact CB-CD 4.32Å; P175-K182 HydrophobicContact CG-CB 3.73Å; P175-K182 HydrophobicContact CG-CD 3.32Å; P175-K182 HydrophobicContact CG-CG 4.19Å
176S72.3Confident86.4Confident43 Ų4360 Ų6030%0.30130%0.299SS..SBendtrans-65.3-26.9175.8-56.70000112.3D146 D147D146-S176 WeakPolarHBondContact OD1-CB 3.31Å; D146-S176 PolarHBondContact OD1-N 2.77Å; D146-S176 PolarHBondContact OD1-OG 3.02Å; D147-S176 WeakPolarHBondContact CB-OG 3.38Å
177H74.4Confident86.1Confident165 Ų16560 Ų6076%0.76430%0.299SS*.SBendtrans-103.4143.9174.6-61.5-66.7000111.9P175 S179P175-H177 WeakPolarHBondContact CB-O 3.31Å; P175-H177 PolarHBondContact O-N 3.19Å; H177-S179 PolarHBondContact O-N 2.69Å; H177-S179 VanDerWaalsContact O-N 3.13Å
178Q71.3Confident85.7Confident129 Ų12965.3 Ų65.360%0.60332%0.319SS*.  trans-60.1117.3-173.5-165.9179.613.900112.3
179S78.6Confident85.4Confident46 Ų4668.8 Ų68.832%0.32233%0.333SS..  trans-142.796.5172.2-176.20000109.8H177 G181 K182 I183H177-S179 PolarHBondContact O-N 2.69Å; H177-S179 VanDerWaalsContact O-N 3.13Å; S179-G181 PolarHBondContact O-N 3.12Å; S179-K182 PolarHBondContact O-N 3.14Å; S179-K182 VanDerWaalsContact O-N 3.12Å; S179-I183 WeakPolarHBondContact O-CG1 3.38Å; S179-I183 PolarHBondContact O-N 3.49Å; S179-I183 VanDerWaalsContact O-N 3.12Å
180L78.8Confident85.2Confident121 Ų12167.2 Ų67.263%0.63433%0.326SS*.Hα-helixtrans-55.7-39.4-177.6-69.6171.7000112.4K182 I183 E184L180-K182 PolarHBondContact O-N 3.46Å; L180-I183 PolarHBondContact O-N 2.93Å; L180-E184 PolarHBondContact O-N 3.48Å
181G83.3Confident84.8Confident46 Ų4666.8 Ų66.847%0.47433%0.325SS..Hα-helixtrans-63.1-38.4178.300000113.7S179 E184 E185S179-G181 PolarHBondContact O-N 3.12Å; G181-E184 PolarHBondContact O-N 3.38Å; G181-E185 PolarHBondContact O-N 3.25Å
182K84.3Confident84.5Confident107 Ų10770.5 Ų70.547%0.46534%0.343SS..Hα-helixtrans-73-33.3176.7-71.3-173.5174.5-174.90112.4P175 S179 L180 E185 T186P175-K182 HydrophobicContact CB-CD 4.32Å; P175-K182 HydrophobicContact CG-CB 3.73Å; P175-K182 HydrophobicContact CG-CD 3.32Å; P175-K182 HydrophobicContact CG-CG 4.19Å; S179-K182 PolarHBondContact O-N 3.14Å; S179-K182 VanDerWaalsContact O-N 3.12Å; L180-K182 PolarHBondContact O-N 3.46Å; K182-E185 PolarHBondContact O-N 2.97Å; K182-T186 PolarHBondContact O-N 3.35Å; K182-T186 PolarHBondContact O-OG1 3.48Å
183I83.9Confident84.4Confident13 Ų1371 Ų717%0.06735%0.347CS..Hα-helixtrans-64.3-46173.4-66.5167.8000109.6S179 L180 E185 T186 V187 L209 I210S179-I183 WeakPolarHBondContact O-CG1 3.38Å; S179-I183 PolarHBondContact O-N 3.49Å; S179-I183 VanDerWaalsContact O-N 3.12Å; L180-I183 PolarHBondContact O-N 2.93Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 3.49Å; I183-T186 WeakPolarHBondContact O-CB 3.49Å; I183-T186 PolarHBondContact O-N 3.15Å; I183-T186 VanDerWaalsContact O-N 3.16Å; I183-V187 WeakPolarHBondContact O-CG2 3.48Å; I183-V187 PolarHBondContact O-N 3.01Å; I183-L209 HydrophobicContact CD1-CB 3.99Å; I183-L209 HydrophobicContact CD1-CD1 3.7Å; I183-L209 HydrophobicContact CD1-CG 4.44Å; I183-I210 HydrophobicContact CG2-CD1 4.16Å
184E85.6Confident84.3Confident107 Ų10770.8 Ų70.850%0.536%0.356SS..Hα-helixtrans-62-40.3176.4-161.7-164.7150.300112.2L180 G181 T186 V187 R188L180-E184 PolarHBondContact O-N 3.48Å; G181-E184 PolarHBondContact O-N 3.38Å; E184-T186 VanDerWaalsContact C-N 3.33Å; E184-T186 PolarHBondContact O-N 3.29Å; E184-V187 PolarHBondContact O-N 2.94Å; E184-R188 WeakPolarHBondContact O-CB 3.22Å; E184-R188 PolarHBondContact O-N 3.24Å; E184-R188 IonicContact OE1-CZ 3.92Å; E184-R188 IonicContact OE1-NE 2.85Å; E184-R188 PolarHBondContact OE1-NE 3.03Å; E184-R188 IonicContact OE1-NH2 2.72Å; E184-R188 PolarHBondContact OE1-NH2 2.79Å; E184-R188 IonicContact OE2-NH2 3.21Å; E184-R188 PolarHBondContact OE2-NH2 3.41Å
185E88.3Confident84.5Confident87 Ų8770.9 Ų70.941%0.40736%0.357SS..Hα-helixtrans-60.7-42.7173.8-167.9-168.2154.700111.8G181 K182 I183 R188 K189G181-E185 PolarHBondContact O-N 3.25Å; K182-E185 PolarHBondContact O-N 2.97Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 3.49Å; E185-R188 PolarHBondContact O-N 3.41Å; E185-K189 WeakPolarHBondContact O-CG 3.37Å; E185-K189 PolarHBondContact O-N 3.19Å; E185-K189 WeakPolarHBondContact OE1-CE 3.4Å; E185-K189 IonicContact OE1-NZ 3.35Å; E185-K189 PolarHBondContact OE1-NZ 2.9Å
186T89.7Confident84.9Confident10 Ų1076.4 Ų76.46%0.06138%0.376CS..Hα-helixtrans-62.6-47.2177.1-56.70000110.8L143 L172 V174 K182 I183 E184 R188 K189 M190 I210L143-T186 HydrophobicContact CD1-CG2 4.05Å; L172-T186 HydrophobicContact CB-CG2 4.18Å; L172-T186 HydrophobicContact CD1-CG2 4.43Å; V174-T186 HydrophobicContact CG2-CG2 4.37Å; K182-T186 PolarHBondContact O-N 3.35Å; K182-T186 PolarHBondContact O-OG1 3.48Å; I183-T186 WeakPolarHBondContact O-CB 3.49Å; I183-T186 PolarHBondContact O-N 3.15Å; I183-T186 VanDerWaalsContact O-N 3.16Å; E184-T186 VanDerWaalsContact C-N 3.33Å; E184-T186 PolarHBondContact O-N 3.29Å; T186-R188 VanDerWaalsContact C-N 3.35Å; T186-R188 PolarHBondContact O-N 3.41Å; T186-K189 WeakPolarHBondContact O-CB 3.36Å; T186-K189 PolarHBondContact O-N 2.95Å; T186-K189 VanDerWaalsContact O-N 3.1Å; T186-M190 WeakPolarHBondContact O-CG 3.44Å; T186-M190 PolarHBondContact O-N 3Å; T186-I210 HydrophobicContact CG2-CD1 3.99Å
187V88.3Confident86Confident7 Ų774.3 Ų74.34%0.04236%0.362CS..Hα-helixtrans-60.5-42.2176.31720000111.4I183 E184 K189 M190 Q191 L214 V217I183-V187 WeakPolarHBondContact O-CG2 3.48Å; I183-V187 PolarHBondContact O-N 3.01Å; E184-V187 PolarHBondContact O-N 2.94Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 2.93Å; V187-M190 WeakPolarHBondContact O-CB 3.38Å; V187-M190 PolarHBondContact O-N 3.3Å; V187-Q191 WeakPolarHBondContact O-CG 3.49Å; V187-Q191 PolarHBondContact O-N 3.26Å; V187-L214 HydrophobicContact CG1-CD2 4.09Å; V187-V217 HydrophobicContact CG1-CG2 4.11Å
188R88.6Confident86.9Confident116 Ų11666.5 Ų66.544%0.43833%0.325SS..Hα-helixtrans-63.5-33.6174.3-81.5-167.6-117118-7113.2E184 E185 T186E184-R188 WeakPolarHBondContact O-CB 3.22Å; E184-R188 PolarHBondContact O-N 3.24Å; E184-R188 IonicContact OE1-CZ 3.92Å; E184-R188 IonicContact OE1-NE 2.85Å; E184-R188 PolarHBondContact OE1-NE 3.03Å; E184-R188 IonicContact OE1-NH2 2.72Å; E184-R188 PolarHBondContact OE1-NH2 2.79Å; E184-R188 IonicContact OE2-NH2 3.21Å; E184-R188 PolarHBondContact OE2-NH2 3.41Å; E185-R188 PolarHBondContact O-N 3.41Å; T186-R188 VanDerWaalsContact C-N 3.35Å; T186-R188 PolarHBondContact O-N 3.41Å
189K89.1Confident88.1Confident98 Ų9860.3 Ų60.343%0.42630%0.297SS..Hα-helixtrans-68.7-43.5172.4-73.2174.7-174.9166.70110.7L172 E185 T186 V187 Q191 K192 C193L172-K189 HydrophobicContact CD2-CB 4.07Å; L172-K189 HydrophobicContact CD2-CD 4.26Å; E185-K189 WeakPolarHBondContact O-CG 3.37Å; E185-K189 PolarHBondContact O-N 3.19Å; E185-K189 WeakPolarHBondContact OE1-CE 3.4Å; E185-K189 IonicContact OE1-NZ 3.35Å; E185-K189 PolarHBondContact OE1-NZ 2.9Å; T186-K189 WeakPolarHBondContact O-CB 3.36Å; T186-K189 PolarHBondContact O-N 2.95Å; T186-K189 VanDerWaalsContact O-N 3.1Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 2.93Å; K189-Q191 VanDerWaalsContact C-N 3.28Å; K189-Q191 PolarHBondContact O-N 3.32Å; K189-K192 PolarHBondContact O-N 3.17Å; K189-C193 PolarHBondContact O-N 3.43Å; K189-C193 PolarHBondContact O-SG 3.46Å
190M88.3Confident88.8Confident1 Ų158.1 Ų58.11%0.00528%0.281CS..Hα-helixtrans-58.6-37.4177.9-69.3-171.273.700113L172 T186 V187 K192 C193 V198 I210 W224L172-M190 HydrophobicContact CD1-CG 3.32Å; L172-M190 HydrophobicContact CD1-SD 4.17Å; T186-M190 WeakPolarHBondContact O-CG 3.44Å; T186-M190 PolarHBondContact O-N 3Å; V187-M190 WeakPolarHBondContact O-CB 3.38Å; V187-M190 PolarHBondContact O-N 3.3Å; M190-K192 PolarHBondContact O-N 3.25Å; M190-C193 PolarHBondContact O-N 3.26Å; M190-V198 HydrophobicContact CE-CG1 4.43Å; M190-V198 HydrophobicContact CE-CG2 4.26Å; M190-I210 HydrophobicContact SD-CG2 4.3Å; M190-W224 HydrophobicContact CE-CH2 3.24Å; M190-W224 HydrophobicContact CE-CZ2 3.91Å; M190-W224 HydrophobicContact CE-CZ3 3.91Å; M190-W224 HydrophobicContact SD-CH2 4.18Å
191Q86Confident89.4Confident95 Ų9552.4 Ų52.444%0.44425%0.251SS..THydrogen-bonded Turntrans-59.1-27.2174.6-74171.6-10.300114.2V187 K189 V217V187-Q191 WeakPolarHBondContact O-CG 3.49Å; V187-Q191 PolarHBondContact O-N 3.26Å; K189-Q191 VanDerWaalsContact C-N 3.28Å; K189-Q191 PolarHBondContact O-N 3.32Å; Q191-V217 HydrophobicContact CG-CG1 3.48Å; Q191-V217 VanDerWaalsContact CG-CG1 3.48Å
192K87.3Confident89.6Confident171 Ų17150.3 Ų50.374%0.74323%0.229SC*.THydrogen-bonded Turntrans-94.7-8.3-177.5-63.4-179.3-178.6-178.10112.9K189 M190K189-K192 PolarHBondContact O-N 3.17Å; M190-K192 PolarHBondContact O-N 3.25Å
193C89.6Confident89.4Confident18 Ų1847.3 Ų47.312%0.12222%0.222CC..  trans-75.4148.1-179-59.60000110.5I141 E169 K189 M190I141-C193 HydrophobicContact CD1-CB 3.61Å; I141-C193 HydrophobicContact CG1-CB 4.34Å; E169-C193 WeakPolarHBondContact OE2-CB 3.41Å; K189-C193 PolarHBondContact O-N 3.43Å; K189-C193 PolarHBondContact O-SG 3.46Å; M190-C193 PolarHBondContact O-N 3.26Å
194T90.8Very high89.2Confident95 Ų9548.7 Ų48.758%0.58323%0.229SC*.  trans-101.7-24.3-178.956.70000112.5W139 E169W139-T194 PolarHBondContact NE1-OG1 2.87Å; E169-T194 VanDerWaalsContact CD-N 3.32Å; E169-T194 VanDerWaalsContact CD-OG1 3.29Å; E169-T194 PolarHBondContact OE1-N 3.01Å; E169-T194 PolarHBondContact OE1-OG1 3.18Å; E169-T194 PolarHBondContact OE2-N 3.3Å; E169-T194 PolarHBondContact OE2-OG1 3.45Å
195A93.1Very high88.9Confident2 Ų249.2 Ų49.22%0.01723%0.228CC..  trans-64.9136.7174.200000111.2W139 I141 E169W139-A195 VanDerWaalsContact CD1-CA 3.49Å; W139-A195 HydrophobicContact CG-CB 4.08Å; I141-A195 HydrophobicContact CD1-CB 3.8Å; I141-A195 HydrophobicContact CG1-CB 3.8Å; E169-A195 HydrophobicContact CB-CB 4.37Å; E169-A195 VanDerWaalsContact OE2-CB 3.25Å; E169-A195 WeakPolarHBondContact OE2-CB 3.38Å; E169-A195 PolarHBondContact OE2-N 3.08Å
196R92.1Very high88.7Confident127 Ų12745.6 Ų45.648%0.47921%0.211SC..  trans-89.8-25.3177.4-65.5-173.9179.5170.6-2.7112Q222 V223 S435R196-Q222 CarbonylContact O-C 3.51Å; R196-Q222 WeakPolarHBondContact O-CA 2.82Å; R196-V223 PolarHBondContact O-N 3.42Å; R196-S435 PolarHBondContact N-OG 3.32Å
197V94.6Very high88.5Confident0 Ų045.1 Ų45.10%021%0.208CC..EExtended strand (participates in β ladder)trans-97.9127.4-174.4174.40000110.5I132 W137 V140 I141 L199 V223 V225 S435I132-V197 HydrophobicContact CD1-CG1 3.84Å; W137-V197 HydrophobicContact CB-CG2 4.44Å; W137-V197 HydrophobicContact CD2-CB 4.36Å; W137-V197 HydrophobicContact CD2-CG1 4.15Å; W137-V197 HydrophobicContact CD2-CG2 3.47Å; W137-V197 VanDerWaalsContact CD2-CG2 3.47Å; W137-V197 HydrophobicContact CE3-CB 4.32Å; W137-V197 HydrophobicContact CE3-CG1 3.62Å; W137-V197 HydrophobicContact CE3-CG2 3.8Å; W137-V197 HydrophobicContact CG-CG2 3.79Å; W137-V197 HydrophobicContact CH2-CG2 4.29Å; W137-V197 HydrophobicContact CZ2-CG2 3.98Å; W137-V197 HydrophobicContact CZ3-CG1 3.9Å; W137-V197 HydrophobicContact CZ3-CG2 4.22Å; V140-V197 WeakPolarHBondContact CA-O 3.29Å; V140-V197 HydrophobicContact CG1-CB 4.09Å; V140-V197 HydrophobicContact CG1-CG1 3.97Å; I141-V197 PolarHBondContact N-O 3.21Å; V197-L199 HydrophobicContact CG1-CD1 4.31Å; V197-V223 CarbonylContact C-O 3.51Å; V197-V223 WeakPolarHBondContact CA-O 3.44Å; V197-V225 HydrophobicContact CG1-CG2 4.16Å; V197-S435 PolarHBondContact N-OG 3.28Å
198V94.2Very high88.3Confident0 Ų046.8 Ų46.80%022%0.215CC..EExtended strand (participates in β ladder)trans-121.2116.4-178.8-172.30000109.8I141 L143 M190 V200 V223 W224 V225I141-V198 HydrophobicContact CB-CG1 4.42Å; I141-V198 HydrophobicContact CB-CG2 4.33Å; I141-V198 HydrophobicContact CD1-CG2 4.1Å; I141-V198 HydrophobicContact CG2-CG1 4.29Å; I141-V198 WeakPolarHBondContact O-CA 3.47Å; L143-V198 HydrophobicContact CB-CG1 3.84Å; M190-V198 HydrophobicContact CE-CG1 4.43Å; M190-V198 HydrophobicContact CE-CG2 4.26Å; V198-V200 HydrophobicContact CG1-CG2 4.5Å; V198-V223 PolarHBondContact N-O 2.9Å; V198-W224 HydrophobicContact CB-CD2 4.31Å; V198-W224 HydrophobicContact CB-CE3 3.91Å; V198-W224 HydrophobicContact CB-CZ3 4.26Å; V198-W224 HydrophobicContact CG1-CE3 3.8Å; V198-W224 HydrophobicContact CG1-CZ3 3.78Å; V198-W224 CarbonylContact O-C 3.36Å; V198-W224 WeakPolarHBondContact O-CA 3.26Å; V198-V225 PolarHBondContact O-N 3.47Å
199L95.7Very high88.1Confident0 Ų042.6 Ų42.60%020%0.201CC..EExtended strand (participates in β ladder)trans-81130.8170.4-73.173.4000109V128 T129 I132 V140 I141 I142 L143 A157 L161 V197 F201V128-L199 HydrophobicContact CG1-CD2 4.08Å; V128-L199 HydrophobicContact CG1-CG 4.08Å; T129-L199 HydrophobicContact CG2-CD2 4.39Å; I132-L199 HydrophobicContact CD1-CD1 3.72Å; I132-L199 HydrophobicContact CD1-CG 4.04Å; I132-L199 HydrophobicContact CG1-CD1 3.95Å; I132-L199 HydrophobicContact CG1-CD2 4.07Å; I132-L199 HydrophobicContact CG1-CG 4.13Å; V140-L199 HydrophobicContact CB-CD1 3.83Å; V140-L199 HydrophobicContact CG1-CD1 4.21Å; V140-L199 HydrophobicContact CG2-CD1 4.02Å; I141-L199 PolarHBondContact O-N 3.43Å; I142-L199 HydrophobicContact CG1-CB 4.5Å; L143-L199 PolarHBondContact N-O 3.23Å; A157-L199 HydrophobicContact CB-CD2 4.31Å; L161-L199 HydrophobicContact CD1-CD2 3.95Å; V197-L199 HydrophobicContact CG1-CD1 4.31Å; L199-F201 HydrophobicContact CB-CE2 4.19Å; L199-F201 HydrophobicContact CB-CZ 4.26Å; L199-F201 HydrophobicContact CD2-CE2 4.35Å; L199-F201 HydrophobicContact CD2-CZ 4.11Å
200V93.2Very high88.1Confident0 Ų038 Ų380%018%0.181CC..EExtended strand (participates in β ladder)trans-112.9113.3-174.3-173.50000111.2V198 L202 F207 W224 V225V198-V200 HydrophobicContact CG1-CG2 4.5Å; V200-L202 HydrophobicContact CG1-CB 4.12Å; V200-L202 HydrophobicContact CG1-CD1 4.5Å; V200-L202 HydrophobicContact CG1-CG 4.26Å; V200-F207 HydrophobicContact CB-CE2 4.49Å; V200-F207 HydrophobicContact CG1-CD2 3.58Å; V200-F207 HydrophobicContact CG1-CE2 3.77Å; V200-F207 HydrophobicContact CG1-CG 4.37Å; V200-F207 HydrophobicContact CG2-CE2 3.95Å; V200-W224 HydrophobicContact CG2-CB 4.29Å; V200-W224 HydrophobicContact CG2-CE3 3.58Å; V200-W224 HydrophobicContact CG2-CZ3 4.31Å; V200-V225 PolarHBondContact N-O 2.98Å
201F91.8Very high87.9Confident0 Ų037.9 Ų37.90%018%0.181CC..EExtended strand (participates in β ladder)trans-120.855.3173.2-53.7-50.9000110.4S125 V128 I142 L143 A144 H145 F149 A153 A157 L199S125-F201 WeakPolarHBondContact OG-CD1 3.45Å; S125-F201 WeakPolarHBondContact OG-CE1 3.4Å; V128-F201 HydrophobicContact CB-CE1 4.48Å; V128-F201 HydrophobicContact CG1-CE1 4.33Å; V128-F201 HydrophobicContact CG1-CZ 4.4Å; I142-F201 HydrophobicContact CG2-CD2 3.97Å; I142-F201 HydrophobicContact CG2-CE2 4.09Å; L143-F201 PolarHBondContact O-N 3.32Å; A144-F201 WeakPolarHBondContact CA-O 3.07Å; A144-F201 HydrophobicContact CB-CB 4.03Å; A144-F201 HydrophobicContact CB-CD2 4.41Å; H145-F201 PolarHBondContact N-O 3.44Å; H145-F201 VanDerWaalsContact N-O 3.15Å; F149-F201 HydrophobicContact CE1-CB 4.38Å; A153-F201 HydrophobicContact CB-CB 3.97Å; A153-F201 HydrophobicContact CB-CD1 3.97Å; A153-F201 HydrophobicContact CB-CD2 3.77Å; A153-F201 HydrophobicContact CB-CE1 4.42Å; A153-F201 HydrophobicContact CB-CE2 4.23Å; A153-F201 HydrophobicContact CB-CG 3.62Å; A157-F201 HydrophobicContact CB-CE2 3.98Å; A157-F201 HydrophobicContact CB-CZ 4.23Å; L199-F201 HydrophobicContact CB-CE2 4.19Å; L199-F201 HydrophobicContact CB-CZ 4.26Å; L199-F201 HydrophobicContact CD2-CE2 4.35Å; L199-F201 HydrophobicContact CD2-CZ 4.11Å
202L87.5Confident87.9Confident2 Ų239.3 Ų39.31%0.0118%0.183CC..  trans-114.7159.4179-64.2-178.2000111.3L143 A144 V174 V200 F207 I210L143-L202 HydrophobicContact CD1-CD1 4.5Å; L143-L202 HydrophobicContact CD2-CD1 3.57Å; L143-L202 HydrophobicContact CD2-CG 4.41Å; L143-L202 HydrophobicContact CG-CD1 3.75Å; L143-L202 HydrophobicContact CG-CG 4.19Å; A144-L202 VanDerWaalsContact C-CD2 3.4Å; V174-L202 HydrophobicContact CB-CD2 3.76Å; V174-L202 HydrophobicContact CG2-CD1 4.08Å; V174-L202 HydrophobicContact CG2-CD2 3.82Å; V200-L202 HydrophobicContact CG1-CB 4.12Å; V200-L202 HydrophobicContact CG1-CD1 4.5Å; V200-L202 HydrophobicContact CG1-CG 4.26Å; L202-F207 HydrophobicContact CB-CB 4.25Å; L202-F207 HydrophobicContact CD1-CB 4.47Å; L202-F207 HydrophobicContact CD1-CD2 4.37Å; L202-I210 HydrophobicContact CD1-CG1 4.15Å
203S80.6Confident87.7Confident44 Ų4432.4 Ų32.431%0.30816%0.16SC..  trans-72.2153.7164.263.90000110.9H145 Y205 N206 F207H145-S203 PolarHBondContact CD2-N 2.94Å; H145-S203 VanDerWaalsContact CD2-N 3.28Å; H145-S203 WeakPolarHBondContact NE2-CB 3.36Å; H145-S203 PolarHBondContact NE2-N 3.1Å; H145-S203 PolarHBondContact NE2-OG 2.99Å; S203-Y205 VanDerWaalsContact C-N 3.26Å; S203-Y205 PolarHBondContact O-N 3.42Å; S203-Y205 VanDerWaalsContact O-N 3.11Å; S203-N206 PolarHBondContact O-N 3.16Å; S203-N206 VanDerWaalsContact O-N 3.13Å; S203-N206 PolarHBondContact OG-N 3.2Å; S203-N206 PolarHBondContact OG-ND2 3.31Å; S203-F207 PolarHBondContact O-N 2.99Å
204N78.4Confident87.4Confident43 Ų4331.6 Ų31.623%0.2315%0.154CC..Hα-helixtrans-47.3-46.1177.8-56.4-0.1000113.9Q208 L230 H231 L234N204-Q208 WeakPolarHBondContact O-CG 3.35Å; N204-Q208 PolarHBondContact O-N 2.86Å; N204-Q208 VanDerWaalsContact O-N 3.08Å; N204-L230 WeakPolarHBondContact ND2-CD2 3.48Å; N204-H231 HydrophobicContact CB-CB 4.11Å; N204-L234 HydrophobicContact CB-CD1 4.07Å
205Y79.1Confident86.9Confident118 Ų11830.1 Ų30.146%0.46314%0.143SC..Hα-helixtrans-64-50.9-178.9179.8-103.7000112.7S203 F207 Q208 L209S203-Y205 VanDerWaalsContact C-N 3.26Å; S203-Y205 PolarHBondContact O-N 3.42Å; S203-Y205 VanDerWaalsContact O-N 3.11Å; Y205-F207 VanDerWaalsContact C-N 3.32Å; Y205-F207 PolarHBondContact O-N 3.07Å; Y205-Q208 WeakPolarHBondContact O-CB 3.3Å; Y205-Q208 PolarHBondContact O-N 2.88Å; Y205-L209 HydrophobicContact CD1-CD1 4.09Å; Y205-L209 HydrophobicContact CE1-CD1 3.52Å; Y205-L209 HydrophobicContact CE1-CG 4.24Å; Y205-L209 PolarHBondContact O-N 2.01Å; Y205-L209 VanDerWaalsContact O-N 3.09Å
206N84Confident86Confident11 Ų1134.5 Ų34.56%0.05918%0.179CC..Hα-helixtrans-68-31.6-179.8-70.7-69.2000113H145 V174 S203 L209 I210H145-N206 VanDerWaalsContact CE1-CG 3.43Å; H145-N206 PolarHBondContact CE1-ND2 2.86Å; V174-N206 HydrophobicContact CG1-CB 4.35Å; S203-N206 PolarHBondContact O-N 3.16Å; S203-N206 VanDerWaalsContact O-N 3.13Å; S203-N206 PolarHBondContact OG-N 3.2Å; S203-N206 PolarHBondContact OG-ND2 3.31Å; N206-L209 PolarHBondContact O-N 3.07Å; N206-I210 WeakPolarHBondContact O-CG1 3.14Å; N206-I210 PolarHBondContact O-N 3.32Å; N206-I210 VanDerWaalsContact O-N 3.12Å
207F86.1Confident85.2Confident0 Ų029.8 Ų29.80%016%0.164CC..Hα-helixtrans-62.1-46.2170.7-174-117.9000111.5V200 L202 S203 Y205 L209 I210 L211 W224 H231 L245V200-F207 HydrophobicContact CB-CE2 4.49Å; V200-F207 HydrophobicContact CG1-CD2 3.58Å; V200-F207 HydrophobicContact CG1-CE2 3.77Å; V200-F207 HydrophobicContact CG1-CG 4.37Å; V200-F207 HydrophobicContact CG2-CE2 3.95Å; L202-F207 HydrophobicContact CB-CB 4.25Å; L202-F207 HydrophobicContact CD1-CB 4.47Å; L202-F207 HydrophobicContact CD1-CD2 4.37Å; S203-F207 PolarHBondContact O-N 2.99Å; Y205-F207 VanDerWaalsContact C-N 3.32Å; Y205-F207 PolarHBondContact O-N 3.07Å; F207-L209 VanDerWaalsContact C-N 3.31Å; F207-L209 PolarHBondContact O-N 3.03Å; F207-I210 PolarHBondContact O-N 3.07Å; F207-L211 HydrophobicContact CD1-CD1 3.79Å; F207-L211 HydrophobicContact CD1-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.48Å; F207-L211 VanDerWaalsContact CE1-CD1 3.48Å; F207-L211 HydrophobicContact CE1-CG 4.16Å; F207-L211 HydrophobicContact CE2-CD2 4.36Å; F207-L211 HydrophobicContact CE2-CG 4.35Å; F207-L211 HydrophobicContact CG-CD1 4.5Å; F207-L211 HydrophobicContact CZ-CD1 3.89Å; F207-L211 HydrophobicContact CZ-CD2 4.13Å; F207-L211 HydrophobicContact CZ-CG 4.15Å; F207-L211 WeakPolarHBondContact O-CG 3.46Å; F207-L211 PolarHBondContact O-N 3.2Å; F207-W224 HydrophobicContact CE2-CD2 4.49Å; F207-W224 AromaticContact CE2-CE3 3.83Å; F207-W224 HydrophobicContact CE2-CE3 3.83Å; F207-W224 HydrophobicContact CE2-CZ3 4.08Å; F207-W224 HydrophobicContact CZ-CE3 4.44Å; F207-H231 HydrophobicContact CB-CB 4.41Å; F207-H231 HydrophobicContact CD1-CB 3.75Å; F207-H231 HydrophobicContact CE1-CB 4.43Å; F207-H231 HydrophobicContact CG-CB 4.39Å; F207-L245 HydrophobicContact CE1-CD2 4.36Å; F207-L245 HydrophobicContact CZ-CD2 4.06Å
208Q84.4Confident83.8Confident42 Ų4236 Ų3620%0.19621%0.205CC..Hα-helixtrans-57.9-41.6175-74.4178.3-37.500112.2N204 Y205 I210 L211 Y212 L234 I238N204-Q208 WeakPolarHBondContact O-CG 3.35Å; N204-Q208 PolarHBondContact O-N 2.86Å; N204-Q208 VanDerWaalsContact O-N 3.08Å; Y205-Q208 WeakPolarHBondContact O-CB 3.3Å; Y205-Q208 PolarHBondContact O-N 2.88Å; Q208-I210 PolarHBondContact O-N 3.05Å; Q208-L211 WeakPolarHBondContact O-CB 3.31Å; Q208-L211 PolarHBondContact O-N 3.37Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.38Å; Q208-Y212 PolarHBondContact O-N 3.45Å; Q208-L234 PolarHBondContact NE2-O 3.27Å; Q208-L234 VanDerWaalsContact NE2-O 3.12Å; Q208-I238 HydrophobicContact CB-CD1 4.42Å; Q208-I238 HydrophobicContact CG-CD1 4.37Å
209L84.6Confident82.4Confident28 Ų2837.1 Ų37.115%0.14721%0.211CC..Hα-helixtrans-63.2-40.9177.9-67.1179.5000112.9I183 Y205 N206 F207 L211 Y212 G213I183-L209 HydrophobicContact CD1-CB 3.99Å; I183-L209 HydrophobicContact CD1-CD1 3.7Å; I183-L209 HydrophobicContact CD1-CG 4.44Å; Y205-L209 HydrophobicContact CD1-CD1 4.09Å; Y205-L209 HydrophobicContact CE1-CD1 3.52Å; Y205-L209 HydrophobicContact CE1-CG 4.24Å; Y205-L209 PolarHBondContact O-N 2.01Å; Y205-L209 VanDerWaalsContact O-N 3.09Å; N206-L209 PolarHBondContact O-N 3.07Å; F207-L209 VanDerWaalsContact C-N 3.31Å; F207-L209 PolarHBondContact O-N 3.03Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-Y212 PolarHBondContact O-N 3.49Å; L209-G213 PolarHBondContact O-N 3.41Å; L209-G213 VanDerWaalsContact O-N 3.13Å
210I87.8Confident80.8Confident0 Ų043 Ų430%025%0.252CS..Hα-helixtrans-62.2-45.4174.3-68.5-71.9000110.3L143 V174 I183 T186 M190 L202 N206 F207 Q208 Y212 G213 L214 W224L143-I210 HydrophobicContact CD2-CG2 4.18Å; V174-I210 HydrophobicContact CG2-CD1 3.88Å; V174-I210 HydrophobicContact CG2-CG1 4.13Å; I183-I210 HydrophobicContact CG2-CD1 4.16Å; T186-I210 HydrophobicContact CG2-CD1 3.99Å; M190-I210 HydrophobicContact SD-CG2 4.3Å; L202-I210 HydrophobicContact CD1-CG1 4.15Å; N206-I210 WeakPolarHBondContact O-CG1 3.14Å; N206-I210 PolarHBondContact O-N 3.32Å; N206-I210 VanDerWaalsContact O-N 3.12Å; F207-I210 PolarHBondContact O-N 3.07Å; Q208-I210 PolarHBondContact O-N 3.05Å; I210-Y212 PolarHBondContact O-N 3.03Å; I210-G213 PolarHBondContact O-N 3.49Å; I210-G213 VanDerWaalsContact O-N 3.14Å; I210-L214 HydrophobicContact CG2-CD1 3.87Å; I210-L214 HydrophobicContact CG2-CG 4.47Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 2.94Å; I210-W224 HydrophobicContact CG2-CH2 4.27Å
211L86.1Confident79.9Confident0 Ų045.2 Ų45.20%028%0.275CS..Hα-helixtrans-60.6-41.4177.6-73.3-174.4000112.9F207 Q208 L209 G213 L214 L215 A235 I241 V244 L245F207-L211 HydrophobicContact CD1-CD1 3.79Å; F207-L211 HydrophobicContact CD1-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.48Å; F207-L211 VanDerWaalsContact CE1-CD1 3.48Å; F207-L211 HydrophobicContact CE1-CG 4.16Å; F207-L211 HydrophobicContact CE2-CD2 4.36Å; F207-L211 HydrophobicContact CE2-CG 4.35Å; F207-L211 HydrophobicContact CG-CD1 4.5Å; F207-L211 HydrophobicContact CZ-CD1 3.89Å; F207-L211 HydrophobicContact CZ-CD2 4.13Å; F207-L211 HydrophobicContact CZ-CG 4.15Å; F207-L211 WeakPolarHBondContact O-CG 3.46Å; F207-L211 PolarHBondContact O-N 3.2Å; Q208-L211 WeakPolarHBondContact O-CB 3.31Å; Q208-L211 PolarHBondContact O-N 3.37Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L211-G213 VanDerWaalsContact C-N 3.33Å; L211-G213 PolarHBondContact O-N 3.04Å; L211-L214 HydrophobicContact CD2-CD1 4.32Å; L211-L214 PolarHBondContact O-N 3.48Å; L211-L215 PolarHBondContact O-N 3.41Å; L211-L215 VanDerWaalsContact O-N 3.11Å; L211-A235 HydrophobicContact CD1-CB 3.34Å; L211-I241 HydrophobicContact CB-CD1 3.61Å; L211-I241 HydrophobicContact CB-CG1 4.09Å; L211-I241 HydrophobicContact CD1-CD1 4.39Å; L211-I241 HydrophobicContact CD1-CG1 4.01Å; L211-I241 HydrophobicContact CD2-CD1 4.13Å; L211-I241 HydrophobicContact CD2-CG1 4.4Å; L211-I241 HydrophobicContact CG-CD1 4.25Å; L211-I241 HydrophobicContact CG-CG1 4.4Å; L211-I241 WeakPolarHBondContact O-CD1 3.48Å; L211-V244 HydrophobicContact CD2-CG1 3.92Å; L211-L245 HydrophobicContact CD1-CD1 4.22Å; L211-L245 HydrophobicContact CD1-CD2 4.18Å; L211-L245 HydrophobicContact CD1-CG 4.47Å; L211-L245 HydrophobicContact CD2-CD2 4.07Å
212Y84.5Confident79.6Confident125 Ų12546.1 Ų46.149%0.4928%0.28SS..Hα-helixtrans-60.1-42.1172.6-84.2-65.5000112.4Q208 L209 I210 L214 L215 I238Q208-Y212 WeakPolarHBondContact O-CD2 3.38Å; Q208-Y212 PolarHBondContact O-N 3.45Å; L209-Y212 PolarHBondContact O-N 3.49Å; I210-Y212 PolarHBondContact O-N 3.03Å; Y212-L214 VanDerWaalsContact C-N 3.27Å; Y212-L214 PolarHBondContact O-N 3.01Å; Y212-L215 HydrophobicContact CD1-CD1 4.4Å; Y212-L215 PolarHBondContact O-N 3.45Å; Y212-I238 HydrophobicContact CD1-CD1 4.5Å; Y212-I238 HydrophobicContact CD1-CG2 3.95Å; Y212-I238 HydrophobicContact CD2-CD1 4Å; Y212-I238 HydrophobicContact CE1-CB 4.41Å; Y212-I238 HydrophobicContact CE1-CD1 4.12Å; Y212-I238 HydrophobicContact CE1-CG1 4.13Å; Y212-I238 HydrophobicContact CE1-CG2 3.43Å; Y212-I238 VanDerWaalsContact CE1-CG2 3.43Å; Y212-I238 HydrophobicContact CE2-CD1 3.54Å; Y212-I238 HydrophobicContact CE2-CG1 4.09Å; Y212-I238 HydrophobicContact CG-CD1 4.45Å
213G82.8Confident79.7Confident25 Ų2546.3 Ų46.326%0.25828%0.281SS..Hα-helixtrans-63.9-33176.200000112.9L209 I210 L211L209-G213 PolarHBondContact O-N 3.41Å; L209-G213 VanDerWaalsContact O-N 3.13Å; I210-G213 PolarHBondContact O-N 3.49Å; I210-G213 VanDerWaalsContact O-N 3.14Å; L211-G213 VanDerWaalsContact C-N 3.33Å; L211-G213 PolarHBondContact O-N 3.04Å
214L84.4Confident80.2Confident1 Ų144.3 Ų44.31%0.00527%0.266CS..Hα-helixtrans-75.9-26.8178.5-67.4165.4000113.3V187 I210 L211 Y212 A216 V217 V219 W224 V244V187-L214 HydrophobicContact CG1-CD2 4.09Å; I210-L214 HydrophobicContact CG2-CD1 3.87Å; I210-L214 HydrophobicContact CG2-CG 4.47Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 2.94Å; L211-L214 HydrophobicContact CD2-CD1 4.32Å; L211-L214 PolarHBondContact O-N 3.48Å; Y212-L214 VanDerWaalsContact C-N 3.27Å; Y212-L214 PolarHBondContact O-N 3.01Å; L214-A216 PolarHBondContact O-N 2.75Å; L214-V217 CarbonylContact O-C 3.58Å; L214-V217 PolarHBondContact O-N 3.47Å; L214-V219 HydrophobicContact CD2-CB 4.08Å; L214-V219 HydrophobicContact CD2-CG1 4.33Å; L214-V219 HydrophobicContact CD2-CG2 3.48Å; L214-V219 VanDerWaalsContact CD2-CG2 3.48Å; L214-W224 HydrophobicContact CD1-CH2 3.5Å; L214-W224 HydrophobicContact CD1-CZ2 3.45Å; L214-W224 VanDerWaalsContact CD1-CZ2 3.45Å; L214-V244 HydrophobicContact CD1-CG1 4.33Å
215L80.1Confident80.9Confident65 Ų6542.2 Ų42.234%0.3426%0.255SS..Hα-helixtrans-62.4-28.3174.9-76.8172.7000113.3L211 Y212 V217 I238 I241 V244L211-L215 PolarHBondContact O-N 3.41Å; L211-L215 VanDerWaalsContact O-N 3.11Å; Y212-L215 HydrophobicContact CD1-CD1 4.4Å; Y212-L215 PolarHBondContact O-N 3.45Å; L215-V217 PolarHBondContact O-N 2.93Å; L215-I238 HydrophobicContact CD1-CG2 3.51Å; L215-I241 HydrophobicContact CD1-CD1 3.91Å; L215-I241 HydrophobicContact CD2-CB 4.48Å; L215-I241 HydrophobicContact CD2-CD1 3.8Å; L215-I241 HydrophobicContact CG-CD1 3.61Å; L215-V244 HydrophobicContact CD2-CG2 4.38Å
216A73.4Confident81.5Confident93 Ų9336.7 Ų36.777%0.76923%0.234SC*.THydrogen-bonded Turntrans-77.11.3176.600000113.1L214L214-A216 PolarHBondContact O-N 2.75Å
217V75.3Confident81.6Confident29 Ų2937.5 Ų37.518%0.17624%0.237CC..SBendtrans-140.1140.3-165.7174.40000111V187 Q191 L214 L215 V219V187-V217 HydrophobicContact CG1-CG2 4.11Å; Q191-V217 HydrophobicContact CG-CG1 3.48Å; Q191-V217 VanDerWaalsContact CG-CG1 3.48Å; L214-V217 CarbonylContact O-C 3.58Å; L214-V217 PolarHBondContact O-N 3.47Å; L215-V217 PolarHBondContact O-N 2.93Å; V217-V219 HydrophobicContact CB-CG2 4.14Å; V217-V219 HydrophobicContact CG1-CG2 3.48Å; V217-V219 VanDerWaalsContact CG1-CG2 3.48Å; V217-V219 PolarHBondContact O-N 3.09Å
218P65.9Low81.2Confident131 Ų13138.8 Ų38.885%0.85124%0.244SC*.  trans-72.791.3169.630.2-33.6000111.1
219V65.4Low80.7Confident23 Ų2336.9 Ų36.914%0.13924%0.235CC..  trans-112.688168.9-168.80000108.3L214 V217 Q222L214-V219 HydrophobicContact CD2-CB 4.08Å; L214-V219 HydrophobicContact CD2-CG1 4.33Å; L214-V219 HydrophobicContact CD2-CG2 3.48Å; L214-V219 VanDerWaalsContact CD2-CG2 3.48Å; V217-V219 HydrophobicContact CB-CG2 4.14Å; V217-V219 HydrophobicContact CG1-CG2 3.48Å; V217-V219 VanDerWaalsContact CG1-CG2 3.48Å; V217-V219 PolarHBondContact O-N 3.09Å; V219-Q222 VanDerWaalsContact CG1-CD 3.44Å; V219-Q222 HydrophobicContact CG1-CG 4.06Å
220S61.6Low80.1Confident123 Ų12339.2 Ų39.286%0.8625%0.247SC*.  trans-102.2135.9-176.2-172.20000111.1
221G73.9Confident79.4Confident47 Ų4739.2 Ų39.249%0.48525%0.247SC..SBendtrans89.210.6170.300000116.6
222Q85.9Confident78.7Confident19 Ų1939.3 Ų39.39%0.08925%0.248CC..  trans-80.1139.6170.9-74.9-178.4-7.300111.7R196 V219R196-Q222 CarbonylContact O-C 3.51Å; R196-Q222 WeakPolarHBondContact O-CA 2.82Å; V219-Q222 VanDerWaalsContact CG1-CD 3.44Å; V219-Q222 HydrophobicContact CG1-CG 4.06Å
223V89.9Confident78.2Confident5 Ų533.3 Ų33.33%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-110.4120.4173.31710000109W137 R196 V197 V198 V225 G247 F249 P433W137-V223 HydrophobicContact CH2-CG1 4Å; W137-V223 HydrophobicContact CZ2-CG1 4.34Å; R196-V223 PolarHBondContact O-N 3.42Å; V197-V223 CarbonylContact C-O 3.51Å; V197-V223 WeakPolarHBondContact CA-O 3.44Å; V198-V223 PolarHBondContact N-O 2.9Å; V223-V225 HydrophobicContact CG1-CG2 4.37Å; V223-G247 WeakPolarHBondContact CG1-O 3.26Å; V223-F249 HydrophobicContact CG1-CD2 3.72Å; V223-F249 HydrophobicContact CG1-CE2 3.95Å; V223-P433 HydrophobicContact CB-CG 4.39Å; V223-P433 HydrophobicContact CG2-CG 3.32Å
224W90.8Very high77.6Confident2 Ų234.8 Ų34.81%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-96130.3-179.2-52.976.1000109.4L143 M190 V198 V200 F207 I210 L214 V244 T248 F249L143-W224 HydrophobicContact CD2-CH2 4.48Å; L143-W224 HydrophobicContact CD2-CZ3 3.72Å; M190-W224 HydrophobicContact CE-CH2 3.24Å; M190-W224 HydrophobicContact CE-CZ2 3.91Å; M190-W224 HydrophobicContact CE-CZ3 3.91Å; M190-W224 HydrophobicContact SD-CH2 4.18Å; V198-W224 HydrophobicContact CB-CD2 4.31Å; V198-W224 HydrophobicContact CB-CE3 3.91Å; V198-W224 HydrophobicContact CB-CZ3 4.26Å; V198-W224 HydrophobicContact CG1-CE3 3.8Å; V198-W224 HydrophobicContact CG1-CZ3 3.78Å; V198-W224 CarbonylContact O-C 3.36Å; V198-W224 WeakPolarHBondContact O-CA 3.26Å; V200-W224 HydrophobicContact CG2-CB 4.29Å; V200-W224 HydrophobicContact CG2-CE3 3.58Å; V200-W224 HydrophobicContact CG2-CZ3 4.31Å; F207-W224 HydrophobicContact CE2-CD2 4.49Å; F207-W224 AromaticContact CE2-CE3 3.83Å; F207-W224 HydrophobicContact CE2-CE3 3.83Å; F207-W224 HydrophobicContact CE2-CZ3 4.08Å; F207-W224 HydrophobicContact CZ-CE3 4.44Å; I210-W224 HydrophobicContact CG2-CH2 4.27Å; L214-W224 HydrophobicContact CD1-CH2 3.5Å; L214-W224 HydrophobicContact CD1-CZ2 3.45Å; L214-W224 VanDerWaalsContact CD1-CZ2 3.45Å; W224-V244 HydrophobicContact CZ2-CG1 4.32Å; W224-V244 PolarHBondContact NE1-O 2.99Å; W224-T248 HydrophobicContact CB-CG2 3.52Å; W224-T248 HydrophobicContact CG-CG2 3.78Å; W224-T248 CarbonylContact O-C 3.58Å; W224-T248 WeakPolarHBondContact O-CA 3.43Å; W224-T248 WeakPolarHBondContact O-CB 3.4Å; W224-F249 PolarHBondContact O-N 3.25Å
225V93.6Very high77Confident0 Ų034.7 Ų34.70%023%0.225CC..EExtended strand (participates in β ladder)trans-120.5118178.6-168.90000108.3V128 L131 I132 W137 V197 V198 V200 V223 F249V128-V225 HydrophobicContact CG1-CB 4.32Å; V128-V225 HydrophobicContact CG1-CG1 3.77Å; L131-V225 HydrophobicContact CD2-CG1 3.86Å; I132-V225 HydrophobicContact CD1-CB 4.24Å; I132-V225 HydrophobicContact CD1-CG1 4.36Å; I132-V225 HydrophobicContact CD1-CG2 3.92Å; W137-V225 HydrophobicContact CH2-CG2 4.22Å; W137-V225 HydrophobicContact CZ3-CG2 3.78Å; V197-V225 HydrophobicContact CG1-CG2 4.16Å; V198-V225 PolarHBondContact O-N 3.47Å; V200-V225 PolarHBondContact N-O 2.98Å; V223-V225 HydrophobicContact CG1-CG2 4.37Å; V225-F249 WeakPolarHBondContact CA-O 3.45Å; V225-F249 HydrophobicContact CG1-CB 4.21Å; V225-F249 HydrophobicContact CG2-CB 4.45Å
226S90.6Very high76.7Confident1 Ų133.7 Ų33.71%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-130.2152.1-166.670.70000113.1D228 H231 F249 G250 L251S226-D228 VanDerWaalsContact C-N 3.32Å; S226-D228 PolarHBondContact O-N 2.92Å; S226-D228 PolarHBondContact OG-O 3.23Å; S226-H231 WeakPolarHBondContact CB-NE2 3.47Å; S226-H231 PolarHBondContact OG-NE2 3.34Å; S226-F249 PolarHBondContact N-O 3.43Å; S226-F249 PolarHBondContact OG-O 3.32Å; S226-G250 WeakPolarHBondContact O-CA 3.35Å; S226-L251 PolarHBondContact O-N 3.23Å
227K85.6Confident76.8Confident28 Ų2833.6 Ų33.612%0.12221%0.21CC..SBendtrans-72.2-20.8-173.972.8170.9-176.371.90114.9D121 V128 F149D121-K227 HydrophobicContact CB-CD 4.31Å; D121-K227 WeakPolarHBondContact OD1-CD 3.28Å; D121-K227 WeakPolarHBondContact OD1-CE 3.35Å; D121-K227 IonicContact OD1-NZ 3.36Å; D121-K227 PolarHBondContact OD1-NZ 3.29Å; V128-K227 HydrophobicContact CG2-CB 4.35Å; F149-K227 HydrophobicContact CZ-CD 4.04Å
228D79Confident76.9Confident28 Ų2832.4 Ų32.415%0.1520%0.203CC..  trans-139.1164.7178.866.569.4000111S226 L230 H231 L251S226-D228 VanDerWaalsContact C-N 3.32Å; S226-D228 PolarHBondContact O-N 2.92Å; S226-D228 PolarHBondContact OG-O 3.23Å; D228-L230 PolarHBondContact OD1-N 3.46Å; D228-H231 PolarHBondContact O-CD2 2.94Å; D228-H231 PolarHBondContact O-CE1 3.34Å; D228-H231 PolarHBondContact O-NE2 3.12Å; D228-H231 IonicContact OD1-CD2 2.79Å; D228-H231 IonicContact OD1-CE1 3.92Å; D228-H231 PolarHBondContact OD1-CE1 3.01Å; D228-H231 IonicContact OD1-CG 2.85Å; D228-H231 PolarHBondContact OD1-N 3.32Å; D228-H231 IonicContact OD1-ND1 2.84Å; D228-H231 PolarHBondContact OD1-ND1 3.29Å; D228-H231 VanDerWaalsContact OD1-ND1 3.16Å; D228-H231 IonicContact OD1-NE2 3.77Å; D228-H231 PolarHBondContact OD1-NE2 3.3Å; D228-H231 IonicContact OD2-CE1 3.53Å; D228-H231 PolarHBondContact OD2-CE1 3.16Å; D228-H231 IonicContact OD2-ND1 3.91Å; D228-L251 CarbonylContact C-O 3.57Å; D228-L251 WeakPolarHBondContact CA-O 3.45Å
229T74.5Confident77.6Confident2 Ų231.7 Ų31.71%0.01220%0.198CC..SBendtrans-95.3-8.1176.455.30000113.1M232 A233 L251 L252 V321 F394T229-M232 HydrophobicContact CG2-CE 3.86Å; T229-M232 PolarHBondContact O-N 3.08Å; T229-A233 PolarHBondContact O-N 3.38Å; T229-L251 PolarHBondContact N-O 3.35Å; T229-L252 HydrophobicContact CG2-CB 4.18Å; T229-V321 WeakPolarHBondContact OG1-CG1 3.03Å; T229-F394 HydrophobicContact CG2-CB 3.85Å; T229-F394 HydrophobicContact CG2-CD2 4.02Å; T229-F394 HydrophobicContact CG2-CG 4.08Å
230L70.9Confident78.2Confident77 Ų7732.4 Ų32.440%0.40321%0.21SC..Hα-helixtrans-70.9-42.8-171.6-17860.9000111.5N204 D228 M232 A233 L234 V321N204-L230 WeakPolarHBondContact ND2-CD2 3.48Å; D228-L230 PolarHBondContact OD1-N 3.46Å; L230-M232 VanDerWaalsContact C-N 3.25Å; L230-M232 PolarHBondContact O-N 3.49Å; L230-A233 PolarHBondContact O-N 2.87Å; L230-L234 HydrophobicContact CD1-CD1 4.2Å; L230-L234 HydrophobicContact CD1-CG 4.16Å; L230-L234 HydrophobicContact CG-CD1 3.99Å; L230-L234 HydrophobicContact CG-CG 4.39Å; L230-L234 WeakPolarHBondContact O-CB 3.21Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.27Å; L230-L234 PolarHBondContact O-N 3.38Å; L230-V321 HydrophobicContact CB-CG1 4.29Å; L230-V321 HydrophobicContact CD1-CG1 4.17Å
231H72.2Confident79.1Confident0 Ų026.6 Ų26.60%017%0.169CC..Hα-helixtrans-65.8-27.4175.647.3-130.3000113.4N204 F207 S226 D228 A235N204-H231 HydrophobicContact CB-CB 4.11Å; F207-H231 HydrophobicContact CB-CB 4.41Å; F207-H231 HydrophobicContact CD1-CB 3.75Å; F207-H231 HydrophobicContact CE1-CB 4.43Å; F207-H231 HydrophobicContact CG-CB 4.39Å; S226-H231 WeakPolarHBondContact CB-NE2 3.47Å; S226-H231 PolarHBondContact OG-NE2 3.34Å; D228-H231 PolarHBondContact O-CD2 2.94Å; D228-H231 PolarHBondContact O-CE1 3.34Å; D228-H231 PolarHBondContact O-NE2 3.12Å; D228-H231 IonicContact OD1-CD2 2.79Å; D228-H231 IonicContact OD1-CE1 3.92Å; D228-H231 PolarHBondContact OD1-CE1 3.01Å; D228-H231 IonicContact OD1-CG 2.85Å; D228-H231 PolarHBondContact OD1-N 3.32Å; D228-H231 IonicContact OD1-ND1 2.84Å; D228-H231 PolarHBondContact OD1-ND1 3.29Å; D228-H231 VanDerWaalsContact OD1-ND1 3.16Å; D228-H231 IonicContact OD1-NE2 3.77Å; D228-H231 PolarHBondContact OD1-NE2 3.3Å; D228-H231 IonicContact OD2-CE1 3.53Å; D228-H231 PolarHBondContact OD2-CE1 3.16Å; D228-H231 IonicContact OD2-ND1 3.91Å; H231-A235 VanDerWaalsContact O-CB 3.28Å; H231-A235 WeakPolarHBondContact O-CB 3.33Å; H231-A235 PolarHBondContact O-N 2.8Å
232M73.1Confident79.3Confident1 Ų125.8 Ų25.81%0.00516%0.156CC..Hα-helixtrans-74.4-45.9175-68.2-172.1-64.700110.2T229 L230 L234 A235 L236 L406T229-M232 HydrophobicContact CG2-CE 3.86Å; T229-M232 PolarHBondContact O-N 3.08Å; L230-M232 VanDerWaalsContact C-N 3.25Å; L230-M232 PolarHBondContact O-N 3.49Å; M232-L234 PolarHBondContact O-N 3.49Å; M232-A235 WeakPolarHBondContact O-CB 3.49Å; M232-A235 PolarHBondContact O-N 3.08Å; M232-A235 VanDerWaalsContact O-N 3.14Å; M232-L236 WeakPolarHBondContact O-CG 3.41Å; M232-L236 PolarHBondContact O-N 2.9Å; M232-L236 VanDerWaalsContact O-N 3.15Å; M232-L406 HydrophobicContact CE-CD2 3.98Å; M232-L406 HydrophobicContact SD-CD2 4.42Å
233A72.4Confident78.9Confident0 Ų031.9 Ų31.90%018%0.184CC..Hα-helixtrans-58.2-49.917600000111.3T229 L230 A235 L236 F318 V321T229-A233 PolarHBondContact O-N 3.38Å; L230-A233 PolarHBondContact O-N 2.87Å; A233-A235 PolarHBondContact O-N 3.31Å; A233-L236 WeakPolarHBondContact O-CB 3.32Å; A233-L236 PolarHBondContact O-N 3.4Å; A233-F318 HydrophobicContact CB-CB 4.07Å; A233-F318 HydrophobicContact CB-CD1 3.89Å; A233-F318 HydrophobicContact CB-CD2 4.18Å; A233-F318 HydrophobicContact CB-CE1 4.43Å; A233-F318 HydrophobicContact CB-CG 3.75Å; A233-F318 WeakPolarHBondContact O-CE1 3.3Å; A233-F318 WeakPolarHBondContact O-CE2 2.96Å; A233-F318 WeakPolarHBondContact O-CZ 3.25Å; A233-V321 HydrophobicContact CB-CB 4.1Å; A233-V321 HydrophobicContact CB-CG1 3.96Å; A233-V321 HydrophobicContact CB-CG2 4.05Å
234L71.6Confident78.5Confident55 Ų5532.4 Ų32.429%0.28819%0.188SC..Hα-helixtrans-62.6-30.5176.3-70.2173.6000113N204 Q208 L230 M232 L236 T237N204-L234 HydrophobicContact CB-CD1 4.07Å; Q208-L234 PolarHBondContact NE2-O 3.27Å; Q208-L234 VanDerWaalsContact NE2-O 3.12Å; L230-L234 HydrophobicContact CD1-CD1 4.2Å; L230-L234 HydrophobicContact CD1-CG 4.16Å; L230-L234 HydrophobicContact CG-CD1 3.99Å; L230-L234 HydrophobicContact CG-CG 4.39Å; L230-L234 WeakPolarHBondContact O-CB 3.21Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.27Å; L230-L234 PolarHBondContact O-N 3.38Å; M232-L234 PolarHBondContact O-N 3.49Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-T237 PolarHBondContact O-OG1 3Å
235A71.1Confident78.1Confident0 Ų032.3 Ų32.30%019%0.187CC..Hα-helixtrans-67.2-35.6174.300000111.6L211 H231 M232 A233 T237 I238 I241 L245L211-A235 HydrophobicContact CD1-CB 3.34Å; H231-A235 VanDerWaalsContact O-CB 3.28Å; H231-A235 WeakPolarHBondContact O-CB 3.33Å; H231-A235 PolarHBondContact O-N 2.8Å; M232-A235 WeakPolarHBondContact O-CB 3.49Å; M232-A235 PolarHBondContact O-N 3.08Å; M232-A235 VanDerWaalsContact O-N 3.14Å; A233-A235 PolarHBondContact O-N 3.31Å; A235-T237 PolarHBondContact O-N 2.98Å; A235-I238 WeakPolarHBondContact O-CB 3.25Å; A235-I238 WeakPolarHBondContact O-CG1 3.39Å; A235-I238 PolarHBondContact O-N 3.37Å; A235-I241 WeakPolarHBondContact O-CG2 3.41Å; A235-L245 HydrophobicContact CB-CD1 3.66Å
236L74.1Confident77.4Confident44 Ų4437.5 Ų37.523%0.2321%0.212CC..THydrogen-bonded Turntrans-61-13.7-178.3-65.3170.4000114.9M232 A233 L234 I238 L245 F318 F404M232-L236 WeakPolarHBondContact O-CG 3.41Å; M232-L236 PolarHBondContact O-N 2.9Å; M232-L236 VanDerWaalsContact O-N 3.15Å; A233-L236 WeakPolarHBondContact O-CB 3.32Å; A233-L236 PolarHBondContact O-N 3.4Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L236-I238 PolarHBondContact O-N 2.91Å; L236-L245 HydrophobicContact CD2-CD1 4.44Å; L236-F318 HydrophobicContact CB-CE1 4.13Å; L236-F318 HydrophobicContact CB-CZ 4.43Å; L236-F318 HydrophobicContact CD1-CE1 4.49Å; L236-F404 HydrophobicContact CD1-CD1 3.41Å; L236-F404 VanDerWaalsContact CD1-CD1 3.41Å; L236-F404 HydrophobicContact CD1-CE1 3.69Å; L236-F404 HydrophobicContact CD1-CG 4.46Å; L236-F404 HydrophobicContact CD2-CB 4.1Å; L236-F404 HydrophobicContact CD2-CD1 3.24Å; L236-F404 HydrophobicContact CD2-CD2 4.25Å; L236-F404 HydrophobicContact CD2-CE1 3.53Å; L236-F404 HydrophobicContact CD2-CE2 4.47Å; L236-F404 HydrophobicContact CD2-CG 3.61Å; L236-F404 HydrophobicContact CD2-CZ 4.12Å; L236-F404 HydrophobicContact CG-CD1 3.93Å; L236-F404 HydrophobicContact CG-CE1 4.11Å
237T74.4Confident76.9Confident90 Ų9038.3 Ų38.355%0.55222%0.22SC*.THydrogen-bonded Turntrans-69.5-16169.765.20000112.7L234 A235 P239 F318L234-T237 PolarHBondContact O-OG1 3Å; A235-T237 PolarHBondContact O-N 2.98Å; T237-P239 WeakPolarHBondContact O-CD 3.48Å; T237-F318 HydrophobicContact CG2-CE2 3.7Å; T237-F318 HydrophobicContact CG2-CZ 3.53Å
238I78.6Confident77.1Confident5 Ų537 Ų373%0.02621%0.214CC..SBendtrans-83120.7-178.6-55172.4000109.2Q208 Y212 L215 A235 L236 G240 I241Q208-I238 HydrophobicContact CB-CD1 4.42Å; Q208-I238 HydrophobicContact CG-CD1 4.37Å; Y212-I238 HydrophobicContact CD1-CD1 4.5Å; Y212-I238 HydrophobicContact CD1-CG2 3.95Å; Y212-I238 HydrophobicContact CD2-CD1 4Å; Y212-I238 HydrophobicContact CE1-CB 4.41Å; Y212-I238 HydrophobicContact CE1-CD1 4.12Å; Y212-I238 HydrophobicContact CE1-CG1 4.13Å; Y212-I238 HydrophobicContact CE1-CG2 3.43Å; Y212-I238 VanDerWaalsContact CE1-CG2 3.43Å; Y212-I238 HydrophobicContact CE2-CD1 3.54Å; Y212-I238 HydrophobicContact CE2-CG1 4.09Å; Y212-I238 HydrophobicContact CG-CD1 4.45Å; L215-I238 HydrophobicContact CD1-CG2 3.51Å; A235-I238 WeakPolarHBondContact O-CB 3.25Å; A235-I238 WeakPolarHBondContact O-CG1 3.39Å; A235-I238 PolarHBondContact O-N 3.37Å; L236-I238 PolarHBondContact O-N 2.91Å; I238-G240 PolarHBondContact O-N 3.46Å; I238-I241 HydrophobicContact CB-CB 4.09Å; I238-I241 HydrophobicContact CB-CG2 4.13Å; I238-I241 HydrophobicContact CG2-CB 4.34Å; I238-I241 WeakPolarHBondContact O-CG2 3.35Å; I238-I241 PolarHBondContact O-N 2.95Å
