A0A087XUL7_POEFO Loading...

Thiol methyltransferase 1A

AlphaFold DB , UniProt , Accession A0A087XUL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 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
1M62.8Low87.7Confident119 Ų11995.6 Ų95.659%0.58648%0.48SS*.  0153.40-81143.252.500110.5M6 W183 F186M1-M6 HydrophobicContact CB-CG 4.29Å; M1-M6 HydrophobicContact CB-SD 4.15Å; M1-M6 HydrophobicContact CE-CG 3.6Å; M1-M6 HydrophobicContact CE-SD 3.94Å; M1-W183 HydrophobicContact CE-CE3 4.47Å; M1-W183 HydrophobicContact CE-CZ3 3.94Å; M1-W183 HydrophobicContact SD-CE3 3.69Å; M1-W183 HydrophobicContact SD-CZ3 3.47Å; M1-W183 WeakPolarHBondContact SD-CZ3 3.47Å; M1-F186 HydrophobicContact CE-CB 3.67Å; M1-F186 HydrophobicContact CE-CD1 3.83Å; M1-F186 HydrophobicContact CE-CD2 2.91Å; M1-F186 HydrophobicContact CE-CE1 4.14Å; M1-F186 HydrophobicContact CE-CE2 3.22Å; M1-F186 HydrophobicContact CE-CG 3.17Å; M1-F186 HydrophobicContact CE-CZ 3.84Å; M1-F186 HydrophobicContact SD-CB 4.16Å; M1-F186 HydrophobicContact SD-CD2 4.37Å; M1-F186 HydrophobicContact SD-CG 4.14Å
2Q77.8Confident88.3Confident155 Ų15595.8 Ų95.872%0.72448%0.483SS*.  trans-64.8126.3178.2-76-176.6-31.700110.9C4 F5 M6Q2-C4 PolarHBondContact O-N 3.2Å; Q2-C4 VanDerWaalsContact O-N 3.13Å; Q2-F5 PolarHBondContact O-N 3.04Å; Q2-M6 PolarHBondContact O-N 3.27Å
3P81.6Confident88.7Confident92 Ų9289.4 Ų89.460%0.59745%0.452SS*.Hα-helixtrans-55-32.5-177.5-2935.2000114.8K7P3-K7 WeakPolarHBondContact O-CG 3.17Å; P3-K7 PolarHBondContact O-N 2.83Å
4C87.5Confident89.1Confident105 Ų10590.5 Ų90.571%0.70945%0.453SS*.Hα-helixtrans-65-40.1177.7-68.70000112.9Q2 K7 F8Q2-C4 PolarHBondContact O-N 3.2Å; Q2-C4 VanDerWaalsContact O-N 3.13Å; C4-K7 PolarHBondContact O-N 3.32Å; C4-F8 PolarHBondContact O-N 3.21Å
5F91.3Very high89.3Confident108 Ų10888.1 Ų88.147%0.47445%0.453SS..Hα-helixtrans-65.3-43.3178.8179-106.4000111.4Q2 K7 F8 C9 F186Q2-F5 PolarHBondContact O-N 3.04Å; F5-K7 PolarHBondContact O-N 3.29Å; F5-F8 WeakPolarHBondContact O-CB 3.46Å; F5-F8 PolarHBondContact O-N 3.23Å; F5-C9 VanDerWaalsContact CZ-SG 3.6Å; F5-C9 PolarHBondContact O-N 3.11Å; F5-C9 PolarHBondContact O-SG 3.14Å; F5-C9 VanDerWaalsContact O-SG 3.38Å; F5-F186 HydrophobicContact CE1-CZ 4.26Å
6M91.8Very high89.5Confident27 Ų2791.3 Ų91.313%0.13346%0.463CS..Hα-helixtrans-61.9-43.3177.9-64.6-178.249.500112.5M1 Q2 F8 C9 R10 F186 Y189M1-M6 HydrophobicContact CB-CG 4.29Å; M1-M6 HydrophobicContact CB-SD 4.15Å; M1-M6 HydrophobicContact CE-CG 3.6Å; M1-M6 HydrophobicContact CE-SD 3.94Å; Q2-M6 PolarHBondContact O-N 3.27Å; M6-F8 VanDerWaalsContact C-N 3.33Å; M6-F8 PolarHBondContact O-N 3.45Å; M6-C9 PolarHBondContact O-N 3.19Å; M6-R10 PolarHBondContact O-N 2.85Å; M6-F186 HydrophobicContact CB-CD2 4.35Å; M6-F186 HydrophobicContact CB-CE2 4.35Å; M6-F186 HydrophobicContact CE-CD2 4.08Å; M6-F186 HydrophobicContact CG-CD2 3.66Å; M6-F186 HydrophobicContact CG-CE2 3.85Å; M6-F186 HydrophobicContact SD-CD2 4.2Å; M6-Y189 HydrophobicContact CB-CD1 4.46Å; M6-Y189 HydrophobicContact CE-CD1 4.1Å; M6-Y189 HydrophobicContact CE-CG 4.29Å
7K92.1Very high89.6Confident133 Ų13385.9 Ų85.958%0.57844%0.436SS*.Hα-helixtrans-62.1-41.1175.9-72.4178.7179.9-175.50111.8P3 C4 F5 R10 L11P3-K7 WeakPolarHBondContact O-CG 3.17Å; P3-K7 PolarHBondContact O-N 2.83Å; C4-K7 PolarHBondContact O-N 3.32Å; F5-K7 PolarHBondContact O-N 3.29Å; K7-R10 PolarHBondContact O-N 2.68Å; K7-L11 WeakPolarHBondContact O-CB 3.3Å; K7-L11 PolarHBondContact O-N 2.93Å
8F94.8Very high89.6Confident116 Ų11683.3 Ų83.351%0.50943%0.427SS..Hα-helixtrans-62.3-47.9175.5178.5-104000112C4 F5 M6 R10 L11 L12C4-F8 PolarHBondContact O-N 3.21Å; F5-F8 WeakPolarHBondContact O-CB 3.46Å; F5-F8 PolarHBondContact O-N 3.23Å; M6-F8 VanDerWaalsContact C-N 3.33Å; M6-F8 PolarHBondContact O-N 3.45Å; F8-R10 VanDerWaalsContact C-N 3.35Å; F8-R10 PolarHBondContact O-N 2.95Å; F8-L11 WeakPolarHBondContact O-CB 3.44Å; F8-L11 PolarHBondContact O-N 2.93Å; F8-L12 HydrophobicContact CD1-CD1 4.11Å; F8-L12 HydrophobicContact CE1-CD1 3.53Å; F8-L12 HydrophobicContact CE1-CG 4.21Å; F8-L12 HydrophobicContact CZ-CD1 3.84Å; F8-L12 HydrophobicContact CZ-CD2 4.26Å; F8-L12 HydrophobicContact CZ-CG 4.18Å; F8-L12 PolarHBondContact O-N 3.13Å
9C95.3Very high89.5Confident23 Ų2382.3 Ų82.316%0.15543%0.426CS..Hα-helixtrans-59.9-42.9175.8-66.40000112.5F5 M6 L11 L12 C13 F186 V190F5-C9 VanDerWaalsContact CZ-SG 3.6Å; F5-C9 PolarHBondContact O-N 3.11Å; F5-C9 PolarHBondContact O-SG 3.14Å; F5-C9 VanDerWaalsContact O-SG 3.38Å; M6-C9 PolarHBondContact O-N 3.19Å; C9-L11 VanDerWaalsContact C-N 3.33Å; C9-L11 PolarHBondContact O-N 3.39Å; C9-L12 PolarHBondContact O-N 2.83Å; C9-C13 PolarHBondContact O-N 2.92Å; C9-F186 HydrophobicContact CB-CE2 4.42Å; C9-F186 HydrophobicContact CB-CZ 4.42Å; C9-V190 HydrophobicContact CB-CB 4.49Å; C9-V190 HydrophobicContact CB-CG1 3.87Å; C9-V190 HydrophobicContact CB-CG2 3.71Å
10R95.1Very high89.3Confident64 Ų6483 Ų8324%0.24243%0.425CS..Hα-helixtrans-62-40.9176-176.2175.9177.8137.86.8111.5M6 K7 F8 L12 C13 F14 Y189 E192 P193M6-R10 PolarHBondContact O-N 2.85Å; K7-R10 PolarHBondContact O-N 2.68Å; F8-R10 VanDerWaalsContact C-N 3.35Å; F8-R10 PolarHBondContact O-N 2.95Å; R10-L12 VanDerWaalsContact C-N 3.34Å; R10-L12 PolarHBondContact O-N 3.05Å; R10-C13 PolarHBondContact O-N 2.88Å; R10-F14 WeakPolarHBondContact O-CB 3.43Å; R10-F14 PolarHBondContact O-N 3.42Å; R10-Y189 HydrophobicContact CB-CD1 4.21Å; R10-Y189 HydrophobicContact CB-CE1 3.9Å; R10-Y189 VanDerWaalsContact CD-CZ 3.49Å; R10-Y189 WeakPolarHBondContact CD-O 3.48Å; R10-Y189 HydrophobicContact CG-CE1 4.23Å; R10-Y189 PolarHBondContact NH1-O 3.08Å; R10-E192 IonicContact CZ-OE1 3.2Å; R10-E192 IonicContact NH1-OE1 2.67Å; R10-E192 PolarHBondContact NH1-OE1 2.92Å; R10-E192 IonicContact NH2-OE1 2.76Å; R10-E192 PolarHBondContact NH2-OE1 2.76Å; R10-P193 HydrophobicContact CG-CG 4.43Å
11L94.6Very high89Confident110 Ų11081.5 Ų81.558%0.57642%0.415SS*.Hα-helixtrans-61.7-42.5176.6-17964.8000111.5K7 F8 C9 F14 A15K7-L11 WeakPolarHBondContact O-CB 3.3Å; K7-L11 PolarHBondContact O-N 2.93Å; F8-L11 WeakPolarHBondContact O-CB 3.44Å; F8-L11 PolarHBondContact O-N 2.93Å; C9-L11 VanDerWaalsContact C-N 3.33Å; C9-L11 PolarHBondContact O-N 3.39Å; L11-F14 PolarHBondContact O-N 2.89Å; L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 3.35Å
12L95.2Very high89.9Confident97 Ų9781.5 Ų81.551%0.50842%0.417SS..Hα-helixtrans-62.5-45175.3-67.7178.9000111.9F8 C9 R10 A15 F16F8-L12 HydrophobicContact CD1-CD1 4.11Å; F8-L12 HydrophobicContact CE1-CD1 3.53Å; F8-L12 HydrophobicContact CE1-CG 4.21Å; F8-L12 HydrophobicContact CZ-CD1 3.84Å; F8-L12 HydrophobicContact CZ-CD2 4.26Å; F8-L12 HydrophobicContact CZ-CG 4.18Å; F8-L12 PolarHBondContact O-N 3.13Å; C9-L12 PolarHBondContact O-N 2.83Å; R10-L12 VanDerWaalsContact C-N 3.34Å; R10-L12 PolarHBondContact O-N 3.05Å; L12-A15 PolarHBondContact O-N 3.16Å; L12-F16 PolarHBondContact O-N 2.69Å
13C93.8Very high90Very high13 Ų1377.5 Ų77.59%0.08840%0.4CS..Hα-helixtrans-62-44.4176.2-176.30000111.4C9 R10 F16 S17 V190C9-C13 PolarHBondContact O-N 2.92Å; R10-C13 PolarHBondContact O-N 2.88Å; C13-F16 WeakPolarHBondContact O-CB 3.36Å; C13-F16 PolarHBondContact O-N 3.36Å; C13-S17 PolarHBondContact O-N 3.21Å; C13-S17 PolarHBondContact O-OG 3.28Å; C13-V190 HydrophobicContact CB-CG1 4.38Å; C13-V190 VanDerWaalsContact CB-O 3.26Å; C13-V190 WeakPolarHBondContact CB-O 3.45Å; C13-V190 PolarHBondContact SG-O 2.89Å; C13-V190 VanDerWaalsContact SG-O 3.38Å
14F93.1Very high89.5Confident105 Ų10575 Ų7546%0.46138%0.381SS..Hα-helixtrans-61.7-45.7176-179.6-98.5000112.2R10 L11 F16 S17 S18 P193R10-F14 WeakPolarHBondContact O-CB 3.43Å; R10-F14 PolarHBondContact O-N 3.42Å; L11-F14 PolarHBondContact O-N 2.89Å; F14-F16 VanDerWaalsContact C-N 3.26Å; F14-F16 PolarHBondContact O-N 2.97Å; F14-S17 CarbonylContact O-C 3.59Å; F14-S17 PolarHBondContact O-N 2.73Å; F14-S17 VanDerWaalsContact O-N 3.13Å; F14-S18 WeakPolarHBondContact O-CB 3.3Å; F14-S18 PolarHBondContact O-N 2.84Å; F14-P193 HydrophobicContact CB-CB 4.38Å; F14-P193 HydrophobicContact CB-CG 4.24Å; F14-P193 HydrophobicContact CD2-CB 4.12Å; F14-P193 HydrophobicContact CD2-CG 4.39Å
15A93.3Very high88.7Confident55 Ų5578.3 Ų78.346%0.45538%0.383SS..Hα-helixtrans-57.4-42.6177.200000111L11 L12 S18L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 3.35Å; L12-A15 PolarHBondContact O-N 3.16Å; A15-S18 PolarHBondContact O-OG 2.88Å
16F92.6Very high87.8Confident139 Ų13979.4 Ų79.461%0.6139%0.392SS*.Hα-helixtrans-64.7-41.5174.6179.5-97000113.3L12 C13 F14 P19L12-F16 PolarHBondContact O-N 2.69Å; C13-F16 WeakPolarHBondContact O-CB 3.36Å; C13-F16 PolarHBondContact O-N 3.36Å; F14-F16 VanDerWaalsContact C-N 3.26Å; F14-F16 PolarHBondContact O-N 2.97Å; F16-P19 VanDerWaalsContact O-CD 3.28Å; F16-P19 WeakPolarHBondContact O-CD 3.37Å
17S90.5Very high86.6Confident0 Ų080.6 Ų80.60%041%0.411CS..Hα-helixtrans-78-22.6179.9-61.20000113.7C13 F14 P19 F20 Y21 L194C13-S17 PolarHBondContact O-N 3.21Å; C13-S17 PolarHBondContact O-OG 3.28Å; F14-S17 CarbonylContact O-C 3.59Å; F14-S17 PolarHBondContact O-N 2.73Å; F14-S17 VanDerWaalsContact O-N 3.13Å; S17-P19 VanDerWaalsContact C-CD 3.41Å; S17-F20 WeakPolarHBondContact O-CB 3.16Å; S17-F20 PolarHBondContact O-N 3.43Å; S17-Y21 WeakPolarHBondContact O-CD2 3.44Å; S17-Y21 PolarHBondContact O-N 3.43Å; S17-L194 WeakPolarHBondContact OG-CA 3.41Å; S17-L194 WeakPolarHBondContact OG-CB 3.5Å
18S89.4Confident85.8Confident39 Ų3977.5 Ų77.527%0.27340%0.401SS..Hα-helixtrans-56.4-37.6-172.470.10000115.8F14 A15 F20 Y21 L22F14-S18 WeakPolarHBondContact O-CB 3.3Å; F14-S18 PolarHBondContact O-N 2.84Å; A15-S18 PolarHBondContact O-OG 2.88Å; S18-F20 VanDerWaalsContact C-N 3.25Å; S18-F20 PolarHBondContact O-N 2.82Å; S18-Y21 PolarHBondContact O-N 3.48Å; S18-L22 PolarHBondContact O-N 3.42Å
19P88.6Confident84.9Confident64 Ų6479 Ų7942%0.41640%0.403SS..Hα-helixtrans-61.5-36.5176.6-21.835.5000111.7F16 S17 L22 L23F16-P19 VanDerWaalsContact O-CD 3.28Å; F16-P19 WeakPolarHBondContact O-CD 3.37Å; S17-P19 VanDerWaalsContact C-CD 3.41Å; P19-L22 WeakPolarHBondContact O-CB 3.35Å; P19-L22 PolarHBondContact O-N 3Å; P19-L23 WeakPolarHBondContact O-CB 3.44Å; P19-L23 VanDerWaalsContact O-CG 3.26Å; P19-L23 WeakPolarHBondContact O-CG 3.15Å; P19-L23 PolarHBondContact O-N 3.12Å
20F85.2Confident84.2Confident95 Ų9580 Ų8042%0.41742%0.417SS..Hα-helixtrans-69.1-35.1179.4-61.9-81.1000112.9S17 S18 L23 Q24 L197S17-F20 WeakPolarHBondContact O-CB 3.16Å; S17-F20 PolarHBondContact O-N 3.43Å; S18-F20 VanDerWaalsContact C-N 3.25Å; S18-F20 PolarHBondContact O-N 2.82Å; F20-L23 HydrophobicContact CD1-CD1 4.35Å; F20-L23 WeakPolarHBondContact O-CB 3.47Å; F20-L23 PolarHBondContact O-N 2.95Å; F20-Q24 WeakPolarHBondContact O-CG 3.12Å; F20-Q24 PolarHBondContact O-N 3.43Å; F20-L197 HydrophobicContact CB-CD1 3.81Å; F20-L197 HydrophobicContact CB-CD2 3.37Å; F20-L197 HydrophobicContact CB-CG 4.24Å; F20-L197 HydrophobicContact CD1-CD2 4.38Å; F20-L197 HydrophobicContact CD2-CD2 4.22Å; F20-L197 HydrophobicContact CG-CD2 3.76Å
21Y82.4Confident83.7Confident53 Ų5382.8 Ų82.821%0.20843%0.434CS..Hα-helixtrans-61.6-45.2171.4-78.4-77.4000111.1S17 S18 L23 Q24 F25 P193 C196S17-Y21 WeakPolarHBondContact O-CD2 3.44Å; S17-Y21 PolarHBondContact O-N 3.43Å; S18-Y21 PolarHBondContact O-N 3.48Å; Y21-L23 VanDerWaalsContact C-N 3.33Å; Y21-L23 PolarHBondContact O-N 3.47Å; Y21-Q24 WeakPolarHBondContact O-CB 3.03Å; Y21-Q24 PolarHBondContact O-N 3.26Å; Y21-F25 WeakPolarHBondContact O-CD2 3.12Å; Y21-F25 PolarHBondContact O-N 3.02Å; Y21-P193 PolarHBondContact OH-O 3.42Å; Y21-C196 WeakPolarHBondContact OH-CB 3.42Å
22L82.2Confident83.2Confident119 Ų11979.8 Ų79.862%0.62342%0.416SS*.Hα-helixtrans-62.3-40.4175.3-65.2173.3000112S18 P19 Q24 F25 I26S18-L22 PolarHBondContact O-N 3.42Å; P19-L22 WeakPolarHBondContact O-CB 3.35Å; P19-L22 PolarHBondContact O-N 3Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.81Å; L22-F25 WeakPolarHBondContact O-CB 3.32Å; L22-F25 PolarHBondContact O-N 3.06Å; L22-I26 PolarHBondContact O-N 3.08Å
23L79.3Confident82.8Confident71 Ų7177.3 Ų77.337%0.37240%0.401SS..Hα-helixtrans-59.3-38.1174.9-74.7-179.5000112P19 F20 Y21 F25 I26 L28P19-L23 WeakPolarHBondContact O-CB 3.44Å; P19-L23 VanDerWaalsContact O-CG 3.26Å; P19-L23 WeakPolarHBondContact O-CG 3.15Å; P19-L23 PolarHBondContact O-N 3.12Å; F20-L23 HydrophobicContact CD1-CD1 4.35Å; F20-L23 WeakPolarHBondContact O-CB 3.47Å; F20-L23 PolarHBondContact O-N 2.95Å; Y21-L23 VanDerWaalsContact C-N 3.33Å; Y21-L23 PolarHBondContact O-N 3.47Å; L23-F25 VanDerWaalsContact C-N 3.31Å; L23-F25 PolarHBondContact O-N 2.93Å; L23-I26 HydrophobicContact CD2-CD1 3.63Å; L23-I26 HydrophobicContact CD2-CG1 4.41Å; L23-I26 WeakPolarHBondContact O-CG1 3.41Å; L23-I26 PolarHBondContact O-N 2.97Å; L23-L28 HydrophobicContact CB-CD1 3.66Å; L23-L28 HydrophobicContact CD1-CD1 4.34Å; L23-L28 HydrophobicContact CD2-CD1 3.79Å; L23-L28 HydrophobicContact CG-CD1 4.11Å; L23-L28 VanDerWaalsContact O-CB 3.31Å; L23-L28 WeakPolarHBondContact O-CB 3.47Å; L23-L28 PolarHBondContact O-N 3.32Å
24Q72Confident82.7Confident40 Ų4084.9 Ų84.919%0.18743%0.428CS..Iπ-helixtrans-62.8-36.6173.7-72.9-172.8-8.100112.4F20 Y21 L22 I26 R29 L197F20-Q24 WeakPolarHBondContact O-CG 3.12Å; F20-Q24 PolarHBondContact O-N 3.43Å; Y21-Q24 WeakPolarHBondContact O-CB 3.03Å; Y21-Q24 PolarHBondContact O-N 3.26Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.81Å; Q24-I26 VanDerWaalsContact C-N 3.34Å; Q24-I26 PolarHBondContact O-N 2.71Å; Q24-R29 HydrophobicContact CB-CB 4.14Å; Q24-R29 VanDerWaalsContact O-CB 3.22Å; Q24-R29 WeakPolarHBondContact O-CB 3.34Å; Q24-R29 PolarHBondContact O-N 3.46Å; Q24-L197 HydrophobicContact CG-CD1 4.35Å; Q24-L197 VanDerWaalsContact NE2-CD1 3.26Å
25F69.6Low82.5Confident174 Ų17483.7 Ų83.776%0.76343%0.429SS*.Iπ-helixtrans-70.2-25.7178.8-76.2-74.9000114Y21 L22 L23 G27Y21-F25 WeakPolarHBondContact O-CD2 3.12Å; Y21-F25 PolarHBondContact O-N 3.02Å; L22-F25 WeakPolarHBondContact O-CB 3.32Å; L22-F25 PolarHBondContact O-N 3.06Å; L23-F25 VanDerWaalsContact C-N 3.31Å; L23-F25 PolarHBondContact O-N 2.93Å; F25-G27 VanDerWaalsContact C-N 3.3Å; F25-G27 PolarHBondContact O-N 2.95Å