239P79.4Confident77.7Confident115 Ų11535.6 Ų35.675%0.74721%0.207SC*.THydrogen-bonded Turntrans-57.2131.6177.9-24.634.4000112.1T237 I241T237-P239 WeakPolarHBondContact O-CD 3.48Å; P239-I241 VanDerWaalsContact C-N 3.31Å; P239-I241 PolarHBondContact O-N 2.8Å
240G78.7Confident78.4Confident38 Ų3835.6 Ų35.639%0.39221%0.207SC..THydrogen-bonded Turntrans84.2-12.1176.600000115.9I238 S242 Q243I238-G240 PolarHBondContact O-N 3.46Å; G240-S242 PolarHBondContact O-N 3.23Å; G240-Q243 PolarHBondContact O-N 3.29Å
241I81.4Confident79.2Confident1 Ų132 Ų321%0.00519%0.188CC..G310 helixtrans-70.3-19.2-173.6-154.263.7000114.4L211 L215 A235 I238 P239 Q243 V244 L245L211-I241 HydrophobicContact CB-CD1 3.61Å; L211-I241 HydrophobicContact CB-CG1 4.09Å; L211-I241 HydrophobicContact CD1-CD1 4.39Å; L211-I241 HydrophobicContact CD1-CG1 4.01Å; L211-I241 HydrophobicContact CD2-CD1 4.13Å; L211-I241 HydrophobicContact CD2-CG1 4.4Å; L211-I241 HydrophobicContact CG-CD1 4.25Å; L211-I241 HydrophobicContact CG-CG1 4.4Å; L211-I241 WeakPolarHBondContact O-CD1 3.48Å; L215-I241 HydrophobicContact CD1-CD1 3.91Å; L215-I241 HydrophobicContact CD2-CB 4.48Å; L215-I241 HydrophobicContact CD2-CD1 3.8Å; L215-I241 HydrophobicContact CG-CD1 3.61Å; A235-I241 WeakPolarHBondContact O-CG2 3.41Å; I238-I241 HydrophobicContact CB-CB 4.09Å; I238-I241 HydrophobicContact CB-CG2 4.13Å; I238-I241 HydrophobicContact CG2-CB 4.34Å; I238-I241 WeakPolarHBondContact O-CG2 3.35Å; I238-I241 PolarHBondContact O-N 2.95Å; P239-I241 VanDerWaalsContact C-N 3.31Å; P239-I241 PolarHBondContact O-N 2.8Å; I241-Q243 PolarHBondContact O-N 3.32Å; I241-Q243 VanDerWaalsContact O-N 3.08Å; I241-V244 HydrophobicContact CD1-CB 4Å; I241-V244 HydrophobicContact CD1-CG2 3.91Å; I241-V244 HydrophobicContact CG1-CB 4.43Å; I241-V244 WeakPolarHBondContact O-CB 3.48Å; I241-V244 PolarHBondContact O-N 3.44Å; I241-L245 HydrophobicContact CG1-CD1 4.35Å; I241-L245 HydrophobicContact CG1-CG 4.38Å; I241-L245 HydrophobicContact CG2-CD1 4.22Å; I241-L245 PolarHBondContact O-N 3.31Å
242S78.3Confident79.8Confident30 Ų3033 Ų3321%0.2119%0.194CC..G310 helixtrans-58.1-22.817756.50000112.7G240 Q246G240-S242 PolarHBondContact O-N 3.23Å; S242-Q246 PolarHBondContact O-N 3.14Å
243Q77.2Confident80.1Confident147 Ų14735.6 Ų35.669%0.68720%0.203SC*.G310 helixtrans-71.4-34.1173.1-59.8-1787.700112.6G240 I241G240-Q243 PolarHBondContact O-N 3.29Å; I241-Q243 PolarHBondContact O-N 3.32Å; I241-Q243 VanDerWaalsContact O-N 3.08Å
244V80.8Confident80.3Confident16 Ų1639.4 Ų39.410%0.09722%0.221CC..THydrogen-bonded Turntrans-80-34.8178.7-177.60000110.9L211 L214 L215 W224 I241 Q246L211-V244 HydrophobicContact CD2-CG1 3.92Å; L214-V244 HydrophobicContact CD1-CG1 4.33Å; L215-V244 HydrophobicContact CD2-CG2 4.38Å; W224-V244 HydrophobicContact CZ2-CG1 4.32Å; W224-V244 PolarHBondContact NE1-O 2.99Å; I241-V244 HydrophobicContact CD1-CB 4Å; I241-V244 HydrophobicContact CD1-CG2 3.91Å; I241-V244 HydrophobicContact CG1-CB 4.43Å; I241-V244 WeakPolarHBondContact O-CB 3.48Å; I241-V244 PolarHBondContact O-N 3.44Å; V244-Q246 VanDerWaalsContact C-N 3.35Å
245L82.5Confident80.2Confident0 Ų038.2 Ų38.20%022%0.217CC..SBendtrans-90.58.4-177.5-64.2178.5000114.2F207 L211 A235 L236 I241 G247 T248 F404F207-L245 HydrophobicContact CE1-CD2 4.36Å; F207-L245 HydrophobicContact CZ-CD2 4.06Å; L211-L245 HydrophobicContact CD1-CD1 4.22Å; L211-L245 HydrophobicContact CD1-CD2 4.18Å; L211-L245 HydrophobicContact CD1-CG 4.47Å; L211-L245 HydrophobicContact CD2-CD2 4.07Å; A235-L245 HydrophobicContact CB-CD1 3.66Å; L236-L245 HydrophobicContact CD2-CD1 4.44Å; I241-L245 HydrophobicContact CG1-CD1 4.35Å; I241-L245 HydrophobicContact CG1-CG 4.38Å; I241-L245 HydrophobicContact CG2-CD1 4.22Å; I241-L245 PolarHBondContact O-N 3.31Å; L245-G247 PolarHBondContact O-N 2.86Å; L245-T248 VanDerWaalsContact C-CG2 3.48Å; L245-T248 HydrophobicContact CB-CG2 4.15Å; L245-T248 HydrophobicContact CD2-CG2 3.98Å; L245-T248 WeakPolarHBondContact O-CB 3.42Å; L245-T248 WeakPolarHBondContact O-CG2 3.36Å; L245-T248 PolarHBondContact O-N 3.28Å; L245-T248 PolarHBondContact O-OG1 2.9Å; L245-F404 HydrophobicContact CB-CE2 4.2Å; L245-F404 HydrophobicContact CB-CZ 4.03Å; L245-F404 WeakPolarHBondContact O-CE2 3.4Å; L245-F404 WeakPolarHBondContact O-CZ 3.14Å
246Q79.9Confident80.4Confident110 Ų11038.4 Ų38.451%0.51422%0.218SC..THydrogen-bonded Turntrans-65.9128.3178.4-174.4170.1-7.600111.1S242 V244 T248S242-Q246 PolarHBondContact O-N 3.14Å; V244-Q246 VanDerWaalsContact C-N 3.35Å; Q246-T248 VanDerWaalsContact C-N 3.26Å; Q246-T248 PolarHBondContact O-N 3.08Å
247G79.6Confident80.6Confident17 Ų1745.3 Ų45.318%0.17524%0.242CC..THydrogen-bonded Turntrans75.311.7179.500000114.5V223 L245 F249 G396V223-G247 WeakPolarHBondContact CG1-O 3.26Å; L245-G247 PolarHBondContact O-N 2.86Å; G247-F249 WeakPolarHBondContact O-CE2 3.35Å; G247-G396 WeakPolarHBondContact CA-O 3.17Å; G247-G396 PolarHBondContact N-O 3.2Å
248T88.9Confident81.1Confident0 Ų041.3 Ų41.30%022%0.218CC..  trans-72.3153177.953.60000112.6W224 L245 Q246 Q395 G396W224-T248 HydrophobicContact CB-CG2 3.52Å; W224-T248 HydrophobicContact CG-CG2 3.78Å; W224-T248 CarbonylContact O-C 3.58Å; W224-T248 WeakPolarHBondContact O-CA 3.43Å; W224-T248 WeakPolarHBondContact O-CB 3.4Å; L245-T248 VanDerWaalsContact C-CG2 3.48Å; L245-T248 HydrophobicContact CB-CG2 4.15Å; L245-T248 HydrophobicContact CD2-CG2 3.98Å; L245-T248 WeakPolarHBondContact O-CB 3.42Å; L245-T248 WeakPolarHBondContact O-CG2 3.36Å; L245-T248 PolarHBondContact O-N 3.28Å; L245-T248 PolarHBondContact O-OG1 2.9Å; Q246-T248 VanDerWaalsContact C-N 3.26Å; Q246-T248 PolarHBondContact O-N 3.08Å; T248-Q395 CarbonylContact O-C 3.55Å; T248-Q395 WeakPolarHBondContact O-CA 3.37Å; T248-G396 PolarHBondContact O-N 3.07Å
249F91.1Very high81.4Confident0 Ų046.2 Ų46.20%024%0.243CC..EExtended strand (participates in β ladder)trans-116.9139.2177.7-66.2-87.5000110.8L131 F135 W137 V223 W224 V225 S226 G247 I393 F394 Q395 V409 L430 V432L131-F249 HydrophobicContact CD2-CB 3.93Å; L131-F249 HydrophobicContact CD2-CD1 4.32Å; L131-F249 HydrophobicContact CD2-CG 4.18Å; F135-F249 HydrophobicContact CE2-CD1 4.39Å; F135-F249 HydrophobicContact CE2-CE1 4Å; F135-F249 HydrophobicContact CE2-CE2 4.21Å; F135-F249 AromaticContact CE2-CZ 3.9Å; F135-F249 HydrophobicContact CE2-CZ 3.9Å; F135-F249 AromaticContact CZ-CE1 3.91Å; F135-F249 HydrophobicContact CZ-CE1 3.91Å; F135-F249 AromaticContact CZ-CZ 3.89Å; F135-F249 HydrophobicContact CZ-CZ 3.89Å; W137-F249 HydrophobicContact CH2-CD2 4.14Å; W137-F249 AromaticContact CH2-CE2 3.99Å; W137-F249 HydrophobicContact CH2-CE2 3.99Å; V223-F249 HydrophobicContact CG1-CD2 3.72Å; V223-F249 HydrophobicContact CG1-CE2 3.95Å; W224-F249 PolarHBondContact O-N 3.25Å; V225-F249 WeakPolarHBondContact CA-O 3.45Å; V225-F249 HydrophobicContact CG1-CB 4.21Å; V225-F249 HydrophobicContact CG2-CB 4.45Å; S226-F249 PolarHBondContact N-O 3.43Å; S226-F249 PolarHBondContact OG-O 3.32Å; G247-F249 WeakPolarHBondContact O-CE2 3.35Å; F249-I393 HydrophobicContact CD1-CG2 3.93Å; F249-F394 CarbonylContact C-O 3.58Å; F249-F394 VanDerWaalsContact CA-O 3.28Å; F249-F394 WeakPolarHBondContact CA-O 3.48Å; F249-Q395 HydrophobicContact CD1-CB 4.19Å; F249-Q395 HydrophobicContact CD1-CG 4.2Å; F249-Q395 HydrophobicContact CE1-CB 4.02Å; F249-Q395 HydrophobicContact CE1-CG 3.82Å; F249-Q395 HydrophobicContact CZ-CG 4.02Å; F249-V409 HydrophobicContact CE1-CG2 4.34Å; F249-L430 HydrophobicContact CE1-CD2 3.82Å; F249-L430 HydrophobicContact CZ-CD2 4.06Å; F249-V432 HydrophobicContact CE2-CG1 4.05Å; F249-V432 HydrophobicContact CZ-CG1 3.69Å
250G90Very high81.7Confident1 Ų142 Ų421%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-141.5153.7167.100000111.7S226 F394S226-G250 WeakPolarHBondContact O-CA 3.35Å; G250-F394 PolarHBondContact N-O 2.7Å; G250-F394 PolarHBondContact O-N 3.34Å
251L88.6Confident82Confident2 Ų240.4 Ų40.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-97.7140.7179.8-55.8-177.4000109.7A127 V128 S226 D228 T229 F391 I393 I412A127-L251 HydrophobicContact CB-CD1 3.56Å; V128-L251 HydrophobicContact CG2-CD1 3.74Å; V128-L251 HydrophobicContact CG2-CG 4.32Å; S226-L251 PolarHBondContact O-N 3.23Å; D228-L251 CarbonylContact C-O 3.57Å; D228-L251 WeakPolarHBondContact CA-O 3.45Å; T229-L251 PolarHBondContact N-O 3.35Å; L251-F391 HydrophobicContact CB-CB 4.43Å; L251-F391 HydrophobicContact CB-CD1 4.35Å; L251-I393 HydrophobicContact CD2-CG1 3.93Å; L251-I412 HydrophobicContact CD1-CD1 4.33Å; L251-I412 HydrophobicContact CD2-CD1 3.85Å
252L84.7Confident82Confident22 Ų2244 Ų4412%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-124.5119168.7-172.762.6000107T229 H254 K323 F391 D392 F394T229-L252 HydrophobicContact CG2-CB 4.18Å; L252-H254 PolarHBondContact O-N 3.22Å; L252-K323 VanDerWaalsContact CD1-CE 3.41Å; L252-F391 CarbonylContact O-C 3.48Å; L252-F391 WeakPolarHBondContact O-CA 3.25Å; L252-D392 PolarHBondContact N-O 3.05Å; L252-D392 PolarHBondContact O-N 2.9Å; L252-F394 HydrophobicContact CB-CD2 3.88Å; L252-F394 HydrophobicContact CB-CE2 3.71Å; L252-F394 HydrophobicContact CD2-CE2 3.73Å; L252-F394 HydrophobicContact CD2-CZ 4.12Å; L252-F394 HydrophobicContact CG-CE2 4.37Å
253Y79.8Confident82.4Confident54 Ų5447.7 Ų47.721%0.21224%0.24CC..EExtended strand (participates in β ladder)trans-59.1135.217460.2-84.5000109.3L118 S255 K323L118-Y253 HydrophobicContact CB-CE2 4.25Å; Y253-S255 PolarHBondContact O-N 2.88Å; Y253-S255 VanDerWaalsContact O-N 3.15Å; Y253-K323 HydrophobicContact CE1-CD 4.12Å; Y253-K323 VanDerWaalsContact CE1-NZ 3.28Å; Y253-K323 HydrophobicContact CE2-CD 3.88Å; Y253-K323 PolarHBondContact O-NZ 2.96Å; Y253-K323 VanDerWaalsContact OH-CD 3.22Å; Y253-K323 WeakPolarHBondContact OH-CD 3.4Å
254H74.8Confident82.8Confident81 Ų8142.4 Ų42.438%0.37522%0.215SC..  trans-69.1111.5177-161.679.3000107.5L252 T389 K390 D392L252-H254 PolarHBondContact O-N 3.22Å; H254-T389 PolarHBondContact O-OG1 2.79Å; H254-K390 HydrophobicContact CB-CB 4.1Å; H254-K390 WeakPolarHBondContact CB-O 3.35Å; H254-K390 PolarHBondContact N-O 2.93Å; H254-D392 IonicContact CE1-OD2 3.41Å; H254-D392 IonicContact CG-OD2 2.81Å; H254-D392 IonicContact ND1-OD1 2.74Å; H254-D392 IonicContact ND1-OD2 3.38Å; H254-D392 PolarHBondContact ND1-OD2 3.44Å
255S71.1Confident83Confident30 Ų3042.6 Ų42.621%0.2122%0.215CC..  trans-118.3144.9-178.554.50000110.5Y253 K323Y253-S255 PolarHBondContact O-N 2.88Å; Y253-S255 VanDerWaalsContact O-N 3.15Å; S255-K323 WeakPolarHBondContact OG-CE 3.32Å; S255-K323 PolarHBondContact OG-NZ 2.79Å
256S74.9Confident83.1Confident3 Ų343.4 Ų43.42%0.02122%0.222CC..  trans-58.8139.6175.865.10000110.9T329 T373 D375S256-T329 PolarHBondContact OG-OG1 3.31Å; S256-T373 WeakPolarHBondContact CB-OG1 3.29Å; S256-D375 VanDerWaalsContact CA-OD2 3.23Å; S256-D375 WeakPolarHBondContact CA-OD2 3.37Å
257R78.8Confident83.4Confident190 Ų19043.3 Ų43.372%0.71722%0.221SC*.  trans-94.4126.9174.5-65.7-177.6-178-175.3-0110.8I259 D325 D375R257-I259 PolarHBondContact O-N 3.4Å; R257-D325 VanDerWaalsContact CA-OD2 3.25Å; R257-D325 WeakPolarHBondContact CA-OD2 3.46Å; R257-D375 PolarHBondContact N-OD2 2.9Å
258A83.9Confident83.6Confident6 Ų643 Ų435%0.0522%0.216CC..  trans-73.49517000000110.3F12 G260 F261 D325 Y328F12-A258 HydrophobicContact CD1-CB 4.23Å; F12-A258 HydrophobicContact CE1-CB 3.98Å; A258-G260 PolarHBondContact O-N 2.95Å; A258-F261 HydrophobicContact CB-CB 3.71Å; A258-F261 HydrophobicContact CB-CG 4.36Å; A258-F261 VanDerWaalsContact O-CB 3.32Å; A258-F261 WeakPolarHBondContact O-CB 3.32Å; A258-F261 PolarHBondContact O-N 3.47Å; A258-D325 HydrophobicContact CB-CB 3.6Å; A258-D325 PolarHBondContact N-OD2 3.31Å; A258-Y328 HydrophobicContact CB-CD1 4.23Å; A258-Y328 HydrophobicContact CB-CD2 3.62Å; A258-Y328 HydrophobicContact CB-CE1 4.46Å; A258-Y328 HydrophobicContact CB-CE2 3.89Å; A258-Y328 HydrophobicContact CB-CG 3.81Å
259I84.1Confident83.5Confident107 Ų10745.9 Ų45.955%0.54923%0.227SC..THydrogen-bonded Turntrans-62.7127.9178.5-58.1173.1000109F12 R257 F261 D375F12-I259 WeakPolarHBondContact CZ-O 3.36Å; R257-I259 PolarHBondContact O-N 3.4Å; I259-F261 VanDerWaalsContact C-N 3.34Å; I259-D375 HydrophobicContact CD1-CB 4.09Å; I259-D375 HydrophobicContact CG1-CB 4.36Å
260G85.8Confident83.3Confident28 Ų2846.6 Ų46.629%0.28923%0.231SC..THydrogen-bonded Turntrans88.7-6.6-179.500000114.9A258 E263 F264A258-G260 PolarHBondContact O-N 2.95Å; G260-E263 WeakPolarHBondContact CA-OE2 3.42Å; G260-E263 WeakPolarHBondContact O-CB 3.33Å; G260-E263 PolarHBondContact O-N 3Å; G260-F264 PolarHBondContact O-N 3.37Å
261F85.7Confident83.1Confident4 Ų450.9 Ų50.92%0.01826%0.261CS..Hα-helixtrans-67.4-40.4-179.5-179-120.7000114.4Q8 S9 F12 A258 I259 E263 F264 L265 I324 D325Q8-F261 HydrophobicContact CB-CE2 4.37Å; Q8-F261 HydrophobicContact CB-CZ 4.42Å; S9-F261 VanDerWaalsContact CA-CE2 3.41Å; S9-F261 VanDerWaalsContact CA-CZ 3.47Å; F12-F261 HydrophobicContact CB-CD2 3.64Å; F12-F261 HydrophobicContact CB-CE2 3.93Å; F12-F261 HydrophobicContact CD1-CB 4.02Å; F12-F261 AromaticContact CD1-CD2 3.86Å; F12-F261 HydrophobicContact CD1-CD2 3.86Å; F12-F261 HydrophobicContact CD1-CG 4.3Å; F12-F261 HydrophobicContact CD2-CD2 4.21Å; F12-F261 HydrophobicContact CE1-CB 4.01Å; F12-F261 HydrophobicContact CG-CB 4.42Å; F12-F261 AromaticContact CG-CD2 3.62Å; F12-F261 HydrophobicContact CG-CD2 3.62Å; F12-F261 HydrophobicContact CG-CE2 4.4Å; F12-F261 HydrophobicContact CG-CG 4.45Å; F12-F261 HydrophobicContact CZ-CB 4.38Å; A258-F261 HydrophobicContact CB-CB 3.71Å; A258-F261 HydrophobicContact CB-CG 4.36Å; A258-F261 VanDerWaalsContact O-CB 3.32Å; A258-F261 WeakPolarHBondContact O-CB 3.32Å; A258-F261 PolarHBondContact O-N 3.47Å; I259-F261 VanDerWaalsContact C-N 3.34Å; F261-E263 VanDerWaalsContact C-N 3.26Å; F261-E263 PolarHBondContact O-N 3.31Å; F261-F264 HydrophobicContact CD2-CB 4.42Å; F261-F264 AromaticContact CD2-CD1 3.94Å; F261-F264 HydrophobicContact CD2-CD1 3.94Å; F261-F264 AromaticContact CE2-CD1 3.88Å; F261-F264 HydrophobicContact CE2-CD1 3.88Å; F261-F264 HydrophobicContact CE2-CE1 4.4Å; F261-F264 WeakPolarHBondContact O-CB 3.41Å; F261-F264 PolarHBondContact O-N 2.89Å; F261-L265 HydrophobicContact CD1-CD1 4.24Å; F261-L265 HydrophobicContact CD2-CG 4.32Å; F261-L265 HydrophobicContact CE1-CD1 3.62Å; F261-L265 HydrophobicContact CE1-CG 4.07Å; F261-L265 HydrophobicContact CE2-CD1 4.27Å; F261-L265 HydrophobicContact CE2-CD2 3.85Å; F261-L265 HydrophobicContact CE2-CG 3.79Å; F261-L265 HydrophobicContact CZ-CD1 3.64Å; F261-L265 HydrophobicContact CZ-CD2 3.73Å; F261-L265 HydrophobicContact CZ-CG 3.67Å; F261-L265 PolarHBondContact O-N 2.97Å; F261-I324 HydrophobicContact CD1-CB 4.32Å; F261-I324 HydrophobicContact CD1-CG2 4.4Å; F261-I324 HydrophobicContact CE1-CB 3.85Å; F261-I324 HydrophobicContact CE1-CG2 3.56Å; F261-I324 WeakPolarHBondContact CE1-O 3.1Å; F261-I324 HydrophobicContact CZ-CG2 4.37Å; F261-D325 HydrophobicContact CD1-CB 4.29Å
262P82.6Confident82.9Confident77 Ų7757 Ų5750%0.529%0.29SS..Hα-helixtrans-58.3-39.4172.5-24.935.7000112.5L265 A266P262-L265 PolarHBondContact O-N 2.94Å; P262-A266 WeakPolarHBondContact O-CB 3.43Å; P262-A266 PolarHBondContact O-N 3.46Å
263E85.3Confident82.6Confident106 Ų10658.5 Ų58.550%0.49530%0.3SS..Hα-helixtrans-65.7-44.8175.2-64.869.6-155.800110.4G260 F261 L265 A266 H267G260-E263 WeakPolarHBondContact CA-OE2 3.42Å; G260-E263 WeakPolarHBondContact O-CB 3.33Å; G260-E263 PolarHBondContact O-N 3Å; F261-E263 VanDerWaalsContact C-N 3.26Å; F261-E263 PolarHBondContact O-N 3.31Å; E263-L265 PolarHBondContact O-N 2.89Å; E263-A266 PolarHBondContact O-N 2.89Å; E263-H267 PolarHBondContact O-N 2.96Å; E263-H267 VanDerWaalsContact O-N 3.16Å; E263-H267 PolarHBondContact O-ND1 3.09Å
264F86.9Confident82.6Confident37 Ų3761 Ų6116%0.16232%0.322CS..Hα-helixtrans-54.8-51.4174.3174-96.7000111.6Q8 V11 F12 G260 F261 A266 H267 L268Q8-F264 HydrophobicContact CB-CE1 4.36Å; V11-F264 HydrophobicContact CG1-CZ 4.19Å; F12-F264 HydrophobicContact CB-CD1 3.95Å; F12-F264 HydrophobicContact CB-CE1 4.01Å; F12-F264 HydrophobicContact CB-CG 4.29Å; F12-F264 HydrophobicContact CB-CZ 4.39Å; F12-F264 HydrophobicContact CD2-CB 3.59Å; F12-F264 HydrophobicContact CD2-CD1 4.02Å; F12-F264 AromaticContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CE2 4.41Å; F12-F264 AromaticContact CD2-CG 3.51Å; F12-F264 HydrophobicContact CD2-CG 3.51Å; F12-F264 HydrophobicContact CE2-CB 3.91Å; F12-F264 HydrophobicContact CE2-CG 4.3Å; F12-F264 HydrophobicContact CG-CD1 4.35Å; F12-F264 HydrophobicContact CG-CG 4.28Å; G260-F264 PolarHBondContact O-N 3.37Å; F261-F264 HydrophobicContact CD2-CB 4.42Å; F261-F264 AromaticContact CD2-CD1 3.94Å; F261-F264 HydrophobicContact CD2-CD1 3.94Å; F261-F264 AromaticContact CE2-CD1 3.88Å; F261-F264 HydrophobicContact CE2-CD1 3.88Å; F261-F264 HydrophobicContact CE2-CE1 4.4Å; F261-F264 WeakPolarHBondContact O-CB 3.41Å; F261-F264 PolarHBondContact O-N 2.89Å; F264-A266 VanDerWaalsContact C-N 3.29Å; F264-A266 PolarHBondContact O-N 3.39Å; F264-H267 PolarHBondContact O-N 2.9Å; F264-H267 VanDerWaalsContact O-N 3.11Å; F264-L268 HydrophobicContact CE1-CD2 4.13Å; F264-L268 HydrophobicContact CZ-CD2 4.2Å; F264-L268 PolarHBondContact O-N 3.05Å
265L84.3Confident82.9Confident19 Ų1966.1 Ų66.110%0.09935%0.347CS..Hα-helixtrans-59.3-40.2177-71.5-178.4000112.3Q8 F261 P262 E263 H267 L268 L311 I324Q8-L265 HydrophobicContact CB-CD2 3.65Å; Q8-L265 HydrophobicContact CG-CD2 4.25Å; F261-L265 HydrophobicContact CD1-CD1 4.24Å; F261-L265 HydrophobicContact CD2-CG 4.32Å; F261-L265 HydrophobicContact CE1-CD1 3.62Å; F261-L265 HydrophobicContact CE1-CG 4.07Å; F261-L265 HydrophobicContact CE2-CD1 4.27Å; F261-L265 HydrophobicContact CE2-CD2 3.85Å; F261-L265 HydrophobicContact CE2-CG 3.79Å; F261-L265 HydrophobicContact CZ-CD1 3.64Å; F261-L265 HydrophobicContact CZ-CD2 3.73Å; F261-L265 HydrophobicContact CZ-CG 3.67Å; F261-L265 PolarHBondContact O-N 2.97Å; P262-L265 PolarHBondContact O-N 2.94Å; E263-L265 PolarHBondContact O-N 2.89Å; L265-H267 PolarHBondContact O-N 2.54Å; L265-L268 HydrophobicContact CD2-CD1 3.65Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 PolarHBondContact O-N 2.72Å; L265-L311 WeakPolarHBondContact O-CD1 3.44Å; L265-I324 HydrophobicContact CD1-CG2 3.82Å
266A83.6Confident83.6Confident18 Ų1866.1 Ų66.115%0.14935%0.345CS..Hα-helixtrans-66.3-21.9-179.900000113.7P262 E263 F264 K312P262-A266 WeakPolarHBondContact O-CB 3.43Å; P262-A266 PolarHBondContact O-N 3.46Å; E263-A266 PolarHBondContact O-N 2.89Å; F264-A266 VanDerWaalsContact C-N 3.29Å; F264-A266 PolarHBondContact O-N 3.39Å; A266-K312 HydrophobicContact CB-CG 3.89Å
267H86.4Confident84Confident107 Ų10773 Ų7350%0.49538%0.378SS..Hα-helixtrans-94.5-6.5178-68.894.7000113.7E263 F264 L265 R269 Q272E263-H267 PolarHBondContact O-N 2.96Å; E263-H267 VanDerWaalsContact O-N 3.16Å; E263-H267 PolarHBondContact O-ND1 3.09Å; F264-H267 PolarHBondContact O-N 2.9Å; F264-H267 VanDerWaalsContact O-N 3.11Å; L265-H267 PolarHBondContact O-N 2.54Å; H267-R269 PolarHBondContact O-N 3.26Å; H267-Q272 PolarHBondContact O-OE1 3.46Å
268L85.3Confident84.4Confident12 Ų1266.6 Ų66.66%0.06336%0.355CS..  trans-57.6133.3177.6-70.2175.6000111.5Q8 F264 L265 W283 L311Q8-L268 HydrophobicContact CG-CD1 3.92Å; F264-L268 HydrophobicContact CE1-CD2 4.13Å; F264-L268 HydrophobicContact CZ-CD2 4.2Å; F264-L268 PolarHBondContact O-N 3.05Å; L265-L268 HydrophobicContact CD2-CD1 3.65Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 PolarHBondContact O-N 2.72Å; L268-W283 VanDerWaalsContact O-CH2 3.26Å; L268-W283 WeakPolarHBondContact O-CH2 3.44Å; L268-L311 HydrophobicContact CB-CD1 4.07Å
269R86.4Confident84.6Confident60 Ų6066.4 Ų66.423%0.22635%0.354CS..  trans-135.9135.4175.5-62.5-64.4-179.1-178.6-0.7110.8H267 S271 Q272 T273 G307 N308 E309H267-R269 PolarHBondContact O-N 3.26Å; R269-S271 PolarHBondContact O-N 3.46Å; R269-S271 VanDerWaalsContact O-N 3.09Å; R269-Q272 HydrophobicContact CB-CB 4.19Å; R269-Q272 HydrophobicContact CB-CG 3.87Å; R269-Q272 HydrophobicContact CG-CG 4.38Å; R269-Q272 PolarHBondContact O-N 3.12Å; R269-T273 PolarHBondContact O-OG1 3.27Å; R269-G307 PolarHBondContact NH1-O 2.99Å; R269-N308 VanDerWaalsContact NH1-CA 3.33Å; R269-N308 PolarHBondContact NH1-O 2.87Å; R269-E309 PolarHBondContact NH1-O 3.09Å
270P87.2Confident84.8Confident14 Ų1466.5 Ų66.59%0.09135%0.35CS..THydrogen-bonded Turntrans-55.3-26.8173.1-25.634.2000114.1I279 W283 W291P270-I279 HydrophobicContact CB-CG2 4.25Å; P270-I279 HydrophobicContact CG-CD1 4.47Å; P270-I279 HydrophobicContact CG-CG1 4.26Å; P270-W283 HydrophobicContact CG-CD2 3.56Å; P270-W283 HydrophobicContact CG-CE3 3.72Å; P270-W283 HydrophobicContact CG-CG 3.93Å; P270-W283 HydrophobicContact CG-CZ2 4.35Å; P270-W283 HydrophobicContact CG-CZ3 4.19Å; P270-W291 HydrophobicContact CB-CH2 4.3Å; P270-W291 HydrophobicContact CB-CZ2 4.19Å; P270-W291 HydrophobicContact CG-CH2 4.16Å; P270-W291 HydrophobicContact CG-CZ2 3.91Å
271S85Confident84.8Confident92 Ų9272.4 Ų72.464%0.64337%0.368SS*.THydrogen-bonded Turntrans-78.8-24.417853.40000114.3R269R269-S271 PolarHBondContact O-N 3.46Å; R269-S271 VanDerWaalsContact O-N 3.09Å
272Q83.8Confident84.8Confident131 Ų13173 Ų7361%0.61237%0.371SS*.THydrogen-bonded Turntrans-83.5-26.9-178.5-72.6172.8-13.400112.3H267 R269 P274H267-Q272 PolarHBondContact O-OE1 3.46Å; R269-Q272 HydrophobicContact CB-CB 4.19Å; R269-Q272 HydrophobicContact CB-CG 3.87Å; R269-Q272 HydrophobicContact CG-CG 4.38Å; R269-Q272 PolarHBondContact O-N 3.12Å; Q272-P274 VanDerWaalsContact C-CD 3.45Å; Q272-P274 WeakPolarHBondContact O-CD 3.19Å
273T78.9Confident85Confident52 Ų5269.4 Ų69.432%0.31935%0.347SS..  trans-12765.6-177.643.80000110.3R269 E275 D276 I279R269-T273 PolarHBondContact O-OG1 3.27Å; T273-E275 PolarHBondContact O-N 3.19Å; T273-D276 WeakPolarHBondContact O-CB 3.42Å; T273-D276 PolarHBondContact O-N 3.36Å; T273-I279 WeakPolarHBondContact OG1-CD1 3.11Å
274P79.4Confident85.1Confident106 Ų10666 Ų6669%0.68833%0.331SS*.THydrogen-bonded Turntrans-64.6-21.8-178.328-35.3000113Q272 D276Q272-P274 VanDerWaalsContact C-CD 3.45Å; Q272-P274 WeakPolarHBondContact O-CD 3.19Å; P274-D276 VanDerWaalsContact C-N 3.3Å
275E81.8Confident85Confident189 Ų18971 Ų7188%0.88335%0.353SS*.THydrogen-bonded Turntrans-75.5-17.2175.5-59-177.5-174.800112.9T273 M277T273-E275 PolarHBondContact O-N 3.19Å; E275-M277 PolarHBondContact O-N 3.45Å
276D85.9Confident85Confident31 Ų3171 Ų7117%0.16635%0.354CS..  trans-72.8100.7175.7-170.8-34.2000109.9Y4 Q8 T273 P274 F278 I279Y4-D276 WeakPolarHBondContact CE2-OD2 3.23Å; Y4-D276 PolarHBondContact OH-OD2 3.46Å; Q8-D276 PolarHBondContact NE2-OD2 2.99Å; T273-D276 WeakPolarHBondContact O-CB 3.42Å; T273-D276 PolarHBondContact O-N 3.36Å; P274-D276 VanDerWaalsContact C-N 3.3Å; D276-F278 PolarHBondContact O-N 3.11Å; D276-F278 WeakPolarHBondContact OD1-CA 3.45Å; D276-F278 WeakPolarHBondContact OD1-CB 3.32Å; D276-F278 PolarHBondContact OD1-N 2.98Å; D276-I279 HydrophobicContact CB-CB 4.06Å; D276-I279 HydrophobicContact CB-CG2 4.05Å; D276-I279 WeakPolarHBondContact O-CG2 3.1Å; D276-I279 PolarHBondContact OD1-N 3.45Å
277M83.3Confident85.1Confident147 Ų14771.3 Ų71.372%0.72435%0.352SS*.THydrogen-bonded Turntrans-67.5-13.9-179.570.1-176-52.600114E275E275-M277 PolarHBondContact O-N 3.45Å
278F87.1Confident85Confident55 Ų5573.2 Ų73.224%0.24137%0.366CS..THydrogen-bonded Turntrans-101-24.1-175.4-53.3-69.9000112.9Y4 I33 N35 D276 K280 K281 F282Y4-F278 HydrophobicContact CD2-CB 3.51Å; Y4-F278 HydrophobicContact CD2-CG 4.38Å; Y4-F278 HydrophobicContact CE2-CB 3.61Å; I33-F278 HydrophobicContact CG2-CE2 4.02Å; N35-F278 HydrophobicContact CB-CE1 4.14Å; N35-F278 HydrophobicContact CB-CZ 4.17Å; D276-F278 PolarHBondContact O-N 3.11Å; D276-F278 WeakPolarHBondContact OD1-CA 3.45Å; D276-F278 WeakPolarHBondContact OD1-CB 3.32Å; D276-F278 PolarHBondContact OD1-N 2.98Å; F278-K280 VanDerWaalsContact C-N 3.27Å; F278-K280 PolarHBondContact O-N 2.89Å; F278-K281 PolarHBondContact O-N 3.35Å; F278-F282 PolarHBondContact O-N 2.96Å
279I87.8Confident85.1Confident2 Ų272.9 Ų72.91%0.0136%0.364CS..Hα-helixtrans-57.1-38.6-174.2-163.4160.6000112.8Y4 P270 T273 D276 F282 W283Y4-I279 WeakPolarHBondContact OH-CA 3.36Å; Y4-I279 VanDerWaalsContact OH-CB 3.27Å; Y4-I279 WeakPolarHBondContact OH-CB 3.49Å; Y4-I279 VanDerWaalsContact OH-CG1 3.31Å; Y4-I279 WeakPolarHBondContact OH-CG1 3.36Å; P270-I279 HydrophobicContact CB-CG2 4.25Å; P270-I279 HydrophobicContact CG-CD1 4.47Å; P270-I279 HydrophobicContact CG-CG1 4.26Å; T273-I279 WeakPolarHBondContact OG1-CD1 3.11Å; D276-I279 HydrophobicContact CB-CB 4.06Å; D276-I279 HydrophobicContact CB-CG2 4.05Å; D276-I279 WeakPolarHBondContact O-CG2 3.1Å; D276-I279 PolarHBondContact OD1-N 3.45Å; I279-F282 WeakPolarHBondContact O-CB 3.41Å; I279-F282 PolarHBondContact O-N 2.78Å; I279-W283 HydrophobicContact CG1-CE3 4.27Å; I279-W283 WeakPolarHBondContact O-CB 3.45Å; I279-W283 PolarHBondContact O-N 2.8Å
280K88Confident85.1Confident110 Ų11074 Ų7448%0.47837%0.373SS..Hα-helixtrans-62.5-51-179.9-75.9-175.4-178.1175.40111.9F278 F282 W283 E284 W291F278-K280 VanDerWaalsContact C-N 3.27Å; F278-K280 PolarHBondContact O-N 2.89Å; K280-F282 VanDerWaalsContact C-N 3.31Å; K280-F282 PolarHBondContact O-N 3.01Å; K280-W283 VanDerWaalsContact O-CB 3.27Å; K280-W283 WeakPolarHBondContact O-CB 3.45Å; K280-W283 PolarHBondContact O-N 2.87Å; K280-W283 VanDerWaalsContact O-N 3.12Å; K280-E284 WeakPolarHBondContact O-CG 3.37Å; K280-E284 PolarHBondContact O-N 3.04Å; K280-W291 VanDerWaalsContact CA-NE1 3.34Å; K280-W291 PolarHBondContact O-NE1 3.29Å
281K86.4Confident85Confident151 Ų15175 Ų7566%0.65738%0.375SS*.Hα-helixtrans-64-37.3176.6-73.2-172.8175.4-1790112.1F278 W283 F285F278-K281 PolarHBondContact O-N 3.35Å; K281-W283 VanDerWaalsContact C-N 3.29Å; K281-W283 PolarHBondContact O-N 3.4Å; K281-F285 WeakPolarHBondContact O-CB 3.31Å; K281-F285 PolarHBondContact O-N 3.42Å; K281-F285 VanDerWaalsContact O-N 3.14Å
282F85.9Confident84.7Confident18 Ų1875.1 Ų75.18%0.07937%0.374CS..Hα-helixtrans-61.4-40.5173.2169.9-101.3000111.7M1 Y4 F278 I279 K280 T286 L311M1-F282 HydrophobicContact CG-CE2 4.24Å; Y4-F282 HydrophobicContact CD1-CB 3.69Å; Y4-F282 AromaticContact CD1-CD1 3.84Å; Y4-F282 HydrophobicContact CD1-CD1 3.84Å; Y4-F282 AromaticContact CD1-CD2 3.39Å; Y4-F282 HydrophobicContact CD1-CD2 3.39Å; Y4-F282 HydrophobicContact CD1-CE1 4.32Å; Y4-F282 AromaticContact CD1-CE2 3.92Å; Y4-F282 HydrophobicContact CD1-CE2 3.92Å; Y4-F282 AromaticContact CD1-CG 3.33Å; Y4-F282 HydrophobicContact CD1-CG 3.33Å; Y4-F282 HydrophobicContact CD1-CZ 4.36Å; Y4-F282 HydrophobicContact CE1-CB 3.81Å; Y4-F282 AromaticContact CE1-CD1 3.5Å; Y4-F282 HydrophobicContact CE1-CD1 3.5Å; Y4-F282 AromaticContact CE1-CD2 3.98Å; Y4-F282 HydrophobicContact CE1-CD2 3.98Å; Y4-F282 HydrophobicContact CE1-CE1 4.04Å; Y4-F282 HydrophobicContact CE1-CE2 4.45Å; Y4-F282 AromaticContact CE1-CG 3.46Å; Y4-F282 HydrophobicContact CE1-CG 3.46Å; Y4-F282 VanDerWaalsContact CE1-CG 3.46Å; Y4-F282 HydrophobicContact CE1-CZ 4.48Å; Y4-F282 HydrophobicContact CG-CB 4.19Å; Y4-F282 HydrophobicContact CG-CD2 4.23Å; Y4-F282 HydrophobicContact CG-CG 4.24Å; F278-F282 PolarHBondContact O-N 2.96Å; I279-F282 WeakPolarHBondContact O-CB 3.41Å; I279-F282 PolarHBondContact O-N 2.78Å; K280-F282 VanDerWaalsContact C-N 3.31Å; K280-F282 PolarHBondContact O-N 3.01Å; F282-T286 WeakPolarHBondContact CE2-OG1 3.49Å; F282-T286 VanDerWaalsContact O-CB 3.29Å; F282-T286 WeakPolarHBondContact O-CB 3.25Å; F282-T286 PolarHBondContact O-N 3.38Å; F282-T286 PolarHBondContact O-OG1 3.48Å; F282-L311 HydrophobicContact CE1-CD1 4.29Å; F282-L311 HydrophobicContact CE1-CD2 4.12Å; F282-L311 HydrophobicContact CZ-CD2 4.37Å
283W87.4Confident84.1Confident1 Ų174.4 Ų74.40%0.00437%0.366CS..Hα-helixtrans-64-50.2178.2-141.1-100.5000111.8L268 P270 I279 K280 K281 F285 T286 F287 W291 E309 L311L268-W283 VanDerWaalsContact O-CH2 3.26Å; L268-W283 WeakPolarHBondContact O-CH2 3.44Å; P270-W283 HydrophobicContact CG-CD2 3.56Å; P270-W283 HydrophobicContact CG-CE3 3.72Å; P270-W283 HydrophobicContact CG-CG 3.93Å; P270-W283 HydrophobicContact CG-CZ2 4.35Å; P270-W283 HydrophobicContact CG-CZ3 4.19Å; I279-W283 HydrophobicContact CG1-CE3 4.27Å; I279-W283 WeakPolarHBondContact O-CB 3.45Å; I279-W283 PolarHBondContact O-N 2.8Å; K280-W283 VanDerWaalsContact O-CB 3.27Å; K280-W283 WeakPolarHBondContact O-CB 3.45Å; K280-W283 PolarHBondContact O-N 2.87Å; K280-W283 VanDerWaalsContact O-N 3.12Å; K281-W283 VanDerWaalsContact C-N 3.29Å; K281-W283 PolarHBondContact O-N 3.4Å; W283-F285 VanDerWaalsContact C-N 3.31Å; W283-F285 PolarHBondContact O-N 3.08Å; W283-T286 PolarHBondContact O-N 3.48Å; W283-T286 VanDerWaalsContact O-N 3.12Å; W283-F287 AromaticContact CD1-CD2 3.6Å; W283-F287 AromaticContact CD2-CD2 3.98Å; W283-F287 HydrophobicContact CD2-CD2 3.98Å; W283-F287 AromaticContact CD2-CE2 3.7Å; W283-F287 HydrophobicContact CD2-CE2 3.7Å; W283-F287 AromaticContact CE2-CD2 3.78Å; W283-F287 AromaticContact CE2-CE2 3.36Å; W283-F287 HydrophobicContact CE3-CE2 4.23Å; W283-F287 AromaticContact CG-CD2 3.89Å; W283-F287 HydrophobicContact CG-CD2 3.89Å; W283-F287 HydrophobicContact CG-CE2 4.12Å; W283-F287 HydrophobicContact CH2-CE2 4.14Å; W283-F287 HydrophobicContact CZ2-CD2 4.44Å; W283-F287 AromaticContact CZ2-CE2 3.61Å; W283-F287 HydrophobicContact CZ2-CE2 3.61Å; W283-F287 HydrophobicContact CZ2-CZ 4.22Å; W283-F287 HydrophobicContact CZ3-CE2 4.43Å; W283-F287 AromaticContact NE1-CD2 3.53Å; W283-F287 AromaticContact NE1-CE2 3.59Å; W283-F287 WeakPolarHBondContact O-CD2 3.05Å; W283-F287 PolarHBondContact O-N 3.16Å; W283-W291 HydrophobicContact CB-CZ2 3.95Å; W283-W291 AromaticContact CD1-CZ2 3.7Å; W283-W291 AromaticContact CG-CZ2 3.91Å; W283-W291 HydrophobicContact CG-CZ2 3.91Å; W283-E309 HydrophobicContact CZ2-CB 4.38Å; W283-E309 WeakPolarHBondContact CZ2-O 3.32Å; W283-E309 PolarHBondContact NE1-OE2 3.05Å; W283-L311 HydrophobicContact CH2-CD1 3.84Å; W283-L311 HydrophobicContact CH2-CG 3.93Å; W283-L311 HydrophobicContact CZ3-CD1 3.62Å; W283-L311 HydrophobicContact CZ3-CD2 4.49Å; W283-L311 HydrophobicContact CZ3-CG 4.07Å
284E87.5Confident83Confident35 Ų3581.1 Ų81.116%0.16439%0.394CS..Hα-helixtrans-53.5-49.3177.2-69.9175.9145.400111.2K280 T286 D288 C289 W291 Y293K280-E284 WeakPolarHBondContact O-CG 3.37Å; K280-E284 PolarHBondContact O-N 3.04Å; E284-T286 PolarHBondContact O-N 3.44Å; E284-D288 VanDerWaalsContact O-CA 3.3Å; E284-D288 WeakPolarHBondContact O-CA 3.49Å; E284-D288 PolarHBondContact O-N 3.02Å; E284-C289 CarbonylContact C-O 3.53Å; E284-C289 WeakPolarHBondContact CA-O 3.45Å; E284-C289 WeakPolarHBondContact CB-O 3.08Å; E284-C289 VanDerWaalsContact CG-O 3.3Å; E284-C289 WeakPolarHBondContact CG-O 3.4Å; E284-C289 PolarHBondContact O-N 3.44Å; E284-C289 VanDerWaalsContact O-N 3.13Å; E284-W291 HydrophobicContact CG-CG 4.28Å; E284-W291 PolarHBondContact OE1-N 3.3Å; E284-Y293 VanDerWaalsContact OE1-CE2 3.24Å; E284-Y293 WeakPolarHBondContact OE1-CE2 3.07Å
285F83.9Confident81.8Confident140 Ų14084 Ų8461%0.61440%0.404SS*.Hα-helixtrans-67-34.9179.5-172.7-97.5000113.5M1 K281 W283M1-F285 HydrophobicContact CB-CD1 3.98Å; M1-F285 HydrophobicContact CB-CE1 3.75Å; M1-F285 HydrophobicContact CE-CD1 3.32Å; M1-F285 HydrophobicContact CE-CE1 3.31Å; M1-F285 HydrophobicContact CG-CD1 4.11Å; M1-F285 HydrophobicContact CG-CE1 4.06Å; M1-F285 HydrophobicContact SD-CD1 4.16Å; M1-F285 HydrophobicContact SD-CE1 3.76Å; K281-F285 WeakPolarHBondContact O-CB 3.31Å; K281-F285 PolarHBondContact O-N 3.42Å; K281-F285 VanDerWaalsContact O-N 3.14Å; W283-F285 VanDerWaalsContact C-N 3.31Å; W283-F285 PolarHBondContact O-N 3.08Å
286T83.1Confident80.7Confident21 Ų2179.2 Ų79.213%0.12938%0.383CS..Hα-helixtrans-79.4-32.7-175.6-59.70000112.6F282 W283 E284 L311F282-T286 WeakPolarHBondContact CE2-OG1 3.49Å; F282-T286 VanDerWaalsContact O-CB 3.29Å; F282-T286 WeakPolarHBondContact O-CB 3.25Å; F282-T286 PolarHBondContact O-N 3.38Å; F282-T286 PolarHBondContact O-OG1 3.48Å; W283-T286 PolarHBondContact O-N 3.48Å; W283-T286 VanDerWaalsContact O-N 3.12Å; E284-T286 PolarHBondContact O-N 3.44Å; T286-L311 HydrophobicContact CG2-CD2 3.83Å
287F85.9Confident79.4Confident23 Ų2383.7 Ų83.710%0.10141%0.412CS..Hα-helixtrans-1072.6-176.7-64.8-69.6000113.7W283 C289 E309 S310 L311W283-F287 AromaticContact CD1-CD2 3.6Å; W283-F287 AromaticContact CD2-CD2 3.98Å; W283-F287 HydrophobicContact CD2-CD2 3.98Å; W283-F287 AromaticContact CD2-CE2 3.7Å; W283-F287 HydrophobicContact CD2-CE2 3.7Å; W283-F287 AromaticContact CE2-CD2 3.78Å; W283-F287 AromaticContact CE2-CE2 3.36Å; W283-F287 HydrophobicContact CE3-CE2 4.23Å; W283-F287 AromaticContact CG-CD2 3.89Å; W283-F287 HydrophobicContact CG-CD2 3.89Å; W283-F287 HydrophobicContact CG-CE2 4.12Å; W283-F287 HydrophobicContact CH2-CE2 4.14Å; W283-F287 HydrophobicContact CZ2-CD2 4.44Å; W283-F287 AromaticContact CZ2-CE2 3.61Å; W283-F287 HydrophobicContact CZ2-CE2 3.61Å; W283-F287 HydrophobicContact CZ2-CZ 4.22Å; W283-F287 HydrophobicContact CZ3-CE2 4.43Å; W283-F287 AromaticContact NE1-CD2 3.53Å; W283-F287 AromaticContact NE1-CE2 3.59Å; W283-F287 WeakPolarHBondContact O-CD2 3.05Å; W283-F287 PolarHBondContact O-N 3.16Å; F287-C289 HydrophobicContact CB-CB 4.5Å; F287-C289 PolarHBondContact O-N 3.46Å; F287-E309 HydrophobicContact CB-CG 4.3Å; F287-E309 HydrophobicContact CD1-CB 3.48Å; F287-E309 VanDerWaalsContact CD1-CB 3.48Å; F287-E309 HydrophobicContact CD1-CG 3.87Å; F287-E309 HydrophobicContact CD2-CB 3.79Å; F287-E309 HydrophobicContact CD2-CG 4.19Å; F287-E309 HydrophobicContact CE1-CB 3.33Å; F287-E309 HydrophobicContact CE1-CG 4.24Å; F287-E309 HydrophobicContact CE2-CB 3.65Å; F287-E309 HydrophobicContact CG-CB 3.71Å; F287-E309 HydrophobicContact CG-CG 3.84Å; F287-E309 HydrophobicContact CZ-CB 3.4Å; F287-E309 VanDerWaalsContact CZ-CB 3.4Å; F287-S310 WeakPolarHBondContact CE1-O 3.07Å; F287-L311 HydrophobicContact CE2-CD2 3.85Å; F287-L311 HydrophobicContact CE2-CG 4.39Å; F287-L311 HydrophobicContact CZ-CD2 3.66Å; F287-L311 HydrophobicContact CZ-CG 4.07Å
288D85.3Confident78.1Confident147 Ų14782.3 Ų82.379%0.78641%0.411SS*.THydrogen-bonded Turntrans50.648.1-176.9-159.929.2000111.3E284E284-D288 VanDerWaalsContact O-CA 3.3Å; E284-D288 WeakPolarHBondContact O-CA 3.49Å; E284-D288 PolarHBondContact O-N 3.02Å
289C87.6Confident76.6Confident5 Ų584.1 Ų84.13%0.03443%0.427CS..  trans-129.6164.9-177650000110.3E284 F287 Q303 C305E284-C289 CarbonylContact C-O 3.53Å; E284-C289 WeakPolarHBondContact CA-O 3.45Å; E284-C289 WeakPolarHBondContact CB-O 3.08Å; E284-C289 VanDerWaalsContact CG-O 3.3Å; E284-C289 WeakPolarHBondContact CG-O 3.4Å; E284-C289 PolarHBondContact O-N 3.44Å; E284-C289 VanDerWaalsContact O-N 3.13Å; F287-C289 HydrophobicContact CB-CB 4.5Å; F287-C289 PolarHBondContact O-N 3.46Å; C289-Q303 CarbonylContact C-O 3.52Å; C289-Q303 WeakPolarHBondContact CA-O 3.12Å; C289-Q303 HydrophobicContact CB-CG 4.38Å; C289-Q303 WeakPolarHBondContact CB-O 3.44Å; C289-C305 HydrophobicContact CB-CB 4.04Å; C289-C305 WeakPolarHBondContact CB-SG 3.27Å; C289-C305 PolarHBondContact O-SG 3.32Å; C289-C305 WeakPolarHBondContact SG-CA 3.25Å; C289-C305 WeakPolarHBondContact SG-CB 3.31Å; C289-C305 CovalentContact SG-SG 2.03Å; C289-C305 PolarHBondContact SG-SG 3.48Å
290M85.8Confident75.1Confident83 Ų8393.5 Ų93.541%0.40947%0.471SS..BIsolated β-bridgetrans-120143.1174.6-66-161.6-69.300111.4V302 Q303 F304 C305M290-V302 HydrophobicContact CB-CG1 4.35Å; M290-V302 HydrophobicContact CE-CB 4.14Å; M290-V302 HydrophobicContact CE-CG1 3.29Å; M290-V302 HydrophobicContact CE-CG2 3.68Å; M290-Q303 PolarHBondContact N-O 3.04Å; M290-F304 VanDerWaalsContact O-CA 3.3Å; M290-F304 WeakPolarHBondContact O-CA 3.28Å; M290-F304 WeakPolarHBondContact O-CD1 3.13Å; M290-C305 PolarHBondContact O-N 3.34Å
291W85.6Confident74Confident37 Ų3792.3 Ų92.314%0.1449%0.489CS..  trans-74.1145.4166.4-65.8107.8000109.9P270 K280 W283 E284 Y293 C305P270-W291 HydrophobicContact CB-CH2 4.3Å; P270-W291 HydrophobicContact CB-CZ2 4.19Å; P270-W291 HydrophobicContact CG-CH2 4.16Å; P270-W291 HydrophobicContact CG-CZ2 3.91Å; K280-W291 VanDerWaalsContact CA-NE1 3.34Å; K280-W291 PolarHBondContact O-NE1 3.29Å; W283-W291 HydrophobicContact CB-CZ2 3.95Å; W283-W291 AromaticContact CD1-CZ2 3.7Å; W283-W291 AromaticContact CG-CZ2 3.91Å; W283-W291 HydrophobicContact CG-CZ2 3.91Å; E284-W291 HydrophobicContact CG-CG 4.28Å; E284-W291 PolarHBondContact OE1-N 3.3Å; W291-Y293 VanDerWaalsContact C-N 3.29Å; W291-Y293 HydrophobicContact CB-CD2 4.37Å; W291-Y293 HydrophobicContact CB-CE2 3.89Å; W291-Y293 VanDerWaalsContact O-CD2 3.32Å; W291-Y293 WeakPolarHBondContact O-CD2 3.5Å; W291-Y293 PolarHBondContact O-N 3.06Å; W291-C305 HydrophobicContact CD2-CB 3.68Å; W291-C305 HydrophobicContact CE3-CB 3.67Å; W291-C305 HydrophobicContact CG-CB 4.39Å; W291-C305 HydrophobicContact CH2-CB 3.81Å; W291-C305 HydrophobicContact CZ2-CB 3.78Å; W291-C305 HydrophobicContact CZ3-CB 3.74Å; W291-C305 WeakPolarHBondContact CZ3-O 3.24Å
292P77.4Confident73.3Confident94 Ų9487.4 Ų87.461%0.6147%0.472SS*.  trans-71.986.9174.728.5-31.9000109.5F304P292-F304 HydrophobicContact CB-CD1 4.19Å; P292-F304 HydrophobicContact CB-CE1 4.1Å
293Y72.1Confident73.2Confident115 Ų11592.6 Ų92.645%0.45150%0.497SS..  trans-75.3141.2166.8-62.2-77.1000109.1E284 W291 N295E284-Y293 VanDerWaalsContact OE1-CE2 3.24Å; E284-Y293 WeakPolarHBondContact OE1-CE2 3.07Å; W291-Y293 VanDerWaalsContact C-N 3.29Å; W291-Y293 HydrophobicContact CB-CD2 4.37Å; W291-Y293 HydrophobicContact CB-CE2 3.89Å; W291-Y293 VanDerWaalsContact O-CD2 3.32Å; W291-Y293 WeakPolarHBondContact O-CD2 3.5Å; W291-Y293 PolarHBondContact O-N 3.06Å; Y293-N295 PolarHBondContact O-N 3.22Å
294Q54.9Low73.2Confident193 Ų19397.1 Ų97.190%0.90252%0.517SS*.THydrogen-bonded Turntrans-53.4131.4-171.9-71.5177.6-19.700111.9
295N56.2Low73.2Confident168 Ų16896 Ų9690%0.89851%0.512SS*.THydrogen-bonded Turntrans68.646.9176.8-62.7-16.9000117.7Y293Y293-N295 PolarHBondContact O-N 3.22Å
296I57.9Low73.3Confident87 Ų8794 Ų9445%0.44651%0.512SS..  trans-94.4112.3160.9-57.7171.3000108.7V298I296-V298 PolarHBondContact O-N 3.4Å
297T57.5Low73.3Confident126 Ų12693.4 Ų93.477%0.77351%0.509SS*.  trans-63.5120166.2440000108.6T299T297-T299 PolarHBondContact O-N 3.02Å
298V56.1Low73.2Confident118 Ų11898 Ų9872%0.71554%0.535SS*.  trans-55.7106.5-176.7-178.10000110.1I296I296-V298 PolarHBondContact O-N 3.4Å
299T56.7Low73.3Confident93 Ų9392.4 Ų92.457%0.57150%0.504SS*.  trans-83.9132.3159.1420000108.4T297 G301T297-T299 PolarHBondContact O-N 3.02Å; T299-G301 PolarHBondContact O-N 3.41Å
300E56.5Low73.1Confident199 Ų19994.9 Ų94.993%0.9352%0.521SS*.THydrogen-bonded Turntrans-53.4126.9176.2-69.1-178.2155.500110.6
301G65.4Low72.8Confident84 Ų8492 Ų9287%0.86651%0.507SS*.THydrogen-bonded Turntrans113.7-1.217600000117T299T299-G301 PolarHBondContact O-N 3.41Å
302V71.3Confident72.2Confident48 Ų4895.9 Ų95.929%0.29153%0.525SS..PPolyproline II helixtrans-87.6121.3178.31740000111.9M290 F304M290-V302 HydrophobicContact CB-CG1 4.35Å; M290-V302 HydrophobicContact CE-CB 4.14Å; M290-V302 HydrophobicContact CE-CG1 3.29Å; M290-V302 HydrophobicContact CE-CG2 3.68Å; V302-F304 HydrophobicContact CG1-CE1 4.49Å
303Q84Confident71.6Confident127 Ų12799.3 Ų99.359%0.59354%0.539SS*.PPolyproline II helixtrans-87126.1171.2-176.3171.7-18.500110.7C289 M290C289-Q303 CarbonylContact C-O 3.52Å; C289-Q303 WeakPolarHBondContact CA-O 3.12Å; C289-Q303 HydrophobicContact CB-CG 4.38Å; C289-Q303 WeakPolarHBondContact CB-O 3.44Å; M290-Q303 PolarHBondContact N-O 3.04Å
304F86.6Confident71.3Confident97 Ų9798.1 Ų98.143%0.42554%0.536SS..BIsolated β-bridgetrans-85.7143.1176.4-70.2-71.7000112.2M290 P292 V302M290-F304 VanDerWaalsContact O-CA 3.3Å; M290-F304 WeakPolarHBondContact O-CA 3.28Å; M290-F304 WeakPolarHBondContact O-CD1 3.13Å; P292-F304 HydrophobicContact CB-CD1 4.19Å; P292-F304 HydrophobicContact CB-CE1 4.1Å; V302-F304 HydrophobicContact CG1-CE1 4.49Å
305C87.6Confident71.3Confident10 Ų1094.5 Ų94.57%0.06853%0.529CS..PPolyproline II helixtrans-74.2134.7171.1-56.30000110.7C289 M290 W291C289-C305 HydrophobicContact CB-CB 4.04Å; C289-C305 WeakPolarHBondContact CB-SG 3.27Å; C289-C305 PolarHBondContact O-SG 3.32Å; C289-C305 WeakPolarHBondContact SG-CA 3.25Å; C289-C305 WeakPolarHBondContact SG-CB 3.31Å; C289-C305 CovalentContact SG-SG 2.03Å; C289-C305 PolarHBondContact SG-SG 3.48Å; M290-C305 PolarHBondContact O-N 3.34Å; W291-C305 HydrophobicContact CD2-CB 3.68Å; W291-C305 HydrophobicContact CE3-CB 3.67Å; W291-C305 HydrophobicContact CG-CB 4.39Å; W291-C305 HydrophobicContact CH2-CB 3.81Å; W291-C305 HydrophobicContact CZ2-CB 3.78Å; W291-C305 HydrophobicContact CZ3-CB 3.74Å; W291-C305 WeakPolarHBondContact CZ3-O 3.24Å
306T85.8Confident71.2Confident100 Ų10089.5 Ų89.561%0.61350%0.5SS*.  trans-97.4-24.417764.30000112.8N308 E309T306-N308 PolarHBondContact O-N 2.86Å; T306-N308 PolarHBondContact OG1-N 3.09Å; T306-E309 WeakPolarHBondContact CB-OE1 3.31Å; T306-E309 PolarHBondContact N-OE1 2.87Å; T306-E309 PolarHBondContact OG1-OE1 3.14Å; T306-E309 PolarHBondContact OG1-OE2 3Å
307G83.8Confident70.5Confident7 Ų790.1 Ų90.17%0.07251%0.51CS..SBendtrans82.9-8.7-172.900000114.3R269 E309R269-G307 PolarHBondContact NH1-O 2.99Å; G307-E309 VanDerWaalsContact CA-OE2 3.31Å; G307-E309 WeakPolarHBondContact CA-OE2 3.23Å; G307-E309 PolarHBondContact N-OE2 3.06Å
308N84.5Confident70.1Confident120 Ų12086.8 Ų86.864%0.64249%0.485SS*.  trans-101.40.6179.8-78.3-9.4000113.2R269 T306R269-N308 VanDerWaalsContact NH1-CA 3.33Å; R269-N308 PolarHBondContact NH1-O 2.87Å; T306-N308 PolarHBondContact O-N 2.86Å; T306-N308 PolarHBondContact OG1-N 3.09Å
309E86.2Confident69.9Low30 Ų3085.7 Ų85.714%0.1448%0.48CS..  trans-56.4143.4175-61.279.6-175.100111.3R269 W283 F287 T306 G307R269-E309 PolarHBondContact NH1-O 3.09Å; W283-E309 HydrophobicContact CZ2-CB 4.38Å; W283-E309 WeakPolarHBondContact CZ2-O 3.32Å; W283-E309 PolarHBondContact NE1-OE2 3.05Å; F287-E309 HydrophobicContact CB-CG 4.3Å; F287-E309 HydrophobicContact CD1-CB 3.48Å; F287-E309 VanDerWaalsContact CD1-CB 3.48Å; F287-E309 HydrophobicContact CD1-CG 3.87Å; F287-E309 HydrophobicContact CD2-CB 3.79Å; F287-E309 HydrophobicContact CD2-CG 4.19Å; F287-E309 HydrophobicContact CE1-CB 3.33Å; F287-E309 HydrophobicContact CE1-CG 4.24Å; F287-E309 HydrophobicContact CE2-CB 3.65Å; F287-E309 HydrophobicContact CG-CB 3.71Å; F287-E309 HydrophobicContact CG-CG 3.84Å; F287-E309 HydrophobicContact CZ-CB 3.4Å; F287-E309 VanDerWaalsContact CZ-CB 3.4Å; T306-E309 WeakPolarHBondContact CB-OE1 3.31Å; T306-E309 PolarHBondContact N-OE1 2.87Å; T306-E309 PolarHBondContact OG1-OE1 3.14Å; T306-E309 PolarHBondContact OG1-OE2 3Å; G307-E309 VanDerWaalsContact CA-OE2 3.31Å; G307-E309 WeakPolarHBondContact CA-OE2 3.23Å; G307-E309 PolarHBondContact N-OE2 3.06Å
310S83.9Confident69.4Low56 Ų5687.6 Ų87.639%0.39248%0.482SS..  trans-89.9124.8-175.2-179.50000111.5F287 K312F287-S310 WeakPolarHBondContact CE1-O 3.07Å; S310-K312 VanDerWaalsContact C-N 3.26Å; S310-K312 VanDerWaalsContact OG-CB 3.3Å; S310-K312 WeakPolarHBondContact OG-CB 3.45Å; S310-K312 PolarHBondContact OG-N 3.36Å; S310-K312 VanDerWaalsContact OG-N 3.1Å
311L79.9Confident69.1Low22 Ų2278.8 Ų78.812%0.11544%0.442CS..  trans-76.3-14166.9-69.6173000112.4L265 L268 F282 W283 T286 F287 N313L265-L311 WeakPolarHBondContact O-CD1 3.44Å; L268-L311 HydrophobicContact CB-CD1 4.07Å; F282-L311 HydrophobicContact CE1-CD1 4.29Å; F282-L311 HydrophobicContact CE1-CD2 4.12Å; F282-L311 HydrophobicContact CZ-CD2 4.37Å; W283-L311 HydrophobicContact CH2-CD1 3.84Å; W283-L311 HydrophobicContact CH2-CG 3.93Å; W283-L311 HydrophobicContact CZ3-CD1 3.62Å; W283-L311 HydrophobicContact CZ3-CD2 4.49Å; W283-L311 HydrophobicContact CZ3-CG 4.07Å; T286-L311 HydrophobicContact CG2-CD2 3.83Å; F287-L311 HydrophobicContact CE2-CD2 3.85Å; F287-L311 HydrophobicContact CE2-CG 4.39Å; F287-L311 HydrophobicContact CZ-CD2 3.66Å; F287-L311 HydrophobicContact CZ-CG 4.07Å; L311-N313 PolarHBondContact O-N 3.45Å
312K73.1Confident68.4Low119 Ų11976.6 Ų76.652%0.51741%0.414SS..THydrogen-bonded Turntrans-62.1132.8176.3-62.5179.3177.4-175.60110.5A266 S310 K314A266-K312 HydrophobicContact CB-CG 3.89Å; S310-K312 VanDerWaalsContact C-N 3.26Å; S310-K312 VanDerWaalsContact OG-CB 3.3Å; S310-K312 WeakPolarHBondContact OG-CB 3.45Å; S310-K312 PolarHBondContact OG-N 3.36Å; S310-K312 VanDerWaalsContact OG-N 3.1Å; K312-K314 VanDerWaalsContact C-N 3.25Å; K312-K314 PolarHBondContact O-N 3.21Å
313N65Low67.7Low166 Ų16675.8 Ų75.889%0.88841%0.406SS*.THydrogen-bonded Turntrans63.315.6175.8-54.9-22.3000116.3L311 P315L311-N313 PolarHBondContact O-N 3.45Å; N313-P315 WeakPolarHBondContact O-CD 3.08Å
314K64.8Low66.6Low91 Ų9171.2 Ų71.240%0.39639%0.385SS..PPolyproline II helixtrans-68.9119.6170.5-80.7-73.6-175170.20109.2K312 H316K312-K314 VanDerWaalsContact C-N 3.25Å; K312-K314 PolarHBondContact O-N 3.21Å; K314-H316 PolarHBondContact O-CE1 3.08Å; K314-H316 VanDerWaalsContact O-CE1 3.29Å; K314-H316 PolarHBondContact O-N 2.95Å; K314-H316 VanDerWaalsContact O-N 3.13Å; K314-H316 PolarHBondContact O-ND1 2.74Å; K314-H316 VanDerWaalsContact O-ND1 3.11Å
315P54.9Low65.9Low117 Ų11767.6 Ų67.676%0.7637%0.371SS*.PPolyproline II helixtrans-58.4123.3-176.422.4-31.4000109.2N313N313-P315 WeakPolarHBondContact O-CD 3.08Å
316H53.1Low65.4Low63 Ų6367.8 Ų67.829%0.29237%0.373SS..PPolyproline II helixtrans-87.6133.9168.9-62.6-14.7000107.1R5 K314 F318R5-H316 PolarHBondContact NH1-CD2 3.24Å; R5-H316 PolarHBondContact NH1-CE1 3.2Å; R5-H316 PolarHBondContact NH1-NE2 2.89Å; R5-H316 PolarHBondContact NH2-CE1 3.35Å; R5-H316 PolarHBondContact NH2-ND1 3.41Å; K314-H316 PolarHBondContact O-CE1 3.08Å; K314-H316 VanDerWaalsContact O-CE1 3.29Å; K314-H316 PolarHBondContact O-N 2.95Å; K314-H316 VanDerWaalsContact O-N 3.13Å; K314-H316 PolarHBondContact O-ND1 2.74Å; K314-H316 VanDerWaalsContact O-ND1 3.11Å; H316-F318 PolarHBondContact O-N 3.35Å
317P44.2Very low65.6Low99 Ų9963.1 Ų63.164%0.64334%0.344SS*.SBendtrans-57.1116.1163.6-1729.2000107.4
318F49.3Very low65.9Low57 Ų5762.8 Ų62.825%0.2534%0.341CS..  trans61.467.3169.3-44-72.2000115.3A233 L236 T237 H316 E320 V321 S322A233-F318 HydrophobicContact CB-CB 4.07Å; A233-F318 HydrophobicContact CB-CD1 3.89Å; A233-F318 HydrophobicContact CB-CD2 4.18Å; A233-F318 HydrophobicContact CB-CE1 4.43Å; A233-F318 HydrophobicContact CB-CG 3.75Å; A233-F318 WeakPolarHBondContact O-CE1 3.3Å; A233-F318 WeakPolarHBondContact O-CE2 2.96Å; A233-F318 WeakPolarHBondContact O-CZ 3.25Å; L236-F318 HydrophobicContact CB-CE1 4.13Å; L236-F318 HydrophobicContact CB-CZ 4.43Å; L236-F318 HydrophobicContact CD1-CE1 4.49Å; T237-F318 HydrophobicContact CG2-CE2 3.7Å; T237-F318 HydrophobicContact CG2-CZ 3.53Å; H316-F318 PolarHBondContact O-N 3.35Å; F318-E320 PolarHBondContact O-N 3.46Å; F318-V321 HydrophobicContact CB-CB 4.25Å; F318-V321 PolarHBondContact O-N 2.05Å; F318-V321 VanDerWaalsContact O-N 3.14Å; F318-S322 VanDerWaalsContact O-CB 3.27Å; F318-S322 WeakPolarHBondContact O-CB 2.89Å; F318-S322 PolarHBondContact O-N 2.85Å
319P51Low66.2Low95 Ų9557.5 Ų57.562%0.61731%0.313SS*.THydrogen-bonded Turntrans-61.2-28-179.624.5-32.4000113.8
320E47.7Very low66.6Low133 Ų13356.1 Ų56.162%0.62131%0.306SS*.THydrogen-bonded Turntrans-75.9-20.3178.5-68.2175.8164.600113.7F318F318-E320 PolarHBondContact O-N 3.46Å
321V49.2Very low67.1Low14 Ų1453.6 Ų53.69%0.08529%0.289CS..THydrogen-bonded Turntrans-111.9-22.1-175.2179.50000112.1T229 L230 A233 F318 K323 L406T229-V321 WeakPolarHBondContact OG1-CG1 3.03Å; L230-V321 HydrophobicContact CB-CG1 4.29Å; L230-V321 HydrophobicContact CD1-CG1 4.17Å; A233-V321 HydrophobicContact CB-CB 4.1Å; A233-V321 HydrophobicContact CB-CG1 3.96Å; A233-V321 HydrophobicContact CB-CG2 4.05Å; F318-V321 HydrophobicContact CB-CB 4.25Å; F318-V321 PolarHBondContact O-N 2.05Å; F318-V321 VanDerWaalsContact O-N 3.14Å; V321-K323 PolarHBondContact O-N 2.77Å; V321-L406 HydrophobicContact CG2-CD1 3.88Å
322S51.8Low67.8Low38 Ų3853.5 Ų53.527%0.26629%0.287SS..  trans-77.9100.7178.5-176.10000110.8F318 I324F318-S322 VanDerWaalsContact O-CB 3.27Å; F318-S322 WeakPolarHBondContact O-CB 2.89Å; F318-S322 PolarHBondContact O-N 2.85Å; S322-I324 VanDerWaalsContact C-N 3.32Å; S322-I324 VanDerWaalsContact O-CG1 3.28Å; S322-I324 WeakPolarHBondContact O-CG1 3.43Å; S322-I324 PolarHBondContact O-N 2.84Å
323K55.9Low68.8Low31 Ų3147.8 Ų47.814%0.13526%0.262CS..  trans-72.187.3168.1-64.7-178.1-178.9-154.50109.2L252 Y253 S255 V321 D325L252-K323 VanDerWaalsContact CD1-CE 3.41Å; Y253-K323 HydrophobicContact CE1-CD 4.12Å; Y253-K323 VanDerWaalsContact CE1-NZ 3.28Å; Y253-K323 HydrophobicContact CE2-CD 3.88Å; Y253-K323 PolarHBondContact O-NZ 2.96Å; Y253-K323 VanDerWaalsContact OH-CD 3.22Å; Y253-K323 WeakPolarHBondContact OH-CD 3.4Å; S255-K323 WeakPolarHBondContact OG-CE 3.32Å; S255-K323 PolarHBondContact OG-NZ 2.79Å; V321-K323 PolarHBondContact O-N 2.77Å; K323-D325 PolarHBondContact O-N 2.83Å
324I60.2Low70.3Confident31 Ų3140.7 Ų40.716%0.15922%0.224CC..THydrogen-bonded Turntrans-72.2-18-177.1-36.7-173.2000110.7R5 S9 F261 L265 S322R5-I324 HydrophobicContact CB-CG2 4.14Å; S9-I324 WeakPolarHBondContact CB-O 3.35Å; F261-I324 HydrophobicContact CD1-CB 4.32Å; F261-I324 HydrophobicContact CD1-CG2 4.4Å; F261-I324 HydrophobicContact CE1-CB 3.85Å; F261-I324 HydrophobicContact CE1-CG2 3.56Å; F261-I324 WeakPolarHBondContact CE1-O 3.1Å; F261-I324 HydrophobicContact CZ-CG2 4.37Å; L265-I324 HydrophobicContact CD1-CG2 3.82Å; S322-I324 VanDerWaalsContact C-N 3.32Å; S322-I324 VanDerWaalsContact O-CG1 3.28Å; S322-I324 WeakPolarHBondContact O-CG1 3.43Å; S322-I324 PolarHBondContact O-N 2.84Å
325D71.9Confident71.7Confident21 Ų2136.4 Ų36.411%0.11221%0.205CC..THydrogen-bonded Turntrans-103.822.6-172.955.1-10000114.7S9 R257 A258 F261 K323 A327 Y328S9-D325 VanDerWaalsContact OG-CA 3.22Å; S9-D325 WeakPolarHBondContact OG-CA 3.47Å; S9-D325 PolarHBondContact OG-O 3.45Å; R257-D325 VanDerWaalsContact CA-OD2 3.25Å; R257-D325 WeakPolarHBondContact CA-OD2 3.46Å; A258-D325 HydrophobicContact CB-CB 3.6Å; A258-D325 PolarHBondContact N-OD2 3.31Å; F261-D325 HydrophobicContact CD1-CB 4.29Å; K323-D325 PolarHBondContact O-N 2.83Å; D325-A327 VanDerWaalsContact C-N 3.26Å; D325-A327 PolarHBondContact O-N 3.34Å; D325-Y328 WeakPolarHBondContact O-CB 3.46Å; D325-Y328 PolarHBondContact O-N 2.03Å
326A77.8Confident73.7Confident14 Ų1432.5 Ų32.512%0.11618%0.177CC..THydrogen-bonded Turntrans-52.5-37.6-170.800000114.6V6 Y98V6-A326 HydrophobicContact CG2-CB 4.43Å; Y98-A326 WeakPolarHBondContact CB-O 3.34Å; Y98-A326 HydrophobicContact CD2-CB 3.88Å; Y98-A326 HydrophobicContact CG-CB 4.35Å
327A88.8Confident75.6Confident1 Ų129.5 Ų29.51%0.00816%0.163CC..THydrogen-bonded Turntrans-79.4-17.3-179.100000113.9V6 F10 V73 Y98 D325 T329 A330 V331V6-A327 HydrophobicContact CG1-CB 3.8Å; F10-A327 HydrophobicContact CB-CB 3.84Å; F10-A327 HydrophobicContact CD2-CB 4.5Å; V73-A327 HydrophobicContact CG1-CB 4.44Å; Y98-A327 HydrophobicContact CD1-CB 4.24Å; D325-A327 VanDerWaalsContact C-N 3.26Å; D325-A327 PolarHBondContact O-N 3.34Å; A327-T329 PolarHBondContact O-N 2.6Å; A327-A330 WeakPolarHBondContact O-CB 3.26Å; A327-A330 PolarHBondContact O-N 3.24Å; A327-A330 VanDerWaalsContact O-N 3.12Å; A327-V331 WeakPolarHBondContact O-CG2 3.46Å; A327-V331 PolarHBondContact O-N 3.16Å; A327-V331 VanDerWaalsContact O-N 3.09Å
328Y90.7Very high77.9Confident1 Ų125.2 Ų25.20%0.00414%0.135CC..Hα-helixtrans-56.5-49.4-174-178.6-94.9000112.4S9 F12 A13 E16 A258 D325 A330 V331 Y332 P374S9-Y328 PolarHBondContact OG-N 3.31Å; F12-Y328 HydrophobicContact CD1-CD2 4.03Å; F12-Y328 HydrophobicContact CD1-CE2 4.05Å; F12-Y328 HydrophobicContact CE1-CD2 4.28Å; F12-Y328 AromaticContact CE1-CE2 3.88Å; F12-Y328 HydrophobicContact CE1-CE2 3.88Å; A13-Y328 HydrophobicContact CB-CD2 3.63Å; A13-Y328 HydrophobicContact CB-CE2 4.2Å; A13-Y328 HydrophobicContact CB-CG 4.35Å; E16-Y328 PolarHBondContact OE1-OH 2.67Å; A258-Y328 HydrophobicContact CB-CD1 4.23Å; A258-Y328 HydrophobicContact CB-CD2 3.62Å; A258-Y328 HydrophobicContact CB-CE1 4.46Å; A258-Y328 HydrophobicContact CB-CE2 3.89Å; A258-Y328 HydrophobicContact CB-CG 3.81Å; D325-Y328 WeakPolarHBondContact O-CB 3.46Å; D325-Y328 PolarHBondContact O-N 2.03Å; Y328-A330 VanDerWaalsContact C-N 3.28Å; Y328-A330 PolarHBondContact O-N 3.19Å; Y328-V331 PolarHBondContact O-N 2.79Å; Y328-Y332 HydrophobicContact CD1-CD2 4.04Å; Y328-Y332 HydrophobicContact CD1-CE2 4.45Å; Y328-Y332 HydrophobicContact CD2-CD2 4.17Å; Y328-Y332 HydrophobicContact CD2-CE2 4.11Å; Y328-Y332 AromaticContact CE1-CD2 3.68Å; Y328-Y332 HydrophobicContact CE1-CD2 3.68Å; Y328-Y332 AromaticContact CE1-CE2 3.76Å; Y328-Y332 HydrophobicContact CE1-CE2 3.76Å; Y328-Y332 HydrophobicContact CE1-CG 4.43Å; Y328-Y332 AromaticContact CE2-CD2 3.83Å; Y328-Y332 HydrophobicContact CE2-CD2 3.83Å; Y328-Y332 AromaticContact CE2-CE2 3.35Å; Y328-Y332 HydrophobicContact CE2-CE2 3.35Å; Y328-Y332 HydrophobicContact CG-CD2 4.27Å; Y328-Y332 AromaticContact CZ-CD2 3.56Å; Y328-Y332 AromaticContact CZ-CE2 3.14Å; Y328-Y332 AromaticContact CZ-CZ 3.89Å; Y328-Y332 PolarHBondContact O-N 3.3Å; Y328-Y332 WeakPolarHBondContact OH-CE2 3.17Å; Y328-Y332 PolarHBondContact OH-OH 3.18Å; Y328-P374 WeakPolarHBondContact OH-CD 3.39Å; Y328-P374 WeakPolarHBondContact OH-CG 3.03Å
329T91.4Very high80Confident9 Ų925.1 Ų25.16%0.05514%0.135CC..Hα-helixtrans-62.5-37179.7-50.90000111.7T117 S256 A327 S333 I379T117-T329 HydrophobicContact CG2-CG2 3.79Å; S256-T329 PolarHBondContact OG-OG1 3.31Å; A327-T329 PolarHBondContact O-N 2.6Å; T329-S333 WeakPolarHBondContact O-CB 3.38Å; T329-S333 PolarHBondContact O-N 3.25Å; T329-S333 PolarHBondContact O-OG 3.34Å; T329-I379 HydrophobicContact CG2-CD1 3.68Å; T329-I379 HydrophobicContact CG2-CG1 4.04Å; T329-I379 HydrophobicContact CG2-CG2 4.03Å
330A93.7Very high81.9Confident0 Ų023.5 Ų23.50%012%0.121CC..Hα-helixtrans-66.1-44.9-179.400000111.1V73 V96 T117 A327 Y328 S333 I334V73-A330 HydrophobicContact CG1-CB 3.87Å; V73-A330 HydrophobicContact CG2-CB 4.31Å; V96-A330 HydrophobicContact CB-CB 4.23Å; V96-A330 HydrophobicContact CG1-CB 3.59Å; T117-A330 HydrophobicContact CG2-CB 4.02Å; A327-A330 WeakPolarHBondContact O-CB 3.26Å; A327-A330 PolarHBondContact O-N 3.24Å; A327-A330 VanDerWaalsContact O-N 3.12Å; Y328-A330 VanDerWaalsContact C-N 3.28Å; Y328-A330 PolarHBondContact O-N 3.19Å; A330-S333 PolarHBondContact O-N 3.34Å; A330-I334 WeakPolarHBondContact O-CD1 3.34Å; A330-I334 WeakPolarHBondContact O-CG1 3.38Å; A330-I334 PolarHBondContact O-N 2.98Å; A330-I334 VanDerWaalsContact O-N 3.14Å
331V94.8Very high83.7Confident4 Ų418 Ų182%0.02410%0.095CC..Hα-helixtrans-63.5-47.3176.5178.50000111.1F10 A13 I14 I17 A327 Y328 S333 I334 A335F10-V331 HydrophobicContact CB-CG2 4.42Å; F10-V331 HydrophobicContact CD2-CG2 3.24Å; F10-V331 HydrophobicContact CE2-CG2 3.47Å; F10-V331 VanDerWaalsContact CE2-CG2 3.47Å; F10-V331 HydrophobicContact CG-CG2 3.87Å; F10-V331 HydrophobicContact CZ-CG2 4.21Å; A13-V331 HydrophobicContact CB-CB 3.77Å; A13-V331 HydrophobicContact CB-CG1 3.78Å; A13-V331 HydrophobicContact CB-CG2 4.21Å; I14-V331 HydrophobicContact CD1-CG1 3.51Å; I14-V331 HydrophobicContact CG1-CG1 3.99Å; I17-V331 HydrophobicContact CD1-CG1 3.77Å; A327-V331 WeakPolarHBondContact O-CG2 3.46Å; A327-V331 PolarHBondContact O-N 3.16Å; A327-V331 VanDerWaalsContact O-N 3.09Å; Y328-V331 PolarHBondContact O-N 2.79Å; V331-S333 VanDerWaalsContact C-N 3.31Å; V331-S333 PolarHBondContact O-N 2.93Å; V331-I334 PolarHBondContact O-N 3.31Å; V331-A335 PolarHBondContact O-N 3.44Å
332Y94.5Very high85.4Confident19 Ų1918.6 Ų18.68%0.07510%0.098CC..Hα-helixtrans-59.8-41176.8-100.1-90.2000112.5A13 E16 I17 L23 Y328 I334 A335 H336 F371A13-Y332 HydrophobicContact CB-CD2 4.38Å; A13-Y332 HydrophobicContact CB-CE2 4.48Å; E16-Y332 PolarHBondContact OE1-OH 2.65Å; I17-Y332 HydrophobicContact CD1-CD2 3.97Å; I17-Y332 HydrophobicContact CD1-CE2 3.97Å; I17-Y332 HydrophobicContact CD1-CG 4.25Å; I17-Y332 HydrophobicContact CG1-CD2 4.37Å; I17-Y332 HydrophobicContact CG1-CE1 4.16Å; I17-Y332 HydrophobicContact CG1-CE2 3.88Å; L23-Y332 HydrophobicContact CD2-CD1 4.18Å; L23-Y332 HydrophobicContact CD2-CE1 3.99Å; Y328-Y332 HydrophobicContact CD1-CD2 4.04Å; Y328-Y332 HydrophobicContact CD1-CE2 4.45Å; Y328-Y332 HydrophobicContact CD2-CD2 4.17Å; Y328-Y332 HydrophobicContact CD2-CE2 4.11Å; Y328-Y332 AromaticContact CE1-CD2 3.68Å; Y328-Y332 HydrophobicContact CE1-CD2 3.68Å; Y328-Y332 AromaticContact CE1-CE2 3.76Å; Y328-Y332 HydrophobicContact CE1-CE2 3.76Å; Y328-Y332 HydrophobicContact CE1-CG 4.43Å; Y328-Y332 AromaticContact CE2-CD2 3.83Å; Y328-Y332 HydrophobicContact CE2-CD2 3.83Å; Y328-Y332 AromaticContact CE2-CE2 3.35Å; Y328-Y332 HydrophobicContact CE2-CE2 3.35Å; Y328-Y332 HydrophobicContact CG-CD2 4.27Å; Y328-Y332 AromaticContact CZ-CD2 3.56Å; Y328-Y332 AromaticContact CZ-CE2 3.14Å; Y328-Y332 AromaticContact CZ-CZ 3.89Å; Y328-Y332 PolarHBondContact O-N 3.3Å; Y328-Y332 WeakPolarHBondContact OH-CE2 3.17Å; Y328-Y332 PolarHBondContact OH-OH 3.18Å; Y332-I334 VanDerWaalsContact C-N 3.31Å; Y332-I334 PolarHBondContact O-N 3.45Å; Y332-A335 PolarHBondContact O-N 2.9Å; Y332-H336 AromaticContact CD1-CD2 4Å; Y332-H336 AromaticContact CD1-NE2 3.93Å; Y332-H336 WeakPolarHBondContact O-CB 3.24Å; Y332-H336 PolarHBondContact O-CD2 2.58Å; Y332-H336 VanDerWaalsContact O-CD2 3.26Å; Y332-H336 PolarHBondContact O-N 2.84Å; Y332-F371 HydrophobicContact CD1-CE2 4.2Å; Y332-F371 HydrophobicContact CG-CE2 4.44Å
333S95.4Very high86.7Confident0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-60.5-41.5176.6-580000111.8T329 A330 V331 A337 L366T329-S333 WeakPolarHBondContact O-CB 3.38Å; T329-S333 PolarHBondContact O-N 3.25Å; T329-S333 PolarHBondContact O-OG 3.34Å; A330-S333 PolarHBondContact O-N 3.34Å; V331-S333 VanDerWaalsContact C-N 3.31Å; V331-S333 PolarHBondContact O-N 2.93Å; S333-A337 WeakPolarHBondContact O-CB 3.48Å; S333-A337 PolarHBondContact O-N 3.05Å; S333-L366 WeakPolarHBondContact O-CD1 3.4Å
334I95.6Very high87.5Confident17 Ų1725.5 Ų25.59%0.08713%0.126CC..Hα-helixtrans-66.7-44.1176-66.1158.3000110.8A70 A71 V73 V96 A330 V331 Y332 A337 L338 L362 L366A70-I334 HydrophobicContact CB-CG2 4.43Å; A71-I334 HydrophobicContact CB-CD1 3.64Å; A71-I334 HydrophobicContact CB-CG1 3.86Å; A71-I334 HydrophobicContact CB-CG2 4.13Å; V73-I334 HydrophobicContact CG2-CD1 3.41Å; V73-I334 VanDerWaalsContact CG2-CD1 3.41Å; V96-I334 HydrophobicContact CB-CD1 4.34Å; V96-I334 HydrophobicContact CG2-CD1 3.98Å; V96-I334 HydrophobicContact CG2-CG1 3.94Å; A330-I334 WeakPolarHBondContact O-CD1 3.34Å; A330-I334 WeakPolarHBondContact O-CG1 3.38Å; A330-I334 PolarHBondContact O-N 2.98Å; A330-I334 VanDerWaalsContact O-N 3.14Å; V331-I334 PolarHBondContact O-N 3.31Å; Y332-I334 VanDerWaalsContact C-N 3.31Å; Y332-I334 PolarHBondContact O-N 3.45Å; I334-A337 WeakPolarHBondContact O-CB 3.23Å; I334-A337 PolarHBondContact O-N 3.41Å; I334-L338 HydrophobicContact CG2-CD1 4.09Å; I334-L338 WeakPolarHBondContact O-CG 3.35Å; I334-L338 PolarHBondContact O-N 2.91Å; I334-L362 HydrophobicContact CG2-CD2 4.47Å; I334-L366 HydrophobicContact CG1-CD1 4.48Å
335A95.1Very high87.7Confident0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-64.8-41.6-179.700000112.6I17 L23 L24 L29 V331 Y332 L338 H339I17-A335 HydrophobicContact CD1-CB 3.74Å; I17-A335 HydrophobicContact CG2-CB 4.13Å; L23-A335 HydrophobicContact CD2-CB 4.06Å; L24-A335 HydrophobicContact CD1-CB 3.95Å; L29-A335 HydrophobicContact CD1-CB 4.11Å; V331-A335 PolarHBondContact O-N 3.44Å; Y332-A335 PolarHBondContact O-N 2.9Å; A335-L338 PolarHBondContact O-N 3.05Å; A335-H339 WeakPolarHBondContact O-CB 3.34Å; A335-H339 PolarHBondContact O-N 3.32Å
336H95.1Very high87.1Confident36 Ų3631.7 Ų31.717%0.16715%0.154CC..Hα-helixtrans-64.1-42.2172.6-83.8-77.7000111.8Y332 L338 H339 D340 F371Y332-H336 AromaticContact CD1-CD2 4Å; Y332-H336 AromaticContact CD1-NE2 3.93Å; Y332-H336 WeakPolarHBondContact O-CB 3.24Å; Y332-H336 PolarHBondContact O-CD2 2.58Å; Y332-H336 VanDerWaalsContact O-CD2 3.26Å; Y332-H336 PolarHBondContact O-N 2.84Å; H336-L338 VanDerWaalsContact C-N 3.32Å; H336-L338 PolarHBondContact O-N 2.9Å; H336-H339 PolarHBondContact O-N 3.13Å; H336-H339 VanDerWaalsContact O-N 3.15Å; H336-D340 WeakPolarHBondContact O-CB 3.25Å; H336-D340 VanDerWaalsContact O-CG 3.24Å; H336-D340 PolarHBondContact O-N 3.42Å; H336-F371 HydrophobicContact CB-CD1 4.03Å; H336-F371 HydrophobicContact CB-CE1 4.45Å; H336-F371 HydrophobicContact CB-CG 4.29Å; H336-F371 AromaticContact CD2-CD1 3.83Å; H336-F371 AromaticContact CD2-CD2 3.28Å; H336-F371 WeakPolarHBondContact CD2-CD2 3.25Å; H336-F371 AromaticContact CD2-CE2 3.62Å; H336-F371 AromaticContact CD2-CG 3.4Å; H336-F371 WeakPolarHBondContact CD2-CG 3.14Å; H336-F371 AromaticContact CG-CD1 3.9Å; H336-F371 AromaticContact CG-CG 3.66Å; H336-F371 AromaticContact NE2-CD2 3.31Å; H336-F371 VanDerWaalsContact NE2-CD2 3.31Å; H336-F371 WeakPolarHBondContact NE2-CD2 3.49Å; H336-F371 AromaticContact NE2-CE2 3.94Å; H336-F371 AromaticContact NE2-CG 3.67Å
337A94.6Very high86.2Confident0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-59.9-42174.800000112.5S333 I334 M341 L362 V365 L366 V369S333-A337 WeakPolarHBondContact O-CB 3.48Å; S333-A337 PolarHBondContact O-N 3.05Å; I334-A337 WeakPolarHBondContact O-CB 3.23Å; I334-A337 PolarHBondContact O-N 3.41Å; A337-M341 VanDerWaalsContact O-CB 3.31Å; A337-M341 WeakPolarHBondContact O-CB 3.4Å; A337-M341 PolarHBondContact O-N 3.41Å; A337-L362 HydrophobicContact CB-CD1 3.6Å; A337-V365 HydrophobicContact CB-CG1 4.25Å; A337-V365 WeakPolarHBondContact O-CG1 3.22Å; A337-L366 HydrophobicContact CB-CB 3.91Å; A337-L366 HydrophobicContact CB-CD1 3.81Å; A337-L366 HydrophobicContact CB-CG 4.46Å; A337-V369 HydrophobicContact CB-CG1 3.63Å
338L92.1Very high84.7Confident9 Ų944.1 Ų44.15%0.04721%0.212CC..Hα-helixtrans-64.3-42174.6-73.7168.2000111.5L24 L29 A70 I334 A335 H336 M341 I342 F357 L362L24-L338 HydrophobicContact CD1-CB 4.4Å; L24-L338 HydrophobicContact CD2-CB 4.01Å; L29-L338 HydrophobicContact CD2-CD1 3.88Å; A70-L338 HydrophobicContact CB-CD1 4.21Å; A70-L338 HydrophobicContact CB-CD2 4.46Å; I334-L338 HydrophobicContact CG2-CD1 4.09Å; I334-L338 WeakPolarHBondContact O-CG 3.35Å; I334-L338 PolarHBondContact O-N 2.91Å; A335-L338 PolarHBondContact O-N 3.05Å; H336-L338 VanDerWaalsContact C-N 3.32Å; H336-L338 PolarHBondContact O-N 2.9Å; L338-M341 HydrophobicContact CD2-CE 3.89Å; L338-M341 PolarHBondContact O-N 2.97Å; L338-I342 WeakPolarHBondContact O-CD1 3.43Å; L338-I342 VanDerWaalsContact O-CG1 3.23Å; L338-I342 WeakPolarHBondContact O-CG1 3.4Å; L338-I342 PolarHBondContact O-N 3.11Å; L338-F357 HydrophobicContact CD2-CE1 3.85Å; L338-F357 HydrophobicContact CD2-CE2 4.31Å; L338-F357 HydrophobicContact CD2-CZ 3.67Å; L338-L362 HydrophobicContact CD2-CD1 3.8Å; L338-L362 HydrophobicContact CD2-CD2 4.1Å; L338-L362 HydrophobicContact CG-CD1 3.9Å; L338-L362 HydrophobicContact CG-CD2 4.4Å
339H92.2Very high82.9Confident54 Ų5447.4 Ų47.425%0.2525%0.247CC..Hα-helixtrans-64.5-44.9179.5-175.178.1000112.2H22 L23 L24 A335 H336 M341 I342 S343H22-H339 PolarHBondContact O-CE1 2.84Å; L23-H339 HydrophobicContact CD1-CB 3.68Å; L24-H339 HydrophobicContact CD2-CB 3.85Å; L24-H339 HydrophobicContact CG-CB 4.24Å; L24-H339 PolarHBondContact N-ND1 3.43Å; A335-H339 WeakPolarHBondContact O-CB 3.34Å; A335-H339 PolarHBondContact O-N 3.32Å; H336-H339 PolarHBondContact O-N 3.13Å; H336-H339 VanDerWaalsContact O-N 3.15Å; H339-M341 VanDerWaalsContact C-N 3.32Å; H339-M341 PolarHBondContact O-N 3.39Å; H339-I342 PolarHBondContact O-N 3.36Å; H339-S343 WeakPolarHBondContact O-CB 3.45Å; H339-S343 PolarHBondContact O-N 2.87Å; H339-S343 PolarHBondContact O-OG 3.49Å
340D90.8Very high81Confident61 Ų6154.4 Ų54.433%0.32628%0.276SS..Hα-helixtrans-64.4-39.4177.7-68-9.6000111H336 S343 Y344 V365H336-D340 WeakPolarHBondContact O-CB 3.25Å; H336-D340 VanDerWaalsContact O-CG 3.24Å; H336-D340 PolarHBondContact O-N 3.42Å; D340-S343 WeakPolarHBondContact CA-OG 3.25Å; D340-S343 PolarHBondContact O-OG 2.78Å; D340-S343 VanDerWaalsContact O-OG 3.05Å; D340-Y344 WeakPolarHBondContact O-CB 3.45Å; D340-Y344 PolarHBondContact O-N 3.34Å; D340-Y344 VanDerWaalsContact O-N 3.1Å; D340-V365 HydrophobicContact CB-CG1 3.87Å
341M87.3Confident79.1Confident17 Ų1758 Ų588%0.08431%0.313CS..Hα-helixtrans-64-47.9175.8-171174.769.400112A337 L338 H339 E345 F357 Q361 V365A337-M341 VanDerWaalsContact O-CB 3.31Å; A337-M341 WeakPolarHBondContact O-CB 3.4Å; A337-M341 PolarHBondContact O-N 3.41Å; L338-M341 HydrophobicContact CD2-CE 3.89Å; L338-M341 PolarHBondContact O-N 2.97Å; H339-M341 VanDerWaalsContact C-N 3.32Å; H339-M341 PolarHBondContact O-N 3.39Å; M341-E345 PolarHBondContact O-N 3.31Å; M341-F357 HydrophobicContact CE-CB 3.82Å; M341-F357 HydrophobicContact CE-CD1 3.72Å; M341-F357 HydrophobicContact CE-CD2 3.89Å; M341-F357 HydrophobicContact CE-CE1 4.25Å; M341-F357 HydrophobicContact CE-CE2 4.41Å; M341-F357 HydrophobicContact CE-CG 3.53Å; M341-F357 HydrophobicContact SD-CB 4.27Å; M341-F357 HydrophobicContact SD-CG 4.4Å; M341-Q361 HydrophobicContact SD-CB 4.33Å; M341-V365 HydrophobicContact CB-CG2 4.21Å; M341-V365 HydrophobicContact CG-CG2 4.4Å
342I83.6Confident77Confident28 Ų2861 Ų6114%0.14433%0.332CS..Hα-helixtrans-66.2-42.7-179.8-66.8164.5000110.9L24 L27 L338 H339 Y344 E345 H346L24-I342 HydrophobicContact CD2-CD1 3.89Å; L27-I342 HydrophobicContact CD1-CD1 3.88Å; L338-I342 WeakPolarHBondContact O-CD1 3.43Å; L338-I342 VanDerWaalsContact O-CG1 3.23Å; L338-I342 WeakPolarHBondContact O-CG1 3.4Å; L338-I342 PolarHBondContact O-N 3.11Å; H339-I342 PolarHBondContact O-N 3.36Å; I342-Y344 PolarHBondContact O-N 3.33Å; I342-E345 PolarHBondContact O-N 3.38Å; I342-H346 PolarHBondContact O-N 3.39Å; I342-H346 PolarHBondContact O-ND1 2.82Å
343S80.1Confident75.4Confident51 Ų5166.4 Ų66.436%0.35736%0.362SS..Hα-helixtrans-66.9-34.8-178.860.20000112.9H339 D340 H346 Q347H339-S343 WeakPolarHBondContact O-CB 3.45Å; H339-S343 PolarHBondContact O-N 2.87Å; H339-S343 PolarHBondContact O-OG 3.49Å; D340-S343 WeakPolarHBondContact CA-OG 3.25Å; D340-S343 PolarHBondContact O-OG 2.78Å; D340-S343 VanDerWaalsContact O-OG 3.05Å; S343-H346 PolarHBondContact O-N 3.09Å; S343-Q347 PolarHBondContact O-N 3.12Å
344Y71.9Confident73.7Confident163 Ų16368.9 Ų68.964%0.63938%0.379SS*.Hα-helixtrans-65-42.8174.8-170.9-99.3000112.3D340 I342 H346 Q347 D348D340-Y344 WeakPolarHBondContact O-CB 3.45Å; D340-Y344 PolarHBondContact O-N 3.34Å; D340-Y344 VanDerWaalsContact O-N 3.1Å; I342-Y344 PolarHBondContact O-N 3.33Å; Y344-H346 VanDerWaalsContact C-N 3.32Å; Y344-H346 PolarHBondContact O-N 3.04Å; Y344-Q347 PolarHBondContact O-N 3.11Å; Y344-Q347 VanDerWaalsContact O-N 3.15Å; Y344-D348 PolarHBondContact O-N 3.48Å
345E64.3Low72.3Confident48 Ų4874.4 Ų74.422%0.22441%0.405CS..Hα-helixtrans-66.2-33178-71-173.3-177.900112.9M341 I342 Q347 D348 T352M341-E345 PolarHBondContact O-N 3.31Å; I342-E345 PolarHBondContact O-N 3.38Å; E345-Q347 VanDerWaalsContact C-N 3.27Å; E345-Q347 PolarHBondContact O-N 3.06Å; E345-D348 PolarHBondContact O-N 3.44Å; E345-T352 PolarHBondContact OE2-OG1 3.26Å
346H59.3Low71.3Confident134 Ų13479.6 Ų79.662%0.6243%0.433SS*.Hα-helixtrans-67.4-25.8174.2-7773.5000113I342 S343 Y344I342-H346 PolarHBondContact O-N 3.39Å; I342-H346 PolarHBondContact O-ND1 2.82Å; S343-H346 PolarHBondContact O-N 3.09Å; Y344-H346 VanDerWaalsContact C-N 3.32Å; Y344-H346 PolarHBondContact O-N 3.04Å
347Q60Low70.7Confident170 Ų17078.8 Ų78.879%0.79443%0.429SS*.Hα-helixtrans-82-30.7177.3-73.8-176-7.700113.4S343 Y344 E345 G349S343-Q347 PolarHBondContact O-N 3.12Å; Y344-Q347 PolarHBondContact O-N 3.11Å; Y344-Q347 VanDerWaalsContact O-N 3.15Å; E345-Q347 VanDerWaalsContact C-N 3.27Å; E345-Q347 PolarHBondContact O-N 3.06Å; Q347-G349 VanDerWaalsContact C-N 3.3Å; Q347-G349 PolarHBondContact O-N 3.27Å
348D57.3Low70.3Confident105 Ų10583.5 Ų83.556%0.56145%0.451SS*.THydrogen-bonded Turntrans-86.75.1-177.5-158.634.5000113.6Y344 E345 K350Y344-D348 PolarHBondContact O-N 3.48Å; E345-D348 PolarHBondContact O-N 3.44Å; D348-K350 PolarHBondContact O-N 2.94Å
349G51.3Low70.1Confident71 Ų7184.3 Ų84.373%0.73246%0.457SS*.THydrogen-bonded Turntrans692.5174.600000115.5Q347Q347-G349 VanDerWaalsContact C-N 3.3Å; Q347-G349 PolarHBondContact O-N 3.27Å
350K52.8Low69.9Low155 Ų15588.2 Ų88.267%0.67447%0.469SS*.  trans-94.286.3168.6-77178.7179.7169.20108.9D348 T352D348-K350 PolarHBondContact O-N 2.94Å; K350-T352 VanDerWaalsContact C-N 3.33Å; K350-T352 PolarHBondContact O-N 3.48Å
351G53.3Low69.9Low75 Ų7588.1 Ų88.177%0.77347%0.467SS*.  trans-71.386.517200000111.2
352T50.3Low70.1Confident67 Ų6787.3 Ų87.341%0.41146%0.463SS..  trans-78146.7159.78.60000109.5E345 K350 S354E345-T352 PolarHBondContact OE2-OG1 3.26Å; K350-T352 VanDerWaalsContact C-N 3.33Å; K350-T352 PolarHBondContact O-N 3.48Å; T352-S354 PolarHBondContact O-N 3.2Å
353N60.4Low70.6Confident133 Ų13386.5 Ų86.571%0.71146%0.459SS*.  trans-59.1133.7173.8-79.9-25.5000109Q355 D356N353-Q355 PolarHBondContact O-N 3.06Å; N353-D356 PolarHBondContact O-N 3.02Å
354S61.2Low71.2Confident52 Ų5289.1 Ų89.136%0.36447%0.465SS..THydrogen-bonded Turntrans-57.32.8177.2-42.80000115.3T352T352-S354 PolarHBondContact O-N 3.2Å
355Q65.3Low72.2Confident133 Ų13383 Ų8362%0.62144%0.444SS*.THydrogen-bonded Turntrans-111.10-178.9-64178.91.600113.2P68 N353P68-Q355 WeakPolarHBondContact CD-O 3.44Å; P68-Q355 HydrophobicContact CG-CB 4.35Å; P68-Q355 VanDerWaalsContact CG-O 3.24Å; P68-Q355 WeakPolarHBondContact CG-O 3.1Å; N353-Q355 PolarHBondContact O-N 3.06Å
356D73.6Confident73.7Confident109 Ų10980.7 Ų80.758%0.58343%0.434SS*.  trans-118.679.7-177.4-167.213.3000111.2N353N353-D356 PolarHBondContact O-N 3.02Å
357F82.7Confident75.3Confident20 Ų2078.8 Ų78.89%0.08842%0.421CS..  trans-135.2150.7173.170.5-90.2000111.2P68 A70 L338 M341 L362P68-F357 HydrophobicContact CB-CE1 4.14Å; P68-F357 HydrophobicContact CB-CZ 4.45Å; P68-F357 HydrophobicContact CG-CD1 4.44Å; P68-F357 HydrophobicContact CG-CE1 3.89Å; A70-F357 HydrophobicContact CB-CE2 4.49Å; A70-F357 HydrophobicContact CB-CZ 3.91Å; L338-F357 HydrophobicContact CD2-CE1 3.85Å; L338-F357 HydrophobicContact CD2-CE2 4.31Å; L338-F357 HydrophobicContact CD2-CZ 3.67Å; M341-F357 HydrophobicContact CE-CB 3.82Å; M341-F357 HydrophobicContact CE-CD1 3.72Å; M341-F357 HydrophobicContact CE-CD2 3.89Å; M341-F357 HydrophobicContact CE-CE1 4.25Å; M341-F357 HydrophobicContact CE-CE2 4.41Å; M341-F357 HydrophobicContact CE-CG 3.53Å; M341-F357 HydrophobicContact SD-CB 4.27Å; M341-F357 HydrophobicContact SD-CG 4.4Å; F357-L362 HydrophobicContact CD2-CB 4.18Å; F357-L362 HydrophobicContact CE2-CB 3.97Å; F357-L362 HydrophobicContact CE2-CD2 4.02Å; F357-L362 HydrophobicContact CZ-CD2 4.45Å
358Q85.8Confident76.9Confident99 Ų9977.6 Ų77.646%0.46341%0.413SS..  trans-89.5143.1174.7-60.8-63-47.700110.5W360 Q361Q358-W360 VanDerWaalsContact CB-CD1 3.47Å; Q358-W360 HydrophobicContact CB-CG 4.32Å; Q358-W360 PolarHBondContact O-N 3.42Å; Q358-Q361 HydrophobicContact CB-CG 4.38Å; Q358-Q361 WeakPolarHBondContact O-CB 3.49Å; Q358-Q361 PolarHBondContact O-N 2.04Å
359P88Confident78.6Confident26 Ų2672.7 Ų72.717%0.16939%0.387CS..Hα-helixtrans-53.3-33.5-177.8-29.135000114.7F93 Q361 L362 L363F93-P359 HydrophobicContact CB-CB 4.33Å; F93-P359 HydrophobicContact CD2-CB 3.5Å; F93-P359 VanDerWaalsContact CD2-CB 3.5Å; F93-P359 HydrophobicContact CD2-CG 3.4Å; F93-P359 HydrophobicContact CE2-CB 3.86Å; F93-P359 HydrophobicContact CE2-CG 3.48Å; F93-P359 VanDerWaalsContact CE2-CG 3.48Å; F93-P359 HydrophobicContact CG-CB 4.01Å; F93-P359 HydrophobicContact CG-CG 4.38Å; P359-Q361 VanDerWaalsContact C-N 3.32Å; P359-Q361 PolarHBondContact O-N 2.84Å; P359-L362 PolarHBondContact O-N 2.9Å; P359-L363 PolarHBondContact O-N 3.42Å
360W89.3Confident80.6Confident135 Ų13574.5 Ų74.551%0.51138%0.376SS..Hα-helixtrans-69.6-25.7178.767-96.3000113.7K92 Q358 H364K92-W360 HydrophobicContact CB-CB 3.71Å; K92-W360 HydrophobicContact CD-CB 4.07Å; Q358-W360 VanDerWaalsContact CB-CD1 3.47Å; Q358-W360 HydrophobicContact CB-CG 4.32Å; Q358-W360 PolarHBondContact O-N 3.42Å; W360-H364 PolarHBondContact O-N 2.04Å
361Q90.7Very high82.5Confident60 Ų6067.7 Ų67.728%0.2835%0.347SS..Hα-helixtrans-69-47.7174.3-66.9172.4-80.200109.4M341 Q358 P359 L363 H364 V365M341-Q361 HydrophobicContact SD-CB 4.33Å; Q358-Q361 HydrophobicContact CB-CG 4.38Å; Q358-Q361 WeakPolarHBondContact O-CB 3.49Å; Q358-Q361 PolarHBondContact O-N 2.04Å; P359-Q361 VanDerWaalsContact C-N 3.32Å; P359-Q361 PolarHBondContact O-N 2.84Å; Q361-L363 VanDerWaalsContact C-N 3.32Å; Q361-L363 PolarHBondContact O-N 2.69Å; Q361-H364 WeakPolarHBondContact O-CB 3.37Å; Q361-H364 PolarHBondContact O-N 3.42Å; Q361-H364 VanDerWaalsContact O-N 3.11Å; Q361-V365 PolarHBondContact O-N 2.92Å
362L91.6Very high84.3Confident0 Ų071 Ų710%034%0.34CS..Hα-helixtrans-60.3-42.8174.7-177.762.5000111.3A70 A71 P94 I334 A337 L338 F357 P359 H364 V365 L366A70-L362 HydrophobicContact CB-CD2 3.8Å; A70-L362 WeakPolarHBondContact O-CD2 3.44Å; A71-L362 HydrophobicContact CB-CD2 4.44Å; P94-L362 HydrophobicContact CG-CD2 4.33Å; I334-L362 HydrophobicContact CG2-CD2 4.47Å; A337-L362 HydrophobicContact CB-CD1 3.6Å; L338-L362 HydrophobicContact CD2-CD1 3.8Å; L338-L362 HydrophobicContact CD2-CD2 4.1Å; L338-L362 HydrophobicContact CG-CD1 3.9Å; L338-L362 HydrophobicContact CG-CD2 4.4Å; F357-L362 HydrophobicContact CD2-CB 4.18Å; F357-L362 HydrophobicContact CE2-CB 3.97Å; F357-L362 HydrophobicContact CE2-CD2 4.02Å; F357-L362 HydrophobicContact CZ-CD2 4.45Å; P359-L362 PolarHBondContact O-N 2.9Å; L362-H364 PolarHBondContact O-N 3.32Å; L362-V365 PolarHBondContact O-N 2.59Å; L362-L366 WeakPolarHBondContact O-CB 3.43Å; L362-L366 PolarHBondContact O-N 2.8Å
363L93.8Very high85.9Confident11 Ų1168.1 Ų68.16%0.05832%0.322CS..Hα-helixtrans-56.4-37.5176177.664.1000112.4P94 I115 P359 Q361 R367P94-L363 HydrophobicContact CB-CB 4.24Å; P94-L363 HydrophobicContact CB-CD1 4.02Å; I115-L363 HydrophobicContact CD1-CD1 3.86Å; I115-L363 HydrophobicContact CG1-CD1 4.43Å; P359-L363 PolarHBondContact O-N 3.42Å; Q361-L363 VanDerWaalsContact C-N 3.32Å; Q361-L363 PolarHBondContact O-N 2.69Å; L363-R367 WeakPolarHBondContact O-CG 3.3Å; L363-R367 PolarHBondContact O-N 2.64Å
364H92.1Very high87Confident105 Ų10565.3 Ų65.349%0.48631%0.311SS..Hα-helixtrans-67-42.7178.6-171.282.4000112.3W360 Q361 L362 K368W360-H364 PolarHBondContact O-N 2.04Å; Q361-H364 WeakPolarHBondContact O-CB 3.37Å; Q361-H364 PolarHBondContact O-N 3.42Å; Q361-H364 VanDerWaalsContact O-N 3.11Å; L362-H364 PolarHBondContact O-N 3.32Å; H364-K368 PolarHBondContact NE2-NZ 2.98Å
365V93.7Very high88.1Confident34 Ų3465.4 Ų65.421%0.20631%0.307CS..Hα-helixtrans-70.5-44.4177.7-175.80000110.3A337 D340 M341 Q361 L362 R367 K368 V369A337-V365 HydrophobicContact CB-CG1 4.25Å; A337-V365 WeakPolarHBondContact O-CG1 3.22Å; D340-V365 HydrophobicContact CB-CG1 3.87Å; M341-V365 HydrophobicContact CB-CG2 4.21Å; M341-V365 HydrophobicContact CG-CG2 4.4Å; Q361-V365 PolarHBondContact O-N 2.92Å; L362-V365 PolarHBondContact O-N 2.59Å; V365-R367 VanDerWaalsContact C-N 3.25Å; V365-R367 PolarHBondContact O-N 2.85Å; V365-K368 PolarHBondContact O-N 2.03Å; V365-V369 PolarHBondContact O-N 2.72Å
366L94.9Very high89.1Confident0 Ų061.4 Ų61.40%030%0.302CS..Hα-helixtrans-57.1-34.9-179.2-175.560.1000113.2P94 V96 I115 S333 I334 A337 L362 K368 V369 F381P94-L366 HydrophobicContact CB-CD2 3.97Å; V96-L366 HydrophobicContact CG2-CD2 3.64Å; I115-L366 HydrophobicContact CD1-CB 4.21Å; I115-L366 HydrophobicContact CD1-CD2 3.76Å; I115-L366 HydrophobicContact CD1-CG 3.68Å; S333-L366 WeakPolarHBondContact O-CD1 3.4Å; I334-L366 HydrophobicContact CG1-CD1 4.48Å; A337-L366 HydrophobicContact CB-CB 3.91Å; A337-L366 HydrophobicContact CB-CD1 3.81Å; A337-L366 HydrophobicContact CB-CG 4.46Å; L362-L366 WeakPolarHBondContact O-CB 3.43Å; L362-L366 PolarHBondContact O-N 2.8Å; L366-K368 PolarHBondContact O-N 2.85Å; L366-V369 HydrophobicContact CD1-CG1 4.44Å; L366-V369 WeakPolarHBondContact O-CG2 3.31Å; L366-F381 WeakPolarHBondContact O-CD2 3.33Å
367R93.2Very high89.7Confident94 Ų9456.9 Ų56.936%0.35528%0.279SS..THydrogen-bonded Turntrans-66.4-17.2175.6-75.5174.9176.4-173.5-2.5114.3P112 I115 L363 V365P112-R367 PolarHBondContact O-NH2 3.36Å; I115-R367 HydrophobicContact CD1-CG 3.83Å; L363-R367 WeakPolarHBondContact O-CG 3.3Å; L363-R367 PolarHBondContact O-N 2.64Å; V365-R367 VanDerWaalsContact C-N 3.25Å; V365-R367 PolarHBondContact O-N 2.85Å
368K92.7Very high90Very high146 Ų14660.5 Ų60.564%0.63530%0.296SS*.THydrogen-bonded Turntrans-116.74.5-173.4-61.4178.1177.4171.50112.9H364 V365 L366 H370H364-K368 PolarHBondContact NE2-NZ 2.98Å; V365-K368 PolarHBondContact O-N 2.03Å; L366-K368 PolarHBondContact O-N 2.85Å; K368-H370 PolarHBondContact O-N 3.13Å
369V92.9Very high90.2Very high2 Ų256 Ų561%0.01228%0.275CS..  trans-60.7138.9-179.6-62.80000110.2A337 V365 L366 F371 F381A337-V369 HydrophobicContact CB-CG1 3.63Å; V365-V369 PolarHBondContact O-N 2.72Å; L366-V369 HydrophobicContact CD1-CG1 4.44Å; L366-V369 WeakPolarHBondContact O-CG2 3.31Å; V369-F371 HydrophobicContact CB-CD1 4.47Å; V369-F371 HydrophobicContact CG2-CD1 4.48Å; V369-F371 HydrophobicContact CG2-CE1 4.39Å; V369-F381 HydrophobicContact CG2-CD2 3.8Å; V369-F381 HydrophobicContact CG2-CE2 3.5Å
370H93.7Very high90.4Very high108 Ų10857 Ų5750%0.528%0.278SS..EExtended strand (participates in β ladder)trans-143.5111.5174.6179.7-164.9000107.9K368 E378 I379K368-H370 PolarHBondContact O-N 3.13Å; H370-E378 IonicContact CD2-OE1 3.7Å; H370-E378 IonicContact CE1-OE1 2.74Å; H370-E378 PolarHBondContact CE1-OE1 3.34Å; H370-E378 WeakPolarHBondContact NE2-CG 3.01Å; H370-E378 IonicContact NE2-OE1 2.7Å; H370-E378 PolarHBondContact NE2-OE1 2.81Å; H370-I379 WeakPolarHBondContact CA-O 3.37Å
371F92.7Very high90.6Very high13 Ų1351.5 Ų51.56%0.05726%0.258CS..EExtended strand (participates in β ladder)trans-146.8169-178.169.6-81.9000111Y332 H336 V369 T373 I379Y332-F371 HydrophobicContact CD1-CE2 4.2Å; Y332-F371 HydrophobicContact CG-CE2 4.44Å; H336-F371 HydrophobicContact CB-CD1 4.03Å; H336-F371 HydrophobicContact CB-CE1 4.45Å; H336-F371 HydrophobicContact CB-CG 4.29Å; H336-F371 AromaticContact CD2-CD1 3.83Å; H336-F371 AromaticContact CD2-CD2 3.28Å; H336-F371 WeakPolarHBondContact CD2-CD2 3.25Å; H336-F371 AromaticContact CD2-CE2 3.62Å; H336-F371 AromaticContact CD2-CG 3.4Å; H336-F371 WeakPolarHBondContact CD2-CG 3.14Å; H336-F371 AromaticContact CG-CD1 3.9Å; H336-F371 AromaticContact CG-CG 3.66Å; H336-F371 AromaticContact NE2-CD2 3.31Å; H336-F371 VanDerWaalsContact NE2-CD2 3.31Å; H336-F371 WeakPolarHBondContact NE2-CD2 3.49Å; H336-F371 AromaticContact NE2-CE2 3.94Å; H336-F371 AromaticContact NE2-CG 3.67Å; V369-F371 HydrophobicContact CB-CD1 4.47Å; V369-F371 HydrophobicContact CG2-CD1 4.48Å; V369-F371 HydrophobicContact CG2-CE1 4.39Å; F371-T373 HydrophobicContact CD2-CG2 4.42Å; F371-T373 HydrophobicContact CE2-CG2 3.67Å; F371-T373 HydrophobicContact CZ-CG2 4.45Å; F371-I379 HydrophobicContact CD1-CB 4.05Å; F371-I379 HydrophobicContact CD1-CG2 4.3Å; F371-I379 HydrophobicContact CE1-CB 3.6Å; F371-I379 HydrophobicContact CE1-CG1 4.25Å; F371-I379 HydrophobicContact CE1-CG2 3.49Å; F371-I379 VanDerWaalsContact CE1-CG2 3.49Å; F371-I379 HydrophobicContact CE2-CB 4.19Å; F371-I379 HydrophobicContact CE2-CG1 4Å; F371-I379 HydrophobicContact CZ-CB 3.67Å; F371-I379 HydrophobicContact CZ-CG1 3.79Å; F371-I379 HydrophobicContact CZ-CG2 3.72Å; F371-I379 PolarHBondContact N-O 3.35Å; F371-I379 PolarHBondContact O-N 3.41Å
372K91Very high90.6Very high144 Ų14451.3 Ų51.363%0.62626%0.259SS*.EExtended strand (participates in β ladder)trans-109.9130.7170.5-67.6-173.5178.6-175.30109.4S377K372-S377 CarbonylContact C-O 3.53Å; K372-S377 VanDerWaalsContact CA-O 3.29Å; K372-S377 WeakPolarHBondContact CA-O 3.05Å
373T85.8Confident90.5Very high6 Ų656 Ų564%0.03730%0.298CS..  trans-70.4164.6171.543.80000110.8S256 F371 D375 G376 S377 I379S256-T373 WeakPolarHBondContact CB-OG1 3.29Å; F371-T373 HydrophobicContact CD2-CG2 4.42Å; F371-T373 HydrophobicContact CE2-CG2 3.67Å; F371-T373 HydrophobicContact CZ-CG2 4.45Å; T373-D375 VanDerWaalsContact CB-OD1 3.29Å; T373-D375 WeakPolarHBondContact CB-OD1 3.46Å; T373-D375 PolarHBondContact O-N 3.09Å; T373-D375 VanDerWaalsContact O-N 3.12Å; T373-D375 PolarHBondContact OG1-OD1 3.49Å; T373-G376 WeakPolarHBondContact O-CA 3.06Å; T373-G376 PolarHBondContact O-N 3.15Å; T373-S377 PolarHBondContact N-O 3.31Å; T373-S377 VanDerWaalsContact OG1-CB 3.29Å; T373-S377 WeakPolarHBondContact OG1-CB 3.21Å; T373-S377 PolarHBondContact OG1-N 2.61Å; T373-S377 PolarHBondContact OG1-O 2.92Å; T373-I379 HydrophobicContact CG2-CD1 4.45Å; T373-I379 HydrophobicContact CG2-CG1 3.85Å
374P83.4Confident90.5Very high75 Ų7559 Ų5949%0.48731%0.313SS..THydrogen-bonded Turntrans-57.7-25.5-178.7-3038.8000115.3Y328 G376Y328-P374 WeakPolarHBondContact OH-CD 3.39Å; Y328-P374 WeakPolarHBondContact OH-CG 3.03Å; P374-G376 VanDerWaalsContact C-N 3.27Å
375D83.9Confident90.5Very high53 Ų5354 Ų5428%0.28329%0.291SS..THydrogen-bonded Turntrans-82.4-0.1174.573.5-28.6000113.9S256 R257 I259 T373 S377S256-D375 VanDerWaalsContact CA-OD2 3.23Å; S256-D375 WeakPolarHBondContact CA-OD2 3.37Å; R257-D375 PolarHBondContact N-OD2 2.9Å; I259-D375 HydrophobicContact CD1-CB 4.09Å; I259-D375 HydrophobicContact CG1-CB 4.36Å; T373-D375 VanDerWaalsContact CB-OD1 3.29Å; T373-D375 WeakPolarHBondContact CB-OD1 3.46Å; T373-D375 PolarHBondContact O-N 3.09Å; T373-D375 VanDerWaalsContact O-N 3.12Å; T373-D375 PolarHBondContact OG1-OD1 3.49Å; D375-S377 PolarHBondContact OD1-N 2.92Å; D375-S377 PolarHBondContact OD1-OG 3.38Å; D375-S377 PolarHBondContact OD2-OG 3.4Å
376G85.4Confident90.4Very high49 Ų4952.7 Ų52.751%0.50528%0.283SS..SBendtrans89.10.5178.600000115.2T373 P374T373-G376 WeakPolarHBondContact O-CA 3.06Å; T373-G376 PolarHBondContact O-N 3.15Å; P374-G376 VanDerWaalsContact C-N 3.27Å
377S85.9Confident90.2Very high15 Ų1553 Ų5311%0.10529%0.285CS..  trans-68.3135.3177.2-58.80000111.1K372 T373 D375K372-S377 CarbonylContact C-O 3.53Å; K372-S377 VanDerWaalsContact CA-O 3.29Å; K372-S377 WeakPolarHBondContact CA-O 3.05Å; T373-S377 PolarHBondContact N-O 3.31Å; T373-S377 VanDerWaalsContact OG1-CB 3.29Å; T373-S377 WeakPolarHBondContact OG1-CB 3.21Å; T373-S377 PolarHBondContact OG1-N 2.61Å; T373-S377 PolarHBondContact OG1-O 2.92Å; D375-S377 PolarHBondContact OD1-N 2.92Å; D375-S377 PolarHBondContact OD1-OG 3.38Å; D375-S377 PolarHBondContact OD2-OG 3.4Å
378E89.3Confident90Very high95 Ų9550.2 Ų50.244%0.44428%0.278SS..EExtended strand (participates in β ladder)trans-90.4127.5-179.7-172.4168-132.800110.5H370 M380H370-E378 IonicContact CD2-OE1 3.7Å; H370-E378 IonicContact CE1-OE1 2.74Å; H370-E378 PolarHBondContact CE1-OE1 3.34Å; H370-E378 WeakPolarHBondContact NE2-CG 3.01Å; H370-E378 IonicContact NE2-OE1 2.7Å; H370-E378 PolarHBondContact NE2-OE1 2.81Å; E378-M380 HydrophobicContact CG-CE 3.87Å
379I90.7Very high89.7Confident5 Ų544.1 Ų44.13%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-114.5123.2-177.3-55.7-57.7000109.2T329 H370 F371 T373 L387T329-I379 HydrophobicContact CG2-CD1 3.68Å; T329-I379 HydrophobicContact CG2-CG1 4.04Å; T329-I379 HydrophobicContact CG2-CG2 4.03Å; H370-I379 WeakPolarHBondContact CA-O 3.37Å; F371-I379 HydrophobicContact CD1-CB 4.05Å; F371-I379 HydrophobicContact CD1-CG2 4.3Å; F371-I379 HydrophobicContact CE1-CB 3.6Å; F371-I379 HydrophobicContact CE1-CG1 4.25Å; F371-I379 HydrophobicContact CE1-CG2 3.49Å; F371-I379 VanDerWaalsContact CE1-CG2 3.49Å; F371-I379 HydrophobicContact CE2-CB 4.19Å; F371-I379 HydrophobicContact CE2-CG1 4Å; F371-I379 HydrophobicContact CZ-CB 3.67Å; F371-I379 HydrophobicContact CZ-CG1 3.79Å; F371-I379 HydrophobicContact CZ-CG2 3.72Å; F371-I379 PolarHBondContact N-O 3.35Å; F371-I379 PolarHBondContact O-N 3.41Å; T373-I379 HydrophobicContact CG2-CD1 4.45Å; T373-I379 HydrophobicContact CG2-CG1 3.85Å; I379-L387 HydrophobicContact CD1-CD1 4.23Å; I379-L387 HydrophobicContact CG2-CD1 3.86Å
380M92.1Very high89.5Confident47 Ų4748.2 Ų48.223%0.23227%0.27CS..EExtended strand (participates in β ladder)trans-153.2152174.764.1176.871.500110.7E378 V388E378-M380 HydrophobicContact CG-CE 3.87Å; M380-V388 HydrophobicContact CG-CB 4.03Å; M380-V388 PolarHBondContact O-N 3.44Å