26I72.3Confident82.3Confident130 Ų13082.6 Ų82.667%0.66741%0.414SS*.Iπ-helixtrans-89.918.1-179.863.4169.5000114.1L22 L23 Q24L22-I26 PolarHBondContact O-N 3.08Å; L23-I26 HydrophobicContact CD2-CD1 3.63Å; L23-I26 HydrophobicContact CD2-CG1 4.41Å; L23-I26 WeakPolarHBondContact O-CG1 3.41Å; L23-I26 PolarHBondContact O-N 2.97Å; Q24-I26 VanDerWaalsContact C-N 3.34Å; Q24-I26 PolarHBondContact O-N 2.71Å
27G66.6Low82.2Confident52 Ų5276 Ų7654%0.53639%0.385SS..Iπ-helixtrans106.8-9.9173.200000115.8F25 R29 G30F25-G27 VanDerWaalsContact C-N 3.3Å; F25-G27 PolarHBondContact O-N 2.95Å; G27-R29 PolarHBondContact O-N 3.45Å; G27-G30 PolarHBondContact O-N 2.88Å
28L75.3Confident82.2Confident69 Ų6981.4 Ų81.436%0.36141%0.409SS..Iπ-helixtrans-70.9-13.8176.3-65.9162.6000112.9L23 G30 M31 Y32L23-L28 HydrophobicContact CB-CD1 3.66Å; L23-L28 HydrophobicContact CD1-CD1 4.34Å; L23-L28 HydrophobicContact CD2-CD1 3.79Å; L23-L28 HydrophobicContact CG-CD1 4.11Å; L23-L28 VanDerWaalsContact O-CB 3.31Å; L23-L28 WeakPolarHBondContact O-CB 3.47Å; L23-L28 PolarHBondContact O-N 3.32Å; L28-G30 VanDerWaalsContact C-N 3.28Å; L28-G30 PolarHBondContact O-N 2.8Å; L28-M31 HydrophobicContact CD2-SD 3.74Å; L28-M31 PolarHBondContact O-N 3.04Å; L28-Y32 WeakPolarHBondContact O-CB 3.26Å; L28-Y32 PolarHBondContact O-N 3.16Å
29R76.8Confident82.2Confident148 Ų14883.9 Ų83.956%0.55842%0.418SS*.Hα-helixtrans-58.4-39.2172.7-173176.3-174.5-169.20.8112.2Q24 G27 Y32 K33Q24-R29 HydrophobicContact CB-CB 4.14Å; Q24-R29 VanDerWaalsContact O-CB 3.22Å; Q24-R29 WeakPolarHBondContact O-CB 3.34Å; Q24-R29 PolarHBondContact O-N 3.46Å; G27-R29 PolarHBondContact O-N 3.45Å; R29-Y32 PolarHBondContact O-N 2.95Å; R29-K33 WeakPolarHBondContact O-CG 3.3Å; R29-K33 PolarHBondContact O-N 2.95Å
30G80.3Confident82.2Confident43 Ų4381.8 Ų81.844%0.44341%0.407SS..Hα-helixtrans-66.1-40.9177.200000112.4G27 L28 K33 R34G27-G30 PolarHBondContact O-N 2.88Å; L28-G30 VanDerWaalsContact C-N 3.28Å; L28-G30 PolarHBondContact O-N 2.8Å; G30-K33 PolarHBondContact O-N 3.36Å; G30-R34 PolarHBondContact O-N 2.89Å
31M83.8Confident82.3Confident122 Ų12279.2 Ų79.260%0.60139%0.394SS*.Hα-helixtrans-65.1-43.6174.1-69.1179.362.200111.6L28 K33 R34 V35L28-M31 HydrophobicContact CD2-SD 3.74Å; L28-M31 PolarHBondContact O-N 3.04Å; M31-K33 VanDerWaalsContact C-N 3.34Å; M31-K33 PolarHBondContact O-N 2.89Å; M31-R34 WeakPolarHBondContact O-CB 3.43Å; M31-R34 PolarHBondContact O-N 2.94Å; M31-R34 VanDerWaalsContact O-N 3.09Å; M31-V35 PolarHBondContact O-N 2.78Å; M31-V35 VanDerWaalsContact O-N 3.13Å
32Y85.1Confident82.5Confident47 Ų4780.6 Ų80.618%0.18441%0.405CS..Hα-helixtrans-58.7-45.1175.7177.1-105.8000111.6L28 R29 R34 V35 F36 L197 L198 D200L28-Y32 WeakPolarHBondContact O-CB 3.26Å; L28-Y32 PolarHBondContact O-N 3.16Å; R29-Y32 PolarHBondContact O-N 2.95Å; Y32-R34 PolarHBondContact O-N 3.05Å; Y32-V35 PolarHBondContact O-N 2.9Å; Y32-V35 VanDerWaalsContact O-N 3.09Å; Y32-F36 HydrophobicContact CE1-CB 4.26Å; Y32-F36 HydrophobicContact CE1-CD2 4.26Å; Y32-F36 HydrophobicContact CE1-CG 4.41Å; Y32-F36 HydrophobicContact CE2-CB 4.44Å; Y32-F36 HydrophobicContact CE2-CD2 4.36Å; Y32-F36 AromaticContact CZ-CD2 3.71Å; Y32-F36 VanDerWaalsContact O-CB 3.26Å; Y32-F36 WeakPolarHBondContact O-CB 3.23Å; Y32-F36 PolarHBondContact O-N 3.22Å; Y32-F36 WeakPolarHBondContact OH-CD2 3.48Å; Y32-L197 PolarHBondContact OH-O 3.32Å; Y32-L197 VanDerWaalsContact OH-O 3.07Å; Y32-L198 PolarHBondContact OH-O 3.13Å; Y32-L198 VanDerWaalsContact OH-O 3.09Å; Y32-D200 HydrophobicContact CE1-CB 4Å; Y32-D200 WeakPolarHBondContact CE1-OD1 3.19Å; Y32-D200 PolarHBondContact OH-N 2.79Å
33K87.6Confident82.7Confident45 Ų4579.6 Ų79.620%0.19640%0.404CS..Hα-helixtrans-62.1-23.6176.2-72.1-69.4-172.8178.10113.7R29 G30 M31 P37 N100 D200R29-K33 WeakPolarHBondContact O-CG 3.3Å; R29-K33 PolarHBondContact O-N 2.95Å; G30-K33 PolarHBondContact O-N 3.36Å; M31-K33 VanDerWaalsContact C-N 3.34Å; M31-K33 PolarHBondContact O-N 2.89Å; K33-P37 WeakPolarHBondContact O-CD 3.48Å; K33-P37 WeakPolarHBondContact O-CG 3.47Å; K33-N100 PolarHBondContact O-ND2 3.26Å; K33-N100 PolarHBondContact O-OD1 3Å; K33-D200 VanDerWaalsContact CE-OD1 3.23Å; K33-D200 WeakPolarHBondContact CE-OD1 3.37Å; K33-D200 IonicContact NZ-OD1 3.51Å; K33-D200 PolarHBondContact NZ-OD1 2.86Å; K33-D200 IonicContact NZ-OD2 2.9Å; K33-D200 PolarHBondContact NZ-OD2 2.96Å
34R90.3Very high83Confident172 Ų17277.6 Ų77.665%0.64940%0.395SS*.Hα-helixtrans-79.5-35.9172.6-72.4175-178.8-174.82.1113.3G30 M31 Y32 H102G30-R34 PolarHBondContact O-N 2.89Å; M31-R34 WeakPolarHBondContact O-CB 3.43Å; M31-R34 PolarHBondContact O-N 2.94Å; M31-R34 VanDerWaalsContact O-N 3.09Å; Y32-R34 PolarHBondContact O-N 3.05Å; R34-H102 VanDerWaalsContact CG-NE2 3.29Å; R34-H102 WeakPolarHBondContact CG-NE2 3.47Å
35V89.4Confident83.6Confident80 Ų8081.2 Ų81.249%0.48541%0.41SS..Hα-helixtrans-83.7-34.8-177.91770000111.7M31 Y32 F38 L39M31-V35 PolarHBondContact O-N 2.78Å; M31-V35 VanDerWaalsContact O-N 3.13Å; Y32-V35 PolarHBondContact O-N 2.9Å; Y32-V35 VanDerWaalsContact O-N 3.09Å; V35-F38 WeakPolarHBondContact O-CB 3.31Å; V35-F38 PolarHBondContact O-N 3.45Å; V35-F38 VanDerWaalsContact O-N 3.13Å; V35-L39 HydrophobicContact CG1-CD1 4.03Å; V35-L39 HydrophobicContact CG1-CG 4.24Å; V35-L39 PolarHBondContact O-N 2.86Å
36F89.4Confident84.4Confident33 Ų3375.8 Ų75.815%0.14539%0.394CS..Hα-helixtrans-54.9-45.7-175.9177.9-99.3000113.7Y32 F38 L39 A40 M103 D200Y32-F36 HydrophobicContact CE1-CB 4.26Å; Y32-F36 HydrophobicContact CE1-CD2 4.26Å; Y32-F36 HydrophobicContact CE1-CG 4.41Å; Y32-F36 HydrophobicContact CE2-CB 4.44Å; Y32-F36 HydrophobicContact CE2-CD2 4.36Å; Y32-F36 AromaticContact CZ-CD2 3.71Å; Y32-F36 VanDerWaalsContact O-CB 3.26Å; Y32-F36 WeakPolarHBondContact O-CB 3.23Å; Y32-F36 PolarHBondContact O-N 3.22Å; Y32-F36 WeakPolarHBondContact OH-CD2 3.48Å; F36-F38 VanDerWaalsContact C-N 3.27Å; F36-F38 PolarHBondContact O-N 2.85Å; F36-L39 PolarHBondContact O-N 3.46Å; F36-L39 VanDerWaalsContact O-N 3.07Å; F36-A40 HydrophobicContact CD1-CB 4.36Å; F36-A40 HydrophobicContact CE1-CB 4Å; F36-A40 HydrophobicContact CZ-CB 4.1Å; F36-A40 VanDerWaalsContact O-CB 3.32Å; F36-A40 WeakPolarHBondContact O-CB 3.48Å; F36-A40 PolarHBondContact O-N 3.01Å; F36-M103 HydrophobicContact CD1-CE 4.26Å; F36-M103 HydrophobicContact CE1-CE 4.05Å; F36-D200 HydrophobicContact CD1-CB 4.12Å; F36-D200 HydrophobicContact CD2-CB 3.93Å; F36-D200 HydrophobicContact CE1-CB 3.76Å; F36-D200 HydrophobicContact CE2-CB 3.55Å; F36-D200 HydrophobicContact CG-CB 4.19Å; F36-D200 HydrophobicContact CZ-CB 3.45Å; F36-D200 VanDerWaalsContact CZ-CB 3.45Å
37P90.6Very high85.3Confident1 Ų170.6 Ų70.61%0.00637%0.366CS..Hα-helixtrans-53.6-41.2176.4-31.538.3000114K33 Y41 N100 H102 M103 Y106K33-P37 WeakPolarHBondContact O-CD 3.48Å; K33-P37 WeakPolarHBondContact O-CG 3.47Å; P37-Y41 WeakPolarHBondContact O-CB 3.34Å; P37-Y41 PolarHBondContact O-N 3.23Å; P37-N100 WeakPolarHBondContact CG-ND2 3.39Å; P37-H102 HydrophobicContact CG-CB 3.84Å; P37-M103 HydrophobicContact CB-CG 4.49Å; P37-M103 HydrophobicContact CB-SD 3.61Å; P37-M103 HydrophobicContact CG-CG 4.3Å; P37-M103 HydrophobicContact CG-SD 3.9Å; P37-Y106 HydrophobicContact CB-CD2 3.87Å; P37-Y106 HydrophobicContact CB-CE2 3.52Å
38F90.3Very high86.3Confident112 Ų11269.1 Ų69.149%0.49135%0.346SS..Hα-helixtrans-63-46.4176.9175.1-100.7000111.5V35 F36 N42 Y106V35-F38 WeakPolarHBondContact O-CB 3.31Å; V35-F38 PolarHBondContact O-N 3.45Å; V35-F38 VanDerWaalsContact O-N 3.13Å; F36-F38 VanDerWaalsContact C-N 3.27Å; F36-F38 PolarHBondContact O-N 2.85Å; F38-N42 WeakPolarHBondContact CZ-ND2 3.47Å; F38-N42 PolarHBondContact O-N 3.22Å; F38-N42 PolarHBondContact O-ND2 3.18Å; F38-Y106 WeakPolarHBondContact CA-OH 3.04Å; F38-Y106 WeakPolarHBondContact CB-OH 3.45Å
39L89.6Confident87Confident91 Ų9171.6 Ų71.648%0.47636%0.359SS..Hα-helixtrans-65-48178.5-64.2175.2000111.1V35 F36 Y41 N42 V43V35-L39 HydrophobicContact CG1-CD1 4.03Å; V35-L39 HydrophobicContact CG1-CG 4.24Å; V35-L39 PolarHBondContact O-N 2.86Å; F36-L39 PolarHBondContact O-N 3.46Å; F36-L39 VanDerWaalsContact O-N 3.07Å; L39-Y41 PolarHBondContact O-N 3.49Å; L39-N42 PolarHBondContact O-N 2.9Å; L39-V43 WeakPolarHBondContact O-CG2 3.26Å; L39-V43 PolarHBondContact O-N 2.92Å; L39-V43 VanDerWaalsContact O-N 3.1Å
40A87.6Confident87.8Confident21 Ų2168.3 Ų68.317%0.17435%0.349CS..Hα-helixtrans-58.1-47.3178.700000111F36 N42 V43 T44 M103F36-A40 HydrophobicContact CD1-CB 4.36Å; F36-A40 HydrophobicContact CE1-CB 4Å; F36-A40 HydrophobicContact CZ-CB 4.1Å; F36-A40 VanDerWaalsContact O-CB 3.32Å; F36-A40 WeakPolarHBondContact O-CB 3.48Å; F36-A40 PolarHBondContact O-N 3.01Å; A40-N42 VanDerWaalsContact C-N 3.33Å; A40-N42 PolarHBondContact O-N 2.97Å; A40-V43 PolarHBondContact O-N 2.88Å; A40-V43 VanDerWaalsContact O-N 3.12Å; A40-T44 WeakPolarHBondContact O-CB 3.2Å; A40-T44 PolarHBondContact O-N 3.09Å; A40-T44 PolarHBondContact O-OG1 3.15Å; A40-M103 HydrophobicContact CB-CE 4.33Å
41Y87.6Confident88.4Confident40 Ų4066.2 Ų66.216%0.15733%0.328CS..Hα-helixtrans-56.1-44.2178.3-178.6-118.6000113P37 L39 T44 F45 S81 Y106 M109P37-Y41 WeakPolarHBondContact O-CB 3.34Å; P37-Y41 PolarHBondContact O-N 3.23Å; L39-Y41 PolarHBondContact O-N 3.49Å; Y41-T44 WeakPolarHBondContact O-CB 3.46Å; Y41-T44 PolarHBondContact O-N 3.08Å; Y41-F45 HydrophobicContact CD1-CE2 4.07Å; Y41-F45 HydrophobicContact CD2-CE2 4.21Å; Y41-F45 AromaticContact CE1-CE2 3.64Å; Y41-F45 HydrophobicContact CE1-CE2 3.64Å; Y41-F45 HydrophobicContact CE1-CZ 4.12Å; Y41-F45 AromaticContact CE2-CE2 3.81Å; Y41-F45 HydrophobicContact CE2-CE2 3.81Å; Y41-F45 AromaticContact CE2-CZ 3.86Å; Y41-F45 HydrophobicContact CE2-CZ 3.86Å; Y41-F45 HydrophobicContact CG-CE2 4.36Å; Y41-F45 AromaticContact CZ-CE2 3.51Å; Y41-F45 AromaticContact CZ-CZ 3.56Å; Y41-F45 VanDerWaalsContact O-CD2 3.28Å; Y41-F45 WeakPolarHBondContact O-CD2 3.26Å; Y41-F45 WeakPolarHBondContact OH-CZ 3.17Å; Y41-S81 VanDerWaalsContact CD2-CB 3.42Å; Y41-Y106 AromaticContact CD1-CD1 3.46Å; Y41-Y106 HydrophobicContact CD1-CD1 3.46Å; Y41-Y106 VanDerWaalsContact CD1-CD1 3.46Å; Y41-Y106 AromaticContact CD1-CE1 3.72Å; Y41-Y106 HydrophobicContact CD1-CE1 3.72Å; Y41-Y106 AromaticContact CD2-CD1 3.78Å; Y41-Y106 HydrophobicContact CD2-CD1 3.78Å; Y41-Y106 HydrophobicContact CD2-CG 4.24Å; Y41-Y106 AromaticContact CE1-CD1 3.94Å; Y41-Y106 HydrophobicContact CE1-CD1 3.94Å; Y41-Y106 HydrophobicContact CE1-CE1 4.38Å; Y41-Y106 HydrophobicContact CE2-CD1 4.22Å; Y41-Y106 AromaticContact CG-CD1 3.34Å; Y41-Y106 HydrophobicContact CG-CD1 3.34Å; Y41-Y106 AromaticContact CG-CE1 3.89Å; Y41-Y106 HydrophobicContact CG-CE1 3.89Å; Y41-Y106 HydrophobicContact CG-CG 4.11Å; Y41-M109 HydrophobicContact CE1-CE 4.45Å
42N86.6Confident88.9Confident82 Ų8262.9 Ų62.944%0.43931%0.311SS..Hα-helixtrans-67.1-38.3178-75.3-68.6000112.3F38 L39 A40F38-N42 WeakPolarHBondContact CZ-ND2 3.47Å; F38-N42 PolarHBondContact O-N 3.22Å; F38-N42 PolarHBondContact O-ND2 3.18Å; L39-N42 PolarHBondContact O-N 2.9Å; A40-N42 VanDerWaalsContact C-N 3.33Å; A40-N42 PolarHBondContact O-N 2.97Å
43V86.4Confident89.3Confident98 Ų9868.2 Ų68.259%0.59434%0.335SS*.Hα-helixtrans-69.9-34.5176.5174.50000111.4L39 A40 F45 S46 Y47L39-V43 WeakPolarHBondContact O-CG2 3.26Å; L39-V43 PolarHBondContact O-N 2.92Å; L39-V43 VanDerWaalsContact O-N 3.1Å; A40-V43 PolarHBondContact O-N 2.88Å; A40-V43 VanDerWaalsContact O-N 3.12Å; V43-F45 VanDerWaalsContact C-N 3.27Å; V43-F45 PolarHBondContact O-N 3.24Å; V43-S46 PolarHBondContact O-N 3.18Å; V43-S46 VanDerWaalsContact O-N 3.14Å; V43-Y47 PolarHBondContact O-N 3.41Å
44T85.8Confident89.7Confident29 Ų2967.7 Ų67.718%0.17833%0.334CS..Hα-helixtrans-54.8-40179.7-68.70000112.2A40 Y41 Y47 N48 A83A40-T44 WeakPolarHBondContact O-CB 3.2Å; A40-T44 PolarHBondContact O-N 3.09Å; A40-T44 PolarHBondContact O-OG1 3.15Å; Y41-T44 WeakPolarHBondContact O-CB 3.46Å; Y41-T44 PolarHBondContact O-N 3.08Å; T44-Y47 PolarHBondContact O-N 3.08Å; T44-N48 WeakPolarHBondContact O-CB 3.24Å; T44-N48 PolarHBondContact O-N 3.45Å; T44-A83 HydrophobicContact CG2-CB 3.5Å; T44-A83 VanDerWaalsContact CG2-CB 3.5Å
45F83.8Confident90Very high117 Ų11759.6 Ų59.651%0.51330%0.304SS..Hα-helixtrans-61.3-47.9177.9-71.7-72.4000112.5Y41 V43 N48 D49Y41-F45 HydrophobicContact CD1-CE2 4.07Å; Y41-F45 HydrophobicContact CD2-CE2 4.21Å; Y41-F45 AromaticContact CE1-CE2 3.64Å; Y41-F45 HydrophobicContact CE1-CE2 3.64Å; Y41-F45 HydrophobicContact CE1-CZ 4.12Å; Y41-F45 AromaticContact CE2-CE2 3.81Å; Y41-F45 HydrophobicContact CE2-CE2 3.81Å; Y41-F45 AromaticContact CE2-CZ 3.86Å; Y41-F45 HydrophobicContact CE2-CZ 3.86Å; Y41-F45 HydrophobicContact CG-CE2 4.36Å; Y41-F45 AromaticContact CZ-CE2 3.51Å; Y41-F45 AromaticContact CZ-CZ 3.56Å; Y41-F45 VanDerWaalsContact O-CD2 3.28Å; Y41-F45 WeakPolarHBondContact O-CD2 3.26Å; Y41-F45 WeakPolarHBondContact OH-CZ 3.17Å; V43-F45 VanDerWaalsContact C-N 3.27Å; V43-F45 PolarHBondContact O-N 3.24Å; F45-N48 PolarHBondContact O-N 3.03Å; F45-D49 WeakPolarHBondContact O-CB 3.47Å; F45-D49 PolarHBondContact O-N 3.38Å
46S87.9Confident90.3Very high59 Ų5962.7 Ų62.741%0.41331%0.306SS..Hα-helixtrans-64.4-42.9178-174.30000111.4V43 D49 K50V43-S46 PolarHBondContact O-N 3.18Å; V43-S46 VanDerWaalsContact O-N 3.14Å; S46-D49 PolarHBondContact O-N 2.9Å; S46-K50 WeakPolarHBondContact O-CD 3.13Å; S46-K50 VanDerWaalsContact O-CG 3.23Å; S46-K50 WeakPolarHBondContact O-CG 3.25Å; S46-K50 PolarHBondContact O-N 3.1Å
47Y89.5Confident90.7Very high22 Ų2264.6 Ų64.69%0.08632%0.316CS..Hα-helixtrans-63.5-44.1177.5-178.2-91000111.9V43 T44 D49 K50 T51 L145 V230 I234 H237V43-Y47 PolarHBondContact O-N 3.41Å; T44-Y47 PolarHBondContact O-N 3.08Å; Y47-D49 PolarHBondContact O-N 3.49Å; Y47-K50 PolarHBondContact O-N 3.02Å; Y47-T51 HydrophobicContact CD1-CG2 4.27Å; Y47-T51 HydrophobicContact CD2-CG2 4.28Å; Y47-T51 HydrophobicContact CE1-CG2 3.78Å; Y47-T51 WeakPolarHBondContact CE1-OG1 3.5Å; Y47-T51 HydrophobicContact CE2-CG2 3.78Å; Y47-T51 HydrophobicContact CG-CG2 4.49Å; Y47-T51 VanDerWaalsContact CZ-CG2 3.49Å; Y47-T51 WeakPolarHBondContact O-CB 3.04Å; Y47-T51 WeakPolarHBondContact O-CG2 3.32Å; Y47-T51 PolarHBondContact O-N 3.29Å; Y47-T51 PolarHBondContact O-OG1 3.24Å; Y47-L145 HydrophobicContact CD1-CD1 4.19Å; Y47-L145 HydrophobicContact CE1-CD1 3.64Å; Y47-L145 HydrophobicContact CE2-CD1 4.04Å; Y47-V230 HydrophobicContact CD2-CG1 3.91Å; Y47-V230 HydrophobicContact CE2-CG1 3.94Å; Y47-I234 HydrophobicContact CD2-CD1 4.43Å; Y47-I234 HydrophobicContact CE2-CD1 4.3Å; Y47-H237 PolarHBondContact OH-NE2 3.25Å; Y47-H237 VanDerWaalsContact OH-NE2 3.11Å