381F92.4Very high89.3Confident20 Ų2043.1 Ų43.19%0.08825%0.247CC..BIsolated β-bridgetrans-107.1147.8176.8-57.4-67.7000111.9I115 R116 T117 L366 V369 D386 L387I115-F381 HydrophobicContact CG2-CD1 3.8Å; I115-F381 HydrophobicContact CG2-CD2 4.11Å; I115-F381 HydrophobicContact CG2-CE1 3.63Å; I115-F381 HydrophobicContact CG2-CE2 3.93Å; I115-F381 HydrophobicContact CG2-CG 4.05Å; I115-F381 HydrophobicContact CG2-CZ 3.7Å; R116-F381 VanDerWaalsContact O-CE1 3.27Å; R116-F381 WeakPolarHBondContact O-CE1 3.18Å; T117-F381 HydrophobicContact CG2-CE1 4.16Å; T117-F381 HydrophobicContact CG2-CZ 4.09Å; L366-F381 WeakPolarHBondContact O-CD2 3.33Å; V369-F381 HydrophobicContact CG2-CD2 3.8Å; V369-F381 HydrophobicContact CG2-CE2 3.5Å; F381-D386 CarbonylContact C-O 3.44Å; F381-D386 VanDerWaalsContact CA-O 3.28Å; F381-D386 WeakPolarHBondContact CA-O 3.38Å; F381-L387 HydrophobicContact CE1-CD1 4.41Å
382D91.1Very high89Confident56 Ų5644.1 Ų44.130%0.29925%0.253SS..  trans-78.3-178.7170.476-0.1000112.2N384 G385 D386 V388D382-N384 PolarHBondContact O-N 3.01Å; D382-N384 VanDerWaalsContact O-N 3.1Å; D382-N384 WeakPolarHBondContact OD1-CA 3.04Å; D382-N384 WeakPolarHBondContact OD1-CB 3.36Å; D382-N384 PolarHBondContact OD1-N 3.26Å; D382-G385 PolarHBondContact O-N 3.4Å; D382-G385 PolarHBondContact OD1-N 3.36Å; D382-D386 PolarHBondContact N-O 2.96Å; D382-D386 PolarHBondContact OD1-N 3.15Å; D382-V388 HydrophobicContact CB-CG2 3.74Å
383A90.3Very high89Confident98 Ų9837.3 Ų37.381%0.8122%0.223SC*.THydrogen-bonded Turntrans-59.3-22.5177.100000113.5
384N92.9Very high89.2Confident73 Ų7338.1 Ų38.139%0.3923%0.226SC..THydrogen-bonded Turntrans-96.513.4177.4-56.7-42.5000112.5K108 D382 D386K108-N384 WeakPolarHBondContact CE-O 3.4Å; K108-N384 PolarHBondContact NZ-O 2.89Å; D382-N384 PolarHBondContact O-N 3.01Å; D382-N384 VanDerWaalsContact O-N 3.1Å; D382-N384 WeakPolarHBondContact OD1-CA 3.04Å; D382-N384 WeakPolarHBondContact OD1-CB 3.36Å; D382-N384 PolarHBondContact OD1-N 3.26Å; N384-D386 PolarHBondContact O-N 2.7Å
385G91.8Very high89.4Confident2 Ų235.5 Ų35.52%0.02121%0.207CC..SBendtrans65.123177.800000113.9I115 R116 D382I115-G385 WeakPolarHBondContact CA-O 3.45Å; I115-G385 WeakPolarHBondContact CG2-O 2.99Å; R116-G385 PolarHBondContact N-O 3.04Å; D382-G385 PolarHBondContact O-N 3.4Å; D382-G385 PolarHBondContact OD1-N 3.36Å
386D92.9Very high89.4Confident6 Ų633 Ų333%0.03219%0.194CC..BIsolated β-bridgetrans-96.6142.4175.5-66.6-21.3000110.4S106 R116 F381 D382 N384 V388S106-D386 PolarHBondContact OG-OD2 2.86Å; R116-D386 WeakPolarHBondContact CG-OD1 3.48Å; R116-D386 IonicContact CZ-OD1 3.16Å; R116-D386 IonicContact CZ-OD2 2.77Å; R116-D386 IonicContact NE-OD1 2.81Å; R116-D386 PolarHBondContact NE-OD1 2.97Å; R116-D386 IonicContact NE-OD2 3.65Å; R116-D386 IonicContact NH2-OD1 3.97Å; R116-D386 PolarHBondContact NH2-OD1 3.08Å; R116-D386 IonicContact NH2-OD2 2.97Å; R116-D386 PolarHBondContact NH2-OD2 3.24Å; F381-D386 CarbonylContact C-O 3.44Å; F381-D386 VanDerWaalsContact CA-O 3.28Å; F381-D386 WeakPolarHBondContact CA-O 3.38Å; D382-D386 PolarHBondContact N-O 2.96Å; D382-D386 PolarHBondContact OD1-N 3.15Å; N384-D386 PolarHBondContact O-N 2.7Å; D386-V388 PolarHBondContact O-N 2.7Å
387L90.8Very high89.2Confident7 Ų734.3 Ų34.34%0.03719%0.187CC..BIsolated β-bridgetrans-64.7124.9177.5-176.871.7000110.1R116 T117 L118 T119 I379 F381 T389R116-L387 PolarHBondContact O-N 2.99Å; T117-L387 WeakPolarHBondContact O-CD2 3.25Å; L118-L387 PolarHBondContact O-N 2.81Å; T119-L387 WeakPolarHBondContact CG2-O 3.35Å; I379-L387 HydrophobicContact CD1-CD1 4.23Å; I379-L387 HydrophobicContact CG2-CD1 3.86Å; F381-L387 HydrophobicContact CE1-CD1 4.41Å; L387-T389 HydrophobicContact CD2-CG2 3.94Å; L387-T389 HydrophobicContact CG-CG2 4.29Å; L387-T389 PolarHBondContact O-N 2.92Å
388V89.2Confident88.8Confident35 Ų3538.5 Ų38.521%0.21220%0.204CC..  trans-88.3106.7171.1-173.70000108.5M380 D382 D386 Q415M380-V388 HydrophobicContact CG-CB 4.03Å; M380-V388 PolarHBondContact O-N 3.44Å; D382-V388 HydrophobicContact CB-CG2 3.74Å; D386-V388 PolarHBondContact O-N 2.7Å; V388-Q415 HydrophobicContact CG1-CG 3.95Å
389T86.5Confident87.8Confident17 Ų1736.1 Ų36.110%0.10420%0.196CC..  trans-143161.9179.6-170.70000112.3T119 H254 L387 P414T119-T389 HydrophobicContact CG2-CG2 3.84Å; H254-T389 PolarHBondContact O-OG1 2.79Å; L387-T389 HydrophobicContact CD2-CG2 3.94Å; L387-T389 HydrophobicContact CG-CG2 4.29Å; L387-T389 PolarHBondContact O-N 2.92Å; T389-P414 WeakPolarHBondContact O-CG 3.37Å
390K88.1Confident86.8Confident88 Ų8842.4 Ų42.438%0.38324%0.237SC..  trans-74160.1175.7-65.7-179.5-169.8-1450111H254 L411 I412 D413H254-K390 HydrophobicContact CB-CB 4.1Å; H254-K390 WeakPolarHBondContact CB-O 3.35Å; H254-K390 PolarHBondContact N-O 2.93Å; K390-L411 HydrophobicContact CB-CD1 3.5Å; K390-L411 HydrophobicContact CD-CD1 3.7Å; K390-L411 HydrophobicContact CD-CD2 4.5Å; K390-L411 HydrophobicContact CG-CD1 3.89Å; K390-I412 WeakPolarHBondContact CA-O 3.14Å; K390-D413 WeakPolarHBondContact CE-OD2 3.41Å; K390-D413 IonicContact NZ-OD2 2.99Å; K390-D413 PolarHBondContact NZ-OD2 3.33Å
391F88.3Confident85.7Confident2 Ų247.2 Ų47.21%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-115.8124.6172.2-57.1-91.7000110.7T119 T123 A127 L251 L252 L411 I412T119-F391 HydrophobicContact CG2-CE1 4.17Å; T119-F391 HydrophobicContact CG2-CZ 3.75Å; T123-F391 HydrophobicContact CG2-CZ 4.32Å; A127-F391 HydrophobicContact CB-CD2 3.98Å; A127-F391 HydrophobicContact CB-CE2 3.98Å; A127-F391 HydrophobicContact CB-CG 4.43Å; A127-F391 HydrophobicContact CB-CZ 4.43Å; L251-F391 HydrophobicContact CB-CB 4.43Å; L251-F391 HydrophobicContact CB-CD1 4.35Å; L252-F391 CarbonylContact O-C 3.48Å; L252-F391 WeakPolarHBondContact O-CA 3.25Å; F391-L411 CarbonylContact O-C 3.55Å; F391-L411 VanDerWaalsContact O-CA 3.3Å; F391-L411 WeakPolarHBondContact O-CA 3.25Å; F391-I412 HydrophobicContact CB-CB 4.16Å; F391-I412 HydrophobicContact CD2-CB 4.42Å; F391-I412 PolarHBondContact N-O 2.9Å; F391-I412 PolarHBondContact O-N 3.32Å
392D88.4Confident84.5Confident34 Ų3447.9 Ų47.918%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-77.8130.1168.2-64.4-39.7000109L252 H254 F394L252-D392 PolarHBondContact N-O 3.05Å; L252-D392 PolarHBondContact O-N 2.9Å; H254-D392 IonicContact CE1-OD2 3.41Å; H254-D392 IonicContact CG-OD2 2.81Å; H254-D392 IonicContact ND1-OD1 2.74Å; H254-D392 IonicContact ND1-OD2 3.38Å; H254-D392 PolarHBondContact ND1-OD2 3.44Å; D392-F394 HydrophobicContact CB-CD2 4.26Å; D392-F394 HydrophobicContact CB-CE2 3.72Å
393I90.9Very high83.6Confident0 Ų048.8 Ų48.80%028%0.283CS..EExtended strand (participates in β ladder)trans-91122.7176.9-56.4163.9000108L131 F249 L251 C408 V409 G410 I412 V424 L426L131-I393 HydrophobicContact CD1-CD1 3.9Å; L131-I393 HydrophobicContact CD2-CG2 4.33Å; F249-I393 HydrophobicContact CD1-CG2 3.93Å; L251-I393 HydrophobicContact CD2-CG1 3.93Å; I393-C408 CarbonylContact O-C 3.6Å; I393-C408 WeakPolarHBondContact O-CA 3.43Å; I393-V409 HydrophobicContact CB-CG2 4.13Å; I393-V409 HydrophobicContact CG2-CG2 3.69Å; I393-V409 WeakPolarHBondContact O-CG2 3.29Å; I393-V409 PolarHBondContact O-N 3.16Å; I393-G410 PolarHBondContact N-O 3.38Å; I393-G410 PolarHBondContact O-N 3.18Å; I393-I412 HydrophobicContact CD1-CD1 4.16Å; I393-I412 HydrophobicContact CD1-CG1 3.64Å; I393-I412 HydrophobicContact CG1-CD1 4.14Å; I393-I412 HydrophobicContact CG1-CG1 3.78Å; I393-V424 HydrophobicContact CD1-CG1 3.8Å; I393-L426 HydrophobicContact CD1-CD2 4.13Å
394F88.2Confident82.9Confident23 Ų2345.3 Ų45.310%0.10125%0.25CS..EExtended strand (participates in β ladder)trans-108.9139.4174.2-77.4-97.5000111T229 F249 G250 L252 D392 L406 V407 C408T229-F394 HydrophobicContact CG2-CB 3.85Å; T229-F394 HydrophobicContact CG2-CD2 4.02Å; T229-F394 HydrophobicContact CG2-CG 4.08Å; F249-F394 CarbonylContact C-O 3.58Å; F249-F394 VanDerWaalsContact CA-O 3.28Å; F249-F394 WeakPolarHBondContact CA-O 3.48Å; G250-F394 PolarHBondContact N-O 2.7Å; G250-F394 PolarHBondContact O-N 3.34Å; L252-F394 HydrophobicContact CB-CD2 3.88Å; L252-F394 HydrophobicContact CB-CE2 3.71Å; L252-F394 HydrophobicContact CD2-CE2 3.73Å; L252-F394 HydrophobicContact CD2-CZ 4.12Å; L252-F394 HydrophobicContact CG-CE2 4.37Å; D392-F394 HydrophobicContact CB-CD2 4.26Å; D392-F394 HydrophobicContact CB-CE2 3.72Å; F394-L406 HydrophobicContact CD1-CB 3.98Å; F394-V407 CarbonylContact C-O 3.52Å; F394-V407 VanDerWaalsContact CA-O 3.29Å; F394-V407 WeakPolarHBondContact CA-O 3.38Å; F394-C408 HydrophobicContact CD1-CB 4.21Å; F394-C408 HydrophobicContact CE1-CB 3.81Å; F394-C408 HydrophobicContact CE2-CB 4.38Å; F394-C408 HydrophobicContact CZ-CB 3.9Å
395Q88.6Confident82.1Confident20 Ų2045.8 Ų45.89%0.09325%0.25CC..EExtended strand (participates in β ladder)trans-116.5135.1173-166.2-173.52900111.1T248 F249 Q397 L406 V407 V409 L430T248-Q395 CarbonylContact O-C 3.55Å; T248-Q395 WeakPolarHBondContact O-CA 3.37Å; F249-Q395 HydrophobicContact CD1-CB 4.19Å; F249-Q395 HydrophobicContact CD1-CG 4.2Å; F249-Q395 HydrophobicContact CE1-CB 4.02Å; F249-Q395 HydrophobicContact CE1-CG 3.82Å; F249-Q395 HydrophobicContact CZ-CG 4.02Å; Q395-Q397 HydrophobicContact CG-CG 4.32Å; Q395-Q397 PolarHBondContact O-N 2.91Å; Q395-L406 WeakPolarHBondContact O-CA 3.49Å; Q395-V407 PolarHBondContact N-O 2.9Å; Q395-V407 PolarHBondContact O-N 2.9Å; Q395-V409 HydrophobicContact CB-CG1 3.81Å; Q395-V409 HydrophobicContact CB-CG2 4Å; Q395-L430 VanDerWaalsContact OE1-CD2 3.26Å
396G84.3Confident81.5Confident1 Ų146.3 Ų46.31%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-76.5111.3172.100000112.4G247 T248G247-G396 WeakPolarHBondContact CA-O 3.17Å; G247-G396 PolarHBondContact N-O 3.2Å; T248-G396 PolarHBondContact O-N 3.07Å
397Q81.1Confident81.1Confident77 Ų7748.9 Ų48.936%0.3627%0.268SS..EExtended strand (participates in β ladder)trans-123146.9-178.2-61.9-177.1800111.2Q395 F404 H405 V407Q395-Q397 HydrophobicContact CG-CG 4.32Å; Q395-Q397 PolarHBondContact O-N 2.91Å; Q397-F404 WeakPolarHBondContact O-CA 3.35Å; Q397-H405 PolarHBondContact N-O 2.81Å; Q397-H405 PolarHBondContact O-N 3.1Å; Q397-V407 HydrophobicContact CB-CG2 4.36Å; Q397-V407 HydrophobicContact CG-CG2 4.43Å
398K76.1Confident80.9Confident102 Ų10250.2 Ų50.244%0.44328%0.277SS..EExtended strand (participates in β ladder)trans-102.6125.4175-169.9175.1178.3177.70108.9G402 V403K398-G402 VanDerWaalsContact CE-CA 3.4Å; K398-G402 WeakPolarHBondContact CE-O 3.13Å; K398-V403 CarbonylContact C-O 3.58Å; K398-V403 WeakPolarHBondContact CA-O 3.33Å
399T69.4Low80.9Confident45 Ų4549 Ų4928%0.27627%0.27SS..  trans-70.4162175.658.90000110.8D401 G402 V403T399-D401 PolarHBondContact O-N 3.11Å; T399-G402 WeakPolarHBondContact O-CA 3.33Å; T399-G402 PolarHBondContact O-N 2.96Å; T399-V403 PolarHBondContact N-O 3.26Å; T399-V403 PolarHBondContact OG1-N 3.19Å; T399-V403 VanDerWaalsContact OG1-N 3.12Å; T399-V403 PolarHBondContact OG1-O 2.62Å; T399-V403 VanDerWaalsContact OG1-O 3.07Å
400P69.8Low81.1Confident138 Ų13848.3 Ų48.390%0.89627%0.266SS*.THydrogen-bonded Turntrans-54.1-32173.1-26.135.4000113.2G402P400-G402 PolarHBondContact O-N 3Å
401D69.3Low81.2Confident148 Ų14845.8 Ų45.879%0.79126%0.257SS*.THydrogen-bonded Turntrans-76.9-0.6177.1-54.2-42.8000113.5T399T399-D401 PolarHBondContact O-N 3.11Å
402G65.8Low81.3Confident33 Ų3345.7 Ų45.734%0.3426%0.256SS..SBendtrans85.25175.900000115.6K398 T399 P400K398-G402 VanDerWaalsContact CE-CA 3.4Å; K398-G402 WeakPolarHBondContact CE-O 3.13Å; T399-G402 WeakPolarHBondContact O-CA 3.33Å; T399-G402 PolarHBondContact O-N 2.96Å; P400-G402 PolarHBondContact O-N 3Å
403V72.2Confident81.2Confident76 Ų7645.1 Ų45.146%0.46125%0.253SS..  trans-83.8139.5178.6-172.30000110.1K398 T399 H405K398-V403 CarbonylContact C-O 3.58Å; K398-V403 WeakPolarHBondContact CA-O 3.33Å; T399-V403 PolarHBondContact N-O 3.26Å; T399-V403 PolarHBondContact OG1-N 3.19Å; T399-V403 VanDerWaalsContact OG1-N 3.12Å; T399-V403 PolarHBondContact OG1-O 2.62Å; T399-V403 VanDerWaalsContact OG1-O 3.07Å; V403-H405 VanDerWaalsContact CG1-NE2 3.34Å; V403-H405 WeakPolarHBondContact CG1-NE2 3.22Å
404F76.3Confident80.5Confident25 Ų2547.1 Ų47.111%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-94.4131.9179.9-171.9-80.9000111L236 L245 Q397 L406L236-F404 HydrophobicContact CD1-CD1 3.41Å; L236-F404 VanDerWaalsContact CD1-CD1 3.41Å; L236-F404 HydrophobicContact CD1-CE1 3.69Å; L236-F404 HydrophobicContact CD1-CG 4.46Å; L236-F404 HydrophobicContact CD2-CB 4.1Å; L236-F404 HydrophobicContact CD2-CD1 3.24Å; L236-F404 HydrophobicContact CD2-CD2 4.25Å; L236-F404 HydrophobicContact CD2-CE1 3.53Å; L236-F404 HydrophobicContact CD2-CE2 4.47Å; L236-F404 HydrophobicContact CD2-CG 3.61Å; L236-F404 HydrophobicContact CD2-CZ 4.12Å; L236-F404 HydrophobicContact CG-CD1 3.93Å; L236-F404 HydrophobicContact CG-CE1 4.11Å; L245-F404 HydrophobicContact CB-CE2 4.2Å; L245-F404 HydrophobicContact CB-CZ 4.03Å; L245-F404 WeakPolarHBondContact O-CE2 3.4Å; L245-F404 WeakPolarHBondContact O-CZ 3.14Å; Q397-F404 WeakPolarHBondContact O-CA 3.35Å; F404-L406 HydrophobicContact CE1-CD2 4.14Å; F404-L406 HydrophobicContact CE1-CG 4.39Å
405H76.3Confident79.5Confident83 Ų8351.9 Ų51.938%0.38429%0.289SS..EExtended strand (participates in β ladder)trans-131.5147.9176.8-68.8-88.2000111.3Q397 V403 V407Q397-H405 PolarHBondContact N-O 2.81Å; Q397-H405 PolarHBondContact O-N 3.1Å; V403-H405 VanDerWaalsContact CG1-NE2 3.34Å; V403-H405 WeakPolarHBondContact CG1-NE2 3.22Å; H405-V407 HydrophobicContact CB-CG2 4.46Å
406L79.7Confident77.7Confident13 Ų1352.1 Ų52.17%0.06829%0.294CS..EExtended strand (participates in β ladder)trans-92.5113.9168.5-70.7171000108M232 V321 F394 Q395 F404M232-L406 HydrophobicContact CE-CD2 3.98Å; M232-L406 HydrophobicContact SD-CD2 4.42Å; V321-L406 HydrophobicContact CG2-CD1 3.88Å; F394-L406 HydrophobicContact CD1-CB 3.98Å; Q395-L406 WeakPolarHBondContact O-CA 3.49Å; F404-L406 HydrophobicContact CE1-CD2 4.14Å; F404-L406 HydrophobicContact CE1-CG 4.39Å
407V83.3Confident75.6Confident59 Ų5957.1 Ų57.136%0.35833%0.329SS..EExtended strand (participates in β ladder)trans-105.3131.6-176.8-176.40000109.5F394 Q395 Q397 H405 V409F394-V407 CarbonylContact C-O 3.52Å; F394-V407 VanDerWaalsContact CA-O 3.29Å; F394-V407 WeakPolarHBondContact CA-O 3.38Å; Q395-V407 PolarHBondContact N-O 2.9Å; Q395-V407 PolarHBondContact O-N 2.9Å; Q397-V407 HydrophobicContact CB-CG2 4.36Å; Q397-V407 HydrophobicContact CG-CG2 4.43Å; H405-V407 HydrophobicContact CB-CG2 4.46Å; V407-V409 HydrophobicContact CG1-CG1 4.45Å; V407-V409 PolarHBondContact O-N 3.08Å
408C86.4Confident73.7Confident36 Ų3659.8 Ų59.824%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-75.5109.3175.9177.60000111I393 F394 K427I393-C408 CarbonylContact O-C 3.6Å; I393-C408 WeakPolarHBondContact O-CA 3.43Å; F394-C408 HydrophobicContact CD1-CB 4.21Å; F394-C408 HydrophobicContact CE1-CB 3.81Å; F394-C408 HydrophobicContact CE2-CB 4.38Å; F394-C408 HydrophobicContact CZ-CB 3.9Å; C408-K427 PolarHBondContact O-NZ 2.77Å; C408-K427 VanDerWaalsContact O-NZ 3.08Å; C408-K427 PolarHBondContact SG-NZ 3.04Å
409V89.7Confident72.3Confident10 Ų1057.5 Ų57.56%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-106.1-11.2-170.8-67.30000114.1F249 I393 Q395 V407 K427 L430F249-V409 HydrophobicContact CE1-CG2 4.34Å; I393-V409 HydrophobicContact CB-CG2 4.13Å; I393-V409 HydrophobicContact CG2-CG2 3.69Å; I393-V409 WeakPolarHBondContact O-CG2 3.29Å; I393-V409 PolarHBondContact O-N 3.16Å; Q395-V409 HydrophobicContact CB-CG1 3.81Å; Q395-V409 HydrophobicContact CB-CG2 4Å; V407-V409 HydrophobicContact CG1-CG1 4.45Å; V407-V409 PolarHBondContact O-N 3.08Å; V409-K427 PolarHBondContact O-N 3.45Å; V409-L430 HydrophobicContact CB-CD1 4Å; V409-L430 HydrophobicContact CB-CD2 3.88Å; V409-L430 HydrophobicContact CG1-CD1 4.36Å; V409-L430 HydrophobicContact CG1-CD2 3.94Å; V409-L430 HydrophobicContact CG2-CD2 3.98Å
410G90.6Very high71.5Confident2 Ų262.7 Ų62.72%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-178.8-169.9-177.400000113.9I393 Q425I393-G410 PolarHBondContact N-O 3.38Å; I393-G410 PolarHBondContact O-N 3.18Å; G410-Q425 CarbonylContact C-O 3.52Å; G410-Q425 WeakPolarHBondContact CA-O 3.37Å
411L90.9Very high71.2Confident35 Ų3564 Ų6418%0.18338%0.379CS..EExtended strand (participates in β ladder)trans-142.4140.6-172.4151.169.9000109.1K390 F391 Q425K390-L411 HydrophobicContact CB-CD1 3.5Å; K390-L411 HydrophobicContact CD-CD1 3.7Å; K390-L411 HydrophobicContact CD-CD2 4.5Å; K390-L411 HydrophobicContact CG-CD1 3.89Å; F391-L411 CarbonylContact O-C 3.55Å; F391-L411 VanDerWaalsContact O-CA 3.3Å; F391-L411 WeakPolarHBondContact O-CA 3.25Å; L411-Q425 PolarHBondContact N-O 2.67Å; L411-Q425 PolarHBondContact O-N 3.28Å
412I89.9Confident71.7Confident0 Ų057.8 Ų57.80%035%0.345CS..EExtended strand (participates in β ladder)trans-113122.4165.6-52.5-175.3000108.6A127 L251 K390 F391 I393 M422 M423 V424A127-I412 HydrophobicContact CB-CD1 4.18Å; L251-I412 HydrophobicContact CD1-CD1 4.33Å; L251-I412 HydrophobicContact CD2-CD1 3.85Å; K390-I412 WeakPolarHBondContact CA-O 3.14Å; F391-I412 HydrophobicContact CB-CB 4.16Å; F391-I412 HydrophobicContact CD2-CB 4.42Å; F391-I412 PolarHBondContact N-O 2.9Å; F391-I412 PolarHBondContact O-N 3.32Å; I393-I412 HydrophobicContact CD1-CD1 4.16Å; I393-I412 HydrophobicContact CD1-CG1 3.64Å; I393-I412 HydrophobicContact CG1-CD1 4.14Å; I393-I412 HydrophobicContact CG1-CG1 3.78Å; I412-M422 HydrophobicContact CG2-CB 3.64Å; I412-M422 HydrophobicContact CG2-CG 4.46Å; I412-M422 HydrophobicContact CG2-SD 4.23Å; I412-M423 WeakPolarHBondContact CA-O 3.33Å; I412-V424 HydrophobicContact CD1-CG2 4.3Å; I412-V424 HydrophobicContact CG1-CG2 4.15Å
413D86.5Confident72.5Confident22 Ų2260.3 Ų60.312%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-106.5115.8178.9-161.1-30.6000111K390 Q415 M422 M423K390-D413 WeakPolarHBondContact CE-OD2 3.41Å; K390-D413 IonicContact NZ-OD2 2.99Å; K390-D413 PolarHBondContact NZ-OD2 3.33Å; D413-Q415 VanDerWaalsContact C-N 3.32Å; D413-Q415 PolarHBondContact OD1-N 3.46Å; D413-M422 WeakPolarHBondContact O-CA 3.03Å; D413-M423 PolarHBondContact N-O 3.34Å; D413-M423 PolarHBondContact O-N 2.71Å
414P75.9Confident73.2Confident42 Ų4257.7 Ų57.727%0.27333%0.333SS..THydrogen-bonded Turntrans-77.4-9.7177.231.2-34.3000114.5T389 M422T389-P414 WeakPolarHBondContact O-CG 3.37Å; P414-M422 HydrophobicContact CB-CE 4.42Å; P414-M422 HydrophobicContact CB-CG 4.43Å
415Q67.4Low73.6Confident123 Ų12361.1 Ų61.158%0.57535%0.35SS*.THydrogen-bonded Turntrans-105.314-168.7-79-87.68.800115.1V388 D413 S417V388-Q415 HydrophobicContact CG1-CG 3.95Å; D413-Q415 VanDerWaalsContact C-N 3.32Å; D413-Q415 PolarHBondContact OD1-N 3.46Å; Q415-S417 PolarHBondContact O-N 3.41Å
416A50.7Low74.2Confident25 Ų2559.6 Ų59.621%0.20734%0.344CS..SBendtrans-87.289.7179.600000113.1M423A416-M423 HydrophobicContact CB-CB 4.31Å; A416-M423 HydrophobicContact CB-CE 3.33Å; A416-M423 HydrophobicContact CB-CG 3.71Å; A416-M423 HydrophobicContact CB-SD 3.69Å
417S40.2Very low74.4Confident106 Ų10665.8 Ų65.874%0.74137%0.371SS*.SBendtrans45.8107159.461.50000118.6Q415Q415-S417 PolarHBondContact O-N 3.41Å
418S42.4Very low74.2Confident132 Ų13270.2 Ų70.292%0.92339%0.387SS*.SBendtrans53.388.3155.8-171.70000117.4
419G45.9Very low73.6Confident54 Ų5476.7 Ų76.756%0.55742%0.42SS*.SBendtrans1158215400000114.6K421G419-K421 WeakPolarHBondContact O-CG 3.47Å; G419-K421 PolarHBondContact O-N 3.22Å
420N53.4Low73.2Confident154 Ų15477.9 Ų77.982%0.82443%0.425SS*.SBendtrans41.96.9167.9-75.48000119.2H126H126-N420 PolarHBondContact CE1-O 3.42Å
421K62.9Low72.6Confident165 Ų16587 Ų8772%0.71747%0.468SS*.  trans-97.7106.1-175.5-74.5177.2-178.6-176.30108.5G419G419-K421 WeakPolarHBondContact O-CG 3.47Å; G419-K421 PolarHBondContact O-N 3.22Å
422M79.3Confident72.3Confident19 Ų1987.1 Ų87.19%0.09447%0.47CS..PPolyproline II helixtrans-73.2133.1168.3-54.2174.8166.500108.3T123 H126 A127 Q130 I412 D413 P414T123-M422 HydrophobicContact CG2-CE 3.92Å; H126-M422 HydrophobicContact CB-CE 4.24Å; H126-M422 WeakPolarHBondContact ND1-CE 3.47Å; A127-M422 HydrophobicContact CB-SD 3.77Å; Q130-M422 HydrophobicContact CG-CB 4.08Å; Q130-M422 HydrophobicContact CG-CG 4.33Å; Q130-M422 HydrophobicContact CG-SD 4.26Å; I412-M422 HydrophobicContact CG2-CB 3.64Å; I412-M422 HydrophobicContact CG2-CG 4.46Å; I412-M422 HydrophobicContact CG2-SD 4.23Å; D413-M422 WeakPolarHBondContact O-CA 3.03Å; P414-M422 HydrophobicContact CB-CE 4.42Å; P414-M422 HydrophobicContact CB-CG 4.43Å
423M81.7Confident72.1Confident85 Ų8589.2 Ų89.242%0.41948%0.483SS..EExtended strand (participates in β ladder)trans-89.7129177.7-68.6-160.4-3800110.4I412 D413 A416I412-M423 WeakPolarHBondContact CA-O 3.33Å; D413-M423 PolarHBondContact N-O 3.34Å; D413-M423 PolarHBondContact O-N 2.71Å; A416-M423 HydrophobicContact CB-CB 4.31Å; A416-M423 HydrophobicContact CB-CE 3.33Å; A416-M423 HydrophobicContact CB-CG 3.71Å; A416-M423 HydrophobicContact CB-SD 3.69Å
424V86.8Confident72.3Confident21 Ų2192.9 Ų92.913%0.12751%0.506CS..EExtended strand (participates in β ladder)trans-95.9126.3174.1-178.70000108.8Q130 L131 H134 I393 I412 L426Q130-V424 HydrophobicContact CB-CG2 4.41Å; L131-V424 HydrophobicContact CD1-CG1 4.04Å; H134-V424 HydrophobicContact CB-CB 4.12Å; H134-V424 HydrophobicContact CB-CG1 4.26Å; H134-V424 HydrophobicContact CB-CG2 4.05Å; I393-V424 HydrophobicContact CD1-CG1 3.8Å; I412-V424 HydrophobicContact CD1-CG2 4.3Å; I412-V424 HydrophobicContact CG1-CG2 4.15Å; V424-L426 HydrophobicContact CG1-CD2 4.44Å
425Q86.6Confident73.1Confident97 Ų9791 Ų9145%0.45349%0.494SS..EExtended strand (participates in β ladder)trans-122.8117.7177.5-65.8-179.8-7.900109.2G410 L411G410-Q425 CarbonylContact C-O 3.52Å; G410-Q425 WeakPolarHBondContact CA-O 3.37Å; L411-Q425 PolarHBondContact N-O 2.67Å; L411-Q425 PolarHBondContact O-N 3.28Å
426L88.1Confident74.4Confident51 Ų5188.2 Ų88.227%0.26749%0.486SS..EExtended strand (participates in β ladder)trans-98.5146.6175.9-61.1174.7000109.9H134 F135 I393 V424H134-L426 WeakPolarHBondContact NE2-CD1 3.42Å; F135-L426 HydrophobicContact CE1-CD1 3.68Å; F135-L426 HydrophobicContact CZ-CD1 4.14Å; F135-L426 HydrophobicContact CZ-CD2 4.41Å; I393-L426 HydrophobicContact CD1-CD2 4.13Å; V424-L426 HydrophobicContact CG1-CD2 4.44Å
427K84.4Confident76.4Confident144 Ų14488.4 Ų88.463%0.62649%0.485SS*.SBendtrans-74.9-29.8177.1-67.9178.3-175.1166.10112.3C408 V409C408-K427 PolarHBondContact O-NZ 2.77Å; C408-K427 VanDerWaalsContact O-NZ 3.08Å; C408-K427 PolarHBondContact SG-NZ 3.04Å; V409-K427 PolarHBondContact O-N 3.45Å
428E78.7Confident78.9Confident151 Ų15184 Ų8471%0.70645%0.454SS*.SBendtrans-144.8163.4-176.6-64.2-178.5174.900110.3L430E428-L430 VanDerWaalsContact O-CD1 3.22Å; E428-L430 WeakPolarHBondContact O-CD1 3.25Å; E428-L430 PolarHBondContact O-N 3.38Å
429D73.3Confident81.2Confident173 Ų17385.5 Ų85.593%0.92545%0.447SS*.  trans-73.494.4172-74.4-32000109.9
430L81.3Confident83.4Confident34 Ų3486.1 Ų86.118%0.17844%0.443CS..  trans-74.1127.6177.1-86.777.7000111.2F249 Q395 V409 E428 V432F249-L430 HydrophobicContact CE1-CD2 3.82Å; F249-L430 HydrophobicContact CZ-CD2 4.06Å; Q395-L430 VanDerWaalsContact OE1-CD2 3.26Å; V409-L430 HydrophobicContact CB-CD1 4Å; V409-L430 HydrophobicContact CB-CD2 3.88Å; V409-L430 HydrophobicContact CG1-CD1 4.36Å; V409-L430 HydrophobicContact CG1-CD2 3.94Å; V409-L430 HydrophobicContact CG2-CD2 3.98Å; E428-L430 VanDerWaalsContact O-CD1 3.22Å; E428-L430 WeakPolarHBondContact O-CD1 3.25Å; E428-L430 PolarHBondContact O-N 3.38Å; L430-V432 HydrophobicContact CB-CG1 4.37Å; L430-V432 PolarHBondContact O-N 2.69Å
431Q78.4Confident85.3Confident194 Ų19478.9 Ų78.991%0.90740%0.404SS*.  trans-75.3110.1164.9-71.6-170.4-600110
432V85Confident86.8Confident38 Ų3875.4 Ų75.423%0.2339%0.393CS..  trans-110.5145.6175.4-66.40000110.8F135 W137 F249 L430F135-V432 HydrophobicContact CB-CG2 4.27Å; F135-V432 HydrophobicContact CD1-CB 4.5Å; F135-V432 HydrophobicContact CD1-CG1 4.02Å; F135-V432 HydrophobicContact CD1-CG2 3.79Å; F135-V432 HydrophobicContact CE1-CG1 3.82Å; F135-V432 HydrophobicContact CE1-CG2 4.37Å; F135-V432 HydrophobicContact CE2-CG1 4.46Å; F135-V432 HydrophobicContact CG-CG1 4.45Å; F135-V432 HydrophobicContact CG-CG2 4.15Å; F135-V432 HydrophobicContact CZ-CG1 4.06Å; W137-V432 HydrophobicContact CZ2-CB 3.93Å; W137-V432 HydrophobicContact CZ2-CG1 4.34Å; W137-V432 HydrophobicContact CZ2-CG2 4.28Å; F249-V432 HydrophobicContact CE2-CG1 4.05Å; F249-V432 HydrophobicContact CZ-CG1 3.69Å; L430-V432 HydrophobicContact CB-CG1 4.37Å; L430-V432 PolarHBondContact O-N 2.69Å
433P86.2Confident87.5Confident43 Ų4376.7 Ų76.728%0.27940%0.403SS..  trans-66.9143.9177.726.6-31.7000110.5W137 V223W137-P433 PolarHBondContact NE1-O 3.01Å; V223-P433 HydrophobicContact CB-CG 4.39Å; V223-P433 HydrophobicContact CG2-CG 3.32Å
434T89.4Confident88Confident99 Ų9972.7 Ų72.761%0.60738%0.383SS*.  trans-74140.2172.3530000110.4
435S93.7Very high88.4Confident3 Ų375.2 Ų75.22%0.02139%0.393CS..  trans-131.996.9174.1-1630000108.5S138 W139 R196 V197S138-S435 PolarHBondContact N-O 3.45Å; S138-S435 VanDerWaalsContact N-O 3.15Å; W139-S435 PolarHBondContact N-O 2.85Å; W139-S435 WeakPolarHBondContact O-CB 3.49Å; W139-S435 PolarHBondContact O-OG 2.8Å; R196-S435 PolarHBondContact N-OG 3.32Å; V197-S435 PolarHBondContact N-OG 3.28Å
436V93.3Very high88.8Confident64 Ų6471.3 Ų71.339%0.38838%0.376SS..  trans-133148.1-177.3-58.40000109.2
437C93.4Very high89.1Confident30 Ų3070.5 Ų70.520%0.20337%0.371CS..SBendtrans-77.5-42.8175.7-174.50000111.6W139 C457W139-C437 HydrophobicContact CB-CB 4.41Å; W139-C437 HydrophobicContact CD2-CB 3.67Å; W139-C437 HydrophobicContact CE3-CB 3.91Å; W139-C437 HydrophobicContact CG-CB 3.92Å; W139-C437 HydrophobicContact CZ2-CB 4.33Å; W139-C437 HydrophobicContact CZ3-CB 4.37Å; C437-C457 HydrophobicContact CB-CB 4.05Å; C437-C457 WeakPolarHBondContact CB-SG 3.18Å; C437-C457 WeakPolarHBondContact SG-CB 3.49Å; C437-C457 CovalentContact SG-SG 2.03Å; C437-C457 PolarHBondContact SG-SG 2.81Å
438S93.1Very high89.5Confident12 Ų1266.6 Ų66.68%0.08436%0.359CS..SBendtrans-128.3141177.3-68.10000109.8F458S438-F458 WeakPolarHBondContact CB-O 3.37Å; S438-F458 PolarHBondContact OG-N 3Å; S438-F458 PolarHBondContact OG-O 3.2Å
439E91.1Very high90.1Very high164 Ų16464.5 Ų64.577%0.76636%0.358SS*.PPolyproline II helixtrans-68.2152.1173.3-63.3-171.1165.500111.1C441 F458E439-C441 PolarHBondContact O-N 3.2Å; E439-F458 WeakPolarHBondContact O-CE2 3.44Å
440S91.2Very high91Very high68 Ų6861.2 Ų61.248%0.47633%0.333SS..PPolyproline II helixtrans-60.4131.5177.3-78.10000112.1D473S440-D473 VanDerWaalsContact CA-OD1 3.25Å; S440-D473 WeakPolarHBondContact CA-OD1 3.4Å; S440-D473 WeakPolarHBondContact CB-OD2 3.39Å; S440-D473 PolarHBondContact OG-OD2 3.37Å
441C93Very high91.4Very high1 Ų168.5 Ų68.51%0.00737%0.371CS..PPolyproline II helixtrans-71.3132.6175.1-59.40000110.9E439 F445 C460 R472 D473E439-C441 PolarHBondContact O-N 3.2Å; C441-F445 HydrophobicContact CB-CB 4.25Å; C441-C460 WeakPolarHBondContact CA-SG 3.43Å; C441-C460 HydrophobicContact CB-CB 3.87Å; C441-C460 WeakPolarHBondContact CB-SG 3.35Å; C441-C460 WeakPolarHBondContact SG-CA 3.38Å; C441-C460 WeakPolarHBondContact SG-CB 3.21Å; C441-C460 CovalentContact SG-SG 2.04Å; C441-C460 PolarHBondContact SG-SG 3.33Å; C441-R472 VanDerWaalsContact O-CA 3.22Å; C441-R472 WeakPolarHBondContact O-CA 3.47Å; C441-R472 WeakPolarHBondContact O-CB 3.3Å; C441-D473 PolarHBondContact N-OD1 3.37Å; C441-D473 PolarHBondContact O-N 2.99Å; C441-D473 VanDerWaalsContact O-N 3.12Å
442L94.4Very high91.7Very high93 Ų9363.4 Ų63.449%0.48737%0.37SS..PPolyproline II helixtrans-70.7157.6174.4-65.3171.8000111.2F445 R472L442-F445 HydrophobicContact CB-CD2 4.44Å; L442-F445 WeakPolarHBondContact O-CB 3.49Å; L442-F445 PolarHBondContact O-N 2.82Å; L442-F445 VanDerWaalsContact O-N 3.13Å; L442-R472 VanDerWaalsContact CD2-NH1 3.32Å
443P94.2Very high92Very high46 Ų4663.5 Ų63.530%0.29938%0.375SS..THydrogen-bonded Turntrans-50.8142.5167.2-24.935.6000111A469 R472 D491P443-A469 CarbonylContact C-O 3.42Å; P443-A469 WeakPolarHBondContact CA-O 3.38Å; P443-R472 HydrophobicContact CG-CG 4.38Å; P443-D491 HydrophobicContact CB-CB 3.83Å
444G92.6Very high92.2Very high1 Ų164 Ų641%0.0138%0.379CS..THydrogen-bonded Turntrans92-11.3-170.500000115.2C463 A469 T489 R490G444-C463 PolarHBondContact O-N 3.08Å; G444-A469 PolarHBondContact N-O 3.32Å; G444-T489 WeakPolarHBondContact CA-O 3.48Å; G444-R490 WeakPolarHBondContact CA-O 3.36Å
445F95Very high92.2Very high74 Ų7465.1 Ų65.133%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-119.2147.3178.5-63.1-105.6000111C441 L442 C460 S461 P462C441-F445 HydrophobicContact CB-CB 4.25Å; L442-F445 HydrophobicContact CB-CD2 4.44Å; L442-F445 WeakPolarHBondContact O-CB 3.49Å; L442-F445 PolarHBondContact O-N 2.82Å; L442-F445 VanDerWaalsContact O-N 3.13Å; F445-C460 HydrophobicContact CB-CB 4.21Å; F445-C460 HydrophobicContact CD1-CB 4.3Å; F445-S461 CarbonylContact C-O 3.56Å; F445-S461 VanDerWaalsContact CA-O 3.23Å; F445-S461 WeakPolarHBondContact CA-O 3.18Å; F445-S461 VanDerWaalsContact CD1-C 3.48Å; F445-P462 HydrophobicContact CD1-CB 4.13Å; F445-P462 HydrophobicContact CE1-CB 3.91Å; F445-P462 HydrophobicContact CE1-CG 4.39Å; F445-P462 HydrophobicContact CZ-CB 4.44Å
446S94.7Very high92.1Very high14 Ų1465.5 Ų65.510%0.09838%0.379CS..EExtended strand (participates in β ladder)trans-110.8151.6169.358.60000111.6S461 M474 C477S446-S461 PolarHBondContact N-O 3.16Å; S446-S461 PolarHBondContact O-N 3.4Å; S446-S461 PolarHBondContact O-OG 3.25Å; S446-S461 PolarHBondContact OG-OG 3.24Å; S446-M474 CarbonylContact C-O 3.5Å; S446-M474 VanDerWaalsContact CA-O 3.24Å; S446-M474 WeakPolarHBondContact CA-O 3.28Å; S446-C477 VanDerWaalsContact CB-SG 3.56Å
447Q94.3Very high92.1Very high35 Ų3562.7 Ų62.716%0.16436%0.362CS..EExtended strand (participates in β ladder)trans-71.6130.9172.5-62.2-176.8-18.800111F458 D473 M474Q447-F458 HydrophobicContact CB-CB 4.21Å; Q447-F458 HydrophobicContact CB-CD2 3.96Å; Q447-F458 HydrophobicContact CB-CG 4.03Å; Q447-F458 HydrophobicContact CG-CD1 4.47Å; Q447-F458 HydrophobicContact CG-CD2 3.63Å; Q447-F458 HydrophobicContact CG-CE2 3.76Å; Q447-F458 HydrophobicContact CG-CG 4.02Å; Q447-F458 HydrophobicContact CG-CZ 4.25Å; Q447-D473 VanDerWaalsContact NE2-CG 3.3Å; Q447-D473 PolarHBondContact NE2-OD1 2.92Å; Q447-M474 PolarHBondContact N-O 3.5Å
448V92.8Very high92.1Very high62 Ų6262.3 Ų62.338%0.37636%0.357SS..EExtended strand (participates in β ladder)trans-114.8112.4172.9-177.50000108.1R450 F458 D459 S461V448-R450 PolarHBondContact O-N 2.87Å; V448-F458 CarbonylContact O-C 3.39Å; V448-F458 VanDerWaalsContact O-CA 3.25Å; V448-F458 WeakPolarHBondContact O-CA 3.46Å; V448-F458 WeakPolarHBondContact O-CB 3.46Å; V448-D459 PolarHBondContact N-O 3.38Å; V448-D459 PolarHBondContact O-N 3.27Å; V448-S461 WeakPolarHBondContact CG2-OG 2.94Å
449P91.9Very high92.2Very high106 Ų10665.3 Ų65.369%0.68837%0.372SS*.EExtended strand (participates in β ladder)trans-58.8134.5178.5-23.633.3000111.7
450R91.6Very high92.3Very high104 Ų10460.1 Ų60.139%0.39235%0.354SS..PPolyproline II helixtrans-75.8130.4172.7-71.6-178.6-175.6160.27110V448 G452 A453 C457 D459V448-R450 PolarHBondContact O-N 2.87Å; R450-G452 PolarHBondContact O-N 2.66Å; R450-A453 HydrophobicContact CB-CB 3.71Å; R450-A453 PolarHBondContact O-N 3.05Å; R450-A453 VanDerWaalsContact O-N 3.11Å; R450-C457 PolarHBondContact N-O 3.11Å; R450-D459 WeakPolarHBondContact CG-OD2 3.37Å; R450-D459 IonicContact CZ-OD1 3.16Å; R450-D459 IonicContact NE-OD1 3.48Å; R450-D459 PolarHBondContact NE-OD1 3.47Å; R450-D459 IonicContact NE-OD2 3.07Å; R450-D459 PolarHBondContact NE-OD2 3.34Å; R450-D459 IonicContact NH2-OD1 3.69Å; R450-D459 PolarHBondContact NH2-OD1 3.15Å
451L89.9Confident92.5Very high187 Ų18758.7 Ų58.798%0.97934%0.344SS*.THydrogen-bonded Turntrans-61.4124.4-178.1-168.773.8000110.7A453L451-A453 VanDerWaalsContact C-N 3.26Å; L451-A453 PolarHBondContact O-N 3.32Å
452G86.1Confident92.5Very high87 Ų8762.1 Ų62.190%0.89737%0.366SS*.THydrogen-bonded Turntrans79.6-3-179.600000115.4R450R450-G452 PolarHBondContact O-N 2.66Å
453A89.4Confident92.5Very high41 Ų4157.7 Ų57.734%0.33934%0.343SS..SBendtrans-93.8157.9175.500000111.5R450 L451 C457R450-A453 HydrophobicContact CB-CB 3.71Å; R450-A453 PolarHBondContact O-N 3.05Å; R450-A453 VanDerWaalsContact O-N 3.11Å; L451-A453 VanDerWaalsContact C-N 3.26Å; L451-A453 PolarHBondContact O-N 3.32Å; A453-C457 HydrophobicContact CB-CB 3.78Å
454P90.6Very high92.3Very high54 Ų5458.7 Ų58.735%0.35135%0.349SS..  trans-69.8163.6175.429.5-34.2000111.9W139 C167 C456 C457W139-P454 HydrophobicContact CH2-CG 3.87Å; W139-P454 HydrophobicContact CZ3-CG 3.6Å; C167-P454 HydrophobicContact CB-CB 4.15Å; C167-P454 HydrophobicContact CB-CG 4.21Å; P454-C456 PolarHBondContact O-N 3.36Å; P454-C457 WeakPolarHBondContact O-CB 3.41Å; P454-C457 PolarHBondContact O-N 3.06Å
455H89.6Confident92Very high122 Ų12266.7 Ų66.757%0.56539%0.386SS*.THydrogen-bonded Turntrans-59.9-22.2-171.671.5-85.5000115.5C167 C457C167-H455 PolarHBondContact SG-CE1 2.9Å; C167-H455 PolarHBondContact SG-ND1 3.16Å; C167-H455 VanDerWaalsContact SG-ND1 3.44Å; H455-C457 PolarHBondContact O-N 2.88Å
456C92Very high91.5Very high10 Ų1064.8 Ų64.87%0.06839%0.387CS..THydrogen-bonded Turntrans-74.3-12.5175.5-48.30000113.3G165 C167 P454 F458G165-C456 PolarHBondContact O-SG 3.37Å; G165-C456 VanDerWaalsContact O-SG 3.42Å; C167-C456 HydrophobicContact CB-CB 3.7Å; C167-C456 WeakPolarHBondContact CB-SG 3.49Å; C167-C456 PolarHBondContact N-SG 3.28Å; C167-C456 VanDerWaalsContact N-SG 3.42Å; C167-C456 WeakPolarHBondContact SG-CB 2.78Å; C167-C456 PolarHBondContact SG-N 2.91Å; C167-C456 CovalentContact SG-SG 2.04Å; C167-C456 PolarHBondContact SG-SG 3.23Å; P454-C456 PolarHBondContact O-N 3.36Å; C456-F458 WeakPolarHBondContact O-CE1 3.39Å
457C93.6Very high91.3Very high6 Ų666.9 Ų66.94%0.04140%0.396CS..  trans-106.6105.3-177.8-58.90000110.3C437 R450 A453 P454 H455C437-C457 HydrophobicContact CB-CB 4.05Å; C437-C457 WeakPolarHBondContact CB-SG 3.18Å; C437-C457 WeakPolarHBondContact SG-CB 3.49Å; C437-C457 CovalentContact SG-SG 2.03Å; C437-C457 PolarHBondContact SG-SG 2.81Å; R450-C457 PolarHBondContact N-O 3.11Å; A453-C457 HydrophobicContact CB-CB 3.78Å; P454-C457 WeakPolarHBondContact O-CB 3.41Å; P454-C457 PolarHBondContact O-N 3.06Å; H455-C457 PolarHBondContact O-N 2.88Å
458F93.5Very high91.3Very high21 Ų2166.7 Ų66.79%0.09239%0.394CS..EExtended strand (participates in β ladder)trans-139.9163.2-178.352.2-96.4000111.4S438 E439 Q447 V448 C456S438-F458 WeakPolarHBondContact CB-O 3.37Å; S438-F458 PolarHBondContact OG-N 3Å; S438-F458 PolarHBondContact OG-O 3.2Å; E439-F458 WeakPolarHBondContact O-CE2 3.44Å; Q447-F458 HydrophobicContact CB-CB 4.21Å; Q447-F458 HydrophobicContact CB-CD2 3.96Å; Q447-F458 HydrophobicContact CB-CG 4.03Å; Q447-F458 HydrophobicContact CG-CD1 4.47Å; Q447-F458 HydrophobicContact CG-CD2 3.63Å; Q447-F458 HydrophobicContact CG-CE2 3.76Å; Q447-F458 HydrophobicContact CG-CG 4.02Å; Q447-F458 HydrophobicContact CG-CZ 4.25Å; V448-F458 CarbonylContact O-C 3.39Å; V448-F458 VanDerWaalsContact O-CA 3.25Å; V448-F458 WeakPolarHBondContact O-CA 3.46Å; V448-F458 WeakPolarHBondContact O-CB 3.46Å; C456-F458 WeakPolarHBondContact O-CE1 3.39Å
459D94.1Very high91.4Very high75 Ų7563.7 Ų63.740%0.40138%0.376SS..EExtended strand (participates in β ladder)trans-106.7149.9169.8-63.7-45.3000110.1V448 R450V448-D459 PolarHBondContact N-O 3.38Å; V448-D459 PolarHBondContact O-N 3.27Å; R450-D459 WeakPolarHBondContact CG-OD2 3.37Å; R450-D459 IonicContact CZ-OD1 3.16Å; R450-D459 IonicContact NE-OD1 3.48Å; R450-D459 PolarHBondContact NE-OD1 3.47Å; R450-D459 IonicContact NE-OD2 3.07Å; R450-D459 PolarHBondContact NE-OD2 3.34Å; R450-D459 IonicContact NH2-OD1 3.69Å; R450-D459 PolarHBondContact NH2-OD1 3.15Å
460C94.8Very high91.4Very high56 Ų5662.6 Ų62.638%0.37837%0.365SS..EExtended strand (participates in β ladder)trans-93.7113.7176.5-59.10000109.8C441 F445C441-C460 WeakPolarHBondContact CA-SG 3.43Å; C441-C460 HydrophobicContact CB-CB 3.87Å; C441-C460 WeakPolarHBondContact CB-SG 3.35Å; C441-C460 WeakPolarHBondContact SG-CA 3.38Å; C441-C460 WeakPolarHBondContact SG-CB 3.21Å; C441-C460 CovalentContact SG-SG 2.04Å; C441-C460 PolarHBondContact SG-SG 3.33Å; F445-C460 HydrophobicContact CB-CB 4.21Å; F445-C460 HydrophobicContact CD1-CB 4.3Å
461S93.6Very high91.4Very high37 Ų3763.8 Ų63.826%0.25938%0.375SS..EExtended strand (participates in β ladder)trans-107.8138176.468.40000111.2F445 S446 V448F445-S461 CarbonylContact C-O 3.56Å; F445-S461 VanDerWaalsContact CA-O 3.23Å; F445-S461 WeakPolarHBondContact CA-O 3.18Å; F445-S461 VanDerWaalsContact CD1-C 3.48Å; S446-S461 PolarHBondContact N-O 3.16Å; S446-S461 PolarHBondContact O-N 3.4Å; S446-S461 PolarHBondContact O-OG 3.25Å; S446-S461 PolarHBondContact OG-OG 3.24Å; V448-S461 WeakPolarHBondContact CG2-OG 2.94Å
462P94.6Very high91.5Very high73 Ų7362 Ų6247%0.47436%0.355SS..EExtended strand (participates in β ladder)trans-64.5141.4176.727.7-34.3000110.9F445F445-P462 HydrophobicContact CD1-CB 4.13Å; F445-P462 HydrophobicContact CE1-CB 3.91Å; F445-P462 HydrophobicContact CE1-CG 4.39Å; F445-P462 HydrophobicContact CZ-CB 4.44Å
463C93.3Very high91.7Very high0 Ų060.2 Ų60.20%033%0.325CS..PPolyproline II helixtrans-59.2145.4-179.9-75.10000112.5G444 A469 C477 R490G444-C463 PolarHBondContact O-N 3.08Å; C463-A469 VanDerWaalsContact SG-CB 3.5Å; C463-C477 WeakPolarHBondContact CA-SG 3.21Å; C463-C477 HydrophobicContact CB-CB 3.69Å; C463-C477 WeakPolarHBondContact CB-SG 3.33Å; C463-C477 WeakPolarHBondContact SG-CB 3.47Å; C463-C477 CovalentContact SG-SG 2.03Å; C463-C477 PolarHBondContact SG-SG 3.09Å; C463-R490 HydrophobicContact CB-CB 4.13Å; C463-R490 WeakPolarHBondContact O-CD 3.48Å; C463-R490 PolarHBondContact O-NE 3.31Å; C463-R490 PolarHBondContact O-NH1 2.84Å
464P91.1Very high91.8Very high67 Ų6759.7 Ų59.744%0.43532%0.316SS..PPolyproline II helixtrans-62.3163.3175.3-2334000113.6G466 Q467P464-G466 PolarHBondContact O-N 3.43Å; P464-Q467 WeakPolarHBondContact O-CB 3.06Å; P464-Q467 PolarHBondContact O-N 3.02Å; P464-Q467 VanDerWaalsContact O-N 3.08Å
465E85.6Confident91.8Very high169 Ų16965.6 Ų65.679%0.7934%0.336SS*.THydrogen-bonded Turntrans-57.9137.9175.3-68.5-169.7170.900112.2Q467E465-Q467 PolarHBondContact O-N 3.29Å
466G83.6Confident91.9Very high34 Ų3468.7 Ų68.735%0.35134%0.343SS..THydrogen-bonded Turntrans77.5-1.9-17600000114.8P464 C480P464-G466 PolarHBondContact O-N 3.43Å; G466-C480 PolarHBondContact O-N 3.33Å
467Q92.2Very high92Very high59 Ų5968.9 Ų68.928%0.27634%0.344SS..EExtended strand (participates in β ladder)trans-113.7157.8174.5-58.1-177.324.400111.5P464 E465 C477 L478 L479 S486P464-Q467 WeakPolarHBondContact O-CB 3.06Å; P464-Q467 PolarHBondContact O-N 3.02Å; P464-Q467 VanDerWaalsContact O-N 3.08Å; E465-Q467 PolarHBondContact O-N 3.29Å; Q467-C477 HydrophobicContact CB-CB 3.81Å; Q467-L478 CarbonylContact C-O 3.57Å; Q467-L478 WeakPolarHBondContact CA-O 3.41Å; Q467-L478 VanDerWaalsContact CB-O 3.31Å; Q467-L478 WeakPolarHBondContact CB-O 3.45Å; Q467-L479 HydrophobicContact CG-CD1 3.92Å; Q467-S486 PolarHBondContact O-OG 3.33Å
468F92.8Very high91.9Very high30 Ų3072 Ų7213%0.13236%0.36CS..EExtended strand (participates in β ladder)trans-139.6161-179.877.9-73.7000112.3D470 C477 L478 R490 C493F468-D470 HydrophobicContact CD2-CB 4.05Å; F468-D470 HydrophobicContact CE2-CB 3.89Å; F468-C477 WeakPolarHBondContact O-CA 3.42Å; F468-L478 HydrophobicContact CD1-CB 4.18Å; F468-L478 VanDerWaalsContact CD1-O 3.23Å; F468-L478 WeakPolarHBondContact CD1-O 3.35Å; F468-L478 HydrophobicContact CE1-CB 3.73Å; F468-L478 HydrophobicContact CZ-CB 4.18Å; F468-L478 HydrophobicContact CZ-CD1 4.38Å; F468-L478 PolarHBondContact N-O 3.12Å; F468-L478 PolarHBondContact O-N 3.44Å; F468-R490 CarbonylContact C-O 3.43Å; F468-R490 WeakPolarHBondContact CA-O 3.38Å; F468-R490 VanDerWaalsContact CB-O 3.3Å; F468-R490 WeakPolarHBondContact CB-O 3.4Å; F468-C493 WeakPolarHBondContact CD1-SG 3.41Å; F468-C493 VanDerWaalsContact CE1-SG 3.55Å
469A95.3Very high91.9Very high0 Ų077.2 Ų77.20%039%0.388CS..  trans-135.7108.3167.600000109.2P443 G444 C463 M474 R490 D491P443-A469 CarbonylContact C-O 3.42Å; P443-A469 WeakPolarHBondContact CA-O 3.38Å; G444-A469 PolarHBondContact N-O 3.32Å; C463-A469 VanDerWaalsContact SG-CB 3.5Å; A469-M474 VanDerWaalsContact CA-SD 3.59Å; A469-M474 HydrophobicContact CB-CB 4.16Å; A469-M474 HydrophobicContact CB-CG 4.34Å; A469-M474 HydrophobicContact CB-SD 3.72Å; A469-R490 PolarHBondContact N-O 3.17Å; A469-D491 WeakPolarHBondContact O-CA 3.46Å
470D92.4Very high91.6Very high82 Ų8274.3 Ų74.344%0.43937%0.374SS..  trans-87-19.9-175.560.4-19.9000113.6F468 D491F468-D470 HydrophobicContact CD2-CB 4.05Å; F468-D470 HydrophobicContact CE2-CB 3.89Å; D470-D491 WeakPolarHBondContact CA-O 3.35Å; D470-D491 WeakPolarHBondContact CB-O 3.35Å
471Q91.6Very high91.2Very high129 Ų12975 Ų7560%0.60338%0.377SS*.SBendtrans-107.9154.5179.1-63.1179.97.900111.4M474Q471-M474 HydrophobicContact CB-CG 3.98Å; Q471-M474 HydrophobicContact CB-SD 4.32Å
472R92Very high90.2Very high150 Ų15082.1 Ų82.157%0.56640%0.404SS*.THydrogen-bonded Turntrans-63.6149.9168-70.9175.4-179.8-99.1-2109.7C441 L442 P443 M474C441-R472 VanDerWaalsContact O-CA 3.22Å; C441-R472 WeakPolarHBondContact O-CA 3.47Å; C441-R472 WeakPolarHBondContact O-CB 3.3Å; L442-R472 VanDerWaalsContact CD2-NH1 3.32Å; P443-R472 HydrophobicContact CG-CG 4.38Å; R472-M474 PolarHBondContact O-N 3.16Å; R472-M474 VanDerWaalsContact O-N 3.16Å
473D90Very high89.1Confident50 Ų5085.5 Ų85.527%0.26741%0.411SS..THydrogen-bonded Turntrans59.228.9170.3-68.1-41.8000115.1S440 C441 Q447 K475S440-D473 VanDerWaalsContact CA-OD1 3.25Å; S440-D473 WeakPolarHBondContact CA-OD1 3.4Å; S440-D473 WeakPolarHBondContact CB-OD2 3.39Å; S440-D473 PolarHBondContact OG-OD2 3.37Å; C441-D473 PolarHBondContact N-OD1 3.37Å; C441-D473 PolarHBondContact O-N 2.99Å; C441-D473 VanDerWaalsContact O-N 3.12Å; Q447-D473 VanDerWaalsContact NE2-CG 3.3Å; Q447-D473 PolarHBondContact NE2-OD1 2.92Å; D473-K475 PolarHBondContact O-N 3.19Å