48N89.1Confident91Very high20 Ų2065 Ų6511%0.10732%0.318CS..Hα-helixtrans-64.4-38.8179.8-85.7-5.5000112.8T44 F45 T51 H52 K55 A83T44-N48 WeakPolarHBondContact O-CB 3.24Å; T44-N48 PolarHBondContact O-N 3.45Å; F45-N48 PolarHBondContact O-N 3.03Å; N48-T51 CarbonylContact O-C 3.47Å; N48-H52 VanDerWaalsContact O-CA 3.24Å; N48-H52 WeakPolarHBondContact O-CA 3.28Å; N48-H52 WeakPolarHBondContact O-CB 3.48Å; N48-H52 PolarHBondContact O-N 3.39Å; N48-K55 PolarHBondContact OD1-NZ 3.06Å; N48-A83 PolarHBondContact ND2-O 3.14Å; N48-A83 PolarHBondContact OD1-O 2.96Å
49D90.4Very high91.4Very high122 Ų12259.9 Ų59.965%0.65230%0.295SS*.Hα-helixtrans-61.3-51.7175.2-175.560.5000110.7F45 S46 Y47 T51 H52F45-D49 WeakPolarHBondContact O-CB 3.47Å; F45-D49 PolarHBondContact O-N 3.38Å; S46-D49 PolarHBondContact O-N 2.9Å; Y47-D49 PolarHBondContact O-N 3.49Å; D49-T51 VanDerWaalsContact C-N 3.3Å; D49-T51 PolarHBondContact O-N 2.74Å; D49-H52 VanDerWaalsContact O-CB 3.27Å; D49-H52 WeakPolarHBondContact O-CB 3.42Å; D49-H52 PolarHBondContact O-N 2.93Å
50K92.3Very high91.7Very high78 Ų7863.5 Ų63.534%0.33930%0.303SS..Hα-helixtrans-63.9-31.1179.7-68.1169.8171.1-165.30113.9S46 Y47 E229 V230S46-K50 WeakPolarHBondContact O-CD 3.13Å; S46-K50 VanDerWaalsContact O-CG 3.23Å; S46-K50 WeakPolarHBondContact O-CG 3.25Å; S46-K50 PolarHBondContact O-N 3.1Å; Y47-K50 PolarHBondContact O-N 3.02Å; K50-E229 HydrophobicContact CB-CB 3.95Å; K50-E229 HydrophobicContact CD-CB 4.19Å; K50-E229 WeakPolarHBondContact CD-O 3.49Å; K50-E229 WeakPolarHBondContact CE-O 3.43Å; K50-E229 HydrophobicContact CG-CB 3.85Å; K50-E229 PolarHBondContact NZ-O 3.34Å; K50-V230 HydrophobicContact CB-CG1 4.18Å; K50-V230 HydrophobicContact CD-CG1 4.3Å
51T92.5Very high92.1Very high0 Ų065.7 Ų65.70%031%0.311CS..THydrogen-bonded Turntrans-103.68.8-179.662.10000113.3Y47 N48 D49 K53 L54 K55 V230Y47-T51 HydrophobicContact CD1-CG2 4.27Å; Y47-T51 HydrophobicContact CD2-CG2 4.28Å; Y47-T51 HydrophobicContact CE1-CG2 3.78Å; Y47-T51 WeakPolarHBondContact CE1-OG1 3.5Å; Y47-T51 HydrophobicContact CE2-CG2 3.78Å; Y47-T51 HydrophobicContact CG-CG2 4.49Å; Y47-T51 VanDerWaalsContact CZ-CG2 3.49Å; Y47-T51 WeakPolarHBondContact O-CB 3.04Å; Y47-T51 WeakPolarHBondContact O-CG2 3.32Å; Y47-T51 PolarHBondContact O-N 3.29Å; Y47-T51 PolarHBondContact O-OG1 3.24Å; N48-T51 CarbonylContact O-C 3.47Å; D49-T51 VanDerWaalsContact C-N 3.3Å; D49-T51 PolarHBondContact O-N 2.74Å; T51-K53 VanDerWaalsContact C-N 3.33Å; T51-K53 PolarHBondContact O-N 2.9Å; T51-L54 HydrophobicContact CG2-CD1 4.32Å; T51-L54 WeakPolarHBondContact O-CB 3.31Å; T51-L54 PolarHBondContact O-N 3.32Å; T51-K55 PolarHBondContact O-N 3.32Å; T51-V230 HydrophobicContact CG2-CG1 4.18Å
52H94.3Very high92.5Very high52 Ų5263.8 Ų63.824%0.24130%0.304CS..Hα-helixtrans-55.8-45.4-172.6-176.8-81000112.7N48 D49 L54 R56 F87N48-H52 VanDerWaalsContact O-CA 3.24Å; N48-H52 WeakPolarHBondContact O-CA 3.28Å; N48-H52 WeakPolarHBondContact O-CB 3.48Å; N48-H52 PolarHBondContact O-N 3.39Å; D49-H52 VanDerWaalsContact O-CB 3.27Å; D49-H52 WeakPolarHBondContact O-CB 3.42Å; D49-H52 PolarHBondContact O-N 2.93Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 2.99Å; H52-R56 VanDerWaalsContact O-CB 3.31Å; H52-R56 WeakPolarHBondContact O-CB 3.34Å; H52-R56 PolarHBondContact O-N 2.97Å; H52-F87 AromaticContact CD2-CE1 3.71Å; H52-F87 AromaticContact CD2-CZ 3.78Å; H52-F87 AromaticContact NE2-CE1 3.75Å
53K94.8Very high93Very high158 Ų15861.6 Ų61.669%0.68730%0.301SS*.Hα-helixtrans-64.5-39.6178.9-68.5178.2-176.5169.30111.8T51 E57T51-K53 VanDerWaalsContact C-N 3.33Å; T51-K53 PolarHBondContact O-N 2.9Å; K53-E57 PolarHBondContact O-N 2.95Å
54L94.8Very high93.5Very high34 Ų3462.5 Ų62.518%0.17829%0.293CS..Hα-helixtrans-66.3-48.8179.5-60.2175.1000110.9T51 H52 R56 E57 L58 I225 A227 M239T51-L54 HydrophobicContact CG2-CD1 4.32Å; T51-L54 WeakPolarHBondContact O-CB 3.31Å; T51-L54 PolarHBondContact O-N 3.32Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 2.99Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.03Å; L54-E57 PolarHBondContact O-N 3.01Å; L54-L58 WeakPolarHBondContact O-CB 3.23Å; L54-L58 PolarHBondContact O-N 3.2Å; L54-I225 HydrophobicContact CD1-CD1 3.68Å; L54-I225 HydrophobicContact CD2-CD1 3.8Å; L54-I225 HydrophobicContact CG-CD1 4.2Å; L54-A227 HydrophobicContact CD1-CB 4.25Å; L54-M239 HydrophobicContact CB-SD 4.35Å; L54-M239 HydrophobicContact CD2-SD 4.38Å
55K96.4Very high94Very high3 Ų361.8 Ų61.81%0.01329%0.288CS..Hα-helixtrans-62.6-41.4177.1-69.4-170.3173.9-161.80111.9N48 T51 E57 L58 F59 N84 F87 L173N48-K55 PolarHBondContact OD1-NZ 3.06Å; T51-K55 PolarHBondContact O-N 3.32Å; K55-E57 VanDerWaalsContact C-N 3.34Å; K55-E57 PolarHBondContact O-N 3.22Å; K55-L58 PolarHBondContact O-N 3.02Å; K55-F59 HydrophobicContact CB-CD2 4.3Å; K55-F59 HydrophobicContact CB-CE2 4.25Å; K55-F59 HydrophobicContact CG-CE2 4.49Å; K55-F59 WeakPolarHBondContact O-CD2 3.23Å; K55-F59 PolarHBondContact O-N 2.66Å; K55-N84 WeakPolarHBondContact CD-OD1 3.43Å; K55-N84 VanDerWaalsContact CE-OD1 3.3Å; K55-N84 WeakPolarHBondContact CE-OD1 3.44Å; K55-N84 PolarHBondContact NZ-OD1 3.3Å; K55-F87 HydrophobicContact CB-CD1 4.12Å; K55-F87 HydrophobicContact CB-CD2 3.78Å; K55-F87 HydrophobicContact CB-CE1 3.95Å; K55-F87 HydrophobicContact CB-CE2 3.62Å; K55-F87 HydrophobicContact CB-CG 4.04Å; K55-F87 HydrophobicContact CB-CZ 3.7Å; K55-F87 HydrophobicContact CD-CD2 4.02Å; K55-F87 HydrophobicContact CD-CE2 3.48Å; K55-F87 VanDerWaalsContact CD-CE2 3.48Å; K55-F87 HydrophobicContact CD-CZ 4.1Å; K55-F87 HydrophobicContact CG-CE2 4.19Å; K55-L173 HydrophobicContact CG-CD2 4.05Å
56R97Very high94.6Very high145 Ų14557.9 Ų57.955%0.54728%0.277SS..Hα-helixtrans-62-40.7174.4-171.5179.865.7-158.60.7112.2H52 L54 R60 F87H52-R56 VanDerWaalsContact O-CB 3.31Å; H52-R56 WeakPolarHBondContact O-CB 3.34Å; H52-R56 PolarHBondContact O-N 2.97Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.03Å; R56-R60 WeakPolarHBondContact O-CB 3.14Å; R56-R60 PolarHBondContact O-N 2.8Å; R56-F87 HydrophobicContact CB-CD1 4.21Å; R56-F87 HydrophobicContact CB-CE1 4.35Å
57E97.1Very high94.9Very high73 Ų7357.9 Ų57.934%0.34127%0.273SS..Hα-helixtrans-66.2-44.3174.3-177.4-178.7163.900111.5K53 L54 K55 F59 R60 K223 M239K53-E57 PolarHBondContact O-N 2.95Å; L54-E57 PolarHBondContact O-N 3.01Å; K55-E57 VanDerWaalsContact C-N 3.34Å; K55-E57 PolarHBondContact O-N 3.22Å; E57-F59 PolarHBondContact O-N 3.15Å; E57-R60 VanDerWaalsContact O-CD 3.3Å; E57-R60 WeakPolarHBondContact O-CD 3.37Å; E57-R60 WeakPolarHBondContact O-CG 3.4Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-K223 IonicContact OE1-NZ 3.88Å; E57-K223 PolarHBondContact OE1-NZ 3.38Å; E57-M239 HydrophobicContact CB-CE 4.21Å; E57-M239 HydrophobicContact CG-CE 4.15Å