474M91.3Very high88.5Confident30 Ų3089 Ų8915%0.14843%0.427CS..  trans-65127.4172-77.1-167.371.700111.2S446 Q447 A469 Q471 R472 R476 L478S446-M474 CarbonylContact C-O 3.5Å; S446-M474 VanDerWaalsContact CA-O 3.24Å; S446-M474 WeakPolarHBondContact CA-O 3.28Å; Q447-M474 PolarHBondContact N-O 3.5Å; A469-M474 VanDerWaalsContact CA-SD 3.59Å; A469-M474 HydrophobicContact CB-CB 4.16Å; A469-M474 HydrophobicContact CB-CG 4.34Å; A469-M474 HydrophobicContact CB-SD 3.72Å; Q471-M474 HydrophobicContact CB-CG 3.98Å; Q471-M474 HydrophobicContact CB-SD 4.32Å; R472-M474 PolarHBondContact O-N 3.16Å; R472-M474 VanDerWaalsContact O-N 3.16Å; M474-R476 VanDerWaalsContact CE-O 3.27Å; M474-R476 WeakPolarHBondContact CE-O 3.23Å; M474-R476 PolarHBondContact O-N 3.18Å; M474-L478 HydrophobicContact CE-CD1 3.74Å; M474-L478 HydrophobicContact CE-CD2 4.4Å; M474-L478 HydrophobicContact CE-CG 3.68Å
475K90.8Very high88.2Confident177 Ų17789.3 Ų89.377%0.7742%0.42SS*.SBendtrans-68.1-22.8177.1-63.8-175.2178.7-178.10113.8D473D473-K475 PolarHBondContact O-N 3.19Å
476R91.6Very high88.2Confident188 Ų18882 Ų8271%0.70939%0.388SS*.SBendtrans-153.6147.4179.964-179.6-179.7-179.5-0.7110M474M474-R476 VanDerWaalsContact CE-O 3.27Å; M474-R476 WeakPolarHBondContact CE-O 3.23Å; M474-R476 PolarHBondContact O-N 3.18Å
477C94Very high88.5Confident14 Ų1480.6 Ų80.610%0.09537%0.372CS..  trans-76.1153.4171.9-54.10000111.1S446 C463 Q467 F468S446-C477 VanDerWaalsContact CB-SG 3.56Å; C463-C477 WeakPolarHBondContact CA-SG 3.21Å; C463-C477 HydrophobicContact CB-CB 3.69Å; C463-C477 WeakPolarHBondContact CB-SG 3.33Å; C463-C477 WeakPolarHBondContact SG-CB 3.47Å; C463-C477 CovalentContact SG-SG 2.03Å; C463-C477 PolarHBondContact SG-SG 3.09Å; Q467-C477 HydrophobicContact CB-CB 3.81Å; F468-C477 WeakPolarHBondContact O-CA 3.42Å
478L92.9Very high88.1Confident70 Ų7086.8 Ų86.837%0.36640%0.401SS..EExtended strand (participates in β ladder)trans-108.1146.5179.3-60.6178.5000110.2Q467 F468 M474Q467-L478 CarbonylContact C-O 3.57Å; Q467-L478 WeakPolarHBondContact CA-O 3.41Å; Q467-L478 VanDerWaalsContact CB-O 3.31Å; Q467-L478 WeakPolarHBondContact CB-O 3.45Å; F468-L478 HydrophobicContact CD1-CB 4.18Å; F468-L478 VanDerWaalsContact CD1-O 3.23Å; F468-L478 WeakPolarHBondContact CD1-O 3.35Å; F468-L478 HydrophobicContact CE1-CB 3.73Å; F468-L478 HydrophobicContact CZ-CB 4.18Å; F468-L478 HydrophobicContact CZ-CD1 4.38Å; F468-L478 PolarHBondContact N-O 3.12Å; F468-L478 PolarHBondContact O-N 3.44Å; M474-L478 HydrophobicContact CE-CD1 3.74Å; M474-L478 HydrophobicContact CE-CD2 4.4Å; M474-L478 HydrophobicContact CE-CG 3.68Å
479L92.1Very high87.8Confident131 Ų13189.5 Ų89.569%0.68642%0.42SS*.EExtended strand (participates in β ladder)trans-76135.7177.6-163.877.7000110.9Q467Q467-L479 HydrophobicContact CG-CD1 3.92Å
480C87.3Confident87.5Confident15 Ų1592.9 Ų92.910%0.10143%0.433CS..PPolyproline II helixtrans-65.4145.9174-79.30000112G466 C493G466-C480 PolarHBondContact O-N 3.33Å; C480-C493 WeakPolarHBondContact CA-SG 3.47Å; C480-C493 HydrophobicContact CB-CB 3.99Å; C480-C493 WeakPolarHBondContact CB-SG 3.37Å; C480-C493 WeakPolarHBondContact SG-CB 3.44Å; C480-C493 CovalentContact SG-SG 2.05Å; C480-C493 PolarHBondContact SG-SG 3.4Å
481P87Confident87.4Confident70 Ų7091.1 Ų91.146%0.45542%0.424SS..PPolyproline II helixtrans-60.2152174.4-23.133.5000113.2K483 Q484P481-K483 PolarHBondContact O-N 3.19Å; P481-Q484 PolarHBondContact O-N 3.47Å
482K73.2Confident87.4Confident187 Ų18788.6 Ų88.681%0.81341%0.412SS*.THydrogen-bonded Turntrans-51.8-31-172.5-67.8-174.1178.3-177.10116.4
483K71.6Confident87.3Confident144 Ų14482.6 Ų82.663%0.62639%0.392SS*.THydrogen-bonded Turntrans-91.81.2-179.4-68-175.1178.9177.80113.7P481 R496P481-K483 PolarHBondContact O-N 3.19Å; K483-R496 PolarHBondContact O-N 3.45Å
484Q81.3Confident87Confident72 Ų7282.9 Ų82.934%0.33639%0.394SS..EExtended strand (participates in β ladder)trans-123.7166.9-176-62.3176.6-1.700109.4P481 C493 L494P481-Q484 PolarHBondContact O-N 3.47Å; Q484-C493 HydrophobicContact CB-CB 3.86Å; Q484-L494 CarbonylContact C-O 3.59Å; Q484-L494 WeakPolarHBondContact CA-O 3.49Å; Q484-L494 VanDerWaalsContact CB-O 3.25Å; Q484-L494 WeakPolarHBondContact CB-O 3.46Å
485Y82.8Confident86.5Confident75 Ų7585.9 Ų85.929%0.29442%0.415SS..EExtended strand (participates in β ladder)trans-137.2155.9173.970.5-79.1000109.1C493 L494 R496Y485-C493 CarbonylContact O-C 3.42Å; Y485-C493 VanDerWaalsContact O-CA 3.31Å; Y485-C493 WeakPolarHBondContact O-CA 3.42Å; Y485-L494 HydrophobicContact CD1-CB 4.17Å; Y485-L494 VanDerWaalsContact CD1-O 3.25Å; Y485-L494 WeakPolarHBondContact CD1-O 3.45Å; Y485-L494 HydrophobicContact CE1-CB 3.66Å; Y485-L494 HydrophobicContact CE2-CB 4.41Å; Y485-L494 HydrophobicContact CE2-CD1 4.3Å; Y485-L494 PolarHBondContact N-O 2.6Å; Y485-L494 PolarHBondContact O-N 2.99Å; Y485-R496 HydrophobicContact CD1-CG 3.91Å
486S87.1Confident85.7Confident16 Ų1680.1 Ų80.111%0.11239%0.389CS..EExtended strand (participates in β ladder)trans-63.1137.9179.2175.80000110.8Q467 R490Q467-S486 PolarHBondContact O-OG 3.33Å; S486-R490 WeakPolarHBondContact OG-CA 3.49Å
487S88.6Confident84.7Confident4 Ų475.1 Ų75.13%0.02838%0.379CS..  trans-57.5162.8166.572.10000110.8T489 R490 D491 H492S487-T489 VanDerWaalsContact C-N 3.26Å; S487-T489 PolarHBondContact O-N 3.13Å; S487-T489 PolarHBondContact OG-OG1 3.18Å; S487-R490 PolarHBondContact O-N 3.21Å; S487-R490 PolarHBondContact OG-N 3.06Å; S487-D491 PolarHBondContact OG-N 3.15Å; S487-D491 PolarHBondContact OG-OD1 2.85Å; S487-H492 WeakPolarHBondContact CB-NE2 3.29Å; S487-H492 WeakPolarHBondContact CB-O 3.43Å; S487-H492 PolarHBondContact N-O 3.44Å; S487-H492 PolarHBondContact OG-N 3.1Å; S487-H492 PolarHBondContact OG-O 2.88Å
488H85.5Confident83.7Confident189 Ų18977.9 Ų77.988%0.87539%0.391SS*.THydrogen-bonded Turntrans-62.6-36.1176.5-174.1-84.3000112.1R490H488-R490 VanDerWaalsContact C-N 3.27Å
489T85.9Confident82.8Confident87 Ų8776.3 Ų76.353%0.53438%0.382SS..THydrogen-bonded Turntrans-78.6-7.4174.537.20000113.5G444 S487 D491G444-T489 WeakPolarHBondContact CA-O 3.48Å; S487-T489 VanDerWaalsContact C-N 3.26Å; S487-T489 PolarHBondContact O-N 3.13Å; S487-T489 PolarHBondContact OG-OG1 3.18Å; T489-D491 WeakPolarHBondContact CB-OD1 3.24Å; T489-D491 PolarHBondContact O-N 2.82Å; T489-D491 PolarHBondContact OG1-OD1 2.84Å
490R88.8Confident82.3Confident70 Ų7073 Ų7326%0.26436%0.362SS..SBendtrans59.321.2178.1-48.4-172.8175.7161.6-4.6114.7G444 C463 F468 A469 S486 S487 H488G444-R490 WeakPolarHBondContact CA-O 3.36Å; C463-R490 HydrophobicContact CB-CB 4.13Å; C463-R490 WeakPolarHBondContact O-CD 3.48Å; C463-R490 PolarHBondContact O-NE 3.31Å; C463-R490 PolarHBondContact O-NH1 2.84Å; F468-R490 CarbonylContact C-O 3.43Å; F468-R490 WeakPolarHBondContact CA-O 3.38Å; F468-R490 VanDerWaalsContact CB-O 3.3Å; F468-R490 WeakPolarHBondContact CB-O 3.4Å; A469-R490 PolarHBondContact N-O 3.17Å; S486-R490 WeakPolarHBondContact OG-CA 3.49Å; S487-R490 PolarHBondContact O-N 3.21Å; S487-R490 PolarHBondContact OG-N 3.06Å; H488-R490 VanDerWaalsContact C-N 3.27Å
491D91Very high82Confident46 Ų4672.6 Ų72.625%0.24636%0.359CS..SBendtrans-94.1-19.5-179.463-36.3000112.9P443 A469 D470 S487 T489P443-D491 HydrophobicContact CB-CB 3.83Å; A469-D491 WeakPolarHBondContact O-CA 3.46Å; D470-D491 WeakPolarHBondContact CA-O 3.35Å; D470-D491 WeakPolarHBondContact CB-O 3.35Å; S487-D491 PolarHBondContact OG-N 3.15Å; S487-D491 PolarHBondContact OG-OD1 2.85Å; T489-D491 WeakPolarHBondContact CB-OD1 3.24Å; T489-D491 PolarHBondContact O-N 2.82Å; T489-D491 PolarHBondContact OG1-OD1 2.84Å
492H90.5Very high81.9Confident76 Ų7670.2 Ų70.235%0.35235%0.345SS..SBendtrans-153171.2178.859.9-88000111.6S487 L494S487-H492 WeakPolarHBondContact CB-NE2 3.29Å; S487-H492 WeakPolarHBondContact CB-O 3.43Å; S487-H492 PolarHBondContact N-O 3.44Å; S487-H492 PolarHBondContact OG-N 3.1Å; S487-H492 PolarHBondContact OG-O 2.88Å; H492-L494 WeakPolarHBondContact NE2-CD2 3.44Å
493C89.6Confident82.4Confident24 Ų2465.9 Ų65.916%0.16233%0.327CS..EExtended strand (participates in β ladder)trans-106133.8176.5-57.20000111F468 C480 Q484 Y485F468-C493 WeakPolarHBondContact CD1-SG 3.41Å; F468-C493 VanDerWaalsContact CE1-SG 3.55Å; C480-C493 WeakPolarHBondContact CA-SG 3.47Å; C480-C493 HydrophobicContact CB-CB 3.99Å; C480-C493 WeakPolarHBondContact CB-SG 3.37Å; C480-C493 WeakPolarHBondContact SG-CB 3.44Å; C480-C493 CovalentContact SG-SG 2.05Å; C480-C493 PolarHBondContact SG-SG 3.4Å; Q484-C493 HydrophobicContact CB-CB 3.86Å; Y485-C493 CarbonylContact O-C 3.42Å; Y485-C493 VanDerWaalsContact O-CA 3.31Å; Y485-C493 WeakPolarHBondContact O-CA 3.42Å
494L83.9Confident82.9Confident56 Ų5668.1 Ų68.129%0.29334%0.34SS..EExtended strand (participates in β ladder)trans-104.9144.4179.9-66.9172.8000111Q484 Y485 H492Q484-L494 CarbonylContact C-O 3.59Å; Q484-L494 WeakPolarHBondContact CA-O 3.49Å; Q484-L494 VanDerWaalsContact CB-O 3.25Å; Q484-L494 WeakPolarHBondContact CB-O 3.46Å; Y485-L494 HydrophobicContact CD1-CB 4.17Å; Y485-L494 VanDerWaalsContact CD1-O 3.25Å; Y485-L494 WeakPolarHBondContact CD1-O 3.45Å; Y485-L494 HydrophobicContact CE1-CB 3.66Å; Y485-L494 HydrophobicContact CE2-CB 4.41Å; Y485-L494 HydrophobicContact CE2-CD1 4.3Å; Y485-L494 PolarHBondContact N-O 2.6Å; Y485-L494 PolarHBondContact O-N 2.99Å; H492-L494 WeakPolarHBondContact NE2-CD2 3.44Å
495P80.1Confident83Confident93 Ų9366.3 Ų66.360%0.60433%0.331SS*.EExtended strand (participates in β ladder)trans-70.2139.3178.229.6-33.9000111.6
496R75.3Confident83.4Confident55 Ų5567.7 Ų67.721%0.20835%0.349CS..PPolyproline II helixtrans-75.4141.7171.1-61.6-177.6-173.7-164.50.3110.6K483 Y485 M649 I656K483-R496 PolarHBondContact O-N 3.45Å; Y485-R496 HydrophobicContact CD1-CG 3.91Å; R496-M649 PolarHBondContact NH1-O 3Å; R496-I656 HydrophobicContact CB-CD1 3.9Å; R496-I656 HydrophobicContact CB-CG1 3.74Å
497T70Confident83.5Confident83 Ų8371 Ų7151%0.50937%0.365SS..EExtended strand (participates in β ladder)trans-92.6144.7176.451.50000111.8H655 I656T497-H655 WeakPolarHBondContact O-CA 3.43Å; T497-H655 PolarHBondContact OG1-ND1 2.72Å; T497-I656 PolarHBondContact O-N 2.75Å
498E74Confident83.6Confident72 Ų7270.9 Ų70.934%0.33636%0.364SS..EExtended strand (participates in β ladder)trans-80.5128178-59.2-172.5151.800109.9K566 K647 I656 I658E498-K566 IonicContact OE2-NZ 2.66Å; E498-K566 PolarHBondContact OE2-NZ 3.4Å; E498-K647 IonicContact OE1-NZ 3.04Å; E498-K647 PolarHBondContact OE1-NZ 3.31Å; E498-I656 CarbonylContact C-O 3.27Å; E498-I656 WeakPolarHBondContact CA-O 3.38Å; E498-I658 HydrophobicContact CB-CD1 3.82Å; E498-I658 HydrophobicContact CB-CG1 4.3Å; E498-I658 VanDerWaalsContact CD-CD1 3.48Å; E498-I658 HydrophobicContact CG-CD1 3.98Å; E498-I658 VanDerWaalsContact OE2-CD1 3.32Å; E498-I658 WeakPolarHBondContact OE2-CD1 3.28Å
499I73.6Confident83.8Confident37 Ų3768 Ų6819%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-116.9135.5176.458.1174.6000111.2E652 H655 I656 V657 I658I499-E652 WeakPolarHBondContact CD1-OE2 3.27Å; I499-H655 HydrophobicContact CD1-CB 3.44Å; I499-H655 VanDerWaalsContact CD1-CB 3.44Å; I499-H655 HydrophobicContact CG1-CB 3.78Å; I499-H655 HydrophobicContact CG2-CB 4.06Å; I499-I656 PolarHBondContact N-O 3.12Å; I499-V657 HydrophobicContact CD1-CG2 3.7Å; I499-V657 HydrophobicContact CG1-CB 4.43Å; I499-V657 HydrophobicContact CG1-CG2 3.87Å; I499-I658 PolarHBondContact O-N 3.15Å; I499-I658 VanDerWaalsContact O-N 3.08Å
500F81Confident84.2Confident61 Ų6168.5 Ų68.527%0.26835%0.348SS..  trans-153.6167.2178.555.6-90.1000109.7A502 K566F500-A502 HydrophobicContact CD2-CB 4.08Å; F500-A502 HydrophobicContact CE2-CB 3.7Å; F500-A502 PolarHBondContact O-N 3.4Å; F500-A502 VanDerWaalsContact O-N 3.09Å; F500-K566 HydrophobicContact CE2-CB 4.3Å; F500-K566 HydrophobicContact CZ-CB 4.34Å
501L81.6Confident84.4Confident7 Ų766 Ų664%0.03734%0.34CS..  trans-75.795.1177.4-165.380.1000110E505 L507 L511 L564 G565 K726 V729 A730 I733L501-E505 VanDerWaalsContact C-OE1 3.31Å; L501-E505 WeakPolarHBondContact CA-OE1 3.5Å; L501-E505 WeakPolarHBondContact CD1-OE1 3.36Å; L501-E505 WeakPolarHBondContact CG-OE1 3.37Å; L501-L507 HydrophobicContact CD1-CD2 4.07Å; L501-L511 HydrophobicContact CD2-CD1 4.5Å; L501-L564 HydrophobicContact CD2-CD2 3.71Å; L501-L564 HydrophobicContact CG-CD2 4.09Å; L501-G565 PolarHBondContact O-N 2.8Å; L501-K726 HydrophobicContact CB-CB 4.36Å; L501-K726 HydrophobicContact CD1-CB 4.45Å; L501-V729 HydrophobicContact CD2-CG1 4.21Å; L501-A730 HydrophobicContact CD1-CB 4.44Å; L501-A730 HydrophobicContact CD2-CB 4.4Å; L501-I733 HydrophobicContact CD2-CD1 3.82Å
502A84.1Confident84.5Confident20 Ų2064.4 Ų64.417%0.16533%0.333CS..  trans-88149.8-170.900000112.2F500 E504 E505F500-A502 HydrophobicContact CD2-CB 4.08Å; F500-A502 HydrophobicContact CE2-CB 3.7Å; F500-A502 PolarHBondContact O-N 3.4Å; F500-A502 VanDerWaalsContact O-N 3.09Å; A502-E504 PolarHBondContact O-N 2.81Å; A502-E505 PolarHBondContact N-OE1 2.98Å; A502-E505 WeakPolarHBondContact O-CG 3.36Å; A502-E505 PolarHBondContact O-N 2.78Å
503F83.9Confident84.7Confident97 Ų9764.9 Ų64.943%0.42534%0.337SS..THydrogen-bonded Turntrans-62-31.3173.3-75.4-83.2000113E505 F509 A512 L564F503-E505 VanDerWaalsContact C-N 3.33Å; F503-F509 PolarHBondContact O-N 2.95Å; F503-A512 HydrophobicContact CD1-CB 4.41Å; F503-A512 HydrophobicContact CE1-CB 4.48Å; F503-L564 HydrophobicContact CD1-CB 4.14Å; F503-L564 HydrophobicContact CD1-CD1 4.39Å; F503-L564 HydrophobicContact CD2-CB 4.35Å; F503-L564 HydrophobicContact CE1-CB 3.56Å; F503-L564 HydrophobicContact CE1-CD1 3.92Å; F503-L564 HydrophobicContact CE1-CG 4.33Å; F503-L564 HydrophobicContact CE2-CB 3.8Å; F503-L564 WeakPolarHBondContact CE2-O 3.5Å; F503-L564 HydrophobicContact CZ-CB 3.36Å
504E81.7Confident85Confident191 Ų19166.5 Ų66.589%0.89335%0.347SS*.THydrogen-bonded Turntrans-78.5-17.8-175.7-63.8173.1178.700112.9A502A502-E504 PolarHBondContact O-N 2.81Å
505E84.9Confident85.6Confident34 Ų3463.9 Ų63.916%0.15933%0.333CS..SBendtrans-81.7150.2179.590.5-168.9134.600111L501 A502 F503 L507 G508 F509 K726L501-E505 VanDerWaalsContact C-OE1 3.31Å; L501-E505 WeakPolarHBondContact CA-OE1 3.5Å; L501-E505 WeakPolarHBondContact CD1-OE1 3.36Å; L501-E505 WeakPolarHBondContact CG-OE1 3.37Å; A502-E505 PolarHBondContact N-OE1 2.98Å; A502-E505 WeakPolarHBondContact O-CG 3.36Å; A502-E505 PolarHBondContact O-N 2.78Å; F503-E505 VanDerWaalsContact C-N 3.33Å; E505-L507 VanDerWaalsContact C-N 3.29Å; E505-L507 PolarHBondContact O-N 2.87Å; E505-L507 VanDerWaalsContact O-N 3.14Å; E505-G508 PolarHBondContact O-N 3.1Å; E505-G508 VanDerWaalsContact O-N 3.09Å; E505-F509 PolarHBondContact O-N 3.42Å; E505-K726 IonicContact OE2-NZ 2.8Å; E505-K726 PolarHBondContact OE2-NZ 3.02Å
506P90.4Very high86.3Confident104 Ų10464 Ų6468%0.67533%0.328SS*.Hα-helixtrans-55.1-40.9-171.2-27.634.2000114.2I510P506-I510 WeakPolarHBondContact O-CD1 3.42Å; P506-I510 VanDerWaalsContact O-CG1 3.24Å; P506-I510 WeakPolarHBondContact O-CG1 3.16Å; P506-I510 PolarHBondContact O-N 2.91Å
507L88.7Confident87.3Confident86 Ų8666.7 Ų66.745%0.4535%0.346SS..Hα-helixtrans-67.7-45.4179.7-175.465.6000111.8L501 E505 I510 L511 A730L501-L507 HydrophobicContact CD1-CD2 4.07Å; E505-L507 VanDerWaalsContact C-N 3.29Å; E505-L507 PolarHBondContact O-N 2.87Å; E505-L507 VanDerWaalsContact O-N 3.14Å; L507-I510 PolarHBondContact O-N 3.15Å; L507-L511 HydrophobicContact CD1-CD1 4.49Å; L507-L511 HydrophobicContact CG-CD1 4.26Å; L507-L511 WeakPolarHBondContact O-CG 3.13Å; L507-L511 PolarHBondContact O-N 3.22Å; L507-L511 VanDerWaalsContact O-N 3.16Å; L507-A730 HydrophobicContact CD2-CB 3.92Å
508G90.4Very high88.5Confident0 Ų064 Ų640%033%0.328CS..Hα-helixtrans-64.8-41.1179.500000112.5E505 L511 A512E505-G508 PolarHBondContact O-N 3.1Å; E505-G508 VanDerWaalsContact O-N 3.09Å; G508-L511 PolarHBondContact O-N 3.2Å; G508-A512 WeakPolarHBondContact O-CB 3.31Å; G508-A512 PolarHBondContact O-N 3.31Å
509F91.1Very high89.6Confident128 Ų12860.9 Ų60.956%0.56131%0.314SS*.Hα-helixtrans-60.4-47.5176.1-178.6-98.5000112.5F503 E505 L511 A512 L513F503-F509 PolarHBondContact O-N 2.95Å; E505-F509 PolarHBondContact O-N 3.42Å; F509-L511 PolarHBondContact O-N 3.2Å; F509-A512 PolarHBondContact O-N 3Å; F509-L513 PolarHBondContact O-N 3.43Å
510I93.6Very high90.6Very high99 Ų9961 Ų6151%0.50833%0.325SS..Hα-helixtrans-62.2-45.1179.8-68.6166.4000110.8P506 L507 A512 L513 V514P506-I510 WeakPolarHBondContact O-CD1 3.42Å; P506-I510 VanDerWaalsContact O-CG1 3.24Å; P506-I510 WeakPolarHBondContact O-CG1 3.16Å; P506-I510 PolarHBondContact O-N 2.91Å; L507-I510 PolarHBondContact O-N 3.15Å; I510-A512 PolarHBondContact O-N 3.39Å; I510-L513 PolarHBondContact O-N 3.47Å; I510-V514 HydrophobicContact CG2-CG2 4.49Å; I510-V514 WeakPolarHBondContact O-CG2 3.39Å; I510-V514 PolarHBondContact O-N 3.16Å
511L93Very high91.2Very high17 Ų1762.1 Ų62.19%0.08933%0.334CS..Hα-helixtrans-63.6-40.7179.9-68.5174.5000112.2L501 L507 G508 F509 V514 A515 A730 I733 L737L501-L511 HydrophobicContact CD2-CD1 4.5Å; L507-L511 HydrophobicContact CD1-CD1 4.49Å; L507-L511 HydrophobicContact CG-CD1 4.26Å; L507-L511 WeakPolarHBondContact O-CG 3.13Å; L507-L511 PolarHBondContact O-N 3.22Å; L507-L511 VanDerWaalsContact O-N 3.16Å; G508-L511 PolarHBondContact O-N 3.2Å; F509-L511 PolarHBondContact O-N 3.2Å; L511-V514 PolarHBondContact O-N 3.35Å; L511-A515 WeakPolarHBondContact O-CB 3.43Å; L511-A515 PolarHBondContact O-N 2.96Å; L511-A730 HydrophobicContact CD1-CB 4.42Å; L511-I733 HydrophobicContact CB-CG2 4.01Å; L511-I733 HydrophobicContact CD1-CB 4.27Å; L511-I733 HydrophobicContact CD1-CD1 4.26Å; L511-I733 HydrophobicContact CD1-CG2 4.04Å; L511-I733 HydrophobicContact CD2-CG2 4.09Å; L511-I733 HydrophobicContact CG-CG2 4.27Å; L511-L737 HydrophobicContact CD2-CD1 4.37Å
512A94.1Very high91.7Very high12 Ų1261.8 Ų61.810%0.09933%0.332CS..Hα-helixtrans-62.5-42.9175.600000112.2F503 G508 F509 I510 A515 L516 L561 L564F503-A512 HydrophobicContact CD1-CB 4.41Å; F503-A512 HydrophobicContact CE1-CB 4.48Å; G508-A512 WeakPolarHBondContact O-CB 3.31Å; G508-A512 PolarHBondContact O-N 3.31Å; F509-A512 PolarHBondContact O-N 3Å; I510-A512 PolarHBondContact O-N 3.39Å; A512-A515 WeakPolarHBondContact O-CB 3.27Å; A512-A515 PolarHBondContact O-N 2.99Å; A512-L516 WeakPolarHBondContact O-CG 3.28Å; A512-L516 PolarHBondContact O-N 3.41Å; A512-L561 HydrophobicContact CB-CD2 3.97Å; A512-L564 HydrophobicContact CB-CD1 3.88Å
513L94.6Very high92.2Very high86 Ų8664.6 Ų64.645%0.4535%0.347SS..Hα-helixtrans-63-46.4178.3-178.165000111.5F509 I510 A515 L516 L517F509-L513 PolarHBondContact O-N 3.43Å; I510-L513 PolarHBondContact O-N 3.47Å; L513-A515 VanDerWaalsContact C-N 3.31Å; L513-A515 PolarHBondContact O-N 3.43Å; L513-L516 PolarHBondContact O-N 3.44Å; L513-L517 HydrophobicContact CD1-CD1 4.37Å; L513-L517 HydrophobicContact CD1-CG 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.05Å; L513-L517 WeakPolarHBondContact O-CB 3.34Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.36Å; L513-L517 PolarHBondContact O-N 3.04Å
514V95.5Very high92.7Very high59 Ų5965.3 Ų65.336%0.35835%0.354SS..Hα-helixtrans-61.7-40.8177.5174.40000111.1I510 L511 L517 L518 L737I510-V514 HydrophobicContact CG2-CG2 4.49Å; I510-V514 WeakPolarHBondContact O-CG2 3.39Å; I510-V514 PolarHBondContact O-N 3.16Å; L511-V514 PolarHBondContact O-N 3.35Å; V514-L517 PolarHBondContact O-N 3.45Å; V514-L518 HydrophobicContact CG1-CD1 3.9Å; V514-L518 HydrophobicContact CG1-CG 4.39Å; V514-L518 WeakPolarHBondContact O-CB 3.44Å; V514-L518 WeakPolarHBondContact O-CG 3.34Å; V514-L518 PolarHBondContact O-N 3.45Å; V514-L737 HydrophobicContact CB-CD1 4.27Å; V514-L737 HydrophobicContact CG1-CD1 4.03Å
515A95.9Very high93.2Very high0 Ų056.8 Ų56.80%032%0.315CS..Hα-helixtrans-58.5-48.817500000112.3L511 A512 L513 L518 A519 A557 A560 L561 L737L511-A515 WeakPolarHBondContact O-CB 3.43Å; L511-A515 PolarHBondContact O-N 2.96Å; A512-A515 WeakPolarHBondContact O-CB 3.27Å; A512-A515 PolarHBondContact O-N 2.99Å; L513-A515 VanDerWaalsContact C-N 3.31Å; L513-A515 PolarHBondContact O-N 3.43Å; A515-L518 PolarHBondContact O-N 3.02Å; A515-A519 WeakPolarHBondContact O-CB 3.43Å; A515-A519 PolarHBondContact O-N 3.43Å; A515-A557 WeakPolarHBondContact CB-O 3.41Å; A515-A560 HydrophobicContact CB-CB 4.16Å; A515-L561 HydrophobicContact CB-CD2 4.27Å; A515-L737 HydrophobicContact CB-CD1 4.44Å; A515-L737 HydrophobicContact CB-CD2 3.79Å
516L95.9Very high93.5Very high96 Ų9656.4 Ų56.450%0.50331%0.314SS..Hα-helixtrans-65.3-40.6179.1-69.4174.1000112.4A512 L513 A519 G520 L558 L561A512-L516 WeakPolarHBondContact O-CG 3.28Å; A512-L516 PolarHBondContact O-N 3.41Å; L513-L516 PolarHBondContact O-N 3.44Å; L516-A519 PolarHBondContact O-N 3.44Å; L516-G520 PolarHBondContact O-N 2.9Å; L516-L558 HydrophobicContact CD2-CD2 4.15Å; L516-L561 HydrophobicContact CD2-CD1 4.06Å
517L95.8Very high93.4Very high112 Ų11253.1 Ų53.159%0.58630%0.3SS*.Hα-helixtrans-64.3-44.9177.2-72.1172.7000111.9L513 V514 G520 L521L513-L517 HydrophobicContact CD1-CD1 4.37Å; L513-L517 HydrophobicContact CD1-CG 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.05Å; L513-L517 WeakPolarHBondContact O-CB 3.34Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.36Å; L513-L517 PolarHBondContact O-N 3.04Å; V514-L517 PolarHBondContact O-N 3.45Å; L517-G520 PolarHBondContact O-N 3.43Å; L517-L521 WeakPolarHBondContact O-CB 3.31Å; L517-L521 PolarHBondContact O-N 3.04Å
518L94.8Very high93.5Very high26 Ų2650.2 Ų50.214%0.13629%0.285CS..Hα-helixtrans-65.6-41.1176.9-75.1173000112V514 A515 L521 A522 A557 L737 A741V514-L518 HydrophobicContact CG1-CD1 3.9Å; V514-L518 HydrophobicContact CG1-CG 4.39Å; V514-L518 WeakPolarHBondContact O-CB 3.44Å; V514-L518 WeakPolarHBondContact O-CG 3.34Å; V514-L518 PolarHBondContact O-N 3.45Å; A515-L518 PolarHBondContact O-N 3.02Å; L518-L521 PolarHBondContact O-N 3.31Å; L518-A522 PolarHBondContact O-N 3.15Å; L518-A557 HydrophobicContact CB-CB 4.03Å; L518-L737 HydrophobicContact CD1-CB 4.19Å; L518-L737 HydrophobicContact CD1-CD2 4.16Å; L518-A741 HydrophobicContact CD1-CB 4.09Å; L518-A741 HydrophobicContact CD2-CB 3.86Å
519A96.2Very high93.3Very high6 Ų650.2 Ų50.25%0.0529%0.285CS..Hα-helixtrans-61.6-45.9174.700000111.5A515 L516 A522 V523 A557 L558A515-A519 WeakPolarHBondContact O-CB 3.43Å; A515-A519 PolarHBondContact O-N 3.43Å; L516-A519 PolarHBondContact O-N 3.44Å; A519-A522 PolarHBondContact O-N 3.38Å; A519-V523 WeakPolarHBondContact O-CG2 3.32Å; A519-V523 PolarHBondContact O-N 3.38Å; A519-A557 HydrophobicContact CB-CB 3.85Å; A519-L558 HydrophobicContact CB-CD2 3.86Å; A519-L558 HydrophobicContact CB-CG 3.82Å
520G94.8Very high93.1Very high41 Ų4148.3 Ų48.342%0.42328%0.281SS..Hα-helixtrans-61.7-41.5176.400000112.6L516 L517 V523 L524L516-G520 PolarHBondContact O-N 2.9Å; L517-G520 PolarHBondContact O-N 3.43Å; G520-V523 PolarHBondContact O-N 3.41Å; G520-L524 WeakPolarHBondContact O-CB 3.41Å; G520-L524 PolarHBondContact O-N 3.25Å
521L93.8Very high92.8Very high84 Ų8452 Ų5244%0.4429%0.293SS..Hα-helixtrans-62.5-44175.4-174.467.1000111.7L517 L518 V523 L524 V525 L744L517-L521 WeakPolarHBondContact O-CB 3.31Å; L517-L521 PolarHBondContact O-N 3.04Å; L518-L521 PolarHBondContact O-N 3.31Å; L521-V523 PolarHBondContact O-N 3.19Å; L521-L524 PolarHBondContact O-N 3.28Å; L521-V525 VanDerWaalsContact O-CG2 3.32Å; L521-V525 WeakPolarHBondContact O-CG2 3.15Å; L521-V525 PolarHBondContact O-N 3.19Å; L521-L744 HydrophobicContact CB-CD2 4.2Å; L521-L744 HydrophobicContact CD2-CD2 3.8Å; L521-L744 HydrophobicContact CG-CD2 3.97Å
522A93.6Very high92.5Very high0 Ų053.9 Ų53.90%030%0.301CS..Hα-helixtrans-62.1-42.1176.900000112.3L518 A519 V525 L526 L744L518-A522 PolarHBondContact O-N 3.15Å; A519-A522 PolarHBondContact O-N 3.38Å; A522-V525 PolarHBondContact O-N 3.29Å; A522-L526 PolarHBondContact O-N 2.79Å; A522-L744 HydrophobicContact CB-CD1 4.14Å; A522-L744 HydrophobicContact CB-CD2 4.12Å
523V94.3Very high91.8Very high79 Ų7960.2 Ų60.248%0.47932%0.322SS..Hα-helixtrans-65.6-41175.8172.90000111.4A519 G520 L521 L526 G527 S554A519-V523 WeakPolarHBondContact O-CG2 3.32Å; A519-V523 PolarHBondContact O-N 3.38Å; G520-V523 PolarHBondContact O-N 3.41Å; L521-V523 PolarHBondContact O-N 3.19Å; V523-L526 WeakPolarHBondContact O-CB 3.47Å; V523-L526 PolarHBondContact O-N 3.25Å; V523-G527 PolarHBondContact O-N 3.29Å; V523-S554 WeakPolarHBondContact CG2-OG 3.32Å
524L93.3Very high91.1Very high111 Ų11161.5 Ų61.558%0.58133%0.33SS*.Hα-helixtrans-62-44.5176.2-178.2138.6000111.3G520 L521 L526 G527 V528G520-L524 WeakPolarHBondContact O-CB 3.41Å; G520-L524 PolarHBondContact O-N 3.25Å; L521-L524 PolarHBondContact O-N 3.28Å; L524-L526 VanDerWaalsContact C-N 3.34Å; L524-L526 PolarHBondContact O-N 2.92Å; L524-G527 PolarHBondContact O-N 3.01Å; L524-V528 WeakPolarHBondContact O-CG2 3.35Å; L524-V528 PolarHBondContact O-N 2.91Å
525V91.8Very high90.3Very high12 Ų1259.8 Ų59.87%0.07332%0.32CS..Hα-helixtrans-61.8-41.5174.5172.50000111.2L521 A522 G527 V528 F529 L550 F748L521-V525 VanDerWaalsContact O-CG2 3.32Å; L521-V525 WeakPolarHBondContact O-CG2 3.15Å; L521-V525 PolarHBondContact O-N 3.19Å; A522-V525 PolarHBondContact O-N 3.29Å; V525-G527 VanDerWaalsContact C-N 3.33Å; V525-G527 PolarHBondContact O-N 3.46Å; V525-V528 PolarHBondContact O-N 2.92Å; V525-F529 HydrophobicContact CG1-CD2 3.99Å; V525-F529 HydrophobicContact CG1-CE2 3.98Å; V525-F529 VanDerWaalsContact O-CD2 3.32Å; V525-F529 WeakPolarHBondContact O-CD2 3.36Å; V525-F529 PolarHBondContact O-N 2.89Å; V525-L550 HydrophobicContact CB-CD2 4.06Å; V525-L550 HydrophobicContact CG1-CD1 3.96Å; V525-L550 HydrophobicContact CG1-CD2 3.62Å; V525-L550 HydrophobicContact CG1-CG 4.47Å; V525-F748 HydrophobicContact CG1-CB 3.93Å; V525-F748 HydrophobicContact CG1-CD1 4.06Å; V525-F748 HydrophobicContact CG1-CG 4.12Å
526L91.6Very high89.2Confident26 Ų2661.4 Ų61.414%0.13633%0.33CS..Hα-helixtrans-59-43.8173.1-179.261.6000111.7A522 V523 L524 V528 F529 L530 Y547 L550 I551A522-L526 PolarHBondContact O-N 2.79Å; V523-L526 WeakPolarHBondContact O-CB 3.47Å; V523-L526 PolarHBondContact O-N 3.25Å; L524-L526 VanDerWaalsContact C-N 3.34Å; L524-L526 PolarHBondContact O-N 2.92Å; L526-V528 VanDerWaalsContact C-N 3.34Å; L526-V528 PolarHBondContact O-N 2.74Å; L526-F529 PolarHBondContact O-N 2.98Å; L526-L530 HydrophobicContact CD1-CD1 4.39Å; L526-L530 HydrophobicContact CD1-CG 4.35Å; L526-L530 HydrophobicContact CG-CD1 4.07Å; L526-L530 HydrophobicContact CG-CG 4.48Å; L526-L530 WeakPolarHBondContact O-CG 3.36Å; L526-L530 PolarHBondContact O-N 2.83Å; L526-Y547 HydrophobicContact CD1-CD1 3.54Å; L526-Y547 HydrophobicContact CD1-CE1 4.24Å; L526-Y547 HydrophobicContact CD1-CG 4.24Å; L526-L550 HydrophobicContact CB-CB 4.15Å; L526-L550 HydrophobicContact CB-CD1 4.18Å; L526-L550 HydrophobicContact CD1-CB 4.14Å; L526-L550 HydrophobicContact CD1-CD1 4.15Å; L526-I551 HydrophobicContact CD2-CD1 4.47Å; L526-I551 HydrophobicContact CD2-CG1 3.7Å
527G89.2Confident88.2Confident36 Ų3657.1 Ų57.137%0.37131%0.308SS..Hα-helixtrans-58.4-42.4174.300000113V523 L524 V525 L530 K531V523-G527 PolarHBondContact O-N 3.29Å; L524-G527 PolarHBondContact O-N 3.01Å; V525-G527 VanDerWaalsContact C-N 3.33Å; V525-G527 PolarHBondContact O-N 3.46Å; G527-L530 PolarHBondContact O-N 2.95Å; G527-K531 WeakPolarHBondContact O-CB 3.46Å; G527-K531 PolarHBondContact O-N 3.23Å
528V89.4Confident87.3Confident24 Ų2451.9 Ų51.915%0.14528%0.28CS..Hα-helixtrans-61.9-44.6175.31740000111.2L524 V525 L526 K531 H532 I755 L756L524-V528 WeakPolarHBondContact O-CG2 3.35Å; L524-V528 PolarHBondContact O-N 2.91Å; V525-V528 PolarHBondContact O-N 2.92Å; L526-V528 VanDerWaalsContact C-N 3.34Å; L526-V528 PolarHBondContact O-N 2.74Å; V528-K531 PolarHBondContact O-N 2.9Å; V528-H532 WeakPolarHBondContact O-CB 3.47Å; V528-H532 PolarHBondContact O-N 2.81Å; V528-H532 PolarHBondContact O-ND1 3.35Å; V528-H532 VanDerWaalsContact O-ND1 3.1Å; V528-I755 HydrophobicContact CG1-CG2 4.17Å; V528-L756 HydrophobicContact CG1-CD2 4.38Å
529F87.1Confident86.3Confident1 Ų159.4 Ų59.40%0.00431%0.307CS..Hα-helixtrans-70-29.9179.4-87.4-117.9000113.2V525 L526 R533 V538 Y547 L550 F748 K751 I755V525-F529 HydrophobicContact CG1-CD2 3.99Å; V525-F529 HydrophobicContact CG1-CE2 3.98Å; V525-F529 VanDerWaalsContact O-CD2 3.32Å; V525-F529 WeakPolarHBondContact O-CD2 3.36Å; V525-F529 PolarHBondContact O-N 2.89Å; L526-F529 PolarHBondContact O-N 2.98Å; F529-R533 WeakPolarHBondContact O-CA 3.46Å; F529-R533 PolarHBondContact O-N 2.94Å; F529-V538 HydrophobicContact CD1-CG1 4.1Å; F529-V538 HydrophobicContact CD1-CG2 4.01Å; F529-V538 HydrophobicContact CE1-CG2 4.28Å; F529-V538 HydrophobicContact CG-CG2 4.39Å; F529-Y547 HydrophobicContact CB-CE1 4.06Å; F529-Y547 PolarHBondContact O-OH 3.42Å; F529-L550 HydrophobicContact CG-CD1 4.36Å; F529-F748 HydrophobicContact CE1-CD1 4.19Å; F529-F748 HydrophobicContact CE1-CE1 4.17Å; F529-F748 AromaticContact CE2-CD1 4Å; F529-F748 HydrophobicContact CE2-CD1 4Å; F529-F748 AromaticContact CZ-CD1 3.66Å; F529-F748 HydrophobicContact CZ-CD1 3.66Å; F529-F748 HydrophobicContact CZ-CE1 4.11Å; F529-K751 HydrophobicContact CZ-CB 4.04Å; F529-K751 HydrophobicContact CZ-CD 4.3Å; F529-I755 HydrophobicContact CE2-CD1 4.2Å; F529-I755 HydrophobicContact CZ-CD1 4.39Å
530L87.6Confident85Confident88 Ų8862.7 Ų62.746%0.46133%0.334SS..Hα-helixtrans-73.1-43.8172.7-73170.4000111.4L526 G527 R533 Y547L526-L530 HydrophobicContact CD1-CD1 4.39Å; L526-L530 HydrophobicContact CD1-CG 4.35Å; L526-L530 HydrophobicContact CG-CD1 4.07Å; L526-L530 HydrophobicContact CG-CG 4.48Å; L526-L530 WeakPolarHBondContact O-CG 3.36Å; L526-L530 PolarHBondContact O-N 2.83Å; G527-L530 PolarHBondContact O-N 2.95Å; L530-R533 WeakPolarHBondContact O-CB 3.3Å; L530-R533 PolarHBondContact O-N 3.28Å; L530-Y547 HydrophobicContact CD2-CD1 4.47Å; L530-Y547 HydrophobicContact CD2-CE1 3.86Å; L530-Y547 HydrophobicContact CD2-CE2 4.09Å; L530-Y547 HydrophobicContact CG-CE1 4.22Å
531K87.6Confident83.8Confident176 Ų17661.1 Ų61.177%0.76532%0.316SS*.Hα-helixtrans-63.8-41.8178-175.8173.4179.9177.60112.1G527 V528 R533G527-K531 WeakPolarHBondContact O-CB 3.46Å; G527-K531 PolarHBondContact O-N 3.23Å; V528-K531 PolarHBondContact O-N 2.9Å; K531-R533 VanDerWaalsContact C-N 3.34Å
532H84.9Confident83Confident56 Ų5658.6 Ų58.626%0.25930%0.303SS..THydrogen-bonded Turntrans-97.628.2-180-62.489.3000112.7V528 D534 T535 I755V528-H532 WeakPolarHBondContact O-CB 3.47Å; V528-H532 PolarHBondContact O-N 2.81Å; V528-H532 PolarHBondContact O-ND1 3.35Å; V528-H532 VanDerWaalsContact O-ND1 3.1Å; H532-D534 PolarHBondContact O-N 3.19Å; H532-D534 VanDerWaalsContact O-N 3.07Å; H532-T535 HydrophobicContact CB-CG2 3.77Å; H532-T535 WeakPolarHBondContact O-CB 3.3Å; H532-T535 WeakPolarHBondContact O-CG2 3.25Å; H532-T535 PolarHBondContact O-N 2.87Å; H532-T535 PolarHBondContact O-OG1 3.37Å; H532-I755 HydrophobicContact CB-CG2 4.15Å
533R81.1Confident82.5Confident145 Ų14561.5 Ų61.555%0.54731%0.314SS..THydrogen-bonded Turntrans-52.5-37.2-174.666.2-175.4-179.4-171.8-6.5112.8F529 L530 K531 T535 R543F529-R533 WeakPolarHBondContact O-CA 3.46Å; F529-R533 PolarHBondContact O-N 2.94Å; L530-R533 WeakPolarHBondContact O-CB 3.3Å; L530-R533 PolarHBondContact O-N 3.28Å; K531-R533 VanDerWaalsContact C-N 3.34Å; R533-T535 VanDerWaalsContact C-N 3.3Å; R533-T535 PolarHBondContact O-N 3.15Å; R533-R543 PolarHBondContact O-NE 3.44Å; R533-R543 PolarHBondContact O-NH1 3.01Å; R533-R543 PolarHBondContact O-NH2 3.45Å
534D78.3Confident82Confident113 Ų11360.7 Ų60.760%0.60431%0.31SS*.THydrogen-bonded Turntrans-84.5-1.2-174.9-62.5-47.1000114.8H532 R543H532-D534 PolarHBondContact O-N 3.19Å; H532-D534 VanDerWaalsContact O-N 3.07Å; D534-R543 IonicContact OD1-CZ 3.38Å; D534-R543 IonicContact OD1-NH1 3.4Å; D534-R543 PolarHBondContact OD1-NH1 3.48Å; D534-R543 IonicContact OD1-NH2 3.59Å
535T80.1Confident81.7Confident24 Ų2455.5 Ų55.515%0.14728%0.282CS..SBendtrans-70144.7174.862.50000111.9H532 R533 V537 V538 R539 N762H532-T535 HydrophobicContact CB-CG2 3.77Å; H532-T535 WeakPolarHBondContact O-CB 3.3Å; H532-T535 WeakPolarHBondContact O-CG2 3.25Å; H532-T535 PolarHBondContact O-N 2.87Å; H532-T535 PolarHBondContact O-OG1 3.37Å; R533-T535 VanDerWaalsContact C-N 3.3Å; R533-T535 PolarHBondContact O-N 3.15Å; T535-V537 VanDerWaalsContact C-N 3.27Å; T535-V537 PolarHBondContact O-N 2.79Å; T535-V538 PolarHBondContact O-N 3.1Å; T535-V538 WeakPolarHBondContact OG1-CG2 3.31Å; T535-R539 PolarHBondContact O-N 3.32Å; T535-N762 WeakPolarHBondContact CB-OD1 3.38Å; T535-N762 WeakPolarHBondContact CG2-ND2 3.2Å
536P71.8Confident81.5Confident34 Ų3455 Ų5522%0.22128%0.279CS..Hα-helixtrans-68.3-26-174.730-37.6000112.6R539 A540 N762 L767P536-R539 PolarHBondContact O-N 2.8Å; P536-A540 VanDerWaalsContact O-CB 3.26Å; P536-A540 WeakPolarHBondContact O-CB 3.38Å; P536-A540 PolarHBondContact O-N 3.19Å; P536-N762 WeakPolarHBondContact CD-O 3.45Å; P536-N762 WeakPolarHBondContact CD-OD1 3.22Å; P536-N762 WeakPolarHBondContact CG-O 3.38Å; P536-L767 HydrophobicContact CB-CD1 3.48Å; P536-L767 VanDerWaalsContact CB-CD1 3.48Å; P536-L767 HydrophobicContact CG-CD1 3.94Å
537V74.9Confident81.5Confident6 Ų656 Ų564%0.03628%0.281CS..Hα-helixtrans-63.4-43.3172.5174.10000111.9T535 N541 F696 I754 I755 N762T535-V537 VanDerWaalsContact C-N 3.27Å; T535-V537 PolarHBondContact O-N 2.79Å; V537-N541 WeakPolarHBondContact O-CB 3.17Å; V537-N541 PolarHBondContact O-N 3.14Å; V537-F696 HydrophobicContact CG2-CZ 4.14Å; V537-I754 HydrophobicContact CG2-CG2 4.18Å; V537-I755 HydrophobicContact CB-CG1 4.47Å; V537-I755 HydrophobicContact CG1-CD1 4.27Å; V537-I755 HydrophobicContact CG1-CG1 4.19Å; V537-N762 VanDerWaalsContact CG2-OD1 3.29Å; V537-N762 WeakPolarHBondContact CG2-OD1 3.4Å
538V76.8Confident81.6Confident1 Ų158.1 Ų58.11%0.00628%0.281CS..Hα-helixtrans-74.4-33.4179176.30000111.3F529 T535 R543 I755F529-V538 HydrophobicContact CD1-CG1 4.1Å; F529-V538 HydrophobicContact CD1-CG2 4.01Å; F529-V538 HydrophobicContact CE1-CG2 4.28Å; F529-V538 HydrophobicContact CG-CG2 4.39Å; T535-V538 PolarHBondContact O-N 3.1Å; T535-V538 WeakPolarHBondContact OG1-CG2 3.31Å; V538-R543 HydrophobicContact CG1-CG 4Å; V538-R543 WeakPolarHBondContact O-CG 3.44Å; V538-I755 HydrophobicContact CG2-CD1 3.8Å
539R74.4Confident81.7Confident184 Ų18457 Ų5769%0.69427%0.274SS*.Hα-helixtrans-71.8-39.8177-164.1176.8-179.2168.8-0.5113.3T535 P536 N541T535-R539 PolarHBondContact O-N 3.32Å; P536-R539 PolarHBondContact O-N 2.8Å; R539-N541 PolarHBondContact O-N 3.48Å
540A68.5Low82Confident76 Ų7657 Ų5763%0.62827%0.274SS*.Hα-helixtrans-64.8-31.2177.200000112.1P536 N542P536-A540 VanDerWaalsContact O-CB 3.26Å; P536-A540 WeakPolarHBondContact O-CB 3.38Å; P536-A540 PolarHBondContact O-N 3.19Å; A540-N542 PolarHBondContact O-N 3.15Å
541N69.5Low82.3Confident7 Ų756.8 Ų56.84%0.03727%0.272CS..THydrogen-bonded Turntrans-97.752.3-179.3176.428.5000112.6V537 R539 R543 S546 K593 E698 K751V537-N541 WeakPolarHBondContact O-CB 3.17Å; V537-N541 PolarHBondContact O-N 3.14Å; R539-N541 PolarHBondContact O-N 3.48Å; N541-R543 PolarHBondContact O-N 2.9Å; N541-S546 PolarHBondContact ND2-OG 3.19Å; N541-S546 VanDerWaalsContact ND2-OG 3.1Å; N541-S546 PolarHBondContact O-OG 3.29Å; N541-S546 PolarHBondContact OD1-OG 2.6Å; N541-K593 WeakPolarHBondContact OD1-CE 3.38Å; N541-K593 PolarHBondContact OD1-NZ 2.87Å; N541-E698 PolarHBondContact OD1-OE1 3.22Å; N541-K751 PolarHBondContact ND2-NZ 3.47Å; N541-K751 PolarHBondContact OD1-NZ 3.26Å
542N77.8Confident82.7Confident32 Ų3248.6 Ų48.617%0.17124%0.237CC..  trans25.388.4174.5-167.2-25.2000114.6A540 T544 L545 S546 S619A540-N542 PolarHBondContact O-N 3.15Å; N542-T544 PolarHBondContact O-N 3.33Å; N542-T544 VanDerWaalsContact O-N 3.1Å; N542-L545 HydrophobicContact CB-CD1 4.27Å; N542-L545 PolarHBondContact O-N 3.36Å; N542-L545 VanDerWaalsContact O-N 3.1Å; N542-S546 PolarHBondContact O-N 3.44Å; N542-S619 PolarHBondContact ND2-OG 3.31Å
543R81.8Confident83.2Confident61 Ų6146 Ų4623%0.2323%0.225CC..Hα-helixtrans-47.8-44.5-170.2-55.5-174.7-176.1169.7-3113.3R533 D534 V538 N541 S546 Y547R533-R543 PolarHBondContact O-NE 3.44Å; R533-R543 PolarHBondContact O-NH1 3.01Å; R533-R543 PolarHBondContact O-NH2 3.45Å; D534-R543 IonicContact OD1-CZ 3.38Å; D534-R543 IonicContact OD1-NH1 3.4Å; D534-R543 PolarHBondContact OD1-NH1 3.48Å; D534-R543 IonicContact OD1-NH2 3.59Å; V538-R543 HydrophobicContact CG1-CG 4Å; V538-R543 WeakPolarHBondContact O-CG 3.44Å; N541-R543 PolarHBondContact O-N 2.9Å; R543-S546 PolarHBondContact O-N 3.41Å; R543-Y547 HydrophobicContact CB-CE2 4.12Å; R543-Y547 VanDerWaalsContact O-CD2 3.31Å; R543-Y547 WeakPolarHBondContact O-CD2 3.41Å; R543-Y547 PolarHBondContact O-N 2.99Å
544T84.5Confident83.8Confident62 Ų6239.7 Ų39.738%0.3820%0.204SC..Hα-helixtrans-62.1-46.5-176.8-45.60000112.1N542 Y547 F548N542-T544 PolarHBondContact O-N 3.33Å; N542-T544 VanDerWaalsContact O-N 3.1Å; T544-Y547 PolarHBondContact O-N 2.88Å; T544-F548 HydrophobicContact CG2-CD2 3.97Å; T544-F548 HydrophobicContact CG2-CE2 3.6Å; T544-F548 WeakPolarHBondContact O-CD2 3.38Å; T544-F548 PolarHBondContact O-N 2.93Å
545L86.7Confident84.6Confident2 Ų238.4 Ų38.41%0.0120%0.196CC..Hα-helixtrans-68.8-36.9179.1-66.3177.9000112.2N542 Y547 F548 L549 A592 K593 V623N542-L545 HydrophobicContact CB-CD1 4.27Å; N542-L545 PolarHBondContact O-N 3.36Å; N542-L545 VanDerWaalsContact O-N 3.1Å; L545-Y547 VanDerWaalsContact C-N 3.32Å; L545-Y547 PolarHBondContact O-N 3.07Å; L545-F548 PolarHBondContact O-N 2.87Å; L545-L549 VanDerWaalsContact O-CB 3.31Å; L545-L549 WeakPolarHBondContact O-CB 3.38Å; L545-L549 PolarHBondContact O-N 2.76Å; L545-A592 HydrophobicContact CD1-CB 4.02Å; L545-A592 HydrophobicContact CD2-CB 4Å; L545-K593 HydrophobicContact CD1-CB 4.25Å; L545-V623 HydrophobicContact CD2-CG2 3.87Å
546S88.8Confident85.3Confident1 Ų137.3 Ų37.31%0.00719%0.189CC..Hα-helixtrans-65.1-35.8175.5-68.50000111.8N541 N542 R543 L550N541-S546 PolarHBondContact ND2-OG 3.19Å; N541-S546 VanDerWaalsContact ND2-OG 3.1Å; N541-S546 PolarHBondContact O-OG 3.29Å; N541-S546 PolarHBondContact OD1-OG 2.6Å; N542-S546 PolarHBondContact O-N 3.44Å; R543-S546 PolarHBondContact O-N 3.41Å; S546-L550 WeakPolarHBondContact O-CB 3.42Å; S546-L550 WeakPolarHBondContact O-CG 3.36Å; S546-L550 PolarHBondContact O-N 3.14Å
547Y90.6Very high86.4Confident47 Ų4735.7 Ų35.718%0.18418%0.179CC..Hα-helixtrans-68.8-46.8173.7-61.4-26.8000112.4L526 F529 L530 R543 T544 L545 L549 L550 I551L526-Y547 HydrophobicContact CD1-CD1 3.54Å; L526-Y547 HydrophobicContact CD1-CE1 4.24Å; L526-Y547 HydrophobicContact CD1-CG 4.24Å; F529-Y547 HydrophobicContact CB-CE1 4.06Å; F529-Y547 PolarHBondContact O-OH 3.42Å; L530-Y547 HydrophobicContact CD2-CD1 4.47Å; L530-Y547 HydrophobicContact CD2-CE1 3.86Å; L530-Y547 HydrophobicContact CD2-CE2 4.09Å; L530-Y547 HydrophobicContact CG-CE1 4.22Å; R543-Y547 HydrophobicContact CB-CE2 4.12Å; R543-Y547 VanDerWaalsContact O-CD2 3.31Å; R543-Y547 WeakPolarHBondContact O-CD2 3.41Å; R543-Y547 PolarHBondContact O-N 2.99Å; T544-Y547 PolarHBondContact O-N 2.88Å; L545-Y547 VanDerWaalsContact C-N 3.32Å; L545-Y547 PolarHBondContact O-N 3.07Å; Y547-L549 VanDerWaalsContact C-N 3.3Å; Y547-L549 PolarHBondContact O-N 3.24Å; Y547-L550 PolarHBondContact O-N 3.22Å; Y547-I551 WeakPolarHBondContact O-CB 3.14Å; Y547-I551 VanDerWaalsContact O-CG1 3.26Å; Y547-I551 WeakPolarHBondContact O-CG1 3.45Å; Y547-I551 PolarHBondContact O-N 2.81Å
548F91.4Very high87.3Confident80 Ų8038.4 Ų38.435%0.35119%0.193SC..Hα-helixtrans-57.7-44175.2-79.2-58.2000111.8T544 L545 S552 T620T544-F548 HydrophobicContact CG2-CD2 3.97Å; T544-F548 HydrophobicContact CG2-CE2 3.6Å; T544-F548 WeakPolarHBondContact O-CD2 3.38Å; T544-F548 PolarHBondContact O-N 2.93Å; L545-F548 PolarHBondContact O-N 2.87Å; F548-S552 WeakPolarHBondContact O-CB 3.48Å; F548-S552 PolarHBondContact O-N 2.76Å; F548-T620 HydrophobicContact CE2-CG2 4.01Å
549L92.4Very high88.2Confident2 Ų238.5 Ų38.51%0.0119%0.194CC..Hα-helixtrans-63.3-46.1177.8-177.557.9000112.3L545 Y547 S552 L553 A586 V590 I747 F748L545-L549 VanDerWaalsContact O-CB 3.31Å; L545-L549 WeakPolarHBondContact O-CB 3.38Å; L545-L549 PolarHBondContact O-N 2.76Å; Y547-L549 VanDerWaalsContact C-N 3.3Å; Y547-L549 PolarHBondContact O-N 3.24Å; L549-S552 PolarHBondContact O-N 2.92Å; L549-L553 HydrophobicContact CD1-CD1 4.07Å; L549-L553 HydrophobicContact CD1-CG 4.12Å; L549-L553 HydrophobicContact CG-CD1 4Å; L549-L553 HydrophobicContact CG-CG 4.46Å; L549-L553 WeakPolarHBondContact O-CB 3.31Å; L549-L553 VanDerWaalsContact O-CG 3.22Å; L549-L553 WeakPolarHBondContact O-CG 3.4Å; L549-L553 PolarHBondContact O-N 3.28Å; L549-A586 HydrophobicContact CD1-CB 4.05Å; L549-A586 WeakPolarHBondContact CD1-O 3.47Å; L549-V590 HydrophobicContact CD1-CG2 3.95Å; L549-V590 HydrophobicContact CD2-CG2 3.97Å; L549-I747 HydrophobicContact CD2-CD1 3.92Å; L549-I747 HydrophobicContact CD2-CG2 4.28Å; L549-F748 HydrophobicContact CB-CZ 4.33Å; L549-F748 HydrophobicContact CD2-CE2 3.69Å; L549-F748 HydrophobicContact CD2-CZ 3.74Å; L549-F748 HydrophobicContact CG-CE2 3.94Å; L549-F748 HydrophobicContact CG-CZ 4.04Å
550L93.5Very high89.1Confident1 Ų129.8 Ų29.81%0.00516%0.161CC..Hα-helixtrans-68.4-40.6-179.6-75.3166.1000113.2V525 L526 F529 S546 Y547 S552 L553 S554 L744 F748V525-L550 HydrophobicContact CB-CD2 4.06Å; V525-L550 HydrophobicContact CG1-CD1 3.96Å; V525-L550 HydrophobicContact CG1-CD2 3.62Å; V525-L550 HydrophobicContact CG1-CG 4.47Å; L526-L550 HydrophobicContact CB-CB 4.15Å; L526-L550 HydrophobicContact CB-CD1 4.18Å; L526-L550 HydrophobicContact CD1-CB 4.14Å; L526-L550 HydrophobicContact CD1-CD1 4.15Å; F529-L550 HydrophobicContact CG-CD1 4.36Å; S546-L550 WeakPolarHBondContact O-CB 3.42Å; S546-L550 WeakPolarHBondContact O-CG 3.36Å; S546-L550 PolarHBondContact O-N 3.14Å; Y547-L550 PolarHBondContact O-N 3.22Å; L550-S552 VanDerWaalsContact C-N 3.32Å; L550-L553 PolarHBondContact O-N 3.42Å; L550-S554 PolarHBondContact O-N 3.32Å; L550-L744 HydrophobicContact CD2-CD1 3.85Å; L550-F748 HydrophobicContact CD1-CD1 4.13Å; L550-F748 HydrophobicContact CD1-CE1 3.67Å; L550-F748 HydrophobicContact CD1-CZ 4.04Å; L550-F748 HydrophobicContact CD2-CD1 4.01Å; L550-F748 HydrophobicContact CD2-CD2 3.8Å; L550-F748 HydrophobicContact CD2-CE1 3.9Å; L550-F748 HydrophobicContact CD2-CE2 3.68Å; L550-F748 HydrophobicContact CD2-CG 3.96Å; L550-F748 HydrophobicContact CD2-CZ 3.73Å; L550-F748 HydrophobicContact CG-CD1 4.24Å; L550-F748 HydrophobicContact CG-CD2 4.5Å; L550-F748 HydrophobicContact CG-CE1 3.67Å; L550-F748 HydrophobicContact CG-CE2 3.95Å; L550-F748 HydrophobicContact CG-CZ 3.5Å