58L97.8Very high95Very high8 Ų862.6 Ų62.64%0.04232%0.316CS..Hα-helixtrans-56.7-52.8-178.7178.658.4000111L54 K55 R60 Y171 L173 M239 G240L54-L58 WeakPolarHBondContact O-CB 3.23Å; L54-L58 PolarHBondContact O-N 3.2Å; K55-L58 PolarHBondContact O-N 3.02Å; L58-R60 PolarHBondContact O-N 2.92Å; L58-Y171 HydrophobicContact CD1-CD1 3.88Å; L58-Y171 HydrophobicContact CG-CD1 4.16Å; L58-Y171 VanDerWaalsContact O-CE1 3.26Å; L58-Y171 WeakPolarHBondContact O-CE1 3.46Å; L58-L173 HydrophobicContact CD2-CB 3.84Å; L58-M239 HydrophobicContact CB-CE 3.58Å; L58-M239 HydrophobicContact CD1-CB 4.33Å; L58-M239 HydrophobicContact CD1-CE 4.09Å; L58-M239 HydrophobicContact CG-CE 4.41Å; L58-G240 WeakPolarHBondContact CD1-O 3.44Å
59F98.1Very high95.1Very high6 Ų667.3 Ų67.33%0.02634%0.341CS..Hα-helixtrans-880.5-172.6-58.2-57.9000114.1K55 E57 N61 L62 N84 F87 Y88 V142 T144 Y171K55-F59 HydrophobicContact CB-CD2 4.3Å; K55-F59 HydrophobicContact CB-CE2 4.25Å; K55-F59 HydrophobicContact CG-CE2 4.49Å; K55-F59 WeakPolarHBondContact O-CD2 3.23Å; K55-F59 PolarHBondContact O-N 2.66Å; E57-F59 PolarHBondContact O-N 3.15Å; F59-N61 PolarHBondContact O-N 3.43Å; F59-L62 HydrophobicContact CB-CB 4.49Å; F59-L62 HydrophobicContact CB-CD1 4.48Å; F59-L62 HydrophobicContact CD1-CD1 3.59Å; F59-L62 HydrophobicContact CE1-CD1 4.27Å; F59-L62 HydrophobicContact CG-CD1 4.41Å; F59-L62 VanDerWaalsContact O-CB 3.23Å; F59-L62 WeakPolarHBondContact O-CB 3.48Å; F59-L62 PolarHBondContact O-N 2.58Å; F59-N84 HydrophobicContact CE2-CB 4.05Å; F59-N84 HydrophobicContact CZ-CB 4.21Å; F59-F87 HydrophobicContact CB-CB 4.14Å; F59-F87 HydrophobicContact CD2-CB 3.55Å; F59-F87 HydrophobicContact CD2-CD2 4.42Å; F59-F87 HydrophobicContact CD2-CG 4.17Å; F59-F87 HydrophobicContact CE2-CB 4.39Å; F59-F87 HydrophobicContact CG-CB 4.22Å; F59-Y88 HydrophobicContact CD1-CD1 4.36Å; F59-Y88 AromaticContact CD1-CE1 3.84Å; F59-Y88 HydrophobicContact CD1-CE1 3.84Å; F59-Y88 HydrophobicContact CD2-CE1 4.13Å; F59-Y88 AromaticContact CE1-CE1 3.76Å; F59-Y88 HydrophobicContact CE1-CE1 3.76Å; F59-Y88 HydrophobicContact CE2-CE1 4.06Å; F59-Y88 HydrophobicContact CG-CD1 4.28Å; F59-Y88 HydrophobicContact CG-CE1 4.01Å; F59-Y88 AromaticContact CZ-CE1 3.87Å; F59-Y88 HydrophobicContact CZ-CE1 3.87Å; F59-V142 HydrophobicContact CE1-CG1 3.81Å; F59-V142 HydrophobicContact CE1-CG2 4.08Å; F59-V142 HydrophobicContact CZ-CG1 3.85Å; F59-T144 HydrophobicContact CZ-CG2 4.11Å; F59-Y171 HydrophobicContact CD1-CD1 4.15Å; F59-Y171 HydrophobicContact CE1-CD1 4.42Å
60R96.8Very high95.1Very high166 Ų16664.2 Ų64.263%0.62634%0.339SS*.THydrogen-bonded Turntrans-55.5-31.1-176.377.1-170.8177.2166.6-1.2114.2R56 E57 L58R56-R60 WeakPolarHBondContact O-CB 3.14Å; R56-R60 PolarHBondContact O-N 2.8Å; E57-R60 VanDerWaalsContact O-CD 3.3Å; E57-R60 WeakPolarHBondContact O-CD 3.37Å; E57-R60 WeakPolarHBondContact O-CG 3.4Å; E57-R60 PolarHBondContact O-N 2.88Å; L58-R60 PolarHBondContact O-N 2.92Å
61N95.2Very high95.2Very high67 Ų6763.5 Ų63.536%0.35834%0.341SS..THydrogen-bonded Turntrans-1066.7-175.9-72.6-20000112.5F59 G63 R64 Y171F59-N61 PolarHBondContact O-N 3.43Å; N61-G63 PolarHBondContact O-N 2.87Å; N61-R64 WeakPolarHBondContact O-CB 3.12Å; N61-R64 WeakPolarHBondContact O-CG 3.37Å; N61-R64 PolarHBondContact O-N 3.34Å; N61-R64 VanDerWaalsContact O-N 3.11Å; N61-Y171 PolarHBondContact O-OH 2.95Å
62L96.8Very high95.5Very high0 Ų063.7 Ų63.70%034%0.342CS..G310 helixtrans-60.6-35.9-174.6-170.3144.7000111.7F59 R64 F65 L72 L74 Y88 P89 V140 V142 Y171F59-L62 HydrophobicContact CB-CB 4.49Å; F59-L62 HydrophobicContact CB-CD1 4.48Å; F59-L62 HydrophobicContact CD1-CD1 3.59Å; F59-L62 HydrophobicContact CE1-CD1 4.27Å; F59-L62 HydrophobicContact CG-CD1 4.41Å; F59-L62 VanDerWaalsContact O-CB 3.23Å; F59-L62 WeakPolarHBondContact O-CB 3.48Å; F59-L62 PolarHBondContact O-N 2.58Å; L62-R64 PolarHBondContact O-N 2.86Å; L62-R64 VanDerWaalsContact O-N 3.14Å; L62-F65 PolarHBondContact O-N 3.44Å; L62-L72 HydrophobicContact CD2-CD2 3.27Å; L62-L72 HydrophobicContact CD2-CG 4.5Å; L62-L72 HydrophobicContact CG-CD2 4.47Å; L62-L74 HydrophobicContact CD1-CD1 3.84Å; L62-L74 HydrophobicContact CD2-CD1 4.02Å; L62-L74 HydrophobicContact CG-CD1 4.49Å; L62-Y88 HydrophobicContact CD1-CD1 4.17Å; L62-Y88 HydrophobicContact CD1-CE1 4.24Å; L62-P89 HydrophobicContact CB-CG 4.5Å; L62-P89 VanDerWaalsContact CD2-CD 3.41Å; L62-P89 HydrophobicContact CD2-CG 3.66Å; L62-V140 HydrophobicContact CD1-CG1 4.04Å; L62-V140 HydrophobicContact CG-CG1 4.28Å; L62-V140 HydrophobicContact CG-CG2 4.4Å; L62-V142 HydrophobicContact CD1-CG2 4.28Å; L62-Y171 WeakPolarHBondContact CA-OH 3.47Å; L62-Y171 HydrophobicContact CD1-CD2 4.39Å; L62-Y171 HydrophobicContact CD1-CE2 4.47Å; L62-Y171 HydrophobicContact CG-CE2 4.36Å
63G96.3Very high95.7Very high36 Ų3665.7 Ų65.737%0.37135%0.347SS..G310 helixtrans-64.5-13.7177.600000115.7N61 F65 A66N61-G63 PolarHBondContact O-N 2.87Å; G63-F65 PolarHBondContact O-N 2.89Å; G63-A66 VanDerWaalsContact O-CB 3.3Å; G63-A66 WeakPolarHBondContact O-CB 3.33Å; G63-A66 PolarHBondContact O-N 2.82Å
64R96.4Very high95.9Very high117 Ų11758.2 Ų58.244%0.44232%0.315SS..G310 helixtrans-68.3-16.917783.3-172.2172.9172.5-3.3113.2N61 L62 A66 Y241N61-R64 WeakPolarHBondContact O-CB 3.12Å; N61-R64 WeakPolarHBondContact O-CG 3.37Å; N61-R64 PolarHBondContact O-N 3.34Å; N61-R64 VanDerWaalsContact O-N 3.11Å; L62-R64 PolarHBondContact O-N 2.86Å; L62-R64 VanDerWaalsContact O-N 3.14Å; R64-A66 VanDerWaalsContact C-N 3.3Å; R64-Y241 PolarHBondContact NH1-OH 3.26Å; R64-Y241 VanDerWaalsContact NH2-CD2 3.34Å; R64-Y241 PolarHBondContact NH2-OH 3.46Å
65F97.1Very high96.1Very high14 Ų1456.6 Ų56.66%0.06131%0.306CS..G310 helixtrans-89.11178.9-67-72.6000112.7L62 G63 L72 V140 R165 A169 Y171 I243L62-F65 PolarHBondContact O-N 3.44Å; G63-F65 PolarHBondContact O-N 2.89Å; F65-L72 HydrophobicContact CB-CD1 4.05Å; F65-V140 HydrophobicContact CB-CG2 3.72Å; F65-V140 HydrophobicContact CD2-CG2 4.01Å; F65-V140 HydrophobicContact CG-CG2 4.05Å; F65-R165 PolarHBondContact O-NH2 3.23Å; F65-A169 HydrophobicContact CD1-CB 4.19Å; F65-A169 HydrophobicContact CD2-CB 4.07Å; F65-A169 HydrophobicContact CE1-CB 3.61Å; F65-A169 HydrophobicContact CE2-CB 3.44Å; F65-A169 VanDerWaalsContact CE2-CB 3.44Å; F65-A169 HydrophobicContact CG-CB 4.39Å; F65-A169 HydrophobicContact CZ-CB 3.18Å; F65-Y171 AromaticContact CD2-CE2 3.94Å; F65-Y171 HydrophobicContact CD2-CE2 3.94Å; F65-Y171 AromaticContact CE2-CE2 3.64Å; F65-Y171 HydrophobicContact CE2-CE2 3.64Å; F65-Y171 AromaticContact CE2-CZ 3.91Å; F65-Y171 WeakPolarHBondContact CE2-OH 3.42Å; F65-I243 HydrophobicContact CZ-CD1 4.45Å; F65-I243 HydrophobicContact CZ-CG1 4.35Å
66A96.5Very high96.2Very high35 Ų3556.5 Ų56.529%0.28931%0.306SS..  trans-61.5147.3175.200000110.6G63 R64 T71 L72G63-A66 VanDerWaalsContact O-CB 3.3Å; G63-A66 WeakPolarHBondContact O-CB 3.33Å; G63-A66 PolarHBondContact O-N 2.82Å; R64-A66 VanDerWaalsContact C-N 3.3Å; A66-T71 CarbonylContact C-O 3.59Å; A66-T71 VanDerWaalsContact CA-O 3.3Å; A66-T71 WeakPolarHBondContact CA-O 3.34Å; A66-L72 HydrophobicContact CB-CB 4.25Å; A66-L72 HydrophobicContact CB-CD1 4.47Å