551I93.9Very high90.2Very high82 Ų8228.5 Ų28.542%0.42114%0.143SC..Hα-helixtrans-61.6-46.3173.7-67.4167.9000109.4L526 Y547 L553 S554 L555L526-I551 HydrophobicContact CD2-CD1 4.47Å; L526-I551 HydrophobicContact CD2-CG1 3.7Å; Y547-I551 WeakPolarHBondContact O-CB 3.14Å; Y547-I551 VanDerWaalsContact O-CG1 3.26Å; Y547-I551 WeakPolarHBondContact O-CG1 3.45Å; Y547-I551 PolarHBondContact O-N 2.81Å; I551-L553 PolarHBondContact O-N 3.03Å; I551-S554 PolarHBondContact O-N 2.84Å; I551-L555 HydrophobicContact CG2-CD1 4.17Å; I551-L555 WeakPolarHBondContact O-CG 3.38Å; I551-L555 PolarHBondContact O-N 2.85Å
552S95.1Very high91.3Very high4 Ų430.7 Ų30.73%0.02815%0.154CC..Hα-helixtrans-62-43.2177.9-166.50000112.4F548 L549 L550 S554 L555 C556 V582 A586F548-S552 WeakPolarHBondContact O-CB 3.48Å; F548-S552 PolarHBondContact O-N 2.76Å; L549-S552 PolarHBondContact O-N 2.92Å; L550-S552 VanDerWaalsContact C-N 3.32Å; S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact O-N 3.12Å; S552-L555 CarbonylContact O-C 3.27Å; S552-L555 PolarHBondContact O-N 2.94Å; S552-C556 WeakPolarHBondContact O-CB 3.46Å; S552-C556 PolarHBondContact O-N 3.41Å; S552-C556 PolarHBondContact O-SG 3.1Å; S552-V582 WeakPolarHBondContact O-CG1 3.49Å; S552-V582 PolarHBondContact OG-O 3Å; S552-A586 PolarHBondContact OG-N 2.74Å
553L94.4Very high91.8Very high1 Ų129.6 Ų29.61%0.00515%0.148CC..Hα-helixtrans-66.1-34.8177.9-71.7171.1000112.5L549 L550 I551 C556 A557 A586 T740 L743 L744 F748L549-L553 HydrophobicContact CD1-CD1 4.07Å; L549-L553 HydrophobicContact CD1-CG 4.12Å; L549-L553 HydrophobicContact CG-CD1 4Å; L549-L553 HydrophobicContact CG-CG 4.46Å; L549-L553 WeakPolarHBondContact O-CB 3.31Å; L549-L553 VanDerWaalsContact O-CG 3.22Å; L549-L553 WeakPolarHBondContact O-CG 3.4Å; L549-L553 PolarHBondContact O-N 3.28Å; L550-L553 PolarHBondContact O-N 3.42Å; I551-L553 PolarHBondContact O-N 3.03Å; L553-C556 WeakPolarHBondContact O-CB 3.4Å; L553-C556 PolarHBondContact O-N 3.25Å; L553-A557 PolarHBondContact O-N 3.12Å; L553-A557 VanDerWaalsContact O-N 3.07Å; L553-A586 HydrophobicContact CD2-CB 4.49Å; L553-T740 HydrophobicContact CB-CG2 4.28Å; L553-T740 HydrophobicContact CD2-CG2 4.05Å; L553-T740 VanDerWaalsContact O-CG2 3.3Å; L553-T740 WeakPolarHBondContact O-CG2 3.49Å; L553-L743 HydrophobicContact CD1-CB 4.31Å; L553-L743 HydrophobicContact CD2-CB 3.72Å; L553-L743 HydrophobicContact CD2-CD1 3.91Å; L553-L743 HydrophobicContact CD2-CG 4.48Å; L553-L744 HydrophobicContact CD1-CB 4.25Å; L553-L744 HydrophobicContact CD1-CD1 4.33Å; L553-F748 HydrophobicContact CD1-CE2 4.05Å
554S94.9Very high92.2Very high14 Ų1427.2 Ų27.210%0.09814%0.14CC..Hα-helixtrans-62.9-46.1171.7-1770000111.1V523 L550 I551 S552 C556 A557 L558V523-S554 WeakPolarHBondContact CG2-OG 3.32Å; L550-S554 PolarHBondContact O-N 3.32Å; I551-S554 PolarHBondContact O-N 2.84Å; S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact O-N 3.12Å; S554-C556 PolarHBondContact O-N 3.12Å; S554-A557 PolarHBondContact O-N 2.96Å; S554-L558 WeakPolarHBondContact O-CG 3.46Å; S554-L558 PolarHBondContact O-N 3.07Å
555L95.1Very high92.3Very high86 Ų8624.9 Ų24.945%0.4513%0.129SC..Hα-helixtrans-66.2-34.2175.9-67173.9000112.7I551 S552 A557 L558 C559 V582I551-L555 HydrophobicContact CG2-CD1 4.17Å; I551-L555 WeakPolarHBondContact O-CG 3.38Å; I551-L555 PolarHBondContact O-N 2.85Å; S552-L555 CarbonylContact O-C 3.27Å; S552-L555 PolarHBondContact O-N 2.94Å; L555-A557 VanDerWaalsContact C-N 3.34Å; L555-L558 PolarHBondContact O-N 3.13Å; L555-C559 WeakPolarHBondContact O-CB 3.23Å; L555-C559 PolarHBondContact O-N 3.48Å; L555-V582 HydrophobicContact CB-CG1 3.54Å; L555-V582 HydrophobicContact CB-CG2 4.21Å
556C94.5Very high92.4Very high0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-61.6-41173.1-74.10000111.5S552 L553 S554 C559 V582 F583 I736 T740S552-C556 WeakPolarHBondContact O-CB 3.46Å; S552-C556 PolarHBondContact O-N 3.41Å; S552-C556 PolarHBondContact O-SG 3.1Å; L553-C556 WeakPolarHBondContact O-CB 3.4Å; L553-C556 PolarHBondContact O-N 3.25Å; S554-C556 PolarHBondContact O-N 3.12Å; C556-C559 PolarHBondContact O-SG 2.9Å; C556-V582 HydrophobicContact CB-CG1 4.42Å; C556-V582 VanDerWaalsContact SG-CG1 3.53Å; C556-F583 HydrophobicContact CB-CD2 4.1Å; C556-F583 HydrophobicContact CB-CE2 3.5Å; C556-F583 VanDerWaalsContact CB-CE2 3.5Å; C556-F583 HydrophobicContact CB-CZ 4.02Å; C556-F583 WeakPolarHBondContact SG-CD2 3.36Å; C556-F583 WeakPolarHBondContact SG-CE2 3.15Å; C556-I736 VanDerWaalsContact O-CG2 3.26Å; C556-I736 WeakPolarHBondContact O-CG2 3.27Å; C556-T740 HydrophobicContact CB-CG2 4.09Å; C556-T740 WeakPolarHBondContact CB-OG1 3.19Å
557A94.6Very high92.3Very high0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-68.8-42.6175.700000111.2A515 L518 A519 L553 S554 L555 C559 A560 T740A515-A557 WeakPolarHBondContact CB-O 3.41Å; L518-A557 HydrophobicContact CB-CB 4.03Å; A519-A557 HydrophobicContact CB-CB 3.85Å; L553-A557 PolarHBondContact O-N 3.12Å; L553-A557 VanDerWaalsContact O-N 3.07Å; S554-A557 PolarHBondContact O-N 2.96Å; L555-A557 VanDerWaalsContact C-N 3.34Å; A557-C559 VanDerWaalsContact C-N 3.35Å; A557-C559 PolarHBondContact O-N 3.28Å; A557-A560 WeakPolarHBondContact O-CB 3.31Å; A557-A560 PolarHBondContact O-N 3.49Å; A557-T740 HydrophobicContact CB-CG2 4.2Å
558L94.6Very high92.2Very high64 Ų6431.5 Ų31.534%0.33517%0.165SC..Hα-helixtrans-68.7-28.8179.3-68.4173000113.5L516 A519 S554 L555 A560 L561L516-L558 HydrophobicContact CD2-CD2 4.15Å; A519-L558 HydrophobicContact CB-CD2 3.86Å; A519-L558 HydrophobicContact CB-CG 3.82Å; S554-L558 WeakPolarHBondContact O-CG 3.46Å; S554-L558 PolarHBondContact O-N 3.07Å; L555-L558 PolarHBondContact O-N 3.13Å; L558-A560 PolarHBondContact O-N 2.71Å; L558-L561 HydrophobicContact CD2-CD1 4.17Å; L558-L561 WeakPolarHBondContact O-CB 3.4Å; L558-L561 PolarHBondContact O-N 3.29Å
559C94.4Very high92Very high3 Ų332 Ų322%0.0218%0.175CC..Hα-helixtrans-65.4-22.8-179.778.50000112.8L555 C556 A557 L561 L562 F563 T578L555-C559 WeakPolarHBondContact O-CB 3.23Å; L555-C559 PolarHBondContact O-N 3.48Å; C556-C559 PolarHBondContact O-SG 2.9Å; A557-C559 VanDerWaalsContact C-N 3.35Å; A557-C559 PolarHBondContact O-N 3.28Å; C559-L561 PolarHBondContact O-N 3.37Å; C559-L562 WeakPolarHBondContact O-CB 3.44Å; C559-L562 PolarHBondContact O-N 2.94Å; C559-F563 WeakPolarHBondContact O-CD2 3.45Å; C559-T578 HydrophobicContact CB-CG2 3.98Å
560A93.3Very high91.8Very high1 Ų136.2 Ų36.21%0.00820%0.201CC..G310 helixtrans-56.4-29.6171.600000112.9A515 A557 L558 L562 F563 I733 L737A515-A560 HydrophobicContact CB-CB 4.16Å; A557-A560 WeakPolarHBondContact O-CB 3.31Å; A557-A560 PolarHBondContact O-N 3.49Å; L558-A560 PolarHBondContact O-N 2.71Å; A560-L562 VanDerWaalsContact C-N 3.25Å; A560-L562 PolarHBondContact O-N 3.46Å; A560-F563 PolarHBondContact O-N 3.22Å; A560-I733 HydrophobicContact CB-CG2 3.93Å; A560-L737 HydrophobicContact CB-CD2 4.03Å; A560-L737 HydrophobicContact CB-CG 4.34Å
561L92.6Very high91.6Very high49 Ų4937.8 Ų37.826%0.25721%0.21SC..G310 helixtrans-68.5-23.2178.7-59177.3000112.9A512 A515 L516 L558 C559 F563 L564A512-L561 HydrophobicContact CB-CD2 3.97Å; A515-L561 HydrophobicContact CB-CD2 4.27Å; L516-L561 HydrophobicContact CD2-CD1 4.06Å; L558-L561 HydrophobicContact CD2-CD1 4.17Å; L558-L561 WeakPolarHBondContact O-CB 3.4Å; L558-L561 PolarHBondContact O-N 3.29Å; C559-L561 PolarHBondContact O-N 3.37Å; L561-F563 PolarHBondContact O-N 3.39Å; L561-L564 HydrophobicContact CD2-CD1 4.16Å; L561-L564 PolarHBondContact O-N 3.4Å
562L91.5Very high91.4Very high52 Ų5233.9 Ų33.927%0.27219%0.19SC..G310 helixtrans-69.7-18.4176.3-62.8174.1000112.9C559 A560 L574 R575 T578C559-L562 WeakPolarHBondContact O-CB 3.44Å; C559-L562 PolarHBondContact O-N 2.94Å; A560-L562 VanDerWaalsContact C-N 3.25Å; A560-L562 PolarHBondContact O-N 3.46Å; L562-L574 HydrophobicContact CD1-CB 4.29Å; L562-R575 HydrophobicContact CB-CB 4.38Å; L562-T578 HydrophobicContact CD1-CG2 4.06Å
563F90.1Very high91.2Very high9 Ų936.1 Ų36.14%0.03920%0.202CC..G310 helixtrans-89.4-12.8179.2-67.7-101.7000112.4C559 A560 L561 R575 F579 V729 E732 I733 I736C559-F563 WeakPolarHBondContact O-CD2 3.45Å; A560-F563 PolarHBondContact O-N 3.22Å; L561-F563 PolarHBondContact O-N 3.39Å; F563-R575 HydrophobicContact CD1-CB 4.15Å; F563-R575 HydrophobicContact CD1-CG 4.21Å; F563-R575 HydrophobicContact CD2-CB 4.14Å; F563-R575 HydrophobicContact CE1-CB 3.85Å; F563-R575 HydrophobicContact CE1-CG 3.68Å; F563-R575 HydrophobicContact CE2-CB 3.84Å; F563-R575 HydrophobicContact CE2-CG 4.49Å; F563-R575 HydrophobicContact CG-CB 4.28Å; F563-R575 HydrophobicContact CZ-CB 3.7Å; F563-R575 HydrophobicContact CZ-CG 3.84Å; F563-F579 HydrophobicContact CE2-CB 4.48Å; F563-F579 HydrophobicContact CZ-CB 4.35Å; F563-V729 HydrophobicContact CB-CG1 3.84Å; F563-V729 HydrophobicContact CD1-CG1 4.33Å; F563-V729 WeakPolarHBondContact O-CG1 3.33Å; F563-E732 VanDerWaalsContact CD1-OE2 3.31Å; F563-E732 WeakPolarHBondContact CD1-OE2 3.35Å; F563-E732 HydrophobicContact CE1-CB 4.42Å; F563-E732 WeakPolarHBondContact CE1-OE2 3.27Å; F563-I733 HydrophobicContact CB-CD1 3.72Å; F563-I733 HydrophobicContact CB-CG1 3.65Å; F563-I733 HydrophobicContact CG-CG1 4.22Å; F563-I736 HydrophobicContact CD2-CD1 4.49Å; F563-I736 HydrophobicContact CE2-CD1 3.89Å; F563-I736 HydrophobicContact CZ-CD1 4.1Å
564L89.6Confident91Very high12 Ų1240.1 Ų40.16%0.06322%0.222CC..SBendtrans-93.9144.7-179.3-75.3158.3000111.9L501 F503 A512 L561 I733L501-L564 HydrophobicContact CD2-CD2 3.71Å; L501-L564 HydrophobicContact CG-CD2 4.09Å; F503-L564 HydrophobicContact CD1-CB 4.14Å; F503-L564 HydrophobicContact CD1-CD1 4.39Å; F503-L564 HydrophobicContact CD2-CB 4.35Å; F503-L564 HydrophobicContact CE1-CB 3.56Å; F503-L564 HydrophobicContact CE1-CD1 3.92Å; F503-L564 HydrophobicContact CE1-CG 4.33Å; F503-L564 HydrophobicContact CE2-CB 3.8Å; F503-L564 WeakPolarHBondContact CE2-O 3.5Å; F503-L564 HydrophobicContact CZ-CB 3.36Å; A512-L564 HydrophobicContact CB-CD1 3.88Å; L561-L564 HydrophobicContact CD2-CD1 4.16Å; L561-L564 PolarHBondContact O-N 3.4Å; L564-I733 HydrophobicContact CD2-CD1 4.27Å; L564-I733 HydrophobicContact CG-CD1 3.98Å
565G86.5Confident90.8Very high13 Ų1340 Ų4013%0.13422%0.22CC..SBendtrans91.3-172.3178.300000114.1L501 P567L501-G565 PolarHBondContact O-N 2.8Å; G565-P567 WeakPolarHBondContact O-CD 3.24Å
566K87.6Confident90.6Very high109 Ų10936.4 Ų36.447%0.47420%0.201SC..SBendtrans-68.2123.7-175-172.2169.5-170.9157.80110.6E498 F500 T568E498-K566 IonicContact OE2-NZ 2.66Å; E498-K566 PolarHBondContact OE2-NZ 3.4Å; F500-K566 HydrophobicContact CE2-CB 4.3Å; F500-K566 HydrophobicContact CZ-CB 4.34Å; K566-T568 PolarHBondContact O-N 2.95Å
567P87.7Confident90.5Very high20 Ų2037.1 Ų37.113%0.1321%0.205CC..  trans-60.4124.7175.4-24.835.5000111.2G565 I658G565-P567 WeakPolarHBondContact O-CD 3.24Å; P567-I658 HydrophobicContact CB-CG2 4.08Å; P567-I658 HydrophobicContact CG-CG2 3.87Å
568T87.9Confident90.4Very high60 Ų6039.2 Ų39.237%0.36822%0.218SC..  trans-118.6166.1173.359.90000108.4K566 T570 T571 C572K566-T568 PolarHBondContact O-N 2.95Å; T568-T570 PolarHBondContact O-N 3.49Å; T568-T570 PolarHBondContact OG1-OG1 3.1Å; T568-T570 VanDerWaalsContact OG1-OG1 3.08Å; T568-T571 PolarHBondContact N-OG1 2.93Å; T568-T571 PolarHBondContact O-N 2.9Å; T568-T571 PolarHBondContact O-OG1 3.39Å; T568-T571 WeakPolarHBondContact OG1-CG2 3.4Å; T568-T571 PolarHBondContact OG1-N 2.77Å; T568-T571 PolarHBondContact OG1-OG1 2.72Å; T568-T571 VanDerWaalsContact OG1-OG1 3.07Å; T568-C572 WeakPolarHBondContact O-CB 3.5Å; T568-C572 PolarHBondContact O-N 2.98Å; T568-C572 PolarHBondContact O-SG 3.33Å
569V87.5Confident90.3Very high91 Ų9136.2 Ų36.255%0.55220%0.202SC*.Hα-helixtrans-54.7-42.1176.5-178.70000110.8C572 L573 P645V569-C572 WeakPolarHBondContact O-CB 3.39Å; V569-L573 HydrophobicContact CG1-CD1 4.11Å; V569-L573 WeakPolarHBondContact O-CD1 3.38Å; V569-L573 VanDerWaalsContact O-CG 3.22Å; V569-L573 WeakPolarHBondContact O-CG 3.37Å; V569-L573 PolarHBondContact O-N 3.48Å; V569-P645 HydrophobicContact CG2-CG 4.15Å
570T87.9Confident90.3Very high90 Ų9036.1 Ų36.155%0.55220%0.202SC*.Hα-helixtrans-69.2-45.6-179.852.60000112.7T568 C572 L573 L574T568-T570 PolarHBondContact O-N 3.49Å; T568-T570 PolarHBondContact OG1-OG1 3.1Å; T568-T570 VanDerWaalsContact OG1-OG1 3.08Å; T570-C572 VanDerWaalsContact C-N 3.3Å; T570-C572 PolarHBondContact O-N 3.39Å; T570-L573 PolarHBondContact O-N 3.4Å; T570-L574 WeakPolarHBondContact O-CB 3.4Å; T570-L574 WeakPolarHBondContact O-CG 3.33Å; T570-L574 PolarHBondContact O-N 2.86Å
571T89.3Confident90.4Very high34 Ų3437.9 Ų37.921%0.20921%0.212CC..Hα-helixtrans-67.6-33.1178.858.90000111.9T568 L574 R575T568-T571 PolarHBondContact N-OG1 2.93Å; T568-T571 PolarHBondContact O-N 2.9Å; T568-T571 PolarHBondContact O-OG1 3.39Å; T568-T571 WeakPolarHBondContact OG1-CG2 3.4Å; T568-T571 PolarHBondContact OG1-N 2.77Å; T568-T571 PolarHBondContact OG1-OG1 2.72Å; T568-T571 VanDerWaalsContact OG1-OG1 3.07Å; T571-L574 PolarHBondContact O-N 3.15Å; T571-R575 WeakPolarHBondContact O-CB 3.37Å; T571-R575 PolarHBondContact O-N 3.05Å
572C90.1Very high90.5Very high0 Ų036.4 Ų36.40%021%0.205CC..Hα-helixtrans-57.5-50.1171-880000113.3T568 V569 T570 R575 P643 C660T568-C572 WeakPolarHBondContact O-CB 3.5Å; T568-C572 PolarHBondContact O-N 2.98Å; T568-C572 PolarHBondContact O-SG 3.33Å; V569-C572 WeakPolarHBondContact O-CB 3.39Å; T570-C572 VanDerWaalsContact C-N 3.3Å; T570-C572 PolarHBondContact O-N 3.39Å; C572-R575 PolarHBondContact SG-NH2 2.97Å; C572-P643 HydrophobicContact CB-CB 4.45Å; C572-C660 WeakPolarHBondContact CA-SG 3.41Å; C572-C660 HydrophobicContact CB-CB 4.38Å; C572-C660 WeakPolarHBondContact CB-SG 3.46Å; C572-C660 WeakPolarHBondContact SG-CB 3.42Å; C572-C660 CovalentContact SG-SG 2.01Å; C572-C660 PolarHBondContact SG-SG 3.32Å
573L90.3Very high90.6Very high51 Ų5133.9 Ų33.927%0.26719%0.192SC..Hα-helixtrans-67.3-38.7-179.9-64166000112.3V569 T570 T577 L638 P642V569-L573 HydrophobicContact CG1-CD1 4.11Å; V569-L573 WeakPolarHBondContact O-CD1 3.38Å; V569-L573 VanDerWaalsContact O-CG 3.22Å; V569-L573 WeakPolarHBondContact O-CG 3.37Å; V569-L573 PolarHBondContact O-N 3.48Å; T570-L573 PolarHBondContact O-N 3.4Å; L573-T577 WeakPolarHBondContact O-CG2 3.36Å; L573-T577 PolarHBondContact O-OG1 3.05Å; L573-L638 HydrophobicContact CB-CD2 4.46Å; L573-L638 HydrophobicContact CD2-CD2 3.8Å; L573-P642 HydrophobicContact CD2-CB 3.78Å
574L90.3Very high90.9Very high84 Ų8433.5 Ų33.544%0.4419%0.19SC..Hα-helixtrans-83.4-29.7-171.3-70.4173.5000114.3L562 T570 T571 Q576 T577 T578L562-L574 HydrophobicContact CD1-CB 4.29Å; T570-L574 WeakPolarHBondContact O-CB 3.4Å; T570-L574 WeakPolarHBondContact O-CG 3.33Å; T570-L574 PolarHBondContact O-N 2.86Å; T571-L574 PolarHBondContact O-N 3.15Å; L574-Q576 PolarHBondContact O-N 3.25Å; L574-T577 WeakPolarHBondContact CA-OG1 3.31Å; L574-T577 PolarHBondContact O-OG1 2.92Å; L574-T578 WeakPolarHBondContact O-CB 3.35Å; L574-T578 PolarHBondContact O-N 3.27Å; L574-T578 PolarHBondContact O-OG1 3.02Å
575R91.4Very high91.1Very high13 Ų1334.4 Ų34.45%0.04920%0.196CC..Hα-helixtrans-56.9-58-170.685-177.476.5-160.8-17.4112.6L562 F563 T571 C572 F579 C660L562-R575 HydrophobicContact CB-CB 4.38Å; F563-R575 HydrophobicContact CD1-CB 4.15Å; F563-R575 HydrophobicContact CD1-CG 4.21Å; F563-R575 HydrophobicContact CD2-CB 4.14Å; F563-R575 HydrophobicContact CE1-CB 3.85Å; F563-R575 HydrophobicContact CE1-CG 3.68Å; F563-R575 HydrophobicContact CE2-CB 3.84Å; F563-R575 HydrophobicContact CE2-CG 4.49Å; F563-R575 HydrophobicContact CG-CB 4.28Å; F563-R575 HydrophobicContact CZ-CB 3.7Å; F563-R575 HydrophobicContact CZ-CG 3.84Å; T571-R575 WeakPolarHBondContact O-CB 3.37Å; T571-R575 PolarHBondContact O-N 3.05Å; C572-R575 PolarHBondContact SG-NH2 2.97Å; R575-F579 VanDerWaalsContact O-CB 3.27Å; R575-F579 WeakPolarHBondContact O-CB 3.3Å; R575-F579 PolarHBondContact O-N 3.39Å; R575-F579 VanDerWaalsContact O-N 3.12Å; R575-C660 PolarHBondContact NH2-SG 3.08Å
576Q91Very high91.5Very high10 Ų1033.8 Ų33.85%0.04719%0.19CC..Hα-helixtrans-81.1-33-169.6-67.3-59.8-2.400110.2L574 A580 W637 F668 E732L574-Q576 PolarHBondContact O-N 3.25Å; Q576-A580 VanDerWaalsContact O-CB 3.26Å; Q576-A580 WeakPolarHBondContact O-CB 3.09Å; Q576-A580 PolarHBondContact O-N 2.69Å; Q576-W637 HydrophobicContact CB-CH2 3.57Å; Q576-W637 HydrophobicContact CB-CZ3 3.7Å; Q576-W637 HydrophobicContact CG-CH2 3.95Å; Q576-F668 HydrophobicContact CG-CE2 3.97Å; Q576-E732 PolarHBondContact NE2-OE1 3.36Å
577T91.8Very high91.8Very high15 Ų1528.6 Ų28.69%0.09217%0.167CC..Hα-helixtrans-70.9-44.1179.256.20000111.7L573 L574 A580 V581 C634 W637 L638L573-T577 WeakPolarHBondContact O-CG2 3.36Å; L573-T577 PolarHBondContact O-OG1 3.05Å; L574-T577 WeakPolarHBondContact CA-OG1 3.31Å; L574-T577 PolarHBondContact O-OG1 2.92Å; T577-A580 PolarHBondContact O-N 2.9Å; T577-V581 WeakPolarHBondContact O-CB 3.26Å; T577-V581 VanDerWaalsContact O-CG2 3.29Å; T577-V581 WeakPolarHBondContact O-CG2 3.41Å; T577-V581 PolarHBondContact O-N 2.7Å; T577-C634 HydrophobicContact CG2-CB 4.24Å; T577-W637 HydrophobicContact CG2-CE3 4.31Å; T577-W637 HydrophobicContact CG2-CZ3 4.26Å; T577-L638 HydrophobicContact CG2-CD1 4Å; T577-L638 HydrophobicContact CG2-CD2 3.88Å; T577-L638 HydrophobicContact CG2-CG 3.96Å
578T93Very high92.1Very high43 Ų4327.7 Ų27.726%0.26416%0.161SC..Hα-helixtrans-63.9-47.3174.4-54.50000110.3C559 L562 L574 A580 V582C559-T578 HydrophobicContact CB-CG2 3.98Å; L562-T578 HydrophobicContact CD1-CG2 4.06Å; L574-T578 WeakPolarHBondContact O-CB 3.35Å; L574-T578 PolarHBondContact O-N 3.27Å; L574-T578 PolarHBondContact O-OG1 3.02Å; T578-A580 PolarHBondContact O-N 3.17Å; T578-V582 HydrophobicContact CG2-CG2 4.04Å; T578-V582 WeakPolarHBondContact O-CB 3.49Å; T578-V582 WeakPolarHBondContact O-CG2 3.22Å; T578-V582 PolarHBondContact O-N 3.12Å
579F93.5Very high92.3Very high2 Ų224.9 Ų24.91%0.00914%0.144CC..Hα-helixtrans-52.4-55174.9161.3-108.8000111.3F563 R575 V581 F583 L672 L675 W713 I736F563-F579 HydrophobicContact CE2-CB 4.48Å; F563-F579 HydrophobicContact CZ-CB 4.35Å; R575-F579 VanDerWaalsContact O-CB 3.27Å; R575-F579 WeakPolarHBondContact O-CB 3.3Å; R575-F579 PolarHBondContact O-N 3.39Å; R575-F579 VanDerWaalsContact O-N 3.12Å; F579-V581 PolarHBondContact O-N 2.79Å; F579-F583 AromaticContact CD2-CD2 3.4Å; F579-F583 HydrophobicContact CD2-CD2 3.4Å; F579-F583 AromaticContact CD2-CE2 3.65Å; F579-F583 HydrophobicContact CD2-CE2 3.65Å; F579-F583 HydrophobicContact CD2-CG 4.04Å; F579-F583 HydrophobicContact CD2-CZ 4.46Å; F579-F583 HydrophobicContact CE2-CB 4.2Å; F579-F583 AromaticContact CE2-CD1 3.95Å; F579-F583 HydrophobicContact CE2-CD1 3.95Å; F579-F583 AromaticContact CE2-CD2 3.33Å; F579-F583 HydrophobicContact CE2-CD2 3.33Å; F579-F583 HydrophobicContact CE2-CE1 4.16Å; F579-F583 AromaticContact CE2-CE2 3.59Å; F579-F583 HydrophobicContact CE2-CE2 3.59Å; F579-F583 AromaticContact CE2-CG 3.54Å; F579-F583 HydrophobicContact CE2-CG 3.54Å; F579-F583 HydrophobicContact CE2-CZ 4.01Å; F579-F583 HydrophobicContact CZ-CD2 4.44Å; F579-F583 HydrophobicContact CZ-CG 4.3Å; F579-F583 WeakPolarHBondContact O-CB 3.45Å; F579-F583 WeakPolarHBondContact O-CD2 3.39Å; F579-F583 PolarHBondContact O-N 2.97Å; F579-L672 HydrophobicContact CE1-CD2 3.79Å; F579-L675 HydrophobicContact CE1-CD2 4.2Å; F579-L675 HydrophobicContact CZ-CD2 3.86Å; F579-W713 HydrophobicContact CD2-CH2 4.47Å; F579-W713 AromaticContact CE1-CH2 3.83Å; F579-W713 HydrophobicContact CE1-CH2 3.83Å; F579-W713 HydrophobicContact CE1-CZ2 4.44Å; F579-W713 HydrophobicContact CE1-CZ3 4.27Å; F579-W713 AromaticContact CE2-CH2 3.39Å; F579-W713 HydrophobicContact CE2-CH2 3.39Å; F579-W713 AromaticContact CE2-CZ2 3.36Å; F579-W713 HydrophobicContact CE2-CZ2 3.36Å; F579-W713 AromaticContact CZ-CH2 3Å; F579-W713 HydrophobicContact CZ-CH2 3Å; F579-W713 AromaticContact CZ-CZ2 3.26Å; F579-W713 HydrophobicContact CZ-CZ2 3.26Å; F579-W713 AromaticContact CZ-CZ3 3.75Å; F579-W713 HydrophobicContact CZ-CZ3 3.75Å; F579-I736 HydrophobicContact CD2-CD1 3.67Å; F579-I736 HydrophobicContact CD2-CG1 3.64Å; F579-I736 HydrophobicContact CE2-CD1 4.26Å; F579-I736 HydrophobicContact CE2-CG1 3.76Å; F579-I736 HydrophobicContact CG-CD1 4.16Å
580A93.7Very high92.5Very high1 Ų120.5 Ų20.51%0.00812%0.118CC..Hα-helixtrans-66.2-41.3-17400000113.1Q576 T577 T578 T584 V671Q576-A580 VanDerWaalsContact O-CB 3.26Å; Q576-A580 WeakPolarHBondContact O-CB 3.09Å; Q576-A580 PolarHBondContact O-N 2.69Å; T577-A580 PolarHBondContact O-N 2.9Å; T578-A580 PolarHBondContact O-N 3.17Å; A580-T584 WeakPolarHBondContact O-CB 3.16Å; A580-T584 PolarHBondContact O-N 3.14Å; A580-T584 PolarHBondContact O-OG1 2.71Å; A580-V671 HydrophobicContact CB-CG1 3.74Å
581V94.7Very high92.7Very high38 Ų3817.5 Ų17.523%0.2310%0.098CC..Hα-helixtrans-67-49.5178.7171.90000111.1T577 F579 T584 V585 Q630 V631T577-V581 WeakPolarHBondContact O-CB 3.26Å; T577-V581 VanDerWaalsContact O-CG2 3.29Å; T577-V581 WeakPolarHBondContact O-CG2 3.41Å; T577-V581 PolarHBondContact O-N 2.7Å; F579-V581 PolarHBondContact O-N 2.79Å; V581-T584 WeakPolarHBondContact O-CB 3.12Å; V581-T584 PolarHBondContact O-N 2.87Å; V581-V585 PolarHBondContact O-N 2.76Å; V581-V585 VanDerWaalsContact O-N 3.11Å; V581-Q630 HydrophobicContact CG2-CG 4.16Å; V581-V631 HydrophobicContact CG1-CG2 4.16Å; V581-V631 HydrophobicContact CG2-CG2 4.06Å
582V95.3Very high92.7Very high17 Ų1715.9 Ų15.910%0.1039%0.088CC..Hα-helixtrans-67.3-42-177-177.60000110.6S552 L555 C556 T578 T584 V585 A586S552-V582 WeakPolarHBondContact O-CG1 3.49Å; S552-V582 PolarHBondContact OG-O 3Å; L555-V582 HydrophobicContact CB-CG1 3.54Å; L555-V582 HydrophobicContact CB-CG2 4.21Å; C556-V582 HydrophobicContact CB-CG1 4.42Å; C556-V582 VanDerWaalsContact SG-CG1 3.53Å; T578-V582 HydrophobicContact CG2-CG2 4.04Å; T578-V582 WeakPolarHBondContact O-CB 3.49Å; T578-V582 WeakPolarHBondContact O-CG2 3.22Å; T578-V582 PolarHBondContact O-N 3.12Å; V582-T584 VanDerWaalsContact C-N 3.28Å; V582-T584 PolarHBondContact O-N 2.96Å; V582-V585 PolarHBondContact O-N 2.78Å; V582-A586 PolarHBondContact O-N 2.82Å; V582-A586 VanDerWaalsContact O-N 3.08Å
583F93.6Very high92.4Very high0 Ų016.2 Ų16.20%09%0.09CC..Hα-helixtrans-63.9-33174.5-91-106.5000113C556 F579 A586 V587 L675 F709 W713 I736C556-F583 HydrophobicContact CB-CD2 4.1Å; C556-F583 HydrophobicContact CB-CE2 3.5Å; C556-F583 VanDerWaalsContact CB-CE2 3.5Å; C556-F583 HydrophobicContact CB-CZ 4.02Å; C556-F583 WeakPolarHBondContact SG-CD2 3.36Å; C556-F583 WeakPolarHBondContact SG-CE2 3.15Å; F579-F583 AromaticContact CD2-CD2 3.4Å; F579-F583 HydrophobicContact CD2-CD2 3.4Å; F579-F583 AromaticContact CD2-CE2 3.65Å; F579-F583 HydrophobicContact CD2-CE2 3.65Å; F579-F583 HydrophobicContact CD2-CG 4.04Å; F579-F583 HydrophobicContact CD2-CZ 4.46Å; F579-F583 HydrophobicContact CE2-CB 4.2Å; F579-F583 AromaticContact CE2-CD1 3.95Å; F579-F583 HydrophobicContact CE2-CD1 3.95Å; F579-F583 AromaticContact CE2-CD2 3.33Å; F579-F583 HydrophobicContact CE2-CD2 3.33Å; F579-F583 HydrophobicContact CE2-CE1 4.16Å; F579-F583 AromaticContact CE2-CE2 3.59Å; F579-F583 HydrophobicContact CE2-CE2 3.59Å; F579-F583 AromaticContact CE2-CG 3.54Å; F579-F583 HydrophobicContact CE2-CG 3.54Å; F579-F583 HydrophobicContact CE2-CZ 4.01Å; F579-F583 HydrophobicContact CZ-CD2 4.44Å; F579-F583 HydrophobicContact CZ-CG 4.3Å; F579-F583 WeakPolarHBondContact O-CB 3.45Å; F579-F583 WeakPolarHBondContact O-CD2 3.39Å; F579-F583 PolarHBondContact O-N 2.97Å; F583-A586 PolarHBondContact O-N 2.84Å; F583-V587 WeakPolarHBondContact O-CG2 3.4Å; F583-V587 PolarHBondContact O-N 2.99Å; F583-L675 HydrophobicContact CB-CD1 4.05Å; F583-L675 HydrophobicContact CB-CD2 3.96Å; F583-F709 AromaticContact CD1-CE2 3.54Å; F583-F709 HydrophobicContact CD1-CE2 3.54Å; F583-F709 AromaticContact CD1-CZ 3.82Å; F583-F709 HydrophobicContact CD1-CZ 3.82Å; F583-F709 AromaticContact CE1-CE2 3.63Å; F583-F709 HydrophobicContact CE1-CE2 3.63Å; F583-F709 HydrophobicContact CE1-CZ 4.27Å; F583-W713 HydrophobicContact CE1-CZ2 4.27Å; F583-I736 HydrophobicContact CE2-CG1 4.47Å; F583-I736 HydrophobicContact CE2-CG2 3.86Å; F583-I736 HydrophobicContact CZ-CB 4.39Å; F583-I736 HydrophobicContact CZ-CG2 3.98Å
584T95.5Very high92.2Very high0 Ų013.9 Ų13.90%08%0.077CC..Hα-helixtrans-63.2-42.7174.1-63.10000111.5A580 V581 V582 A586 S588 A626 Q630 Y674 L678A580-T584 WeakPolarHBondContact O-CB 3.16Å; A580-T584 PolarHBondContact O-N 3.14Å; A580-T584 PolarHBondContact O-OG1 2.71Å; V581-T584 WeakPolarHBondContact O-CB 3.12Å; V581-T584 PolarHBondContact O-N 2.87Å; V582-T584 VanDerWaalsContact C-N 3.28Å; V582-T584 PolarHBondContact O-N 2.96Å; T584-A586 VanDerWaalsContact C-N 3.31Å; T584-A586 PolarHBondContact O-N 3.05Å; T584-S588 WeakPolarHBondContact O-CB 3.47Å; T584-S588 PolarHBondContact O-N 3.19Å; T584-S588 PolarHBondContact O-OG 3.25Å; T584-A626 WeakPolarHBondContact CG2-O 3.14Å; T584-Q630 HydrophobicContact CG2-CB 3.9Å; T584-Q630 HydrophobicContact CG2-CG 4.4Å; T584-Q630 WeakPolarHBondContact OG1-CG 3.23Å; T584-Y674 HydrophobicContact CG2-CE1 4.18Å; T584-L678 HydrophobicContact CG2-CD2 3.93Å
585V94.9Very high91.9Very high32 Ų3212.7 Ų12.719%0.1947%0.071CC..Hα-helixtrans-61-42.5174.9177.20000110.4V581 V582 S588 S589 V623 S627V581-V585 PolarHBondContact O-N 2.76Å; V581-V585 VanDerWaalsContact O-N 3.11Å; V582-V585 PolarHBondContact O-N 2.78Å; V585-S588 PolarHBondContact O-OG 2.92Å; V585-S589 VanDerWaalsContact O-CB 3.25Å; V585-S589 WeakPolarHBondContact O-CB 3.28Å; V585-S589 PolarHBondContact O-N 3.33Å; V585-S589 PolarHBondContact O-OG 3.44Å; V585-V623 HydrophobicContact CG1-CG1 4.19Å; V585-S627 WeakPolarHBondContact CG2-OG 3.42Å
586A94.3Very high91.4Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-63.6-53.7178.700000111.9L549 S552 L553 V582 F583 T584 S589 V590L549-A586 HydrophobicContact CD1-CB 4.05Å; L549-A586 WeakPolarHBondContact CD1-O 3.47Å; S552-A586 PolarHBondContact OG-N 2.74Å; L553-A586 HydrophobicContact CD2-CB 4.49Å; V582-A586 PolarHBondContact O-N 2.82Å; V582-A586 VanDerWaalsContact O-N 3.08Å; F583-A586 PolarHBondContact O-N 2.84Å; T584-A586 VanDerWaalsContact C-N 3.31Å; T584-A586 PolarHBondContact O-N 3.05Å; A586-S589 WeakPolarHBondContact O-CB 3.44Å; A586-S589 PolarHBondContact O-N 3.27Å; A586-V590 WeakPolarHBondContact O-CG2 3.44Å; A586-V590 PolarHBondContact O-N 3.32Å; A586-V590 VanDerWaalsContact O-N 3.08Å
587V94.2Very high90.7Very high0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-66.2-42.2-177.9177.50000111.2F583 S589 V590 L591 L675 L678 A679 T682 M706 F709F583-V587 WeakPolarHBondContact O-CG2 3.4Å; F583-V587 PolarHBondContact O-N 2.99Å; V587-S589 VanDerWaalsContact C-N 3.31Å; V587-S589 PolarHBondContact O-N 2.97Å; V587-V590 WeakPolarHBondContact O-CB 3.17Å; V587-V590 PolarHBondContact O-N 2.78Å; V587-V590 VanDerWaalsContact O-N 3.16Å; V587-L591 PolarHBondContact O-N 3.02Å; V587-L675 HydrophobicContact CG2-CD1 4.38Å; V587-L678 HydrophobicContact CB-CD2 4.05Å; V587-L678 HydrophobicContact CB-CG 4.49Å; V587-L678 HydrophobicContact CG1-CB 4.43Å; V587-L678 HydrophobicContact CG1-CD2 3.93Å; V587-L678 HydrophobicContact CG1-CG 3.82Å; V587-A679 HydrophobicContact CG1-CB 4.31Å; V587-T682 HydrophobicContact CG1-CG2 4.48Å; V587-T682 WeakPolarHBondContact CG1-OG1 3.29Å; V587-M706 HydrophobicContact CG1-CE 4.41Å; V587-F709 HydrophobicContact CG2-CE1 4.15Å; V587-F709 HydrophobicContact CG2-CE2 4.04Å; V587-F709 HydrophobicContact CG2-CZ 3.69Å
588S94.3Very high89.9Confident0 Ų015.1 Ų15.10%09%0.088CC..Hα-helixtrans-66.4-31.8176.462.20000112.7T584 V585 V590 L591 A592T584-S588 WeakPolarHBondContact O-CB 3.47Å; T584-S588 PolarHBondContact O-N 3.19Å; T584-S588 PolarHBondContact O-OG 3.25Å; V585-S588 PolarHBondContact O-OG 2.92Å; S588-V590 VanDerWaalsContact C-N 3.35Å; S588-L591 PolarHBondContact O-N 2.9Å; S588-A592 WeakPolarHBondContact O-CB 3.29Å; S588-A592 PolarHBondContact O-N 2.97Å
589S92.1Very high89Confident1 Ų115.4 Ų15.41%0.0079%0.088CC..Hα-helixtrans-65.7-39.3171.9-62.90000111.4V585 A586 V587 K593V585-S589 VanDerWaalsContact O-CB 3.25Å; V585-S589 WeakPolarHBondContact O-CB 3.28Å; V585-S589 PolarHBondContact O-N 3.33Å; V585-S589 PolarHBondContact O-OG 3.44Å; A586-S589 WeakPolarHBondContact O-CB 3.44Å; A586-S589 PolarHBondContact O-N 3.27Å; V587-S589 VanDerWaalsContact C-N 3.31Å; V587-S589 PolarHBondContact O-N 2.97Å; S589-K593 WeakPolarHBondContact O-CB 3.46Å; S589-K593 PolarHBondContact O-N 2.84Å; S589-K593 VanDerWaalsContact O-N 3.08Å
590V91.7Very high88Confident0 Ų018.1 Ų18.10%011%0.11CC..Hα-helixtrans-64.4-43.5172.31770000110.8L549 A586 V587 S588 K593 T594 T682 L702 M706 L743 I747L549-V590 HydrophobicContact CD1-CG2 3.95Å; L549-V590 HydrophobicContact CD2-CG2 3.97Å; A586-V590 WeakPolarHBondContact O-CG2 3.44Å; A586-V590 PolarHBondContact O-N 3.32Å; A586-V590 VanDerWaalsContact O-N 3.08Å; V587-V590 WeakPolarHBondContact O-CB 3.17Å; V587-V590 PolarHBondContact O-N 2.78Å; V587-V590 VanDerWaalsContact O-N 3.16Å; S588-V590 VanDerWaalsContact C-N 3.35Å; V590-K593 WeakPolarHBondContact O-CB 3.38Å; V590-K593 PolarHBondContact O-N 2.93Å; V590-T594 HydrophobicContact CG1-CG2 4.3Å; V590-T594 WeakPolarHBondContact O-CG2 3.13Å; V590-T594 PolarHBondContact O-N 2.86Å; V590-T594 PolarHBondContact O-OG1 3.43Å; V590-T682 HydrophobicContact CB-CG2 4.05Å; V590-T682 HydrophobicContact CG1-CG2 3.6Å; V590-L702 HydrophobicContact CG1-CD1 3.67Å; V590-L702 HydrophobicContact CG1-CG 4.14Å; V590-M706 HydrophobicContact CB-SD 4.34Å; V590-M706 HydrophobicContact CG1-CG 3.95Å; V590-M706 HydrophobicContact CG1-SD 3.74Å; V590-L743 HydrophobicContact CG2-CD2 4.45Å; V590-I747 HydrophobicContact CG2-CD1 3.79Å
591L91.3Very high86.8Confident26 Ų2621.2 Ų21.214%0.13612%0.124CC..Hα-helixtrans-62.3-48.2176.5-177.661.6000112.8V587 S588 K593 T594 L595 L678 T682 V685V587-L591 PolarHBondContact O-N 3.02Å; S588-L591 PolarHBondContact O-N 2.9Å; L591-K593 PolarHBondContact O-N 3.34Å; L591-T594 WeakPolarHBondContact CA-OG1 3.47Å; L591-T594 PolarHBondContact O-N 3.31Å; L591-T594 PolarHBondContact O-OG1 3.43Å; L591-L595 HydrophobicContact CD1-CD1 4.14Å; L591-L595 HydrophobicContact CD1-CG 4.21Å; L591-L595 HydrophobicContact CG-CD1 4Å; L591-L595 HydrophobicContact CG-CG 4.47Å; L591-L595 WeakPolarHBondContact O-CB 3.19Å; L591-L595 VanDerWaalsContact O-CG 3.26Å; L591-L595 WeakPolarHBondContact O-CG 3.21Å; L591-L595 PolarHBondContact O-N 2.85Å; L591-L678 HydrophobicContact CD2-CD1 3.76Å; L591-T682 HydrophobicContact CB-CG2 4.1Å; L591-T682 WeakPolarHBondContact CB-OG1 3.11Å; L591-V685 HydrophobicContact CD1-CB 4.46Å; L591-V685 HydrophobicContact CD1-CG2 4.22Å
592A88.9Confident85.3Confident1 Ų128.2 Ų28.21%0.00815%0.146CC..Hα-helixtrans-58.1-37.9177.100000110.6L545 S588 T596 S619 V622 V623L545-A592 HydrophobicContact CD1-CB 4.02Å; L545-A592 HydrophobicContact CD2-CB 4Å; S588-A592 WeakPolarHBondContact O-CB 3.29Å; S588-A592 PolarHBondContact O-N 2.97Å; A592-T596 WeakPolarHBondContact O-CB 3.4Å; A592-T596 PolarHBondContact O-N 3.31Å; A592-T596 PolarHBondContact O-OG1 3.23Å; A592-S619 WeakPolarHBondContact CB-O 3.33Å; A592-V622 HydrophobicContact CB-CB 4.18Å; A592-V622 HydrophobicContact CB-CG1 4.32Å; A592-V623 HydrophobicContact CB-CG2 3.99Å
593K85.6Confident83.5Confident7 Ų730.2 Ų30.23%0.0316%0.158CC..Hα-helixtrans-72-45.7177.7-177.8173.3164.6175.60113.1N541 L545 S589 V590 L591 L595 T596 V597 E698N541-K593 WeakPolarHBondContact OD1-CE 3.38Å; N541-K593 PolarHBondContact OD1-NZ 2.87Å; L545-K593 HydrophobicContact CD1-CB 4.25Å; S589-K593 WeakPolarHBondContact O-CB 3.46Å; S589-K593 PolarHBondContact O-N 2.84Å; S589-K593 VanDerWaalsContact O-N 3.08Å; V590-K593 WeakPolarHBondContact O-CB 3.38Å; V590-K593 PolarHBondContact O-N 2.93Å; L591-K593 PolarHBondContact O-N 3.34Å; K593-L595 VanDerWaalsContact C-N 3.32Å; K593-L595 PolarHBondContact O-N 3.26Å; K593-T596 PolarHBondContact O-N 3.26Å; K593-V597 WeakPolarHBondContact O-CG2 3.36Å; K593-V597 PolarHBondContact O-N 3.36Å; K593-V597 VanDerWaalsContact O-N 3.11Å; K593-E698 WeakPolarHBondContact CE-OE1 3.37Å; K593-E698 IonicContact NZ-OE1 3.27Å; K593-E698 PolarHBondContact NZ-OE1 3.4Å
594T85.6Confident81.5Confident1 Ų136.4 Ų36.41%0.00620%0.196CC..Hα-helixtrans-59.4-44.4174.555.60000110.7V590 L591 T596 V597 V598 A686 L702V590-T594 HydrophobicContact CG1-CG2 4.3Å; V590-T594 WeakPolarHBondContact O-CG2 3.13Å; V590-T594 PolarHBondContact O-N 2.86Å; V590-T594 PolarHBondContact O-OG1 3.43Å; L591-T594 WeakPolarHBondContact CA-OG1 3.47Å; L591-T594 PolarHBondContact O-N 3.31Å; L591-T594 PolarHBondContact O-OG1 3.43Å; T594-T596 PolarHBondContact O-N 3.43Å; T594-V597 PolarHBondContact O-N 2.66Å; T594-V598 WeakPolarHBondContact O-CG2 3.41Å; T594-V598 PolarHBondContact O-N 3.01Å; T594-A686 HydrophobicContact CG2-CB 3.89Å; T594-L702 HydrophobicContact CG2-CD2 3.22Å; T594-L702 HydrophobicContact CG2-CG 3.7Å
595L84.3Confident79.1Confident59 Ų5946.8 Ų46.831%0.30924%0.236SC..Hα-helixtrans-62.4-42.8177.6-72.7172.5000112.1L591 K593 V597 V598 L599 V685L591-L595 HydrophobicContact CD1-CD1 4.14Å; L591-L595 HydrophobicContact CD1-CG 4.21Å; L591-L595 HydrophobicContact CG-CD1 4Å; L591-L595 HydrophobicContact CG-CG 4.47Å; L591-L595 WeakPolarHBondContact O-CB 3.19Å; L591-L595 VanDerWaalsContact O-CG 3.26Å; L591-L595 WeakPolarHBondContact O-CG 3.21Å; L591-L595 PolarHBondContact O-N 2.85Å; K593-L595 VanDerWaalsContact C-N 3.32Å; K593-L595 PolarHBondContact O-N 3.26Å; L595-V597 VanDerWaalsContact C-N 3.29Å; L595-V597 PolarHBondContact O-N 3.27Å; L595-V598 PolarHBondContact O-N 2.93Å; L595-L599 VanDerWaalsContact O-CB 3.29Å; L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 WeakPolarHBondContact O-CD1 3.33Å; L595-L599 VanDerWaalsContact O-CG 3.26Å; L595-L599 WeakPolarHBondContact O-CG 3.47Å; L595-L599 PolarHBondContact O-N 2.71Å; L595-V685 HydrophobicContact CD2-CG1 3.96Å; L595-V685 HydrophobicContact CD2-CG2 4.34Å; L595-V685 HydrophobicContact CG-CG1 4.39Å
596T79.1Confident76.9Confident40 Ų4051.5 Ų51.525%0.24527%0.267CS..Hα-helixtrans-59.3-42.5176.9-56.20000110.8A592 K593 T594 A600A592-T596 WeakPolarHBondContact O-CB 3.4Å; A592-T596 PolarHBondContact O-N 3.31Å; A592-T596 PolarHBondContact O-OG1 3.23Å; K593-T596 PolarHBondContact O-N 3.26Å; T594-T596 PolarHBondContact O-N 3.43Å; T596-A600 WeakPolarHBondContact O-CB 3.4Å; T596-A600 PolarHBondContact O-N 2.86Å; T596-A600 VanDerWaalsContact O-N 3.1Å
597V77.6Confident74.6Confident25 Ų2562.2 Ų62.215%0.15231%0.307CS..Hα-helixtrans-66.8-49.7177.5175.30000111.3K593 T594 L595 L599 A600 F601 T699K593-V597 WeakPolarHBondContact O-CG2 3.36Å; K593-V597 PolarHBondContact O-N 3.36Å; K593-V597 VanDerWaalsContact O-N 3.11Å; T594-V597 PolarHBondContact O-N 2.66Å; L595-V597 VanDerWaalsContact C-N 3.29Å; L595-V597 PolarHBondContact O-N 3.27Å; V597-L599 VanDerWaalsContact C-N 3.34Å; V597-L599 PolarHBondContact O-N 3.49Å; V597-A600 PolarHBondContact O-N 2.89Å; V597-F601 HydrophobicContact CG1-CD2 4.04Å; V597-F601 HydrophobicContact CG1-CE2 4.01Å; V597-F601 WeakPolarHBondContact O-CD2 3.38Å; V597-F601 PolarHBondContact O-N 3.13Å; V597-T699 HydrophobicContact CG1-CG2 3.69Å
598V75.1Confident72.9Confident24 Ų2466.7 Ų66.715%0.14534%0.338CS..Hα-helixtrans-61.3-41.5-179.3172.50000112.1T594 L595 F601 R602 V685 A689 L692T594-V598 WeakPolarHBondContact O-CG2 3.41Å; T594-V598 PolarHBondContact O-N 3.01Å; L595-V598 PolarHBondContact O-N 2.93Å; V598-F601 PolarHBondContact O-N 2.68Å; V598-R602 PolarHBondContact O-N 3.13Å; V598-R602 VanDerWaalsContact O-N 3.08Å; V598-V685 HydrophobicContact CG2-CG1 4.21Å; V598-A689 HydrophobicContact CG2-CB 3.51Å; V598-L692 HydrophobicContact CG2-CD1 4.17Å
599L73.9Confident71Confident49 Ų4977.4 Ų77.426%0.25738%0.379SS..Hα-helixtrans-68.4-35.3178.3-73166.3000112.1L595 V597 F601 V603L595-L599 VanDerWaalsContact O-CB 3.29Å; L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 WeakPolarHBondContact O-CD1 3.33Å; L595-L599 VanDerWaalsContact O-CG 3.26Å; L595-L599 WeakPolarHBondContact O-CG 3.47Å; L595-L599 PolarHBondContact O-N 2.71Å; V597-L599 VanDerWaalsContact C-N 3.34Å; V597-L599 PolarHBondContact O-N 3.49Å; L599-F601 VanDerWaalsContact C-N 3.33Å; L599-F601 PolarHBondContact O-N 2.96Å; L599-V603 VanDerWaalsContact O-CG2 3.22Å; L599-V603 WeakPolarHBondContact O-CG2 3.31Å; L599-V603 PolarHBondContact O-N 3.38Å
600A73.2Confident69.2Low59 Ų5981.7 Ų81.749%0.48840%0.401SS..Hα-helixtrans-63.8-36.5176.700000112.6T596 V597 L614T596-A600 WeakPolarHBondContact O-CB 3.4Å; T596-A600 PolarHBondContact O-N 2.86Å; T596-A600 VanDerWaalsContact O-N 3.1Å; V597-A600 PolarHBondContact O-N 2.89Å; A600-L614 HydrophobicContact CB-CD2 4.38Å
601F67.4Low67.3Low67 Ų6788.4 Ų88.429%0.29443%0.432SS..Hα-helixtrans-85.7-32-179.9-77.4-77.8000114.6V597 V598 L599 L692 P693V597-F601 HydrophobicContact CG1-CD2 4.04Å; V597-F601 HydrophobicContact CG1-CE2 4.01Å; V597-F601 WeakPolarHBondContact O-CD2 3.38Å; V597-F601 PolarHBondContact O-N 3.13Å; V598-F601 PolarHBondContact O-N 2.68Å; L599-F601 VanDerWaalsContact C-N 3.33Å; L599-F601 PolarHBondContact O-N 2.96Å; F601-L692 HydrophobicContact CB-CD1 4.2Å; F601-L692 HydrophobicContact CB-CD2 3.77Å; F601-L692 HydrophobicContact CD2-CB 4.29Å; F601-L692 HydrophobicContact CD2-CD1 4.04Å; F601-L692 HydrophobicContact CG-CD1 4.37Å; F601-L692 HydrophobicContact CG-CD2 4.16Å; F601-P693 HydrophobicContact CE1-CG 4.45Å; F601-P693 WeakPolarHBondContact CE1-O 3.29Å; F601-P693 WeakPolarHBondContact CZ-O 3.5Å
602R63.7Low65.5Low185 Ų18593.3 Ų93.370%0.69846%0.457SS*.Hα-helixtrans-81.7-17.7-179-82.7-166.2177.5-173.71.4114.6V598 T604V598-R602 PolarHBondContact O-N 3.13Å; V598-R602 VanDerWaalsContact O-N 3.08Å; R602-T604 PolarHBondContact O-N 3.07Å
603V57.3Low63.7Low58 Ų5896.5 Ų96.535%0.35248%0.479SS..  trans-90.178.7-179-178.10000110.1L599 I610L599-V603 VanDerWaalsContact O-CG2 3.22Å; L599-V603 WeakPolarHBondContact O-CG2 3.31Å; L599-V603 PolarHBondContact O-N 3.38Å; V603-I610 HydrophobicContact CG2-CG2 3.84Å
604T50.9Low62.2Low131 Ų13199.2 Ų99.280%0.80449%0.493SS*.  trans-99.87.5169.343.10000113.3R602R602-T604 PolarHBondContact O-N 3.07Å
605R46.5Very low61Low218 Ų218102.1 Ų102.182%0.82351%0.513SS*.SBendtrans-128.4131.5171.1-72.6-168.6-179.9-174.61.2112.6R607R605-R607 PolarHBondContact O-N 3.26Å
606P47.8Very low60Low130 Ų130103.2 Ų103.284%0.84452%0.524SS*.  trans-81.6109.4-175.132.8-33.4000111.1
607R46.2Very low59.4Low226 Ų226103.7 Ų103.785%0.85354%0.537SS*.  trans-142130.5162.8-151.9174.2-177175.11.1110.6R605 R609R605-R607 PolarHBondContact O-N 3.26Å; R607-R609 PolarHBondContact O-N 3.4Å; R607-R609 VanDerWaalsContact O-N 3.16Å
608S58.6Low59.2Low94 Ų94103.9 Ų103.966%0.65754%0.541SS*.THydrogen-bonded Turntrans-70.1-11.2-147.9620000119.1
609R53.7Low59.4Low225 Ų225103 Ų10385%0.84954%0.536SS*.THydrogen-bonded Turntrans-83.1-25.4-179.7-84.6-170.5-176.7-1751.8114.8R607R607-R609 PolarHBondContact O-N 3.4Å; R607-R609 VanDerWaalsContact O-N 3.16Å
610I54.6Low59.8Low91 Ų91102 Ų10247%0.46753%0.532SS..SBendtrans-81.7-19.1-176.8-62169.7000111.6V603 I612 C613V603-I610 HydrophobicContact CG2-CG2 3.84Å; I610-I612 VanDerWaalsContact C-N 3.31Å; I610-I612 PolarHBondContact O-N 3.16Å; I610-C613 VanDerWaalsContact O-CB 3.32Å; I610-C613 WeakPolarHBondContact O-CB 3.28Å; I610-C613 PolarHBondContact O-N 2.69Å; I610-C613 VanDerWaalsContact O-N 3.1Å
611Q51.4Low60.4Low140 Ų140101.6 Ų101.665%0.65453%0.526SS*.G310 helixtrans-70.1-26.1-179.1-139.6164.54.700113.1C613 L614Q611-C613 PolarHBondContact O-N 3.49Å; Q611-L614 PolarHBondContact O-N 3.07Å
612I53.2Low61.3Low130 Ų130100.8 Ų100.867%0.66753%0.526SS*.G310 helixtrans-63.7-31.1172.3-63.5168.3000110.6I610 L614 S615 A618I610-I612 VanDerWaalsContact C-N 3.31Å; I610-I612 PolarHBondContact O-N 3.16Å; I612-L614 VanDerWaalsContact C-N 3.3Å; I612-L614 PolarHBondContact O-N 3.43Å; I612-S615 PolarHBondContact O-N 3.01Å; I612-A618 WeakPolarHBondContact O-CB 3.4Å
613C51.6Low62.6Low68 Ų6892.2 Ų92.246%0.45949%0.494SS..G310 helixtrans-78-12.7-179.6-147.70000113.7I610 Q611I610-C613 VanDerWaalsContact O-CB 3.32Å; I610-C613 WeakPolarHBondContact O-CB 3.28Å; I610-C613 PolarHBondContact O-N 2.69Å; I610-C613 VanDerWaalsContact O-N 3.1Å; Q611-C613 PolarHBondContact O-N 3.49Å
614L54.5Low64.2Low64 Ų6494.8 Ų94.834%0.33551%0.505SS..G310 helixtrans-92.5-4.6175.5-81.1140.1000112.9A600 Q611 I612A600-L614 HydrophobicContact CB-CD2 4.38Å; Q611-L614 PolarHBondContact O-N 3.07Å; I612-L614 VanDerWaalsContact C-N 3.3Å; I612-L614 PolarHBondContact O-N 3.43Å
615S61.1Low66.2Low61 Ų6193.1 Ų93.143%0.42749%0.49SS..SBendtrans-70.2140.4175.7-178.80000110.8I612 G617 A618I612-S615 PolarHBondContact O-N 3.01Å; S615-G617 PolarHBondContact O-N 2.77Å; S615-A618 PolarHBondContact O-N 2.82Å
616P61.5Low68.4Low83 Ų8383.1 Ų83.154%0.53945%0.454SS..Hα-helixtrans-52.1-25173.5-2633.5000114.3S619 T620P616-S619 PolarHBondContact O-OG 3.28Å; P616-T620 PolarHBondContact O-OG1 2.95Å
617G68.3Low70.6Confident50 Ų5077.6 Ų77.652%0.51542%0.419SS..Hα-helixtrans-71.1-31.9174.300000114.3S615 S621S615-G617 PolarHBondContact O-N 2.77Å; G617-S621 PolarHBondContact O-N 3.42Å; G617-S621 VanDerWaalsContact O-N 3.16Å
618A72.6Confident72.8Confident28 Ų2872.3 Ų72.323%0.23141%0.407CS..Hα-helixtrans-74.4-40-177.600000112.5I612 S615 S621 V622I612-A618 WeakPolarHBondContact O-CB 3.4Å; S615-A618 PolarHBondContact O-N 2.82Å; A618-S621 WeakPolarHBondContact O-CB 3.29Å; A618-S621 PolarHBondContact O-N 3.3Å; A618-V622 PolarHBondContact O-N 3.31Å
619S79.1Confident74.6Confident7 Ų771.4 Ų71.45%0.04939%0.394CS..Hα-helixtrans-69.5-34.9176.964.80000112.6N542 A592 P616 S621 V622N542-S619 PolarHBondContact ND2-OG 3.31Å; A592-S619 WeakPolarHBondContact CB-O 3.33Å; P616-S619 PolarHBondContact O-OG 3.28Å; S619-S621 VanDerWaalsContact C-N 3.31Å; S619-S621 PolarHBondContact O-N 3.01Å; S619-V622 PolarHBondContact O-N 3.49Å
620T83.3Confident76.5Confident28 Ų2860.7 Ų60.717%0.17235%0.354CS..Hα-helixtrans-65.2-34.9172.5-50.80000111.6F548 P616 V622 V623 L624F548-T620 HydrophobicContact CE2-CG2 4.01Å; P616-T620 PolarHBondContact O-OG1 2.95Å; T620-V622 VanDerWaalsContact C-N 3.3Å; T620-V622 PolarHBondContact O-N 3.42Å; T620-V623 PolarHBondContact O-N 3.29Å; T620-L624 PolarHBondContact O-N 2.86Å
621S84.1Confident78.5Confident50 Ų5059.8 Ų59.835%0.3535%0.352SS..Hα-helixtrans-63-32.6175.6-168.90000113.1G617 A618 S619 L624 I625G617-S621 PolarHBondContact O-N 3.42Å; G617-S621 VanDerWaalsContact O-N 3.16Å; A618-S621 WeakPolarHBondContact O-CB 3.29Å; A618-S621 PolarHBondContact O-N 3.3Å; S619-S621 VanDerWaalsContact C-N 3.31Å; S619-S621 PolarHBondContact O-N 3.01Å; S621-L624 PolarHBondContact O-N 2.92Å; S621-I625 WeakPolarHBondContact O-CB 3.29Å; S621-I625 WeakPolarHBondContact O-CD1 3.23Å; S621-I625 VanDerWaalsContact O-CG1 3.24Å; S621-I625 WeakPolarHBondContact O-CG1 3.43Å; S621-I625 PolarHBondContact O-N 2.77Å
622V87.3Confident80.5Confident49 Ų4957.1 Ų57.130%0.29735%0.345SS..Hα-helixtrans-62.5-44.9176.6175.70000110.8A592 A618 S619 T620 A626A592-V622 HydrophobicContact CB-CB 4.18Å; A592-V622 HydrophobicContact CB-CG1 4.32Å; A618-V622 PolarHBondContact O-N 3.31Å; S619-V622 PolarHBondContact O-N 3.49Å; T620-V622 VanDerWaalsContact C-N 3.3Å; T620-V622 PolarHBondContact O-N 3.42Å; V622-A626 VanDerWaalsContact O-CB 3.26Å; V622-A626 WeakPolarHBondContact O-CB 3.48Å; V622-A626 PolarHBondContact O-N 2.63Å
623V91.6Very high82.4Confident6 Ų653.8 Ų53.84%0.03633%0.328CS..Hα-helixtrans-62.7-45.2178.2-178.60000110.8L545 V585 A592 T620 S627L545-V623 HydrophobicContact CD2-CG2 3.87Å; V585-V623 HydrophobicContact CG1-CG1 4.19Å; A592-V623 HydrophobicContact CB-CG2 3.99Å; T620-V623 PolarHBondContact O-N 3.29Å; V623-S627 VanDerWaalsContact O-CB 3.26Å; V623-S627 WeakPolarHBondContact O-CB 3.33Å; V623-S627 PolarHBondContact O-N 2.81Å; V623-S627 PolarHBondContact O-OG 3.13Å
624L90.4Very high84.4Confident111 Ų11150.8 Ų50.858%0.58131%0.308SS*.Hα-helixtrans-65.7-45.8-178.9-68.9175.1000112.3T620 S621 S627 L628T620-L624 PolarHBondContact O-N 2.86Å; S621-L624 PolarHBondContact O-N 2.92Å; L624-S627 PolarHBondContact O-N 3.34Å; L624-L628 VanDerWaalsContact O-CB 3.29Å; L624-L628 WeakPolarHBondContact O-CB 3.13Å; L624-L628 PolarHBondContact O-N 3.33Å
625I92.5Very high86.2Confident96 Ų9649.6 Ų49.649%0.49231%0.311SS..Hα-helixtrans-64.4-47.8178.9-67.3166.4000110.2S621 S627 L628 I629S621-I625 WeakPolarHBondContact O-CB 3.29Å; S621-I625 WeakPolarHBondContact O-CD1 3.23Å; S621-I625 VanDerWaalsContact O-CG1 3.24Å; S621-I625 WeakPolarHBondContact O-CG1 3.43Å; S621-I625 PolarHBondContact O-N 2.77Å; I625-S627 VanDerWaalsContact C-N 3.29Å; I625-S627 PolarHBondContact O-N 3.23Å; I625-L628 PolarHBondContact O-N 3.11Å; I625-I629 HydrophobicContact CG2-CD1 4.09Å; I625-I629 WeakPolarHBondContact O-CG1 3.22Å; I625-I629 PolarHBondContact O-N 3.22Å; I625-I629 VanDerWaalsContact O-N 3.09Å
626A92.6Very high87.6Confident8 Ų850.3 Ų50.37%0.06631%0.313CS..Hα-helixtrans-61.5-39.5-179.400000112.1T584 V622 Q630 Y674 L678T584-A626 WeakPolarHBondContact CG2-O 3.14Å; V622-A626 VanDerWaalsContact O-CB 3.26Å; V622-A626 WeakPolarHBondContact O-CB 3.48Å; V622-A626 PolarHBondContact O-N 2.63Å; A626-Q630 PolarHBondContact O-N 2.99Å; A626-Y674 VanDerWaalsContact CA-OH 3.28Å; A626-Y674 WeakPolarHBondContact CA-OH 3.44Å; A626-Y674 PolarHBondContact O-OH 3.16Å; A626-L678 HydrophobicContact CB-CD1 4.46Å
627S93.4Very high89.1Confident15 Ų1546.5 Ų46.511%0.10529%0.288CS..Hα-helixtrans-72.2-37.6177.6-540000112.4V585 V623 L624 I625 I629 Q630 V631V585-S627 WeakPolarHBondContact CG2-OG 3.42Å; V623-S627 VanDerWaalsContact O-CB 3.26Å; V623-S627 WeakPolarHBondContact O-CB 3.33Å; V623-S627 PolarHBondContact O-N 2.81Å; V623-S627 PolarHBondContact O-OG 3.13Å; L624-S627 PolarHBondContact O-N 3.34Å; I625-S627 VanDerWaalsContact C-N 3.29Å; I625-S627 PolarHBondContact O-N 3.23Å; S627-I629 VanDerWaalsContact C-N 3.34Å; S627-I629 PolarHBondContact O-N 3.36Å; S627-Q630 WeakPolarHBondContact O-CB 3.29Å; S627-Q630 PolarHBondContact O-N 3.43Å; S627-V631 WeakPolarHBondContact O-CG2 3.39Å; S627-V631 PolarHBondContact O-N 3.09Å
628L94.3Very high90.2Very high114 Ų11446.9 Ų46.960%0.59728%0.278SS*.Hα-helixtrans-62-42.8176.7-178.164.2000111.4L624 I625 Q630 V631 V632L624-L628 VanDerWaalsContact O-CB 3.29Å; L624-L628 WeakPolarHBondContact O-CB 3.13Å; L624-L628 PolarHBondContact O-N 3.33Å; I625-L628 PolarHBondContact O-N 3.11Å; L628-Q630 VanDerWaalsContact C-N 3.31Å; L628-Q630 PolarHBondContact O-N 3.08Å; L628-V631 PolarHBondContact O-N 2.96Å; L628-V632 WeakPolarHBondContact O-CG2 3.48Å; L628-V632 PolarHBondContact O-N 3.2Å
629I94.6Very high91Very high75 Ų7549.2 Ų49.239%0.38530%0.297SS..Hα-helixtrans-58.2-45.9174.8-65.5165000110.2I625 S627 V631 V632 L633 Y674I625-I629 HydrophobicContact CG2-CD1 4.09Å; I625-I629 WeakPolarHBondContact O-CG1 3.22Å; I625-I629 PolarHBondContact O-N 3.22Å; I625-I629 VanDerWaalsContact O-N 3.09Å; S627-I629 VanDerWaalsContact C-N 3.34Å; S627-I629 PolarHBondContact O-N 3.36Å; I629-V631 PolarHBondContact O-N 3.12Å; I629-V632 PolarHBondContact O-N 3.43Å; I629-L633 HydrophobicContact CG2-CD1 4.21Å; I629-L633 WeakPolarHBondContact O-CG 3.41Å; I629-L633 PolarHBondContact O-N 3.02Å; I629-Y674 HydrophobicContact CB-CE2 4.28Å; I629-Y674 HydrophobicContact CG2-CD2 4.12Å; I629-Y674 HydrophobicContact CG2-CE1 4.36Å; I629-Y674 HydrophobicContact CG2-CE2 3.56Å
630Q95.4Very high91.4Very high0 Ų055.2 Ų55.20%032%0.324CS..Hα-helixtrans-62.5-42.7178-171.566.329.200112.6V581 T584 A626 S627 L628 V632 L633 C634 Y674V581-Q630 HydrophobicContact CG2-CG 4.16Å; T584-Q630 HydrophobicContact CG2-CB 3.9Å; T584-Q630 HydrophobicContact CG2-CG 4.4Å; T584-Q630 WeakPolarHBondContact OG1-CG 3.23Å; A626-Q630 PolarHBondContact O-N 2.99Å; S627-Q630 WeakPolarHBondContact O-CB 3.29Å; S627-Q630 PolarHBondContact O-N 3.43Å; L628-Q630 VanDerWaalsContact C-N 3.31Å; L628-Q630 PolarHBondContact O-N 3.08Å; Q630-V632 VanDerWaalsContact C-N 3.32Å; Q630-V632 PolarHBondContact O-N 3.13Å; Q630-L633 PolarHBondContact O-N 3.19Å; Q630-C634 WeakPolarHBondContact O-CB 3.4Å; Q630-C634 PolarHBondContact O-N 3.41Å; Q630-C634 PolarHBondContact O-SG 3.38Å; Q630-C634 VanDerWaalsContact O-SG 3.41Å; Q630-Y674 HydrophobicContact CB-CE1 4.24Å
631V94.9Very high91.7Very high73 Ų7358.8 Ų58.844%0.44234%0.337SS..Hα-helixtrans-62.2-40.8178.1170.30000110.9V581 S627 L628 I629 C634 G635V581-V631 HydrophobicContact CG1-CG2 4.16Å; V581-V631 HydrophobicContact CG2-CG2 4.06Å; S627-V631 WeakPolarHBondContact O-CG2 3.39Å; S627-V631 PolarHBondContact O-N 3.09Å; L628-V631 PolarHBondContact O-N 2.96Å; I629-V631 PolarHBondContact O-N 3.12Å; V631-C634 PolarHBondContact O-N 3.48Å; V631-G635 PolarHBondContact O-N 3.45Å
632V94.6Very high91.9Very high84 Ų8459.2 Ų59.251%0.50934%0.339SS..Hα-helixtrans-63.7-45.8175.1172.70000111L628 I629 Q630 C634 G635 V636L628-V632 WeakPolarHBondContact O-CG2 3.48Å; L628-V632 PolarHBondContact O-N 3.2Å; I629-V632 PolarHBondContact O-N 3.43Å; Q630-V632 VanDerWaalsContact C-N 3.32Å; Q630-V632 PolarHBondContact O-N 3.13Å; V632-C634 PolarHBondContact O-N 3.35Å; V632-G635 PolarHBondContact O-N 3.14Å; V632-V636 HydrophobicContact CG1-CG2 4.48Å; V632-V636 WeakPolarHBondContact O-CG2 3.5Å; V632-V636 PolarHBondContact O-N 2.94Å
633L93.4Very high92.1Very high59 Ų5957.1 Ų57.131%0.30933%0.326SS..Hα-helixtrans-60.2-45.9177.2-70175000112I629 Q630 V636 W637 V671 Y674I629-L633 HydrophobicContact CG2-CD1 4.21Å; I629-L633 WeakPolarHBondContact O-CG 3.41Å; I629-L633 PolarHBondContact O-N 3.02Å; Q630-L633 PolarHBondContact O-N 3.19Å; L633-V636 PolarHBondContact O-N 3.29Å; L633-W637 PolarHBondContact O-N 3.4Å; L633-V671 HydrophobicContact CB-CG2 4.32Å; L633-Y674 HydrophobicContact CD1-CD1 4.47Å; L633-Y674 HydrophobicContact CD1-CD2 4.38Å; L633-Y674 HydrophobicContact CD1-CG 3.98Å
634C93Very high91.9Very high6 Ų661.3 Ų61.34%0.04134%0.344CS..Hα-helixtrans-62.6-40.6174.6-71.30000111.9T577 Q630 V631 V632 W637 L638T577-C634 HydrophobicContact CG2-CB 4.24Å; Q630-C634 WeakPolarHBondContact O-CB 3.4Å; Q630-C634 PolarHBondContact O-N 3.41Å; Q630-C634 PolarHBondContact O-SG 3.38Å; Q630-C634 VanDerWaalsContact O-SG 3.41Å; V631-C634 PolarHBondContact O-N 3.48Å; V632-C634 PolarHBondContact O-N 3.35Å; C634-W637 PolarHBondContact O-N 3.26Å; C634-L638 WeakPolarHBondContact O-CG 3.41Å; C634-L638 PolarHBondContact O-N 2.88Å
635G92.3Very high91.7Very high38 Ų3858.4 Ų58.439%0.39233%0.332SS..Hα-helixtrans-63-43.7177.900000112.9V631 V632 L638 A639V631-G635 PolarHBondContact O-N 3.45Å; V632-G635 PolarHBondContact O-N 3.14Å; G635-L638 PolarHBondContact O-N 3.28Å; G635-A639 WeakPolarHBondContact O-CB 3.4Å; G635-A639 PolarHBondContact O-N 3.03Å
636V91.4Very high91.3Very high77 Ų7756.6 Ų56.647%0.46732%0.323SS..Hα-helixtrans-62.3-43.1174.4172.50000110.9V632 L633 A639 H640V632-V636 HydrophobicContact CG1-CG2 4.48Å; V632-V636 WeakPolarHBondContact O-CG2 3.5Å; V632-V636 PolarHBondContact O-N 2.94Å; L633-V636 PolarHBondContact O-N 3.29Å; V636-A639 PolarHBondContact O-N 3.23Å; V636-H640 PolarHBondContact O-CD2 3.26Å; V636-H640 PolarHBondContact O-N 3.4Å; V636-H640 VanDerWaalsContact O-N 3.16Å
637W92.6Very high90.5Very high3 Ų361 Ų611%0.01134%0.341CS..Hα-helixtrans-61.4-48.2177.3179.725.6000111.9Q576 T577 L633 C634 A639 F641 P643 D662 T667 F668 V671Q576-W637 HydrophobicContact CB-CH2 3.57Å; Q576-W637 HydrophobicContact CB-CZ3 3.7Å; Q576-W637 HydrophobicContact CG-CH2 3.95Å; T577-W637 HydrophobicContact CG2-CE3 4.31Å; T577-W637 HydrophobicContact CG2-CZ3 4.26Å; L633-W637 PolarHBondContact O-N 3.4Å; C634-W637 PolarHBondContact O-N 3.26Å; W637-A639 VanDerWaalsContact C-N 3.31Å; W637-A639 PolarHBondContact O-N 2.92Å; W637-F641 PolarHBondContact NE1-O 3.03Å; W637-F641 CarbonylContact O-C 3.58Å; W637-F641 VanDerWaalsContact O-C 3.27Å; W637-F641 PolarHBondContact O-N 2.51Å; W637-P643 HydrophobicContact CH2-CG 4.11Å; W637-P643 HydrophobicContact CZ2-CG 3.69Å; W637-D662 HydrophobicContact CZ2-CB 4.08Å; W637-D662 WeakPolarHBondContact CZ2-O 2.98Å; W637-D662 PolarHBondContact NE1-O 2.9Å; W637-T667 PolarHBondContact NE1-OG1 3.3Å; W637-F668 HydrophobicContact CH2-CB 4.43Å; W637-F668 AromaticContact CH2-CD2 3.59Å; W637-F668 HydrophobicContact CH2-CD2 3.59Å; W637-F668 HydrophobicContact CH2-CE2 4.37Å; W637-F668 HydrophobicContact CH2-CG 4.46Å; W637-F668 HydrophobicContact CZ2-CB 3.98Å; W637-F668 AromaticContact CZ2-CD2 3.95Å; W637-F668 HydrophobicContact CZ2-CD2 3.95Å; W637-F668 HydrophobicContact CZ2-CG 4.41Å; W637-F668 HydrophobicContact CZ3-CD2 4.31Å; W637-V671 HydrophobicContact CB-CG2 4.49Å; W637-V671 HydrophobicContact CE3-CG2 4.06Å
638L90.7Very high89.5Confident58 Ų5861.5 Ų61.530%0.30434%0.342SS..Hα-helixtrans-64.7-32178-69.1-177.5000113.4L573 T577 C634 G635 P642L573-L638 HydrophobicContact CB-CD2 4.46Å; L573-L638 HydrophobicContact CD2-CD2 3.8Å; T577-L638 HydrophobicContact CG2-CD1 4Å; T577-L638 HydrophobicContact CG2-CD2 3.88Å; T577-L638 HydrophobicContact CG2-CG 3.96Å; C634-L638 WeakPolarHBondContact O-CG 3.41Å; C634-L638 PolarHBondContact O-N 2.88Å; G635-L638 PolarHBondContact O-N 3.28Å; L638-P642 WeakPolarHBondContact O-CB 3.11Å
639A89.4Confident88.1Confident77 Ų7759.1 Ų59.164%0.63633%0.329SS*.Hα-helixtrans-74.5-38.3-178.900000113.2G635 V636 W637G635-A639 WeakPolarHBondContact O-CB 3.4Å; G635-A639 PolarHBondContact O-N 3.03Å; V636-A639 PolarHBondContact O-N 3.23Å; W637-A639 VanDerWaalsContact C-N 3.31Å; W637-A639 PolarHBondContact O-N 2.92Å
640H88.5Confident86.6Confident133 Ų13363 Ų6362%0.61635%0.349SS*.Hα-helixtrans-97-38.3-175.4-70.6-71.2000113.7V636V636-H640 PolarHBondContact O-CD2 3.26Å; V636-H640 PolarHBondContact O-N 3.4Å; V636-H640 VanDerWaalsContact O-N 3.16Å
641F89.5Confident84.9Confident102 Ų10265 Ų6545%0.44736%0.363SS..SBendtrans-140.564.6-174-56.9-72000110.9W637 T667W637-F641 PolarHBondContact NE1-O 3.03Å; W637-F641 CarbonylContact O-C 3.58Å; W637-F641 VanDerWaalsContact O-C 3.27Å; W637-F641 PolarHBondContact O-N 2.51Å; F641-T667 HydrophobicContact CD2-CG2 4.07Å
642P88.5Confident83.4Confident60 Ų6065 Ų6539%0.3936%0.358SS..  trans-61.3134.3-177.723.8-32.5000111.5L573 L638L573-P642 HydrophobicContact CD2-CB 3.78Å; L638-P642 WeakPolarHBondContact O-CB 3.11Å
643P90.1Very high81.7Confident4 Ų465.7 Ų65.73%0.02636%0.364CS..  trans-59.3139171.8-27.234.8000112.7C572 W637 H661C572-P643 HydrophobicContact CB-CB 4.45Å; W637-P643 HydrophobicContact CH2-CG 4.11Å; W637-P643 HydrophobicContact CZ2-CG 3.69Å; P643-H661 WeakPolarHBondContact CA-O 3.44Å
644F87.1Confident80.2Confident95 Ų9568.5 Ų68.542%0.41738%0.376SS..EExtended strand (participates in β ladder)trans-135.1151.3-177.161.6-92.2000112.3D646 C660 H661F644-D646 HydrophobicContact CD2-CB 4.42Å; F644-D646 HydrophobicContact CE2-CB 4.13Å; F644-D646 PolarHBondContact O-N 2.92Å; F644-C660 WeakPolarHBondContact O-CA 3.45Å; F644-H661 HydrophobicContact CD2-CB 4.28Å; F644-H661 HydrophobicContact CE1-CB 4.12Å; F644-H661 HydrophobicContact CE2-CB 3.85Å; F644-H661 HydrophobicContact CZ-CB 3.75Å; F644-H661 AromaticContact CZ-CG 3.88Å; F644-H661 PolarHBondContact N-O 3.47Å; F644-H661 VanDerWaalsContact N-O 3.07Å; F644-H661 PolarHBondContact O-N 3.37Å
645P87.4Confident79.1Confident49 Ų4971 Ų7132%0.31839%0.387SS..EExtended strand (participates in β ladder)trans-70.3125.8175.627.6-32.3000110.2V569V569-P645 HydrophobicContact CG2-CG 4.15Å
646D82.9Confident78.1Confident58 Ų5869.6 Ų69.631%0.3137%0.371SS..EExtended strand (participates in β ladder)trans-119.4148.6-179.1-172.130.3000111.3F644 Q659 H661F644-D646 HydrophobicContact CD2-CB 4.42Å; F644-D646 HydrophobicContact CE2-CB 4.13Å; F644-D646 PolarHBondContact O-N 2.92Å; D646-Q659 PolarHBondContact N-O 3.21Å; D646-Q659 PolarHBondContact O-N 3.39Å; D646-H661 HydrophobicContact CB-CB 4.06Å
647K77.4Confident77.5Confident100 Ų10066.1 Ų66.144%0.43535%0.349SS..EExtended strand (participates in β ladder)trans-111.197-179.7-65-165.6-178-154.10109.2E498 M649 I656E498-K647 IonicContact OE1-NZ 3.04Å; E498-K647 PolarHBondContact OE1-NZ 3.31Å; K647-M649 HydrophobicContact CB-CE 4.28Å; K647-M649 PolarHBondContact O-N 3.09Å; K647-I656 HydrophobicContact CB-CG2 3.98Å; K647-I656 HydrophobicContact CD-CG2 4.25Å; K647-I656 HydrophobicContact CG-CG2 4.33Å
648D71Confident76.9Confident26 Ų2666.6 Ų66.614%0.13935%0.352CS..EExtended strand (participates in β ladder)trans-80.1115.8175.4-176.5-3.4000109.9I650 S651 V657D648-I650 PolarHBondContact OD1-N 3.38Å; D648-S651 PolarHBondContact OD1-N 3.38Å; D648-S651 VanDerWaalsContact OD1-N 3.09Å; D648-S651 WeakPolarHBondContact OD2-CB 3.48Å; D648-S651 PolarHBondContact OD2-OG 2.91Å; D648-V657 HydrophobicContact CB-CB 4.23Å; D648-V657 PolarHBondContact N-O 2.68Å; D648-V657 PolarHBondContact O-N 2.98Å
649M65.9Low76.5Confident64 Ų6466.3 Ų66.332%0.31535%0.349SS..  trans-106.71.2-179.1-58.9-174.8-175.100112.8R496 K647R496-M649 PolarHBondContact NH1-O 3Å; K647-M649 HydrophobicContact CB-CE 4.28Å; K647-M649 PolarHBondContact O-N 3.09Å
650I62.6Low76.4Confident156 Ų15663.3 Ų63.380%0.832%0.324SS*.SBendtrans-104.3-38.7-172.4-58.8172.4000110.3D648 E652D648-I650 PolarHBondContact OD1-N 3.38Å; I650-E652 VanDerWaalsContact C-N 3.32Å; I650-E652 PolarHBondContact O-N 3.33Å
651S59.8Low76.3Confident44 Ų4461.1 Ų61.131%0.30831%0.313SS..SBendtrans-64.7-31.6-174-72.80000114.5D648D648-S651 PolarHBondContact OD1-N 3.38Å; D648-S651 VanDerWaalsContact OD1-N 3.09Å; D648-S651 WeakPolarHBondContact OD2-CB 3.48Å; D648-S651 PolarHBondContact OD2-OG 2.91Å
652E62.5Low76.1Confident72 Ų7257.2 Ų57.234%0.33630%0.297SS..  trans-135.5119174.8-71-171.5-165.300110.8I499 I650 Q654 H655I499-E652 WeakPolarHBondContact CD1-OE2 3.27Å; I650-E652 VanDerWaalsContact C-N 3.32Å; I650-E652 PolarHBondContact O-N 3.33Å; E652-Q654 VanDerWaalsContact C-N 3.26Å; E652-Q654 PolarHBondContact O-N 2.96Å; E652-H655 HydrophobicContact CB-CB 4.32Å; E652-H655 PolarHBondContact O-N 2.97Å; E652-H655 IonicContact OE2-CD2 2.78Å; E652-H655 PolarHBondContact OE2-CD2 2.99Å; E652-H655 IonicContact OE2-CG 2.78Å
653P59.8Low75.8Confident98 Ų9855.5 Ų55.564%0.63629%0.29SS*.THydrogen-bonded Turntrans-67.1-23.1-172.421.6-30.8000114.3
654Q62.7Low75.7Confident118 Ų11856.6 Ų56.655%0.55130%0.298SS*.THydrogen-bonded Turntrans-98-15.3-177-64.9-179.1-4.100113.8E652E652-Q654 VanDerWaalsContact C-N 3.26Å; E652-Q654 PolarHBondContact O-N 2.96Å
655H68.9Low75.5Confident58 Ų5853.9 Ų53.927%0.26930%0.297SS..EExtended strand (participates in β ladder)trans-129.3157.8-172.5-62-59.9000112.1T497 I499 E652T497-H655 WeakPolarHBondContact O-CA 3.43Å; T497-H655 PolarHBondContact OG1-ND1 2.72Å; I499-H655 HydrophobicContact CD1-CB 3.44Å; I499-H655 VanDerWaalsContact CD1-CB 3.44Å; I499-H655 HydrophobicContact CG1-CB 3.78Å; I499-H655 HydrophobicContact CG2-CB 4.06Å; E652-H655 HydrophobicContact CB-CB 4.32Å; E652-H655 PolarHBondContact O-N 2.97Å; E652-H655 IonicContact OE2-CD2 2.78Å; E652-H655 PolarHBondContact OE2-CD2 2.99Å; E652-H655 IonicContact OE2-CG 2.78Å
656I71.3Confident75.5Confident10 Ų1054.7 Ų54.75%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-104.9108.7171.2-59.5171.9000106.9R496 T497 E498 I499 K647 I658R496-I656 HydrophobicContact CB-CD1 3.9Å; R496-I656 HydrophobicContact CB-CG1 3.74Å; T497-I656 PolarHBondContact O-N 2.75Å; E498-I656 CarbonylContact C-O 3.27Å; E498-I656 WeakPolarHBondContact CA-O 3.38Å; I499-I656 PolarHBondContact N-O 3.12Å; K647-I656 HydrophobicContact CB-CG2 3.98Å; K647-I656 HydrophobicContact CD-CG2 4.25Å; K647-I656 HydrophobicContact CG-CG2 4.33Å; I656-I658 PolarHBondContact O-N 3.07Å
657V77.8Confident75.6Confident3 Ų353.5 Ų53.52%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-77.5118.6175.9176.80000108.1I499 D648 Q659I499-V657 HydrophobicContact CD1-CG2 3.7Å; I499-V657 HydrophobicContact CG1-CB 4.43Å; I499-V657 HydrophobicContact CG1-CG2 3.87Å; D648-V657 HydrophobicContact CB-CB 4.23Å; D648-V657 PolarHBondContact N-O 2.68Å; D648-V657 PolarHBondContact O-N 2.98Å; V657-Q659 HydrophobicContact CG1-CB 4.4Å
658I80.1Confident76Confident13 Ų1349 Ų497%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-94.2112.4170.7-53.8-178.7000107.9E498 I499 P567 I656E498-I658 HydrophobicContact CB-CD1 3.82Å; E498-I658 HydrophobicContact CB-CG1 4.3Å; E498-I658 VanDerWaalsContact CD-CD1 3.48Å; E498-I658 HydrophobicContact CG-CD1 3.98Å; E498-I658 VanDerWaalsContact OE2-CD1 3.32Å; E498-I658 WeakPolarHBondContact OE2-CD1 3.28Å; I499-I658 PolarHBondContact O-N 3.15Å; I499-I658 VanDerWaalsContact O-N 3.08Å; P567-I658 HydrophobicContact CB-CG2 4.08Å; P567-I658 HydrophobicContact CG-CG2 3.87Å; I656-I658 PolarHBondContact O-N 3.07Å
659Q83.4Confident76.8Confident52 Ų5251.2 Ų51.224%0.24329%0.292CS..EExtended strand (participates in β ladder)trans-127-177.3176.764.9-1716.200109.7D646 V657D646-Q659 PolarHBondContact N-O 3.21Å; D646-Q659 PolarHBondContact O-N 3.39Å; V657-Q659 HydrophobicContact CG1-CB 4.4Å
660C87.6Confident78Confident15 Ų1552 Ų5210%0.10130%0.302CS..EExtended strand (participates in β ladder)trans-123.1121179.9-165.40000108.4C572 R575 F644C572-C660 WeakPolarHBondContact CA-SG 3.41Å; C572-C660 HydrophobicContact CB-CB 4.38Å; C572-C660 WeakPolarHBondContact CB-SG 3.46Å; C572-C660 WeakPolarHBondContact SG-CB 3.42Å; C572-C660 CovalentContact SG-SG 2.01Å; C572-C660 PolarHBondContact SG-SG 3.32Å; R575-C660 PolarHBondContact NH2-SG 3.08Å; F644-C660 WeakPolarHBondContact O-CA 3.45Å
661H86.7Confident79.4Confident87 Ų8744.7 Ų44.740%0.40327%0.265SS..EExtended strand (participates in β ladder)trans-83.5130.4-180-162.9-70.6000108.4P643 F644 D646 G663P643-H661 WeakPolarHBondContact CA-O 3.44Å; F644-H661 HydrophobicContact CD2-CB 4.28Å; F644-H661 HydrophobicContact CE1-CB 4.12Å; F644-H661 HydrophobicContact CE2-CB 3.85Å; F644-H661 HydrophobicContact CZ-CB 3.75Å; F644-H661 AromaticContact CZ-CG 3.88Å; F644-H661 PolarHBondContact N-O 3.47Å; F644-H661 VanDerWaalsContact N-O 3.07Å; F644-H661 PolarHBondContact O-N 3.37Å; D646-H661 HydrophobicContact CB-CB 4.06Å; H661-G663 PolarHBondContact ND1-N 2.82Å; H661-G663 PolarHBondContact O-N 3.29Å
662D83.6Confident80.8Confident19 Ų1943.9 Ų43.910%0.10226%0.257CS..  trans-70.89.2-176.4-65.3-48.6000114.1W637 S664 F668 Y720W637-D662 HydrophobicContact CZ2-CB 4.08Å; W637-D662 WeakPolarHBondContact CZ2-O 2.98Å; W637-D662 PolarHBondContact NE1-O 2.9Å; D662-S664 PolarHBondContact O-N 2.83Å; D662-F668 HydrophobicContact CB-CB 4.28Å; D662-F668 HydrophobicContact CB-CG 4.36Å; D662-Y720 PolarHBondContact OD2-OH 3.24Å; D662-Y720 VanDerWaalsContact OD2-OH 3.09Å
663G84.1Confident82.2Confident24 Ų2442.5 Ų42.525%0.24726%0.262CS..SBendtrans69.3-70.5-17300000113H661H661-G663 PolarHBondContact ND1-N 2.82Å; H661-G663 PolarHBondContact O-N 3.29Å
664S87.1Confident83.9Confident27 Ų2739.9 Ų39.919%0.18924%0.24CC..  trans-130.5119.5178.2173.90000110.9D662 A666 T667 F668D662-S664 PolarHBondContact O-N 2.83Å; S664-A666 PolarHBondContact O-N 2.87Å; S664-T667 WeakPolarHBondContact CB-OG1 3.14Å; S664-T667 PolarHBondContact O-N 3.29Å; S664-T667 PolarHBondContact O-OG1 3.08Å; S664-F668 PolarHBondContact O-N 2.84Å
665G83.8Confident85.3Confident38 Ų3834.6 Ų34.639%0.39222%0.215SC..Hα-helixtrans-59.9-35.7177.600000112.5F668 F669G665-F668 PolarHBondContact O-N 2.96Å; G665-F669 WeakPolarHBondContact O-CD2 3.44Å; G665-F669 PolarHBondContact O-N 2.88Å
666A85.9Confident86.4Confident67 Ų6733.9 Ų33.955%0.55422%0.224SC*.Hα-helixtrans-62.3-47.5-179.400000112.2S664 F669 C670S664-A666 PolarHBondContact O-N 2.87Å; A666-F669 PolarHBondContact O-N 2.98Å; A666-C670 PolarHBondContact O-N 2.85Å; A666-C670 PolarHBondContact O-SG 3.03Å
667T85.7Confident87.5Confident33 Ų3341.2 Ų41.220%0.20226%0.256CS..Hα-helixtrans-69.5-36.6179.7480000112W637 F641 S664 C670 V671W637-T667 PolarHBondContact NE1-OG1 3.3Å; F641-T667 HydrophobicContact CD2-CG2 4.07Å; S664-T667 WeakPolarHBondContact CB-OG1 3.14Å; S664-T667 PolarHBondContact O-N 3.29Å; S664-T667 PolarHBondContact O-OG1 3.08Å; T667-C670 WeakPolarHBondContact O-CB 3.14Å; T667-C670 PolarHBondContact O-N 2.86Å; T667-V671 WeakPolarHBondContact O-CG2 3.49Å; T667-V671 PolarHBondContact O-N 3.43Å; T667-V671 VanDerWaalsContact O-N 3.09Å
668F86.7Confident88.2Confident4 Ų441.8 Ų41.82%0.01826%0.259CS..Hα-helixtrans-58.7-48.5172.4173.1-115.1000111.9Q576 W637 D662 S664 G665 C670 V671 L672Q576-F668 HydrophobicContact CG-CE2 3.97Å; W637-F668 HydrophobicContact CH2-CB 4.43Å; W637-F668 AromaticContact CH2-CD2 3.59Å; W637-F668 HydrophobicContact CH2-CD2 3.59Å; W637-F668 HydrophobicContact CH2-CE2 4.37Å; W637-F668 HydrophobicContact CH2-CG 4.46Å; W637-F668 HydrophobicContact CZ2-CB 3.98Å; W637-F668 AromaticContact CZ2-CD2 3.95Å; W637-F668 HydrophobicContact CZ2-CD2 3.95Å; W637-F668 HydrophobicContact CZ2-CG 4.41Å; W637-F668 HydrophobicContact CZ3-CD2 4.31Å; D662-F668 HydrophobicContact CB-CB 4.28Å; D662-F668 HydrophobicContact CB-CG 4.36Å; S664-F668 PolarHBondContact O-N 2.84Å; G665-F668 PolarHBondContact O-N 2.96Å; F668-C670 VanDerWaalsContact C-N 3.33Å; F668-C670 PolarHBondContact O-N 3.31Å; F668-V671 WeakPolarHBondContact O-CB 3.47Å; F668-V671 PolarHBondContact O-N 2.9Å; F668-L672 HydrophobicContact CD1-CD1 4.25Å; F668-L672 HydrophobicContact CD2-CD1 4.48Å; F668-L672 HydrophobicContact CE1-CD1 3.59Å; F668-L672 HydrophobicContact CE2-CD1 3.86Å; F668-L672 HydrophobicContact CE2-CG 4.13Å; F668-L672 HydrophobicContact CZ-CD1 3.4Å; F668-L672 HydrophobicContact CZ-CG 4.18Å; F668-L672 PolarHBondContact O-N 3.12Å
669F87.9Confident88.8Confident73 Ų7341.4 Ų41.432%0.3226%0.257SS..Hα-helixtrans-68.4-28.1176.8-74.2-62.2000113.5G665 A666 L672 G673 L717 Y721G665-F669 WeakPolarHBondContact O-CD2 3.44Å; G665-F669 PolarHBondContact O-N 2.88Å; A666-F669 PolarHBondContact O-N 2.98Å; F669-L672 HydrophobicContact CD1-CD1 4.5Å; F669-G673 WeakPolarHBondContact O-CA 3.45Å; F669-G673 PolarHBondContact O-N 3.48Å; F669-L717 HydrophobicContact CE1-CD2 4.23Å; F669-Y721 VanDerWaalsContact CE2-OH 3.27Å; F669-Y721 WeakPolarHBondContact CE2-OH 3.29Å; F669-Y721 HydrophobicContact CZ-CE2 4.14Å; F669-Y721 AromaticContact CZ-CZ 3.82Å; F669-Y721 WeakPolarHBondContact CZ-OH 3.11Å
670C90.1Very high89.2Confident80 Ų8040.3 Ų40.354%0.54126%0.26SS..Hα-helixtrans-63.6-44170.8-70.20000112A666 T667 F668 G673 Y674A666-C670 PolarHBondContact O-N 2.85Å; A666-C670 PolarHBondContact O-SG 3.03Å; T667-C670 WeakPolarHBondContact O-CB 3.14Å; T667-C670 PolarHBondContact O-N 2.86Å; F668-C670 VanDerWaalsContact C-N 3.33Å; F668-C670 PolarHBondContact O-N 3.31Å; C670-G673 PolarHBondContact O-N 3.35Å; C670-Y674 PolarHBondContact O-N 3.36Å; C670-Y674 VanDerWaalsContact O-N 3.09Å
671V91.9Very high89.4Confident4 Ų441 Ų412%0.02427%0.27CS..Hα-helixtrans-62.9-47.1177.5168.70000110.8A580 L633 W637 T667 F668 L675A580-V671 HydrophobicContact CB-CG1 3.74Å; L633-V671 HydrophobicContact CB-CG2 4.32Å; W637-V671 HydrophobicContact CB-CG2 4.49Å; W637-V671 HydrophobicContact CE3-CG2 4.06Å; T667-V671 WeakPolarHBondContact O-CG2 3.49Å; T667-V671 PolarHBondContact O-N 3.43Å; T667-V671 VanDerWaalsContact O-N 3.09Å; F668-V671 WeakPolarHBondContact O-CB 3.47Å; F668-V671 PolarHBondContact O-N 2.9Å; V671-L675 PolarHBondContact O-N 3.15Å
672L90.1Very high89.7Confident27 Ų2736.9 Ų36.914%0.14125%0.251CS..Hα-helixtrans-67.1-36.8174.9-71.8-178.4000112.7F579 F668 F669 Y674 L675 G676F579-L672 HydrophobicContact CE1-CD2 3.79Å; F668-L672 HydrophobicContact CD1-CD1 4.25Å; F668-L672 HydrophobicContact CD2-CD1 4.48Å; F668-L672 HydrophobicContact CE1-CD1 3.59Å; F668-L672 HydrophobicContact CE2-CD1 3.86Å; F668-L672 HydrophobicContact CE2-CG 4.13Å; F668-L672 HydrophobicContact CZ-CD1 3.4Å; F668-L672 HydrophobicContact CZ-CG 4.18Å; F668-L672 PolarHBondContact O-N 3.12Å; F669-L672 HydrophobicContact CD1-CD1 4.5Å; L672-Y674 PolarHBondContact O-N 3.14Å; L672-L675 PolarHBondContact O-N 3.33Å; L672-G676 PolarHBondContact O-N 3.04Å
673G91.8Very high90.1Very high42 Ų4238.6 Ų38.643%0.43326%0.258SS..Hα-helixtrans-62.8-39.8-179.800000112.5F669 C670 G676 F677F669-G673 WeakPolarHBondContact O-CA 3.45Å; F669-G673 PolarHBondContact O-N 3.48Å; C670-G673 PolarHBondContact O-N 3.35Å; G673-G676 PolarHBondContact O-N 2.89Å; G673-F677 WeakPolarHBondContact O-CB 3.37Å; G673-F677 PolarHBondContact O-N 3.46Å
674Y94.8Very high90.4Very high44 Ų4440.6 Ų40.617%0.17327%0.268CS..Hα-helixtrans-65.1-43.7173.4175-91.6000112.2T584 A626 I629 Q630 L633 C670 L672 G676 F677 L678T584-Y674 HydrophobicContact CG2-CE1 4.18Å; A626-Y674 VanDerWaalsContact CA-OH 3.28Å; A626-Y674 WeakPolarHBondContact CA-OH 3.44Å; A626-Y674 PolarHBondContact O-OH 3.16Å; I629-Y674 HydrophobicContact CB-CE2 4.28Å; I629-Y674 HydrophobicContact CG2-CD2 4.12Å; I629-Y674 HydrophobicContact CG2-CE1 4.36Å; I629-Y674 HydrophobicContact CG2-CE2 3.56Å; Q630-Y674 HydrophobicContact CB-CE1 4.24Å; L633-Y674 HydrophobicContact CD1-CD1 4.47Å; L633-Y674 HydrophobicContact CD1-CD2 4.38Å; L633-Y674 HydrophobicContact CD1-CG 3.98Å; C670-Y674 PolarHBondContact O-N 3.36Å; C670-Y674 VanDerWaalsContact O-N 3.09Å; L672-Y674 PolarHBondContact O-N 3.14Å; Y674-G676 VanDerWaalsContact C-N 3.3Å; Y674-G676 PolarHBondContact O-N 3.08Å; Y674-F677 PolarHBondContact O-N 3.11Å; Y674-L678 WeakPolarHBondContact O-CB 3.19Å; Y674-L678 PolarHBondContact O-N 2.68Å
675L92Very high90.4Very high6 Ų640.9 Ų40.93%0.03127%0.268CS..Hα-helixtrans-61.4-41175.5-177.665.9000111.2F579 F583 V587 V671 L672 L678 A679F579-L675 HydrophobicContact CE1-CD2 4.2Å; F579-L675 HydrophobicContact CZ-CD2 3.86Å; F583-L675 HydrophobicContact CB-CD1 4.05Å; F583-L675 HydrophobicContact CB-CD2 3.96Å; V587-L675 HydrophobicContact CG2-CD1 4.38Å; V671-L675 PolarHBondContact O-N 3.15Å; L672-L675 PolarHBondContact O-N 3.33Å; L675-L678 PolarHBondContact O-N 3.37Å; L675-A679 WeakPolarHBondContact O-CB 3.39Å; L675-A679 PolarHBondContact O-N 3.12Å
676G92.3Very high90.6Very high44 Ų4439.1 Ų39.145%0.45425%0.25SC..Hα-helixtrans-63-43.117400000113L672 G673 Y674 A679 G680L672-G676 PolarHBondContact O-N 3.04Å; G673-G676 PolarHBondContact O-N 2.89Å; Y674-G676 VanDerWaalsContact C-N 3.3Å; Y674-G676 PolarHBondContact O-N 3.08Å; G676-A679 PolarHBondContact O-N 2.8Å; G676-G680 PolarHBondContact O-N 2.9Å
677F93.8Very high90.7Very high163 Ų16340.2 Ų40.272%0.71524%0.242SC*.Hα-helixtrans-60.9-45.8174.5176-98.7000111.5G673 Y674 A679 G680 G681G673-F677 WeakPolarHBondContact O-CB 3.37Å; G673-F677 PolarHBondContact O-N 3.46Å; Y674-F677 PolarHBondContact O-N 3.11Å; F677-A679 PolarHBondContact O-N 2.52Å; F677-G680 PolarHBondContact O-N 3.36Å; F677-G681 PolarHBondContact O-N 3.43Å
678L92.9Very high90.7Very high16 Ų1644.5 Ų44.58%0.08426%0.263CS..Hα-helixtrans-62.2-43.7176.6-172.772.1000111.3T584 V587 L591 A626 Y674 L675 G681 T682T584-L678 HydrophobicContact CG2-CD2 3.93Å; V587-L678 HydrophobicContact CB-CD2 4.05Å; V587-L678 HydrophobicContact CB-CG 4.49Å; V587-L678 HydrophobicContact CG1-CB 4.43Å; V587-L678 HydrophobicContact CG1-CD2 3.93Å; V587-L678 HydrophobicContact CG1-CG 3.82Å; L591-L678 HydrophobicContact CD2-CD1 3.76Å; A626-L678 HydrophobicContact CB-CD1 4.46Å; Y674-L678 WeakPolarHBondContact O-CB 3.19Å; Y674-L678 PolarHBondContact O-N 2.68Å; L675-L678 PolarHBondContact O-N 3.37Å; L678-G681 PolarHBondContact O-N 3.21Å; L678-T682 WeakPolarHBondContact O-CB 3.47Å; L678-T682 PolarHBondContact O-N 3.38Å; L678-T682 PolarHBondContact O-OG1 3.13Å
679A92.4Very high90.4Very high4 Ų444.4 Ų44.43%0.03326%0.263CS..Hα-helixtrans-63.9-44.717700000112.2V587 L675 G676 F677 T682 F683 M706 F709V587-A679 HydrophobicContact CG1-CB 4.31Å; L675-A679 WeakPolarHBondContact O-CB 3.39Å; L675-A679 PolarHBondContact O-N 3.12Å; G676-A679 PolarHBondContact O-N 2.8Å; F677-A679 PolarHBondContact O-N 2.52Å; A679-T682 WeakPolarHBondContact O-CB 3.45Å; A679-T682 PolarHBondContact O-N 3Å; A679-F683 WeakPolarHBondContact O-CB 3.32Å; A679-F683 PolarHBondContact O-N 3.49Å; A679-M706 HydrophobicContact CB-CE 4.37Å; A679-F709 HydrophobicContact CB-CD1 3.98Å; A679-F709 HydrophobicContact CB-CE1 3.61Å
680G92.5Very high90.1Very high30 Ų3045.7 Ų45.731%0.30927%0.266SS..Hα-helixtrans-63.4-41.717600000112.9G676 F677 F683 S684G676-G680 PolarHBondContact O-N 2.9Å; F677-G680 PolarHBondContact O-N 3.36Å; G680-F683 PolarHBondContact O-N 2.85Å; G680-S684 WeakPolarHBondContact O-CB 3.22Å; G680-S684 PolarHBondContact O-N 3.12Å; G680-S684 PolarHBondContact O-OG 3.07Å
681G91.8Very high89.6Confident30 Ų3047.8 Ų47.831%0.30927%0.272SS..Hα-helixtrans-61.5-44.117200000112F677 L678 S684 V685F677-G681 PolarHBondContact O-N 3.43Å; L678-G681 PolarHBondContact O-N 3.21Å; G681-S684 PolarHBondContact O-N 3.34Å; G681-V685 WeakPolarHBondContact O-CG2 3.42Å; G681-V685 PolarHBondContact O-N 2.77Å
682T91.6Very high88.7Confident0 Ų049.6 Ų49.60%028%0.281CS..Hα-helixtrans-63.4-43.4177.4-54.10000112.1V587 V590 L591 L678 A679 A686 M706V587-T682 HydrophobicContact CG1-CG2 4.48Å; V587-T682 WeakPolarHBondContact CG1-OG1 3.29Å; V590-T682 HydrophobicContact CB-CG2 4.05Å; V590-T682 HydrophobicContact CG1-CG2 3.6Å; L591-T682 HydrophobicContact CB-CG2 4.1Å; L591-T682 WeakPolarHBondContact CB-OG1 3.11Å; L678-T682 WeakPolarHBondContact O-CB 3.47Å; L678-T682 PolarHBondContact O-N 3.38Å; L678-T682 PolarHBondContact O-OG1 3.13Å; A679-T682 WeakPolarHBondContact O-CB 3.45Å; A679-T682 PolarHBondContact O-N 3Å; T682-A686 VanDerWaalsContact O-CB 3.27Å; T682-A686 WeakPolarHBondContact O-CB 3.25Å; T682-A686 PolarHBondContact O-N 3.43Å; T682-M706 HydrophobicContact CG2-CE 3.75Å; T682-M706 HydrophobicContact CG2-CG 3.97Å; T682-M706 HydrophobicContact CG2-SD 3.68Å
683F92.9Very high87.5Confident55 Ų5553.4 Ų53.424%0.24131%0.307CS..Hα-helixtrans-63.2-43.3174.9174.2-109.7000111.7A679 G680 V685 A686 F687 T703 M706 L707A679-F683 WeakPolarHBondContact O-CB 3.32Å; A679-F683 PolarHBondContact O-N 3.49Å; G680-F683 PolarHBondContact O-N 2.85Å; F683-V685 PolarHBondContact O-N 3.47Å; F683-A686 PolarHBondContact O-N 3.16Å; F683-F687 HydrophobicContact CZ-CD2 4.36Å; F683-F687 VanDerWaalsContact O-CB 3.29Å; F683-F687 WeakPolarHBondContact O-CB 3.14Å; F683-F687 PolarHBondContact O-N 3.12Å; F683-T703 HydrophobicContact CE2-CG2 4.36Å; F683-M706 HydrophobicContact CB-CB 4.28Å; F683-M706 HydrophobicContact CD2-CB 4.12Å; F683-L707 HydrophobicContact CD2-CB 4.42Å; F683-L707 HydrophobicContact CE2-CB 3.88Å; F683-L707 HydrophobicContact CE2-CD1 3.83Å; F683-L707 HydrophobicContact CE2-CG 4.43Å; F683-L707 HydrophobicContact CZ-CD1 3.89Å
684S90.2Very high86.3Confident66 Ų6653.1 Ų53.146%0.46230%0.296SS..Hα-helixtrans-60.5-46.8178.5-59.40000111.8G680 G681 F687 L688G680-S684 WeakPolarHBondContact O-CB 3.22Å; G680-S684 PolarHBondContact O-N 3.12Å; G680-S684 PolarHBondContact O-OG 3.07Å; G681-S684 PolarHBondContact O-N 3.34Å; S684-F687 PolarHBondContact O-N 3.41Å; S684-L688 WeakPolarHBondContact O-CG 3.36Å; S684-L688 PolarHBondContact O-N 2.83Å; S684-L688 VanDerWaalsContact O-N 3.08Å
685V88Confident84.6Confident32 Ų3253.3 Ų53.319%0.19430%0.302CS..Hα-helixtrans-66.4-42.5176.9177.90000111.1L591 L595 V598 G681 F683 F687 L688 A689L591-V685 HydrophobicContact CD1-CB 4.46Å; L591-V685 HydrophobicContact CD1-CG2 4.22Å; L595-V685 HydrophobicContact CD2-CG1 3.96Å; L595-V685 HydrophobicContact CD2-CG2 4.34Å; L595-V685 HydrophobicContact CG-CG1 4.39Å; V598-V685 HydrophobicContact CG2-CG1 4.21Å; G681-V685 WeakPolarHBondContact O-CG2 3.42Å; G681-V685 PolarHBondContact O-N 2.77Å; F683-V685 PolarHBondContact O-N 3.47Å; V685-F687 VanDerWaalsContact C-N 3.35Å; V685-F687 PolarHBondContact O-N 3.16Å; V685-L688 PolarHBondContact O-N 2.98Å; V685-A689 WeakPolarHBondContact O-CB 3.46Å; V685-A689 PolarHBondContact O-N 3.29Å; V685-A689 VanDerWaalsContact O-N 3.11Å
686A87.6Confident83.1Confident1 Ų154.7 Ų54.71%0.00831%0.308CS..Hα-helixtrans-60.4-44.8176.700000111.5T594 T682 F683 L688 A689 R690 T703T594-A686 HydrophobicContact CG2-CB 3.89Å; T682-A686 VanDerWaalsContact O-CB 3.27Å; T682-A686 WeakPolarHBondContact O-CB 3.25Å; T682-A686 PolarHBondContact O-N 3.43Å; F683-A686 PolarHBondContact O-N 3.16Å; A686-L688 PolarHBondContact O-N 2.94Å; A686-A689 WeakPolarHBondContact O-CA 2.9Å; A686-A689 WeakPolarHBondContact O-CB 3.21Å; A686-A689 PolarHBondContact O-N 3.16Å; A686-R690 PolarHBondContact O-N 3.26Å; A686-T703 VanDerWaalsContact C-OG1 3.31Å; A686-T703 PolarHBondContact O-OG1 3.24Å
687F87.7Confident82.1Confident91 Ų9156.5 Ų56.540%0.39931%0.307SS..Hα-helixtrans-61.3-42.3177.8-174-93.7000112.3F683 S684 V685 A689 R690 T703F683-F687 HydrophobicContact CZ-CD2 4.36Å; F683-F687 VanDerWaalsContact O-CB 3.29Å; F683-F687 WeakPolarHBondContact O-CB 3.14Å; F683-F687 PolarHBondContact O-N 3.12Å; S684-F687 PolarHBondContact O-N 3.41Å; V685-F687 VanDerWaalsContact C-N 3.35Å; V685-F687 PolarHBondContact O-N 3.16Å; F687-A689 PolarHBondContact O-N 3.44Å; F687-R690 WeakPolarHBondContact O-CB 3.28Å; F687-R690 WeakPolarHBondContact O-CD 3.43Å; F687-R690 WeakPolarHBondContact O-CG 3.27Å; F687-R690 PolarHBondContact O-N 2.97Å; F687-T703 HydrophobicContact CB-CG2 4.39Å; F687-T703 HydrophobicContact CD2-CG2 4.27Å
688L85.3Confident81.4Confident123 Ų12349.8 Ų49.864%0.64428%0.278SS*.Hα-helixtrans-64.7-25.2174-70.3171.8000113S684 V685 A686S684-L688 WeakPolarHBondContact O-CG 3.36Å; S684-L688 PolarHBondContact O-N 2.83Å; S684-L688 VanDerWaalsContact O-N 3.08Å; V685-L688 PolarHBondContact O-N 2.98Å; A686-L688 PolarHBondContact O-N 2.94Å
689A81.1Confident80.8Confident2 Ų249.2 Ų49.22%0.01728%0.275CS..Hα-helixtrans-85-11179.600000113.8V598 V685 A686 F687 D691 L692 T699V598-A689 HydrophobicContact CG2-CB 3.51Å; V685-A689 WeakPolarHBondContact O-CB 3.46Å; V685-A689 PolarHBondContact O-N 3.29Å; V685-A689 VanDerWaalsContact O-N 3.11Å; A686-A689 WeakPolarHBondContact O-CA 2.9Å; A686-A689 WeakPolarHBondContact O-CB 3.21Å; A686-A689 PolarHBondContact O-N 3.16Å; F687-A689 PolarHBondContact O-N 3.44Å; A689-D691 VanDerWaalsContact C-N 3.25Å; A689-D691 PolarHBondContact O-N 3.13Å; A689-L692 HydrophobicContact CB-CD1 4.02Å; A689-L692 WeakPolarHBondContact O-CB 3.38Å; A689-L692 WeakPolarHBondContact O-CG 3.19Å; A689-L692 PolarHBondContact O-N 3.48Å; A689-L692 VanDerWaalsContact O-N 3.11Å; A689-T699 HydrophobicContact CB-CG2 4.02Å; A689-T699 WeakPolarHBondContact O-CB 3.17Å; A689-T699 WeakPolarHBondContact O-CG2 3.2Å; A689-T699 PolarHBondContact O-OG1 3.36Å
690R82.5Confident80.4Confident100 Ų10054.4 Ų54.438%0.37730%0.297SS..THydrogen-bonded Turntrans-60.9-30.4-168.178.9-171.8-176.3167.2-1.9114.6A686 F687A686-R690 PolarHBondContact O-N 3.26Å; F687-R690 WeakPolarHBondContact O-CB 3.28Å; F687-R690 WeakPolarHBondContact O-CD 3.43Å; F687-R690 WeakPolarHBondContact O-CG 3.27Å; F687-R690 PolarHBondContact O-N 2.97Å
691D78Confident80.2Confident124 Ų12456.9 Ų56.966%0.66330%0.299SS*.THydrogen-bonded Turntrans-953.2-175.5-63.7-48.4000112A689A689-D691 VanDerWaalsContact C-N 3.25Å; A689-D691 PolarHBondContact O-N 3.13Å
692L73.7Confident79.9Confident42 Ų4255.7 Ų55.722%0.2229%0.285CS..SBendtrans-71.3131174.9-67.2172.6000110.6V598 F601 A689 D694V598-L692 HydrophobicContact CG2-CD1 4.17Å; F601-L692 HydrophobicContact CB-CD1 4.2Å; F601-L692 HydrophobicContact CB-CD2 3.77Å; F601-L692 HydrophobicContact CD2-CB 4.29Å; F601-L692 HydrophobicContact CD2-CD1 4.04Å; F601-L692 HydrophobicContact CG-CD1 4.37Å; F601-L692 HydrophobicContact CG-CD2 4.16Å; A689-L692 HydrophobicContact CB-CD1 4.02Å; A689-L692 WeakPolarHBondContact O-CB 3.38Å; A689-L692 WeakPolarHBondContact O-CG 3.19Å; A689-L692 PolarHBondContact O-N 3.48Å; A689-L692 VanDerWaalsContact O-N 3.11Å; L692-D694 PolarHBondContact O-N 3.37Å
693P65.1Low79.8Confident106 Ų10656.4 Ų56.469%0.68829%0.29SS*.  trans-70.899.117828.1-32.5000109.9F601F601-P693 HydrophobicContact CE1-CG 4.45Å; F601-P693 WeakPolarHBondContact CE1-O 3.29Å; F601-P693 WeakPolarHBondContact CZ-O 3.5Å
694D65.8Low79.7Confident36 Ų3659.6 Ų59.619%0.19330%0.304CS..  trans-113136.7176.7-164-16.4000110.4L692 F696 N697 E698L692-D694 PolarHBondContact O-N 3.37Å; D694-F696 PolarHBondContact O-N 2.99Å; D694-N697 PolarHBondContact O-N 3.19Å; D694-N697 VanDerWaalsContact O-N 3.12Å; D694-E698 WeakPolarHBondContact OD2-CB 3.4Å
695V59.3Low79.7Confident49 Ų4956.5 Ų56.530%0.29728%0.282SS..THydrogen-bonded Turntrans-55.2-22.1-174.7-177.60000112.3W766 L767V695-W766 HydrophobicContact CG1-CE3 4.33Å; V695-W766 HydrophobicContact CG1-CZ3 3.86Å; V695-L767 HydrophobicContact CG1-CD2 4.22Å
696F61.3Low79.9Confident35 Ų3555 Ų5515%0.15427%0.273CS..THydrogen-bonded Turntrans-120.29.7-176.6-56-68.6000115.6V537 D694 E698 I754 W766 L767V537-F696 HydrophobicContact CG2-CZ 4.14Å; D694-F696 PolarHBondContact O-N 2.99Å; F696-E698 PolarHBondContact O-N 3.14Å; F696-I754 HydrophobicContact CD1-CD1 3.68Å; F696-I754 HydrophobicContact CE1-CD1 4.12Å; F696-W766 HydrophobicContact CE1-CZ3 4.34Å; F696-L767 HydrophobicContact CE2-CD2 3.53Å; F696-L767 HydrophobicContact CZ-CD2 3.56Å; F696-L767 HydrophobicContact CZ-CG 4.4Å
697N71.8Confident80.1Confident82 Ų8259.3 Ų59.344%0.43930%0.296SS..  trans52.328.7-169-72.8-60.6000113.1D694 T699 K700 F701D694-N697 PolarHBondContact O-N 3.19Å; D694-N697 VanDerWaalsContact O-N 3.12Å; N697-T699 VanDerWaalsContact C-N 3.31Å; N697-T699 PolarHBondContact O-N 2.86Å; N697-K700 HydrophobicContact CB-CD 4.25Å; N697-K700 WeakPolarHBondContact O-CB 3.46Å; N697-K700 PolarHBondContact O-N 3.37Å; N697-K700 VanDerWaalsContact O-N 3.13Å; N697-K700 PolarHBondContact OD1-NZ 3.48Å; N697-F701 HydrophobicContact CB-CE2 4.4Å; N697-F701 WeakPolarHBondContact O-CD2 3.39Å; N697-F701 PolarHBondContact O-N 3.07Å
698E78.1Confident80.3Confident22 Ų2257.9 Ų57.910%0.10329%0.292CS..Hα-helixtrans-61.3-38.3-171.4178.2166.1176.400112.6N541 K593 D694 F696 K700 F701 L702 K751N541-E698 PolarHBondContact OD1-OE1 3.22Å; K593-E698 WeakPolarHBondContact CE-OE1 3.37Å; K593-E698 IonicContact NZ-OE1 3.27Å; K593-E698 PolarHBondContact NZ-OE1 3.4Å; D694-E698 WeakPolarHBondContact OD2-CB 3.4Å; F696-E698 PolarHBondContact O-N 3.14Å; E698-K700 VanDerWaalsContact C-N 3.3Å; E698-K700 PolarHBondContact O-N 3.24Å; E698-F701 PolarHBondContact O-N 2.92Å; E698-L702 WeakPolarHBondContact O-CB 3.17Å; E698-L702 PolarHBondContact O-N 2.89Å; E698-K751 IonicContact OE1-NZ 3.83Å; E698-K751 PolarHBondContact OE1-NZ 2.7Å; E698-K751 VanDerWaalsContact OE2-CE 3.25Å; E698-K751 WeakPolarHBondContact OE2-CE 3.3Å; E698-K751 IonicContact OE2-NZ 3.55Å; E698-K751 PolarHBondContact OE2-NZ 2.97Å
699T80.6Confident80.7Confident4 Ų452.2 Ų52.23%0.02526%0.262CS..Hα-helixtrans-62.6-33177.554.10000113.2V597 A689 N697 T703V597-T699 HydrophobicContact CG1-CG2 3.69Å; A689-T699 HydrophobicContact CB-CG2 4.02Å; A689-T699 WeakPolarHBondContact O-CB 3.17Å; A689-T699 WeakPolarHBondContact O-CG2 3.2Å; A689-T699 PolarHBondContact O-OG1 3.36Å; N697-T699 VanDerWaalsContact C-N 3.31Å; N697-T699 PolarHBondContact O-N 2.86Å; T699-T703 WeakPolarHBondContact O-CB 3.33Å; T699-T703 PolarHBondContact O-N 3.06Å; T699-T703 PolarHBondContact O-OG1 3.3Å
700K84.8Confident81.2Confident113 Ų11353.4 Ų53.449%0.49127%0.27SS..Hα-helixtrans-68.7-45.3175.9-67.2178.6-177.3158.50111.6N697 E698 L702 T703 F704N697-K700 HydrophobicContact CB-CD 4.25Å; N697-K700 WeakPolarHBondContact O-CB 3.46Å; N697-K700 PolarHBondContact O-N 3.37Å; N697-K700 VanDerWaalsContact O-N 3.13Å; N697-K700 PolarHBondContact OD1-NZ 3.48Å; E698-K700 VanDerWaalsContact C-N 3.3Å; E698-K700 PolarHBondContact O-N 3.24Å; K700-L702 VanDerWaalsContact C-N 3.31Å; K700-L702 PolarHBondContact O-N 2.87Å; K700-T703 PolarHBondContact O-N 2.94Å; K700-F704 WeakPolarHBondContact O-CB 3.22Å; K700-F704 PolarHBondContact O-N 3.34Å
701F86.4Confident81.7Confident82 Ų8251.2 Ų51.236%0.3627%0.27SS..Hα-helixtrans-65.9-34.6176.6-73.5-67.1000112.5N697 E698 F704 S705 G746 P750N697-F701 HydrophobicContact CB-CE2 4.4Å; N697-F701 WeakPolarHBondContact O-CD2 3.39Å; N697-F701 PolarHBondContact O-N 3.07Å; E698-F701 PolarHBondContact O-N 2.92Å; F701-F704 PolarHBondContact O-N 3.36Å; F701-S705 WeakPolarHBondContact O-CB 3.38Å; F701-S705 PolarHBondContact O-N 2.82Å; F701-S705 PolarHBondContact O-OG 3.3Å; F701-G746 WeakPolarHBondContact CB-O 3.24Å; F701-P750 HydrophobicContact CD1-CG 3.91Å; F701-P750 HydrophobicContact CD2-CB 4.4Å; F701-P750 HydrophobicContact CD2-CG 4.05Å; F701-P750 HydrophobicContact CE1-CG 3.83Å; F701-P750 HydrophobicContact CE2-CB 4.13Å; F701-P750 HydrophobicContact CE2-CG 3.96Å; F701-P750 HydrophobicContact CG-CG 4.03Å; F701-P750 HydrophobicContact CZ-CB 4.32Å; F701-P750 HydrophobicContact CZ-CG 3.85Å
702L86.8Confident82.5Confident4 Ų446.4 Ų46.42%0.02125%0.245CC..Hα-helixtrans-65.3-43.6174.7-154.857.1000111.5V590 T594 E698 K700 S705 M706 I747V590-L702 HydrophobicContact CG1-CD1 3.67Å; V590-L702 HydrophobicContact CG1-CG 4.14Å; T594-L702 HydrophobicContact CG2-CD2 3.22Å; T594-L702 HydrophobicContact CG2-CG 3.7Å; E698-L702 WeakPolarHBondContact O-CB 3.17Å; E698-L702 PolarHBondContact O-N 2.89Å; K700-L702 VanDerWaalsContact C-N 3.31Å; K700-L702 PolarHBondContact O-N 2.87Å; L702-S705 PolarHBondContact O-N 3.3Å; L702-M706 WeakPolarHBondContact O-CG 3.4Å; L702-M706 PolarHBondContact O-N 3.21Å; L702-I747 HydrophobicContact CD1-CD1 3.87Å; L702-I747 HydrophobicContact CD1-CG1 4.02Å