67N94.1Very high96.2Very high59 Ų5949.7 Ų49.732%0.31628%0.28SS..  trans-69.1169176-67-60.5000111D69 G70 T71 D139N67-D69 WeakPolarHBondContact CB-OD1 3.27Å; N67-D69 PolarHBondContact O-N 2.8Å; N67-D69 VanDerWaalsContact O-N 3.13Å; N67-G70 WeakPolarHBondContact O-CA 3.43Å; N67-G70 PolarHBondContact O-N 2.82Å; N67-T71 PolarHBondContact N-O 2.9Å; N67-T71 PolarHBondContact ND2-O 2.87Å; N67-D139 PolarHBondContact ND2-OD1 3.48Å; N67-D139 PolarHBondContact ND2-OD2 2.88Å; N67-D139 PolarHBondContact OD1-OD1 2.8Å
68A91.7Very high96.2Very high121 Ų12147.3 Ų47.3100%128%0.275SS*.THydrogen-bonded Turntrans-60.8-24.1-17800000113.5G70A68-G70 VanDerWaalsContact C-N 3.28Å
69D91.4Very high96.1Very high119 Ų11947.1 Ų47.164%0.63628%0.275SS*.THydrogen-bonded Turntrans-84.50.5174.465.9-1.7000113.5N67 T71N67-D69 WeakPolarHBondContact CB-OD1 3.27Å; N67-D69 PolarHBondContact O-N 2.8Å; N67-D69 VanDerWaalsContact O-N 3.13Å; D69-T71 VanDerWaalsContact C-N 3.34Å; D69-T71 WeakPolarHBondContact OD1-CB 3.32Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.24Å; D69-T71 PolarHBondContact OD1-N 2.85Å; D69-T71 PolarHBondContact OD1-OG1 2.86Å; D69-T71 PolarHBondContact OD2-OG1 3.07Å
70G90.4Very high95.9Very high58 Ų5847.4 Ų47.460%0.59828%0.279SS*.SBendtrans83.91.1-179.300000114.7N67 A68N67-G70 WeakPolarHBondContact O-CA 3.43Å; N67-G70 PolarHBondContact O-N 2.82Å; A68-G70 VanDerWaalsContact C-N 3.28Å
71T94.7Very high95.8Very high62 Ų6239.8 Ų39.838%0.3825%0.251SS..  trans-75.7147.3177.563.70000111.6A66 N67 D69A66-T71 CarbonylContact C-O 3.59Å; A66-T71 VanDerWaalsContact CA-O 3.3Å; A66-T71 WeakPolarHBondContact CA-O 3.34Å; N67-T71 PolarHBondContact N-O 2.9Å; N67-T71 PolarHBondContact ND2-O 2.87Å; D69-T71 VanDerWaalsContact C-N 3.34Å; D69-T71 WeakPolarHBondContact OD1-CB 3.32Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.24Å; D69-T71 PolarHBondContact OD1-N 2.85Å; D69-T71 PolarHBondContact OD1-OG1 2.86Å; D69-T71 PolarHBondContact OD2-OG1 3.07Å
72L97.9Very high95.8Very high4 Ų436.7 Ų36.72%0.02124%0.235CC..  trans-141.9116.9175.2-17568.5000110.3L62 F65 A66 P89 C92 T93 D139 V140L62-L72 HydrophobicContact CD2-CD2 3.27Å; L62-L72 HydrophobicContact CD2-CG 4.5Å; L62-L72 HydrophobicContact CG-CD2 4.47Å; F65-L72 HydrophobicContact CB-CD1 4.05Å; A66-L72 HydrophobicContact CB-CB 4.25Å; A66-L72 HydrophobicContact CB-CD1 4.47Å; L72-P89 HydrophobicContact CD2-CG 4.04Å; L72-C92 VanDerWaalsContact CD2-SG 3.55Å; L72-C92 CarbonylContact O-C 3.58Å; L72-C92 WeakPolarHBondContact O-CA 3.3Å; L72-T93 PolarHBondContact O-N 2.81Å; L72-D139 WeakPolarHBondContact CA-OD2 3.43Å; L72-D139 HydrophobicContact CD1-CB 3.45Å; L72-D139 VanDerWaalsContact CD1-CB 3.45Å; L72-V140 HydrophobicContact CD1-CG2 4.13Å
73R98.4Very high95.6Very high95 Ų9537.7 Ų37.736%0.35824%0.243SC..EExtended strand (participates in β ladder)trans-101.3127.1175.9-65.5179.371.177.75.8109.6T93 D120 D139 V140R73-T93 WeakPolarHBondContact CA-O 3.41Å; R73-D120 IonicContact CZ-OD2 2.69Å; R73-D120 IonicContact NH1-OD2 3.6Å; R73-D120 IonicContact NH2-OD2 3.08Å; R73-D120 PolarHBondContact NH2-OD2 2.95Å; R73-D139 PolarHBondContact N-OD2 3.47Å; R73-D139 WeakPolarHBondContact O-CB 3.4Å; R73-D139 PolarHBondContact O-N 2.72Å; R73-V140 PolarHBondContact O-N 3.1Å
74L98.4Very high95.7Very high0 Ų036 Ų360%023%0.226CC..EExtended strand (participates in β ladder)trans-125.5137-175.8-174.9149.5000111.1L62 E76 Y88 T93 V94 I95 V140 V142L62-L74 HydrophobicContact CD1-CD1 3.84Å; L62-L74 HydrophobicContact CD2-CD1 4.02Å; L62-L74 HydrophobicContact CG-CD1 4.49Å; L74-E76 HydrophobicContact CD2-CB 4.23Å; L74-Y88 HydrophobicContact CD1-CD2 4.26Å; L74-Y88 HydrophobicContact CD1-CE1 4.41Å; L74-Y88 HydrophobicContact CD1-CE2 4.09Å; L74-Y88 HydrophobicContact CD1-CG 4.49Å; L74-Y88 HydrophobicContact CD2-CD2 4.5Å; L74-Y88 HydrophobicContact CD2-CE2 3.85Å; L74-T93 PolarHBondContact N-O 3.11Å; L74-V94 HydrophobicContact CD2-CG1 4.07Å; L74-V94 WeakPolarHBondContact O-CA 3.15Å; L74-I95 PolarHBondContact O-N 2.7Å; L74-V140 CarbonylContact C-O 3.36Å; L74-V140 VanDerWaalsContact CA-O 3.23Å; L74-V140 WeakPolarHBondContact CA-O 3.43Å; L74-V140 HydrophobicContact CD1-CB 4.21Å; L74-V140 HydrophobicContact CD1-CG1 3.81Å; L74-V140 HydrophobicContact CG-CB 4.29Å; L74-V140 HydrophobicContact CG-CG1 4.12Å; L74-V142 HydrophobicContact CD1-CG2 3.59Å; L74-V142 HydrophobicContact CD2-CB 4.36Å; L74-V142 HydrophobicContact CD2-CG2 3.95Å; L74-V142 HydrophobicContact CG-CG2 3.95Å
75L98.7Very high95.7Very high0 Ų030.4 Ų30.40%021%0.205CC..EExtended strand (participates in β ladder)trans-102.7119166.8-177.168.2000110.3I77 I95 T97 M130 V133 V138 V140 V141 V142 I163L75-I77 HydrophobicContact CD2-CG1 4.14Å; L75-I77 HydrophobicContact CG-CG1 4.29Å; L75-I95 CarbonylContact C-O 3.32Å; L75-I95 WeakPolarHBondContact CA-O 3.39Å; L75-I95 HydrophobicContact CD1-CB 3.85Å; L75-I95 HydrophobicContact CD1-CG2 3.58Å; L75-T97 HydrophobicContact CD1-CG2 3.77Å; L75-M130 HydrophobicContact CD2-CE 4.35Å; L75-M130 HydrophobicContact CD2-SD 4.07Å; L75-V133 HydrophobicContact CD1-CG2 4.39Å; L75-V133 HydrophobicContact CD2-CG1 4.44Å; L75-V138 HydrophobicContact CB-CG1 4.29Å; L75-V138 HydrophobicContact CB-CG2 4.26Å; L75-V140 PolarHBondContact N-O 3.39Å; L75-V141 HydrophobicContact CB-CG2 4.2Å; L75-V141 HydrophobicContact CD2-CG2 4.44Å; L75-V141 CarbonylContact O-C 3.59Å; L75-V141 WeakPolarHBondContact O-CA 3.29Å; L75-V142 PolarHBondContact O-N 3.25Å; L75-I163 HydrophobicContact CD2-CD1 3.82Å; L75-I163 HydrophobicContact CD2-CG2 4.02Å
76E98.6Very high95.7Very high2 Ų236.8 Ų36.81%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-92.6104.1171.1-171.481-179.400109.4L74 C79 N84 F85 Y88 V94 I95 T97 V142L74-E76 HydrophobicContact CD2-CB 4.23Å; E76-C79 HydrophobicContact CB-CB 4.08Å; E76-C79 HydrophobicContact CG-CB 3.57Å; E76-N84 PolarHBondContact OE1-ND2 2.9Å; E76-F85 HydrophobicContact CG-CE1 4.31Å; E76-Y88 VanDerWaalsContact CD-OH 3.27Å; E76-Y88 PolarHBondContact OE1-OH 2.73Å; E76-Y88 WeakPolarHBondContact OE2-CE2 3.43Å; E76-Y88 VanDerWaalsContact OE2-CZ 3.3Å; E76-Y88 PolarHBondContact OE2-OH 2.84Å; E76-V94 HydrophobicContact CB-CG1 4.35Å; E76-I95 PolarHBondContact N-O 2.81Å; E76-T97 PolarHBondContact O-N 2.77Å; E76-V142 WeakPolarHBondContact OE2-CB 3.45Å
77I98.5Very high95.7Very high2 Ų236.4 Ų36.41%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-80.2133.7173.3-53.3175.8000108.6L75 M130 V141 V142 V146 V156 A160L75-I77 HydrophobicContact CD2-CG1 4.14Å; L75-I77 HydrophobicContact CG-CG1 4.29Å; I77-M130 HydrophobicContact CD1-CE 3.67Å; I77-M130 HydrophobicContact CD1-SD 4.18Å; I77-M130 HydrophobicContact CG1-CE 4.18Å; I77-M130 HydrophobicContact CG1-SD 4.03Å; I77-M130 HydrophobicContact CG2-SD 4.45Å; I77-V141 HydrophobicContact CD1-CG1 3.44Å; I77-V141 VanDerWaalsContact CD1-CG1 3.44Å; I77-V141 HydrophobicContact CG1-CG1 3.85Å; I77-V142 PolarHBondContact N-O 3.11Å; I77-V146 HydrophobicContact CG2-CG1 4.07Å; I77-V146 WeakPolarHBondContact O-CG2 3.3Å; I77-V156 HydrophobicContact CD1-CG1 4.27Å; I77-V156 HydrophobicContact CG2-CG1 4.49Å; I77-A160 HydrophobicContact CD1-CB 4.33Å