703T88.9Confident83.3Confident16 Ų1646.2 Ų46.210%0.09824%0.242CC..Hα-helixtrans-64.4-44.5175.3-52.90000111.3F683 A686 F687 T699 K700 S705 M706 L707F683-T703 HydrophobicContact CE2-CG2 4.36Å; A686-T703 VanDerWaalsContact C-OG1 3.31Å; A686-T703 PolarHBondContact O-OG1 3.24Å; F687-T703 HydrophobicContact CB-CG2 4.39Å; F687-T703 HydrophobicContact CD2-CG2 4.27Å; T699-T703 WeakPolarHBondContact O-CB 3.33Å; T699-T703 PolarHBondContact O-N 3.06Å; T699-T703 PolarHBondContact O-OG1 3.3Å; K700-T703 PolarHBondContact O-N 2.94Å; T703-S705 PolarHBondContact O-N 2.97Å; T703-M706 PolarHBondContact O-N 3.39Å; T703-L707 WeakPolarHBondContact O-CB 3.29Å; T703-L707 PolarHBondContact O-N 3.19Å
704F90.1Very high84.5Confident121 Ų12145.8 Ų45.853%0.53124%0.237SC..Hα-helixtrans-60.2-45176.4177.5-100.2000112.1K700 F701 M706 L707 L708K700-F704 WeakPolarHBondContact O-CB 3.22Å; K700-F704 PolarHBondContact O-N 3.34Å; F701-F704 PolarHBondContact O-N 3.36Å; F704-M706 PolarHBondContact O-N 3.28Å; F704-L707 PolarHBondContact O-N 3.22Å; F704-L708 PolarHBondContact O-N 3.19Å
705S91.5Very high85.7Confident1 Ų146.2 Ų46.21%0.00725%0.246CC..Hα-helixtrans-63.7-41.8179.2-52.10000111.9F701 L702 T703 F709 G746F701-S705 WeakPolarHBondContact O-CB 3.38Å; F701-S705 PolarHBondContact O-N 2.82Å; F701-S705 PolarHBondContact O-OG 3.3Å; L702-S705 PolarHBondContact O-N 3.3Å; T703-S705 PolarHBondContact O-N 2.97Å; S705-F709 WeakPolarHBondContact O-CB 3.29Å; S705-F709 PolarHBondContact O-N 3.37Å; S705-G746 VanDerWaalsContact OG-CA 3.29Å; S705-G746 WeakPolarHBondContact OG-CA 3.41Å
706M92.3Very high87.1Confident0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-72.4-32.3177.5-72-55.3-48.600113.3V587 V590 A679 T682 F683 L702 T703 F704 F709 C710 L743V587-M706 HydrophobicContact CG1-CE 4.41Å; V590-M706 HydrophobicContact CB-SD 4.34Å; V590-M706 HydrophobicContact CG1-CG 3.95Å; V590-M706 HydrophobicContact CG1-SD 3.74Å; A679-M706 HydrophobicContact CB-CE 4.37Å; T682-M706 HydrophobicContact CG2-CE 3.75Å; T682-M706 HydrophobicContact CG2-CG 3.97Å; T682-M706 HydrophobicContact CG2-SD 3.68Å; F683-M706 HydrophobicContact CB-CB 4.28Å; F683-M706 HydrophobicContact CD2-CB 4.12Å; L702-M706 WeakPolarHBondContact O-CG 3.4Å; L702-M706 PolarHBondContact O-N 3.21Å; T703-M706 PolarHBondContact O-N 3.39Å; F704-M706 PolarHBondContact O-N 3.28Å; M706-F709 HydrophobicContact CE-CD1 4.31Å; M706-F709 PolarHBondContact O-N 2.93Å; M706-C710 PolarHBondContact O-N 3.26Å; M706-C710 PolarHBondContact O-SG 2.94Å; M706-L743 HydrophobicContact SD-CD2 4.11Å
707L91.6Very high88.3Confident92 Ų9246.4 Ų46.448%0.48225%0.246SC..Hα-helixtrans-64-47.2172.9-178.763.9000111F683 T703 F704 F709 C710 S711F683-L707 HydrophobicContact CD2-CB 4.42Å; F683-L707 HydrophobicContact CE2-CB 3.88Å; F683-L707 HydrophobicContact CE2-CD1 3.83Å; F683-L707 HydrophobicContact CE2-CG 4.43Å; F683-L707 HydrophobicContact CZ-CD1 3.89Å; T703-L707 WeakPolarHBondContact O-CB 3.29Å; T703-L707 PolarHBondContact O-N 3.19Å; F704-L707 PolarHBondContact O-N 3.22Å; L707-F709 VanDerWaalsContact C-N 3.32Å; L707-F709 PolarHBondContact O-N 2.98Å; L707-C710 PolarHBondContact O-N 3.4Å; L707-S711 PolarHBondContact O-N 3.31Å; L707-S711 PolarHBondContact O-OG 2.92Å
708L92.2Very high89Confident62 Ų6246.4 Ų46.433%0.32525%0.25SS..Hα-helixtrans-62.4-40176.7-177.365.2000111.6F704 S711 V712 G742F704-L708 PolarHBondContact O-N 3.19Å; L708-S711 PolarHBondContact O-OG 2.9Å; L708-V712 VanDerWaalsContact O-CG2 3.3Å; L708-V712 WeakPolarHBondContact O-CG2 3.16Å; L708-V712 PolarHBondContact O-N 3.39Å; L708-G742 VanDerWaalsContact CD2-CA 3.48Å
709F92.6Very high89.5Confident4 Ų449.7 Ų49.72%0.01827%0.268CS..Hα-helixtrans-59.4-51.6173.3-176-83.7000111.5F583 V587 A679 S705 M706 L707 S711 V712 W713 L743F583-F709 AromaticContact CD1-CE2 3.54Å; F583-F709 HydrophobicContact CD1-CE2 3.54Å; F583-F709 AromaticContact CD1-CZ 3.82Å; F583-F709 HydrophobicContact CD1-CZ 3.82Å; F583-F709 AromaticContact CE1-CE2 3.63Å; F583-F709 HydrophobicContact CE1-CE2 3.63Å; F583-F709 HydrophobicContact CE1-CZ 4.27Å; V587-F709 HydrophobicContact CG2-CE1 4.15Å; V587-F709 HydrophobicContact CG2-CE2 4.04Å; V587-F709 HydrophobicContact CG2-CZ 3.69Å; A679-F709 HydrophobicContact CB-CD1 3.98Å; A679-F709 HydrophobicContact CB-CE1 3.61Å; S705-F709 WeakPolarHBondContact O-CB 3.29Å; S705-F709 PolarHBondContact O-N 3.37Å; M706-F709 HydrophobicContact CE-CD1 4.31Å; M706-F709 PolarHBondContact O-N 2.93Å; L707-F709 VanDerWaalsContact C-N 3.32Å; L707-F709 PolarHBondContact O-N 2.98Å; F709-S711 VanDerWaalsContact C-N 3.34Å; F709-S711 PolarHBondContact O-N 2.58Å; F709-V712 PolarHBondContact O-N 3.28Å; F709-W713 AromaticContact CD1-CD1 3.73Å; F709-W713 AromaticContact CE1-CD1 3.4Å; F709-W713 VanDerWaalsContact CE1-CD1 3.4Å; F709-W713 HydrophobicContact CE1-CG 4.36Å; F709-W713 AromaticContact CE1-NE1 3.79Å; F709-W713 AromaticContact CE2-CD1 4Å; F709-W713 AromaticContact CE2-NE1 3.61Å; F709-W713 AromaticContact CZ-CD1 3.56Å; F709-W713 AromaticContact CZ-NE1 3.4Å; F709-W713 VanDerWaalsContact O-CD1 3.23Å; F709-W713 PolarHBondContact O-N 3.22Å; F709-L743 HydrophobicContact CD2-CD1 3.83Å; F709-L743 HydrophobicContact CD2-CG 4.2Å; F709-L743 HydrophobicContact CE2-CD1 4.12Å
710C92.3Very high89.8Confident27 Ų2751.9 Ų51.918%0.18228%0.276CS..Hα-helixtrans-63-40.2-178.6-65.70000111.8M706 L707 V712 W713 T714M706-C710 PolarHBondContact O-N 3.26Å; M706-C710 PolarHBondContact O-SG 2.94Å; L707-C710 PolarHBondContact O-N 3.4Å; C710-V712 PolarHBondContact O-N 3.1Å; C710-W713 PolarHBondContact O-N 2.88Å; C710-T714 VanDerWaalsContact O-CG2 3.3Å; C710-T714 WeakPolarHBondContact O-CG2 3.35Å; C710-T714 PolarHBondContact O-N 2.95Å; C710-T714 PolarHBondContact O-OG1 3.43Å
711S92.4Very high89.7Confident54 Ų5454.1 Ų54.138%0.37828%0.283SS..Hα-helixtrans-63.3-43.518065.50000112.4L707 L708 F709 W713 T714 A715L707-S711 PolarHBondContact O-N 3.31Å; L707-S711 PolarHBondContact O-OG 2.92Å; L708-S711 PolarHBondContact O-OG 2.9Å; F709-S711 VanDerWaalsContact C-N 3.34Å; F709-S711 PolarHBondContact O-N 2.58Å; S711-W713 PolarHBondContact O-N 3.35Å; S711-T714 WeakPolarHBondContact CA-OG1 3.39Å; S711-T714 PolarHBondContact O-N 3.12Å; S711-T714 PolarHBondContact O-OG1 3.02Å; S711-A715 WeakPolarHBondContact O-CB 3.32Å; S711-A715 PolarHBondContact O-N 2.9Å
712V94Very high89.7Confident23 Ų2354.8 Ų54.814%0.13930%0.298CS..Hα-helixtrans-59-48.1176.61720000111.1L708 F709 C710 A715 F716 S735 A738 S739L708-V712 VanDerWaalsContact O-CG2 3.3Å; L708-V712 WeakPolarHBondContact O-CG2 3.16Å; L708-V712 PolarHBondContact O-N 3.39Å; F709-V712 PolarHBondContact O-N 3.28Å; C710-V712 PolarHBondContact O-N 3.1Å; V712-A715 PolarHBondContact O-N 3.39Å; V712-F716 PolarHBondContact O-N 3.21Å; V712-S735 WeakPolarHBondContact CG1-O 3.49Å; V712-A738 HydrophobicContact CG1-CB 4.36Å; V712-A738 HydrophobicContact CG2-CB 4.22Å; V712-S739 WeakPolarHBondContact CG1-OG 3.41Å
713W91.7Very high89.5Confident38 Ų3855.9 Ų55.914%0.14431%0.307CS..Hα-helixtrans-72.5-28.3-179.2-73.1103.5000113.8F579 F583 F709 C710 S711 F716 I736 S739F579-W713 HydrophobicContact CD2-CH2 4.47Å; F579-W713 AromaticContact CE1-CH2 3.83Å; F579-W713 HydrophobicContact CE1-CH2 3.83Å; F579-W713 HydrophobicContact CE1-CZ2 4.44Å; F579-W713 HydrophobicContact CE1-CZ3 4.27Å; F579-W713 AromaticContact CE2-CH2 3.39Å; F579-W713 HydrophobicContact CE2-CH2 3.39Å; F579-W713 AromaticContact CE2-CZ2 3.36Å; F579-W713 HydrophobicContact CE2-CZ2 3.36Å; F579-W713 AromaticContact CZ-CH2 3Å; F579-W713 HydrophobicContact CZ-CH2 3Å; F579-W713 AromaticContact CZ-CZ2 3.26Å; F579-W713 HydrophobicContact CZ-CZ2 3.26Å; F579-W713 AromaticContact CZ-CZ3 3.75Å; F579-W713 HydrophobicContact CZ-CZ3 3.75Å; F583-W713 HydrophobicContact CE1-CZ2 4.27Å; F709-W713 AromaticContact CD1-CD1 3.73Å; F709-W713 AromaticContact CE1-CD1 3.4Å; F709-W713 VanDerWaalsContact CE1-CD1 3.4Å; F709-W713 HydrophobicContact CE1-CG 4.36Å; F709-W713 AromaticContact CE1-NE1 3.79Å; F709-W713 AromaticContact CE2-CD1 4Å; F709-W713 AromaticContact CE2-NE1 3.61Å; F709-W713 AromaticContact CZ-CD1 3.56Å; F709-W713 AromaticContact CZ-NE1 3.4Å; F709-W713 VanDerWaalsContact O-CD1 3.23Å; F709-W713 PolarHBondContact O-N 3.22Å; C710-W713 PolarHBondContact O-N 2.88Å; S711-W713 PolarHBondContact O-N 3.35Å; W713-F716 HydrophobicContact CE3-CB 4.21Å; W713-F716 AromaticContact CE3-CD1 3.86Å; W713-F716 HydrophobicContact CE3-CD1 3.86Å; W713-F716 HydrophobicContact CE3-CG 4.07Å; W713-F716 AromaticContact CZ3-CD1 3.86Å; W713-F716 HydrophobicContact CZ3-CD1 3.86Å; W713-F716 HydrophobicContact CZ3-CE1 4.15Å; W713-F716 HydrophobicContact CZ3-CG 4.07Å; W713-I736 HydrophobicContact CH2-CG1 4.2Å; W713-I736 HydrophobicContact CZ2-CG1 4.35Å; W713-S739 PolarHBondContact NE1-OG 3.21Å
714T89.4Confident89Confident96 Ų9664.1 Ų64.159%0.58934%0.336SS*.Hα-helixtrans-69.2-34.4170.355.50000112.6C710 S711 P718C710-T714 VanDerWaalsContact O-CG2 3.3Å; C710-T714 WeakPolarHBondContact O-CG2 3.35Å; C710-T714 PolarHBondContact O-N 2.95Å; C710-T714 PolarHBondContact O-OG1 3.43Å; S711-T714 WeakPolarHBondContact CA-OG1 3.39Å; S711-T714 PolarHBondContact O-N 3.12Å; S711-T714 PolarHBondContact O-OG1 3.02Å; T714-P718 VanDerWaalsContact O-CD 3.31Å; T714-P718 WeakPolarHBondContact O-CD 3.37Å
715A91Very high88.5Confident46 Ų4658.6 Ų58.638%0.3831%0.313SS..Hα-helixtrans-75.9-27.2176.200000112.8S711 V712 P718 L719S711-A715 WeakPolarHBondContact O-CB 3.32Å; S711-A715 PolarHBondContact O-N 2.9Å; V712-A715 PolarHBondContact O-N 3.39Å; A715-P718 VanDerWaalsContact O-CD 3.31Å; A715-P718 WeakPolarHBondContact O-CD 3.44Å; A715-P718 WeakPolarHBondContact O-CG 3.32Å; A715-L719 WeakPolarHBondContact O-CD1 3.35Å; A715-L719 WeakPolarHBondContact O-CG 3.34Å
716F90.1Very high88Confident8 Ų862.8 Ų62.84%0.03533%0.331CS..Hα-helixtrans-59.5-46.7177.6169.6-104.8000112.9V712 W713 L719 Y720 V731 E732V712-F716 PolarHBondContact O-N 3.21Å; W713-F716 HydrophobicContact CE3-CB 4.21Å; W713-F716 AromaticContact CE3-CD1 3.86Å; W713-F716 HydrophobicContact CE3-CD1 3.86Å; W713-F716 HydrophobicContact CE3-CG 4.07Å; W713-F716 AromaticContact CZ3-CD1 3.86Å; W713-F716 HydrophobicContact CZ3-CD1 3.86Å; W713-F716 HydrophobicContact CZ3-CE1 4.15Å; W713-F716 HydrophobicContact CZ3-CG 4.07Å; F716-L719 PolarHBondContact O-N 3.45Å; F716-L719 VanDerWaalsContact O-N 3.14Å; F716-Y720 HydrophobicContact CE1-CD2 4.38Å; F716-Y720 HydrophobicContact CE1-CG 4.38Å; F716-Y720 AromaticContact CE2-CD2 3.98Å; F716-Y720 HydrophobicContact CE2-CD2 3.98Å; F716-Y720 HydrophobicContact CE2-CG 4.37Å; F716-Y720 AromaticContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CE2 4.32Å; F716-Y720 AromaticContact CZ-CG 3.88Å; F716-Y720 HydrophobicContact CZ-CG 3.88Å; F716-Y720 WeakPolarHBondContact O-CB 3.45Å; F716-Y720 PolarHBondContact O-N 3.41Å; F716-V731 HydrophobicContact CD2-CG1 3.91Å; F716-V731 HydrophobicContact CE2-CG1 4.21Å; F716-E732 HydrophobicContact CE2-CB 4.23Å; F716-E732 HydrophobicContact CE2-CG 3.45Å; F716-E732 VanDerWaalsContact CE2-CG 3.45Å; F716-E732 HydrophobicContact CZ-CG 3.69Å
717L85.7Confident87.6Confident80 Ų8065.8 Ų65.842%0.41935%0.352SS..Hα-helixtrans-52.7-54.6-175.4-74.6167.4000114.1F669 L719 Y720 Y721F669-L717 HydrophobicContact CE1-CD2 4.23Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 2.9Å; L717-Y720 PolarHBondContact O-N 3.23Å; L717-Y721 WeakPolarHBondContact O-CD2 3.49Å
718P87.5Confident87.4Confident82 Ų8262.5 Ų62.553%0.53234%0.337SS..Hα-helixtrans-67.6-31.6178.525.8-34.7000113.3T714 A715 S722T714-P718 VanDerWaalsContact O-CD 3.31Å; T714-P718 WeakPolarHBondContact O-CD 3.37Å; A715-P718 VanDerWaalsContact O-CD 3.31Å; A715-P718 WeakPolarHBondContact O-CD 3.44Å; A715-P718 WeakPolarHBondContact O-CG 3.32Å; P718-S722 WeakPolarHBondContact O-CB 3.4Å; P718-S722 PolarHBondContact O-N 3.24Å
719L88Confident87.2Confident91 Ų9160.5 Ų60.548%0.47633%0.327SS..Hα-helixtrans-71.3-37.4178.7-70.6172.6000112.2A715 F716 L717 Y721 S722 A723 V731A715-L719 WeakPolarHBondContact O-CD1 3.35Å; A715-L719 WeakPolarHBondContact O-CG 3.34Å; F716-L719 PolarHBondContact O-N 3.45Å; F716-L719 VanDerWaalsContact O-N 3.14Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 2.9Å; L719-Y721 VanDerWaalsContact C-N 3.33Å; L719-Y721 PolarHBondContact O-N 3.09Å; L719-S722 PolarHBondContact O-N 2.82Å; L719-A723 WeakPolarHBondContact O-CB 3.39Å; L719-A723 PolarHBondContact O-N 3.18Å; L719-V731 HydrophobicContact CB-CG1 3.71Å; L719-V731 HydrophobicContact CD1-CG1 4.37Å
720Y85.6Confident87.1Confident49 Ų4961 Ų6119%0.19233%0.331CS..Hα-helixtrans-60.4-40.5176.9177.7-94.2000112D662 F716 L717 E732D662-Y720 PolarHBondContact OD2-OH 3.24Å; D662-Y720 VanDerWaalsContact OD2-OH 3.09Å; F716-Y720 HydrophobicContact CE1-CD2 4.38Å; F716-Y720 HydrophobicContact CE1-CG 4.38Å; F716-Y720 AromaticContact CE2-CD2 3.98Å; F716-Y720 HydrophobicContact CE2-CD2 3.98Å; F716-Y720 HydrophobicContact CE2-CG 4.37Å; F716-Y720 AromaticContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CE2 4.32Å; F716-Y720 AromaticContact CZ-CG 3.88Å; F716-Y720 HydrophobicContact CZ-CG 3.88Å; F716-Y720 WeakPolarHBondContact O-CB 3.45Å; F716-Y720 PolarHBondContact O-N 3.41Å; L717-Y720 PolarHBondContact O-N 3.23Å; Y720-E732 HydrophobicContact CD2-CG 4.36Å; Y720-E732 WeakPolarHBondContact CE2-OE1 3.5Å
721Y84.2Confident87.1Confident161 Ų16161.2 Ų61.263%0.63133%0.332SS*.Hα-helixtrans-77-26178-80.8-71.6000114.7F669 L717 L719F669-Y721 VanDerWaalsContact CE2-OH 3.27Å; F669-Y721 WeakPolarHBondContact CE2-OH 3.29Å; F669-Y721 HydrophobicContact CZ-CE2 4.14Å; F669-Y721 AromaticContact CZ-CZ 3.82Å; F669-Y721 WeakPolarHBondContact CZ-OH 3.11Å; L717-Y721 WeakPolarHBondContact O-CD2 3.49Å; L719-Y721 VanDerWaalsContact C-N 3.33Å; L719-Y721 PolarHBondContact O-N 3.09Å
722S85.3Confident87Confident96 Ų9659.2 Ų59.267%0.67132%0.316SS*.Hα-helixtrans-86.5-35.4-177.7-175.60000112.5P718 L719P718-S722 WeakPolarHBondContact O-CB 3.4Å; P718-S722 PolarHBondContact O-N 3.24Å; L719-S722 PolarHBondContact O-N 2.82Å
723A83.5Confident87Confident26 Ų2658.1 Ų58.122%0.21531%0.31CS..  trans-67144.7178.900000111.3L719 T728L719-A723 WeakPolarHBondContact O-CB 3.39Å; L719-A723 PolarHBondContact O-N 3.18Å; A723-T728 VanDerWaalsContact C-CG2 3.48Å; A723-T728 HydrophobicContact CB-CG2 3.79Å; A723-T728 WeakPolarHBondContact O-CG2 3.34Å
724R78.7Confident87Confident189 Ų18962.8 Ų62.871%0.71333%0.331SS*.  trans-122.7154.5174-65.4-169.2-179-173.20.3111S727R724-S727 PolarHBondContact O-N 3.12Å
725G78.6Confident87.2Confident5 Ų558.5 Ų58.55%0.05231%0.305CS..THydrogen-bonded Turntrans58.3-139.7176.500000112.9S727 T728G725-S727 PolarHBondContact O-N 3.42Å; G725-S727 VanDerWaalsContact O-N 3.12Å; G725-T728 PolarHBondContact O-N 3.07Å; G725-T728 PolarHBondContact O-OG1 2.88Å
726K81.9Confident87.4Confident89 Ų8956.4 Ų56.439%0.38729%0.288SS..Hα-helixtrans-61.6-19.6-17764.8179.6-176.7174.50115L501 E505 T728 A730L501-K726 HydrophobicContact CB-CB 4.36Å; L501-K726 HydrophobicContact CD1-CB 4.45Å; E505-K726 IonicContact OE2-NZ 2.8Å; E505-K726 PolarHBondContact OE2-NZ 3.02Å; K726-T728 VanDerWaalsContact C-N 3.32Å; K726-T728 PolarHBondContact O-N 2.82Å; K726-A730 PolarHBondContact O-N 3.17Å
727S83.8Confident87.6Confident63 Ų6356.4 Ų56.444%0.44129%0.288SS..Hα-helixtrans-70.3-26.3179.8-58.30000113.2R724 G725 A730 V731R724-S727 PolarHBondContact O-N 3.12Å; G725-S727 PolarHBondContact O-N 3.42Å; G725-S727 VanDerWaalsContact O-N 3.12Å; S727-A730 PolarHBondContact O-N 2.88Å; S727-V731 WeakPolarHBondContact O-CG2 3.37Å; S727-V731 PolarHBondContact O-N 2.91Å
728T86.6Confident88.1Confident24 Ų2454 Ų5415%0.14728%0.279CS..Hα-helixtrans-60.1-48.5176.554.90000111.4A723 G725 K726 A730 V731 E732A723-T728 VanDerWaalsContact C-CG2 3.48Å; A723-T728 HydrophobicContact CB-CG2 3.79Å; A723-T728 WeakPolarHBondContact O-CG2 3.34Å; G725-T728 PolarHBondContact O-N 3.07Å; G725-T728 PolarHBondContact O-OG1 2.88Å; K726-T728 VanDerWaalsContact C-N 3.32Å; K726-T728 PolarHBondContact O-N 2.82Å; T728-A730 VanDerWaalsContact C-N 3.34Å; T728-A730 PolarHBondContact O-N 3.36Å; T728-V731 PolarHBondContact O-N 3.47Å; T728-E732 PolarHBondContact O-N 3.37Å
729V88.9Confident88.4Confident20 Ų2050.1 Ų50.112%0.12125%0.254CS..Hα-helixtrans-64.6-37.7178.9-176.20000111.5L501 F563 V731 E732 I733L501-V729 HydrophobicContact CD2-CG1 4.21Å; F563-V729 HydrophobicContact CB-CG1 3.84Å; F563-V729 HydrophobicContact CD1-CG1 4.33Å; F563-V729 WeakPolarHBondContact O-CG1 3.33Å; V729-V731 VanDerWaalsContact C-N 3.34Å; V729-V731 PolarHBondContact O-N 3.49Å; V729-E732 PolarHBondContact O-N 3.11Å; V729-I733 HydrophobicContact CG1-CD1 4.17Å; V729-I733 WeakPolarHBondContact O-CG1 3.31Å; V729-I733 PolarHBondContact O-N 3.28Å; V729-I733 VanDerWaalsContact O-N 3.11Å
730A90.1Very high88.7Confident13 Ų1345.8 Ų45.811%0.10723%0.232CC..Hα-helixtrans-63.7-38.5177.200000112.6L501 L507 L511 K726 S727 T728 I733 F734L501-A730 HydrophobicContact CD1-CB 4.44Å; L501-A730 HydrophobicContact CD2-CB 4.4Å; L507-A730 HydrophobicContact CD2-CB 3.92Å; L511-A730 HydrophobicContact CD1-CB 4.42Å; K726-A730 PolarHBondContact O-N 3.17Å; S727-A730 PolarHBondContact O-N 2.88Å; T728-A730 VanDerWaalsContact C-N 3.34Å; T728-A730 PolarHBondContact O-N 3.36Å; A730-I733 PolarHBondContact O-N 3.19Å; A730-F734 WeakPolarHBondContact O-CB 3.36Å; A730-F734 PolarHBondContact O-N 3.36Å
731V91.8Very high89.1Confident32 Ų3245.3 Ų45.319%0.19424%0.238CC..Hα-helixtrans-65.2-38.5176.5169.70000111.7F716 L719 S727 T728 V729 S735F716-V731 HydrophobicContact CD2-CG1 3.91Å; F716-V731 HydrophobicContact CE2-CG1 4.21Å; L719-V731 HydrophobicContact CB-CG1 3.71Å; L719-V731 HydrophobicContact CD1-CG1 4.37Å; S727-V731 WeakPolarHBondContact O-CG2 3.37Å; S727-V731 PolarHBondContact O-N 2.91Å; T728-V731 PolarHBondContact O-N 3.47Å; V729-V731 VanDerWaalsContact C-N 3.34Å; V729-V731 PolarHBondContact O-N 3.49Å; V731-S735 WeakPolarHBondContact O-CB 3.47Å; V731-S735 PolarHBondContact O-N 2.98Å; V731-S735 VanDerWaalsContact O-N 3.08Å; V731-S735 PolarHBondContact O-OG 2.93Å
732E91.1Very high89.6Confident12 Ų1238 Ų386%0.05621%0.212CC..Hα-helixtrans-61.6-51.3174.1-72.5-177.2152.100111.5F563 Q576 F716 Y720 T728 V729 F734 S735 I736F563-E732 VanDerWaalsContact CD1-OE2 3.31Å; F563-E732 WeakPolarHBondContact CD1-OE2 3.35Å; F563-E732 HydrophobicContact CE1-CB 4.42Å; F563-E732 WeakPolarHBondContact CE1-OE2 3.27Å; Q576-E732 PolarHBondContact NE2-OE1 3.36Å; F716-E732 HydrophobicContact CE2-CB 4.23Å; F716-E732 HydrophobicContact CE2-CG 3.45Å; F716-E732 VanDerWaalsContact CE2-CG 3.45Å; F716-E732 HydrophobicContact CZ-CG 3.69Å; Y720-E732 HydrophobicContact CD2-CG 4.36Å; Y720-E732 WeakPolarHBondContact CE2-OE1 3.5Å; T728-E732 PolarHBondContact O-N 3.37Å; V729-E732 PolarHBondContact O-N 3.11Å; E732-F734 VanDerWaalsContact C-N 3.31Å; E732-F734 PolarHBondContact O-N 3.33Å; E732-S735 PolarHBondContact O-N 3.02Å; E732-S735 VanDerWaalsContact O-N 3.16Å; E732-I736 WeakPolarHBondContact O-CG1 3.45Å; E732-I736 PolarHBondContact O-N 3.19Å
733I93.4Very high89.9Confident0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-58.9-45.2179.4-65.8166000110.6L501 L511 A560 F563 L564 V729 A730 S735 I736 L737L501-I733 HydrophobicContact CD2-CD1 3.82Å; L511-I733 HydrophobicContact CB-CG2 4.01Å; L511-I733 HydrophobicContact CD1-CB 4.27Å; L511-I733 HydrophobicContact CD1-CD1 4.26Å; L511-I733 HydrophobicContact CD1-CG2 4.04Å; L511-I733 HydrophobicContact CD2-CG2 4.09Å; L511-I733 HydrophobicContact CG-CG2 4.27Å; A560-I733 HydrophobicContact CB-CG2 3.93Å; F563-I733 HydrophobicContact CB-CD1 3.72Å; F563-I733 HydrophobicContact CB-CG1 3.65Å; F563-I733 HydrophobicContact CG-CG1 4.22Å; L564-I733 HydrophobicContact CD2-CD1 4.27Å; L564-I733 HydrophobicContact CG-CD1 3.98Å; V729-I733 HydrophobicContact CG1-CD1 4.17Å; V729-I733 WeakPolarHBondContact O-CG1 3.31Å; V729-I733 PolarHBondContact O-N 3.28Å; V729-I733 VanDerWaalsContact O-N 3.11Å; A730-I733 PolarHBondContact O-N 3.19Å; I733-S735 VanDerWaalsContact C-N 3.3Å; I733-S735 PolarHBondContact O-N 3.04Å; I733-I736 PolarHBondContact O-N 2.88Å; I733-L737 HydrophobicContact CG2-CD1 3.74Å; I733-L737 HydrophobicContact CG2-CG 4.2Å; I733-L737 WeakPolarHBondContact O-CG 3.29Å; I733-L737 PolarHBondContact O-N 2.85Å
734F92.9Very high90.3Very high137 Ų13732.5 Ų32.560%0.60117%0.171SC*.Hα-helixtrans-58.9-43.3178.3-177.3-94.7000111.9A730 E732 L737 A738A730-F734 WeakPolarHBondContact O-CB 3.36Å; A730-F734 PolarHBondContact O-N 3.36Å; E732-F734 VanDerWaalsContact C-N 3.31Å; E732-F734 PolarHBondContact O-N 3.33Å; F734-L737 PolarHBondContact O-N 3.35Å; F734-A738 HydrophobicContact CE1-CB 4.49Å; F734-A738 VanDerWaalsContact O-CB 3.23Å; F734-A738 WeakPolarHBondContact O-CB 3.49Å; F734-A738 PolarHBondContact O-N 3.21Å
735S93.7Very high90.8Very high5 Ų524.4 Ų24.44%0.03515%0.146CC..Hα-helixtrans-65.6-39.6-179.9-570000112.2V712 V731 E732 I733 S739V712-S735 WeakPolarHBondContact CG1-O 3.49Å; V731-S735 WeakPolarHBondContact O-CB 3.47Å; V731-S735 PolarHBondContact O-N 2.98Å; V731-S735 VanDerWaalsContact O-N 3.08Å; V731-S735 PolarHBondContact O-OG 2.93Å; E732-S735 PolarHBondContact O-N 3.02Å; E732-S735 VanDerWaalsContact O-N 3.16Å; I733-S735 VanDerWaalsContact C-N 3.3Å; I733-S735 PolarHBondContact O-N 3.04Å; S735-S739 VanDerWaalsContact O-CB 3.26Å; S735-S739 WeakPolarHBondContact O-CB 3.47Å; S735-S739 PolarHBondContact O-N 3.11Å; S735-S739 VanDerWaalsContact O-N 3.08Å; S735-S739 PolarHBondContact O-OG 3.5Å
736I94.3Very high91.2Very high3 Ų324.6 Ų24.62%0.01515%0.148CC..Hα-helixtrans-62.1-50.9174.6-71169.5000110.9C556 F563 F579 F583 W713 E732 I733 S739 T740C556-I736 VanDerWaalsContact O-CG2 3.26Å; C556-I736 WeakPolarHBondContact O-CG2 3.27Å; F563-I736 HydrophobicContact CD2-CD1 4.49Å; F563-I736 HydrophobicContact CE2-CD1 3.89Å; F563-I736 HydrophobicContact CZ-CD1 4.1Å; F579-I736 HydrophobicContact CD2-CD1 3.67Å; F579-I736 HydrophobicContact CD2-CG1 3.64Å; F579-I736 HydrophobicContact CE2-CD1 4.26Å; F579-I736 HydrophobicContact CE2-CG1 3.76Å; F579-I736 HydrophobicContact CG-CD1 4.16Å; F583-I736 HydrophobicContact CE2-CG1 4.47Å; F583-I736 HydrophobicContact CE2-CG2 3.86Å; F583-I736 HydrophobicContact CZ-CB 4.39Å; F583-I736 HydrophobicContact CZ-CG2 3.98Å; W713-I736 HydrophobicContact CH2-CG1 4.2Å; W713-I736 HydrophobicContact CZ2-CG1 4.35Å; E732-I736 WeakPolarHBondContact O-CG1 3.45Å; E732-I736 PolarHBondContact O-N 3.19Å; I733-I736 PolarHBondContact O-N 2.88Å; I736-S739 PolarHBondContact O-N 3.13Å; I736-T740 WeakPolarHBondContact O-CB 3.45Å; I736-T740 PolarHBondContact O-N 2.94Å; I736-T740 PolarHBondContact O-OG1 3.14Å
737L95.1Very high91.6Very high8 Ų820.7 Ų20.74%0.04213%0.131CC..Hα-helixtrans-68.3-43.1-176.5-65.2177.2000111.9L511 V514 A515 L518 A560 I733 F734 S739 T740 A741L511-L737 HydrophobicContact CD2-CD1 4.37Å; V514-L737 HydrophobicContact CB-CD1 4.27Å; V514-L737 HydrophobicContact CG1-CD1 4.03Å; A515-L737 HydrophobicContact CB-CD1 4.44Å; A515-L737 HydrophobicContact CB-CD2 3.79Å; L518-L737 HydrophobicContact CD1-CB 4.19Å; L518-L737 HydrophobicContact CD1-CD2 4.16Å; A560-L737 HydrophobicContact CB-CD2 4.03Å; A560-L737 HydrophobicContact CB-CG 4.34Å; I733-L737 HydrophobicContact CG2-CD1 3.74Å; I733-L737 HydrophobicContact CG2-CG 4.2Å; I733-L737 WeakPolarHBondContact O-CG 3.29Å; I733-L737 PolarHBondContact O-N 2.85Å; F734-L737 PolarHBondContact O-N 3.35Å; L737-S739 PolarHBondContact O-N 3.25Å; L737-T740 PolarHBondContact O-N 3.12Å; L737-A741 WeakPolarHBondContact O-CB 3.41Å; L737-A741 PolarHBondContact O-N 3.29Å
738A95Very high91.8Very high28 Ų2817.7 Ų17.723%0.23111%0.111CC..Hα-helixtrans-61.6-44176.900000111.9V712 F734 A741 G742V712-A738 HydrophobicContact CG1-CB 4.36Å; V712-A738 HydrophobicContact CG2-CB 4.22Å; F734-A738 HydrophobicContact CE1-CB 4.49Å; F734-A738 VanDerWaalsContact O-CB 3.23Å; F734-A738 WeakPolarHBondContact O-CB 3.49Å; F734-A738 PolarHBondContact O-N 3.21Å; A738-A741 PolarHBondContact O-N 3.01Å; A738-G742 PolarHBondContact O-N 2.93Å
739S94.6Very high91.8Very high1 Ų121.2 Ų21.21%0.00713%0.128CC..Hα-helixtrans-63.9-41.9176.6-62.40000112.2V712 W713 S735 I736 L737 G742 L743V712-S739 WeakPolarHBondContact CG1-OG 3.41Å; W713-S739 PolarHBondContact NE1-OG 3.21Å; S735-S739 VanDerWaalsContact O-CB 3.26Å; S735-S739 WeakPolarHBondContact O-CB 3.47Å; S735-S739 PolarHBondContact O-N 3.11Å; S735-S739 VanDerWaalsContact O-N 3.08Å; S735-S739 PolarHBondContact O-OG 3.5Å; I736-S739 PolarHBondContact O-N 3.13Å; L737-S739 PolarHBondContact O-N 3.25Å; S739-G742 PolarHBondContact O-N 2.73Å; S739-L743 WeakPolarHBondContact O-CG 3.33Å; S739-L743 PolarHBondContact O-N 2.99Å
740T94.5Very high91.5Very high1 Ų121.9 Ų21.91%0.00613%0.132CC..Hα-helixtrans-65.7-45178.3-560000111.3L553 C556 A557 I736 L737 G742 L743 L744L553-T740 HydrophobicContact CB-CG2 4.28Å; L553-T740 HydrophobicContact CD2-CG2 4.05Å; L553-T740 VanDerWaalsContact O-CG2 3.3Å; L553-T740 WeakPolarHBondContact O-CG2 3.49Å; C556-T740 HydrophobicContact CB-CG2 4.09Å; C556-T740 WeakPolarHBondContact CB-OG1 3.19Å; A557-T740 HydrophobicContact CB-CG2 4.2Å; I736-T740 WeakPolarHBondContact O-CB 3.45Å; I736-T740 PolarHBondContact O-N 2.94Å; I736-T740 PolarHBondContact O-OG1 3.14Å; L737-T740 PolarHBondContact O-N 3.12Å; T740-G742 VanDerWaalsContact C-N 3.32Å; T740-G742 PolarHBondContact O-N 3.12Å; T740-L743 PolarHBondContact O-N 3.46Å; T740-L744 VanDerWaalsContact O-CB 3.26Å; T740-L744 WeakPolarHBondContact O-CB 3.26Å; T740-L744 PolarHBondContact O-N 2.98Å
741A94.3Very high91.2Very high39 Ų3921.9 Ų21.932%0.32213%0.13SC..Hα-helixtrans-61.8-40.5175.100000111.8L518 L737 A738 G745L518-A741 HydrophobicContact CD1-CB 4.09Å; L518-A741 HydrophobicContact CD2-CB 3.86Å; L737-A741 WeakPolarHBondContact O-CB 3.41Å; L737-A741 PolarHBondContact O-N 3.29Å; A738-A741 PolarHBondContact O-N 3.01Å; A741-G745 WeakPolarHBondContact O-CA 3.44Å; A741-G745 PolarHBondContact O-N 3.46Å
742G92.8Very high90.9Very high8 Ų821.2 Ų21.28%0.08213%0.126CC..Hα-helixtrans-61.4-49176.500000113.4L708 A738 S739 T740 G746L708-G742 VanDerWaalsContact CD2-CA 3.48Å; A738-G742 PolarHBondContact O-N 2.93Å; S739-G742 PolarHBondContact O-N 2.73Å; T740-G742 VanDerWaalsContact C-N 3.32Å; T740-G742 PolarHBondContact O-N 3.12Å; G742-G746 PolarHBondContact O-N 3.14Å
743L92.4Very high90.4Very high1 Ų123.3 Ų23.31%0.00514%0.142CC..Hα-helixtrans-66.6-44.2177.7-71175.5000112.2L553 V590 M706 F709 S739 T740 I747L553-L743 HydrophobicContact CD1-CB 4.31Å; L553-L743 HydrophobicContact CD2-CB 3.72Å; L553-L743 HydrophobicContact CD2-CD1 3.91Å; L553-L743 HydrophobicContact CD2-CG 4.48Å; V590-L743 HydrophobicContact CG2-CD2 4.45Å; M706-L743 HydrophobicContact SD-CD2 4.11Å; F709-L743 HydrophobicContact CD2-CD1 3.83Å; F709-L743 HydrophobicContact CD2-CG 4.2Å; F709-L743 HydrophobicContact CE2-CD1 4.12Å; S739-L743 WeakPolarHBondContact O-CG 3.33Å; S739-L743 PolarHBondContact O-N 2.99Å; T740-L743 PolarHBondContact O-N 3.46Å; L743-I747 HydrophobicContact CD2-CD1 4.17Å; L743-I747 VanDerWaalsContact O-CB 3.26Å; L743-I747 WeakPolarHBondContact O-CB 3.32Å; L743-I747 VanDerWaalsContact O-CG1 3.28Å; L743-I747 WeakPolarHBondContact O-CG1 3.08Å; L743-I747 PolarHBondContact O-N 3.12Å
744L92.4Very high89.8Confident5 Ų524.6 Ų24.63%0.02615%0.148CC..Hα-helixtrans-64.2-47178-176.663.7000111L521 A522 L550 L553 T740 F748L521-L744 HydrophobicContact CB-CD2 4.2Å; L521-L744 HydrophobicContact CD2-CD2 3.8Å; L521-L744 HydrophobicContact CG-CD2 3.97Å; A522-L744 HydrophobicContact CB-CD1 4.14Å; A522-L744 HydrophobicContact CB-CD2 4.12Å; L550-L744 HydrophobicContact CD2-CD1 3.85Å; L553-L744 HydrophobicContact CD1-CB 4.25Å; L553-L744 HydrophobicContact CD1-CD1 4.33Å; T740-L744 VanDerWaalsContact O-CB 3.26Å; T740-L744 WeakPolarHBondContact O-CB 3.26Å; T740-L744 PolarHBondContact O-N 2.98Å; L744-F748 HydrophobicContact CD1-CD2 4.09Å; L744-F748 WeakPolarHBondContact O-CB 3.3Å; L744-F748 PolarHBondContact O-N 2.69Å; L744-F748 VanDerWaalsContact O-N 3.12Å
745G89.2Confident89.2Confident19 Ų1918.5 Ų18.520%0.19612%0.122CC..Hα-helixtrans-65.2-53.8-176.800000112.5A741 I749A741-G745 WeakPolarHBondContact O-CA 3.44Å; A741-G745 PolarHBondContact O-N 3.46Å; G745-I749 VanDerWaalsContact CA-CD1 3.44Å; G745-I749 WeakPolarHBondContact O-CB 3.1Å; G745-I749 VanDerWaalsContact O-CG1 3.32Å; G745-I749 WeakPolarHBondContact O-CG1 3.1Å; G745-I749 PolarHBondContact O-N 3.01Å
746G87.4Confident88.6Confident9 Ų923.1 Ų23.19%0.09315%0.145CC..Hα-helixtrans-69-37.9-176.800000113.3F701 S705 G742F701-G746 WeakPolarHBondContact CB-O 3.24Å; S705-G746 VanDerWaalsContact OG-CA 3.29Å; S705-G746 WeakPolarHBondContact OG-CA 3.41Å; G742-G746 PolarHBondContact O-N 3.14Å
747I88.6Confident88Confident6 Ų629.3 Ų29.33%0.03118%0.178CC..Hα-helixtrans-84.6-36.8-173.4-58.9174.6000112.7L549 V590 L702 L743L549-I747 HydrophobicContact CD2-CD1 3.92Å; L549-I747 HydrophobicContact CD2-CG2 4.28Å; V590-I747 HydrophobicContact CG2-CD1 3.79Å; L702-I747 HydrophobicContact CD1-CD1 3.87Å; L702-I747 HydrophobicContact CD1-CG1 4.02Å; L743-I747 HydrophobicContact CD2-CD1 4.17Å; L743-I747 VanDerWaalsContact O-CB 3.26Å; L743-I747 WeakPolarHBondContact O-CB 3.32Å; L743-I747 VanDerWaalsContact O-CG1 3.28Å; L743-I747 WeakPolarHBondContact O-CG1 3.08Å; L743-I747 PolarHBondContact O-N 3.12Å
748F88.8Confident87Confident1 Ų133.9 Ų33.90%0.00420%0.198CC..Hα-helixtrans-110.3-28.4-168-64.7-82.7000115V525 F529 L549 L550 L553 L744 K751 C752V525-F748 HydrophobicContact CG1-CB 3.93Å; V525-F748 HydrophobicContact CG1-CD1 4.06Å; V525-F748 HydrophobicContact CG1-CG 4.12Å; F529-F748 HydrophobicContact CE1-CD1 4.19Å; F529-F748 HydrophobicContact CE1-CE1 4.17Å; F529-F748 AromaticContact CE2-CD1 4Å; F529-F748 HydrophobicContact CE2-CD1 4Å; F529-F748 AromaticContact CZ-CD1 3.66Å; F529-F748 HydrophobicContact CZ-CD1 3.66Å; F529-F748 HydrophobicContact CZ-CE1 4.11Å; L549-F748 HydrophobicContact CB-CZ 4.33Å; L549-F748 HydrophobicContact CD2-CE2 3.69Å; L549-F748 HydrophobicContact CD2-CZ 3.74Å; L549-F748 HydrophobicContact CG-CE2 3.94Å; L549-F748 HydrophobicContact CG-CZ 4.04Å; L550-F748 HydrophobicContact CD1-CD1 4.13Å; L550-F748 HydrophobicContact CD1-CE1 3.67Å; L550-F748 HydrophobicContact CD1-CZ 4.04Å; L550-F748 HydrophobicContact CD2-CD1 4.01Å; L550-F748 HydrophobicContact CD2-CD2 3.8Å; L550-F748 HydrophobicContact CD2-CE1 3.9Å; L550-F748 HydrophobicContact CD2-CE2 3.68Å; L550-F748 HydrophobicContact CD2-CG 3.96Å; L550-F748 HydrophobicContact CD2-CZ 3.73Å; L550-F748 HydrophobicContact CG-CD1 4.24Å; L550-F748 HydrophobicContact CG-CD2 4.5Å; L550-F748 HydrophobicContact CG-CE1 3.67Å; L550-F748 HydrophobicContact CG-CE2 3.95Å; L550-F748 HydrophobicContact CG-CZ 3.5Å; L553-F748 HydrophobicContact CD1-CE2 4.05Å; L744-F748 HydrophobicContact CD1-CD2 4.09Å; L744-F748 WeakPolarHBondContact O-CB 3.3Å; L744-F748 PolarHBondContact O-N 2.69Å; L744-F748 VanDerWaalsContact O-N 3.12Å; F748-K751 PolarHBondContact O-N 3.16Å; F748-K751 VanDerWaalsContact O-N 3.09Å; F748-C752 PolarHBondContact O-N 3.18Å; F748-C752 PolarHBondContact O-SG 3.36Å
749I85.8Confident85.9Confident98 Ų9836.3 Ų36.350%0.50321%0.211SC..Hα-helixtrans-57.2-48.8179.4-65.6174.8000111.9G745 K751 C752 C753G745-I749 VanDerWaalsContact CA-CD1 3.44Å; G745-I749 WeakPolarHBondContact O-CB 3.1Å; G745-I749 VanDerWaalsContact O-CG1 3.32Å; G745-I749 WeakPolarHBondContact O-CG1 3.1Å; G745-I749 PolarHBondContact O-N 3.01Å; I749-K751 PolarHBondContact O-N 3.26Å; I749-K751 VanDerWaalsContact O-N 3.14Å; I749-C752 PolarHBondContact O-N 3.36Å; I749-C753 PolarHBondContact O-N 3.5Å; I749-C753 PolarHBondContact O-SG 3.09Å
750P83.2Confident84.5Confident33 Ų3341.5 Ų41.521%0.21424%0.235CC..Hα-helixtrans-58.1-32.8179-24.334.6000112.9F701 I754F701-P750 HydrophobicContact CD1-CG 3.91Å; F701-P750 HydrophobicContact CD2-CB 4.4Å; F701-P750 HydrophobicContact CD2-CG 4.05Å; F701-P750 HydrophobicContact CE1-CG 3.83Å; F701-P750 HydrophobicContact CE2-CB 4.13Å; F701-P750 HydrophobicContact CE2-CG 3.96Å; F701-P750 HydrophobicContact CG-CG 4.03Å; F701-P750 HydrophobicContact CZ-CB 4.32Å; F701-P750 HydrophobicContact CZ-CG 3.85Å; P750-I754 WeakPolarHBondContact O-CG1 3.37Å; P750-I754 PolarHBondContact O-N 3.4Å
751K84.6Confident83Confident13 Ų1344.8 Ų44.86%0.05725%0.249CC..Hα-helixtrans-79-41.6-178-67.6177.5174.5165.80112.5F529 N541 E698 F748 I749 C753 I754 I755F529-K751 HydrophobicContact CZ-CB 4.04Å; F529-K751 HydrophobicContact CZ-CD 4.3Å; N541-K751 PolarHBondContact ND2-NZ 3.47Å; N541-K751 PolarHBondContact OD1-NZ 3.26Å; E698-K751 IonicContact OE1-NZ 3.83Å; E698-K751 PolarHBondContact OE1-NZ 2.7Å; E698-K751 VanDerWaalsContact OE2-CE 3.25Å; E698-K751 WeakPolarHBondContact OE2-CE 3.3Å; E698-K751 IonicContact OE2-NZ 3.55Å; E698-K751 PolarHBondContact OE2-NZ 2.97Å; F748-K751 PolarHBondContact O-N 3.16Å; F748-K751 VanDerWaalsContact O-N 3.09Å; I749-K751 PolarHBondContact O-N 3.26Å; I749-K751 VanDerWaalsContact O-N 3.14Å; K751-C753 VanDerWaalsContact C-N 3.29Å; K751-C753 PolarHBondContact O-N 2.91Å; K751-I754 PolarHBondContact O-N 3.29Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.21Å; K751-I755 PolarHBondContact O-N 3.1Å
752C84.4Confident81.6Confident19 Ų1944.1 Ų44.113%0.12824%0.24CC..Hα-helixtrans-61.5-40.2172.4-69.20000111.1F748 I749 I754 I755 L756F748-C752 PolarHBondContact O-N 3.18Å; F748-C752 PolarHBondContact O-SG 3.36Å; I749-C752 PolarHBondContact O-N 3.36Å; C752-I754 VanDerWaalsContact C-N 3.34Å; C752-I754 PolarHBondContact O-N 2.84Å; C752-I755 PolarHBondContact O-N 2.86Å; C752-L756 WeakPolarHBondContact O-CB 3.3Å; C752-L756 WeakPolarHBondContact O-CG 3.31Å; C752-L756 PolarHBondContact O-N 2.03Å
753C81.9Confident80.4Confident56 Ų5646.5 Ų46.538%0.37825%0.254SS..Hα-helixtrans-59.9-41.4174.3-70.60000112.3I749 K751 L757 K758I749-C753 PolarHBondContact O-N 3.5Å; I749-C753 PolarHBondContact O-SG 3.09Å; K751-C753 VanDerWaalsContact C-N 3.29Å; K751-C753 PolarHBondContact O-N 2.91Å; C753-L757 WeakPolarHBondContact O-CA 3.07Å; C753-L757 VanDerWaalsContact O-CB 3.27Å; C753-L757 WeakPolarHBondContact O-CB 3.4Å; C753-L757 PolarHBondContact O-N 3.13Å; C753-K758 PolarHBondContact O-N 2.94Å
754I79Confident78.7Confident26 Ų2649.8 Ų49.813%0.13328%0.277CS..Hα-helixtrans-68.9-44.4177-67165.7000111.3V537 F696 P750 K751 C752 K758 K761V537-I754 HydrophobicContact CG2-CG2 4.18Å; F696-I754 HydrophobicContact CD1-CD1 3.68Å; F696-I754 HydrophobicContact CE1-CD1 4.12Å; P750-I754 WeakPolarHBondContact O-CG1 3.37Å; P750-I754 PolarHBondContact O-N 3.4Å; K751-I754 PolarHBondContact O-N 3.29Å; C752-I754 VanDerWaalsContact C-N 3.34Å; C752-I754 PolarHBondContact O-N 2.84Å; I754-K758 CarbonylContact O-C 3.57Å; I754-K758 VanDerWaalsContact O-C 3.27Å; I754-K758 PolarHBondContact O-N 3.38Å; I754-K758 VanDerWaalsContact O-O 3.13Å; I754-K761 HydrophobicContact CG2-CB 4.2Å
755I82.1Confident77Confident9 Ų953.2 Ų53.25%0.04630%0.301CS..Hα-helixtrans-66.5-39-177.6-67.3165.9000111.9V528 F529 H532 V537 V538 K751 C752V528-I755 HydrophobicContact CG1-CG2 4.17Å; F529-I755 HydrophobicContact CE2-CD1 4.2Å; F529-I755 HydrophobicContact CZ-CD1 4.39Å; H532-I755 HydrophobicContact CB-CG2 4.15Å; V537-I755 HydrophobicContact CB-CG1 4.47Å; V537-I755 HydrophobicContact CG1-CD1 4.27Å; V537-I755 HydrophobicContact CG1-CG1 4.19Å; V538-I755 HydrophobicContact CG2-CD1 3.8Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.21Å; K751-I755 PolarHBondContact O-N 3.1Å; C752-I755 PolarHBondContact O-N 2.86Å
756L81.1Confident75.7Confident102 Ų10256.6 Ų56.653%0.53431%0.308SS..Hα-helixtrans-97.4-36.1-172.6-63.3173.6000114.1V528 C752V528-L756 HydrophobicContact CG1-CD2 4.38Å; C752-L756 WeakPolarHBondContact O-CB 3.3Å; C752-L756 WeakPolarHBondContact O-CG 3.31Å; C752-L756 PolarHBondContact O-N 2.03Å
757L80Confident74.3Confident134 Ų13457.9 Ų57.970%0.70231%0.312SS*.Hα-helixtrans-108.2-15.9-171.3-57.3171.7000114C753C753-L757 WeakPolarHBondContact O-CA 3.07Å; C753-L757 VanDerWaalsContact O-CB 3.27Å; C753-L757 WeakPolarHBondContact O-CB 3.4Å; C753-L757 PolarHBondContact O-N 3.13Å
758K74.9Confident72.7Confident103 Ų10365.9 Ų65.945%0.44834%0.342SS..  trans-134.561.3-177-64.7-166.8179.2-175.30112.9C753 I754 E760 K761C753-K758 PolarHBondContact O-N 2.94Å; I754-K758 CarbonylContact O-C 3.57Å; I754-K758 VanDerWaalsContact O-C 3.27Å; I754-K758 PolarHBondContact O-N 3.38Å; I754-K758 VanDerWaalsContact O-O 3.13Å; K758-E760 VanDerWaalsContact C-OE2 3.27Å; K758-E760 WeakPolarHBondContact CA-OE1 3.48Å; K758-E760 WeakPolarHBondContact CA-OE2 3.42Å; K758-E760 VanDerWaalsContact CB-OE1 3.25Å; K758-E760 WeakPolarHBondContact CB-OE1 3.44Å; K758-E760 PolarHBondContact O-N 3.31Å; K758-E760 VanDerWaalsContact O-N 3.12Å; K758-K761 PolarHBondContact O-N 3.44Å; K758-K761 VanDerWaalsContact O-N 3.08Å
759P71.2Confident70.9Confident80 Ų8072.8 Ų72.852%0.51937%0.374SS..G310 helixtrans-58.9-24.5-176.724.8-33.8000113.7K761 N762P759-K761 VanDerWaalsContact C-N 3.25Å; P759-K761 PolarHBondContact O-N 3.41Å; P759-N762 WeakPolarHBondContact O-CB 3.3Å; P759-N762 PolarHBondContact O-N 2.71Å
760E66.6Low69.1Low110 Ų11070.2 Ų70.251%0.51437%0.373SS..G310 helixtrans-60.7-30.3175.764.9-7416900113.5K758 N762 T763K758-E760 VanDerWaalsContact C-OE2 3.27Å; K758-E760 WeakPolarHBondContact CA-OE1 3.48Å; K758-E760 WeakPolarHBondContact CA-OE2 3.42Å; K758-E760 VanDerWaalsContact CB-OE1 3.25Å; K758-E760 WeakPolarHBondContact CB-OE1 3.44Å; K758-E760 PolarHBondContact O-N 3.31Å; K758-E760 VanDerWaalsContact O-N 3.12Å; E760-N762 VanDerWaalsContact C-N 3.3Å; E760-T763 PolarHBondContact O-OG1 2.72Å
761K62.7Low67.2Low69 Ų6975.6 Ų75.630%0.340%0.395SS..G310 helixtrans-86.11175.6-62.3-168.5177.6-165.10113.5I754 K758 P759 W766I754-K761 HydrophobicContact CG2-CB 4.2Å; K758-K761 PolarHBondContact O-N 3.44Å; K758-K761 VanDerWaalsContact O-N 3.08Å; P759-K761 VanDerWaalsContact C-N 3.25Å; P759-K761 PolarHBondContact O-N 3.41Å; K761-W766 HydrophobicContact CB-CD2 4.37Å; K761-W766 HydrophobicContact CB-CE3 4.21Å; K761-W766 HydrophobicContact CB-CZ3 4.44Å; K761-W766 HydrophobicContact CD-CH2 3.88Å; K761-W766 HydrophobicContact CD-CZ2 3.97Å; K761-W766 HydrophobicContact CD-CZ3 4.24Å; K761-W766 HydrophobicContact CG-CD2 4.23Å; K761-W766 HydrophobicContact CG-CE3 4.37Å; K761-W766 HydrophobicContact CG-CH2 4.3Å; K761-W766 HydrophobicContact CG-CZ2 4.12Å; K761-W766 HydrophobicContact CG-CZ3 4.41Å
762N65Low64.9Low25 Ų2583.2 Ų83.213%0.13443%0.43CS..SBendtrans-103.133.3-177.7-161.613.8000112.5T535 P536 V537 P759 E760T535-N762 WeakPolarHBondContact CB-OD1 3.38Å; T535-N762 WeakPolarHBondContact CG2-ND2 3.2Å; P536-N762 WeakPolarHBondContact CD-O 3.45Å; P536-N762 WeakPolarHBondContact CD-OD1 3.22Å; P536-N762 WeakPolarHBondContact CG-O 3.38Å; V537-N762 VanDerWaalsContact CG2-OD1 3.29Å; V537-N762 WeakPolarHBondContact CG2-OD1 3.4Å; P759-N762 WeakPolarHBondContact O-CB 3.3Å; P759-N762 PolarHBondContact O-N 2.71Å; E760-N762 VanDerWaalsContact C-N 3.3Å
763T66.4Low62.4Low59 Ų5992 Ų9236%0.36248%0.482SS..SBendtrans-119.2149.7-178.655.60000111.9E760 S765 W766E760-T763 PolarHBondContact O-OG1 2.72Å; T763-S765 PolarHBondContact O-N 3Å; T763-S765 PolarHBondContact OG1-OG 3.16Å; T763-W766 PolarHBondContact O-N 2.81Å
764S57.6Low61.5Low70 Ų7093.8 Ų93.849%0.4949%0.488SS..THydrogen-bonded Turntrans-69.6-15.7-177.374.40000114.5R768S764-R768 PolarHBondContact O-NE 3.35Å
765S57.1Low60.6Low77 Ų7797.4 Ų97.454%0.53851%0.506SS..THydrogen-bonded Turntrans-76.9-41.7175.546.70000111.8T763 R768T763-S765 PolarHBondContact O-N 3Å; T763-S765 PolarHBondContact OG1-OG 3.16Å; S765-R768 PolarHBondContact O-N 2.74Å
766W60.5Low59.4Low90 Ų90102.3 Ų102.334%0.34153%0.532SS..Hα-helixtrans-68.1-36.5179.9-155.183.2000112.4V695 F696 K761 T763 R768 Q769V695-W766 HydrophobicContact CG1-CE3 4.33Å; V695-W766 HydrophobicContact CG1-CZ3 3.86Å; F696-W766 HydrophobicContact CE1-CZ3 4.34Å; K761-W766 HydrophobicContact CB-CD2 4.37Å; K761-W766 HydrophobicContact CB-CE3 4.21Å; K761-W766 HydrophobicContact CB-CZ3 4.44Å; K761-W766 HydrophobicContact CD-CH2 3.88Å; K761-W766 HydrophobicContact CD-CZ2 3.97Å; K761-W766 HydrophobicContact CD-CZ3 4.24Å; K761-W766 HydrophobicContact CG-CD2 4.23Å; K761-W766 HydrophobicContact CG-CE3 4.37Å; K761-W766 HydrophobicContact CG-CH2 4.3Å; K761-W766 HydrophobicContact CG-CZ2 4.12Å; K761-W766 HydrophobicContact CG-CZ3 4.41Å; T763-W766 PolarHBondContact O-N 2.81Å; W766-R768 VanDerWaalsContact C-N 3.29Å; W766-R768 PolarHBondContact O-N 2.94Å; W766-Q769 PolarHBondContact O-N 3.31Å
767L58.3Low58.1Low35 Ų35102.3 Ų102.318%0.18353%0.532CS..Hα-helixtrans-64.6-28.1175.1-81159.2000114P536 V695 F696P536-L767 HydrophobicContact CB-CD1 3.48Å; P536-L767 VanDerWaalsContact CB-CD1 3.48Å; P536-L767 HydrophobicContact CG-CD1 3.94Å; V695-L767 HydrophobicContact CG1-CD2 4.22Å; F696-L767 HydrophobicContact CE2-CD2 3.53Å; F696-L767 HydrophobicContact CZ-CD2 3.56Å; F696-L767 HydrophobicContact CZ-CG 4.4Å
768R55Low56.7Low175 Ų175100.3 Ų100.366%0.6652%0.521SS*.Hα-helixtrans-82.5-23.8-179.7-83.5-175-93.4-177.9-7.6113.5S764 S765 W766 G770 H771S764-R768 PolarHBondContact O-NE 3.35Å; S765-R768 PolarHBondContact O-N 2.74Å; W766-R768 VanDerWaalsContact C-N 3.29Å; W766-R768 PolarHBondContact O-N 2.94Å; R768-G770 VanDerWaalsContact C-N 3.26Å; R768-G770 PolarHBondContact O-N 3Å; R768-H771 PolarHBondContact O-N 3.3Å
769Q52.4Low55.5Low145 Ų145100.1 Ų100.168%0.67853%0.526SS*.Hα-helixtrans-67.1-23.4176.9-89.6176.4-31.100113.6W766W766-Q769 PolarHBondContact O-N 3.31Å
770G47.3Very low54.4Low45 Ų45101.6 Ų101.646%0.46453%0.526SS..THydrogen-bonded Turntrans-80.1-8.6177.800000115.9R768R768-G770 VanDerWaalsContact C-N 3.26Å; R768-G770 PolarHBondContact O-N 3Å
771H43.3Very low53.4Low146 Ų146100.9 Ų100.968%0.67653%0.527SS*.THydrogen-bonded Turntrans-94-1.6178.9-88.6-26.5000114.2R768R768-H771 PolarHBondContact O-N 3.3Å
772H36.5Very low52.7Low173 Ų173103.6 Ų103.680%0.80155%0.546SS*.  trans-120.458.2175.6-78.6-65.1000111.4
773V32.5Very low51.5Low203 Ų203110.7 Ų110.7100%1.2358%0.584SS**  trans-142.60153.9-177.70000108.2

Retrieved 773 of 773 residues in 219.7 ms (Link to these results)

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