78G96.8Very high95.8Very high23 Ų2334 Ų3424%0.23721%0.206CC..THydrogen-bonded Turntrans60.650.1-178.700000111.5G80 T97G78-G80 PolarHBondContact O-N 2.45Å; G78-G80 VanDerWaalsContact O-N 3.08Å; G78-T97 CarbonylContact C-O 3.59Å; G78-T97 VanDerWaalsContact CA-O 3.24Å; G78-T97 WeakPolarHBondContact CA-O 3.08Å; G78-T97 PolarHBondContact N-O 3.34Å
79C95.6Very high96Very high4 Ų430 Ų303%0.02717%0.171CC..  trans-60-25.2-170.167.70000113.4E76 S81 G82 C96 T97 L107E76-C79 HydrophobicContact CB-CB 4.08Å; E76-C79 HydrophobicContact CG-CB 3.57Å; C79-S81 PolarHBondContact O-N 3Å; C79-S81 VanDerWaalsContact O-N 3.13Å; C79-G82 PolarHBondContact O-N 2.88Å; C79-C96 HydrophobicContact CB-CB 3.76Å; C79-T97 PolarHBondContact N-O 3.13Å; C79-L107 HydrophobicContact CB-CD1 4.02Å
80G94.2Very high96.2Very high11 Ų1134 Ų3411%0.11318%0.178CC..THydrogen-bonded Turntrans47.3-120.7-174.500000110.9G78 D98G78-G80 PolarHBondContact O-N 2.45Å; G78-G80 VanDerWaalsContact O-N 3.08Å; G80-D98 WeakPolarHBondContact CA-OD2 3.39Å; G80-D98 PolarHBondContact N-OD2 3.47Å
81S93.6Very high96.3Very high7 Ų733 Ų335%0.04917%0.168CC..THydrogen-bonded Turntrans-92.717.6177.968.90000115Y41 C79 S110Y41-S81 VanDerWaalsContact CD2-CB 3.42Å; C79-S81 PolarHBondContact O-N 3Å; C79-S81 VanDerWaalsContact O-N 3.13Å; S81-S110 WeakPolarHBondContact O-CB 3.45Å
82G94.9Very high96.3Very high2 Ų230.1 Ų30.12%0.02115%0.151CC..THydrogen-bonded Turntrans72.143.5179.500000113.6C79 N84 F85 S110C79-G82 PolarHBondContact O-N 2.88Å; G82-N84 PolarHBondContact O-N 3.08Å; G82-N84 VanDerWaalsContact O-N 3.15Å; G82-F85 WeakPolarHBondContact O-CG 3.4Å; G82-F85 PolarHBondContact O-N 3.38Å; G82-S110 PolarHBondContact O-OG 3.49Å
83A94.6Very high96.3Very high20 Ų2031.3 Ų31.317%0.16516%0.158CC..THydrogen-bonded Turntrans-64.4-19.2-171.100000114.5T44 N48T44-A83 HydrophobicContact CG2-CB 3.5Å; T44-A83 VanDerWaalsContact CG2-CB 3.5Å; N48-A83 PolarHBondContact ND2-O 3.14Å; N48-A83 PolarHBondContact OD1-O 2.96Å
84N97.1Very high96.3Very high1 Ų126.8 Ų26.81%0.00514%0.141CC..THydrogen-bonded Turntrans-101.6-14.2-173-65.1-37.5000114.2K55 F59 E76 G82 R86 F87 Y88 T144K55-N84 WeakPolarHBondContact CD-OD1 3.43Å; K55-N84 VanDerWaalsContact CE-OD1 3.3Å; K55-N84 WeakPolarHBondContact CE-OD1 3.44Å; K55-N84 PolarHBondContact NZ-OD1 3.3Å; F59-N84 HydrophobicContact CE2-CB 4.05Å; F59-N84 HydrophobicContact CZ-CB 4.21Å; E76-N84 PolarHBondContact OE1-ND2 2.9Å; G82-N84 PolarHBondContact O-N 3.08Å; G82-N84 VanDerWaalsContact O-N 3.15Å; N84-R86 VanDerWaalsContact C-N 3.26Å; N84-R86 PolarHBondContact O-N 2.72Å; N84-R86 VanDerWaalsContact O-N 3.08Å; N84-F87 WeakPolarHBondContact O-CB 3.33Å; N84-F87 WeakPolarHBondContact O-CD2 3.26Å; N84-F87 PolarHBondContact O-N 3.5Å; N84-Y88 HydrophobicContact CB-CE1 3.84Å; N84-Y88 HydrophobicContact CB-CE2 4.23Å; N84-Y88 VanDerWaalsContact CB-CZ 3.48Å; N84-Y88 WeakPolarHBondContact CB-OH 3.37Å; N84-T144 PolarHBondContact ND2-OG1 3.06Å
85F96.8Very high96.3Very high0 Ų027.1 Ų27.10%014%0.143CC..G310 helixtrans-55.4-36.5-167.8-66.5-9.6000114.6E76 G82 F87 Y88 V94 L107 S110 M111 N114 H116 L117E76-F85 HydrophobicContact CG-CE1 4.31Å; G82-F85 WeakPolarHBondContact O-CG 3.4Å; G82-F85 PolarHBondContact O-N 3.38Å; F85-F87 PolarHBondContact O-N 3.15Å; F85-F87 VanDerWaalsContact O-N 3.09Å; F85-Y88 HydrophobicContact CD1-CD2 4.07Å; F85-Y88 AromaticContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CE1-CE2 4.25Å; F85-Y88 PolarHBondContact O-N 2.94Å; F85-Y88 VanDerWaalsContact O-N 3.15Å; F85-V94 HydrophobicContact CE1-CG1 3.96Å; F85-V94 HydrophobicContact CZ-CG1 4.35Å; F85-L107 HydrophobicContact CE2-CD1 3.47Å; F85-L107 VanDerWaalsContact CE2-CD1 3.47Å; F85-L107 HydrophobicContact CE2-CG 4.23Å; F85-L107 HydrophobicContact CZ-CD1 3.48Å; F85-L107 VanDerWaalsContact CZ-CD1 3.48Å; F85-L107 HydrophobicContact CZ-CG 4.44Å; F85-S110 WeakPolarHBondContact CD2-OG 3.35Å; F85-M111 HydrophobicContact CD2-CG 4.23Å; F85-M111 HydrophobicContact CD2-SD 3.24Å; F85-M111 WeakPolarHBondContact CD2-SD 3.46Å; F85-M111 HydrophobicContact CE2-CG 3.85Å; F85-M111 HydrophobicContact CE2-SD 3.16Å; F85-M111 WeakPolarHBondContact CE2-SD 3.42Å; F85-M111 HydrophobicContact CG-SD 4.09Å; F85-M111 HydrophobicContact CZ-SD 3.96Å; F85-N114 HydrophobicContact CB-CB 4.14Å; F85-H116 PolarHBondContact O-NE2 3.48Å; F85-L117 HydrophobicContact CB-CD1 3.57Å; F85-L117 HydrophobicContact CD1-CD1 4.37Å; F85-L117 HydrophobicContact CG-CD1 3.98Å
86R96.1Very high96.2Very high148 Ų14827.1 Ų27.156%0.55814%0.143SC*.G310 helixtrans-63.1-16.7177.372.5177.6-57.3179.75.8114.9N84 N114N84-R86 VanDerWaalsContact C-N 3.26Å; N84-R86 PolarHBondContact O-N 2.72Å; N84-R86 VanDerWaalsContact O-N 3.08Å; R86-N114 WeakPolarHBondContact CA-OD1 3.2Å; R86-N114 WeakPolarHBondContact CB-OD1 3.5Å; R86-N114 PolarHBondContact N-OD1 2.76Å
87F96.9Very high96.2Very high26 Ų2627.1 Ų27.111%0.11414%0.142CC..G310 helixtrans-99.7-6.2-178.2-54.3-76000112.6H52 K55 R56 F59 N84 F85H52-F87 AromaticContact CD2-CE1 3.71Å; H52-F87 AromaticContact CD2-CZ 3.78Å; H52-F87 AromaticContact NE2-CE1 3.75Å; K55-F87 HydrophobicContact CB-CD1 4.12Å; K55-F87 HydrophobicContact CB-CD2 3.78Å; K55-F87 HydrophobicContact CB-CE1 3.95Å; K55-F87 HydrophobicContact CB-CE2 3.62Å; K55-F87 HydrophobicContact CB-CG 4.04Å; K55-F87 HydrophobicContact CB-CZ 3.7Å; K55-F87 HydrophobicContact CD-CD2 4.02Å; K55-F87 HydrophobicContact CD-CE2 3.48Å; K55-F87 VanDerWaalsContact CD-CE2 3.48Å; K55-F87 HydrophobicContact CD-CZ 4.1Å; K55-F87 HydrophobicContact CG-CE2 4.19Å; R56-F87 HydrophobicContact CB-CD1 4.21Å; R56-F87 HydrophobicContact CB-CE1 4.35Å; F59-F87 HydrophobicContact CB-CB 4.14Å; F59-F87 HydrophobicContact CD2-CB 3.55Å; F59-F87 HydrophobicContact CD2-CD2 4.42Å; F59-F87 HydrophobicContact CD2-CG 4.17Å; F59-F87 HydrophobicContact CE2-CB 4.39Å; F59-F87 HydrophobicContact CG-CB 4.22Å; N84-F87 WeakPolarHBondContact O-CB 3.33Å; N84-F87 WeakPolarHBondContact O-CD2 3.26Å; N84-F87 PolarHBondContact O-N 3.5Å; F85-F87 PolarHBondContact O-N 3.15Å; F85-F87 VanDerWaalsContact O-N 3.09Å
88Y97.5Very high96.1Very high8 Ų827.6 Ų27.63%0.03115%0.145CC..SBendtrans-81.2149-179.1-63.2-14.9000111.8F59 L62 L74 E76 N84 F85 V94 H116 L117 V142F59-Y88 HydrophobicContact CD1-CD1 4.36Å; F59-Y88 AromaticContact CD1-CE1 3.84Å; F59-Y88 HydrophobicContact CD1-CE1 3.84Å; F59-Y88 HydrophobicContact CD2-CE1 4.13Å; F59-Y88 AromaticContact CE1-CE1 3.76Å; F59-Y88 HydrophobicContact CE1-CE1 3.76Å; F59-Y88 HydrophobicContact CE2-CE1 4.06Å; F59-Y88 HydrophobicContact CG-CD1 4.28Å; F59-Y88 HydrophobicContact CG-CE1 4.01Å; F59-Y88 AromaticContact CZ-CE1 3.87Å; F59-Y88 HydrophobicContact CZ-CE1 3.87Å; L62-Y88 HydrophobicContact CD1-CD1 4.17Å; L62-Y88 HydrophobicContact CD1-CE1 4.24Å; L74-Y88 HydrophobicContact CD1-CD2 4.26Å; L74-Y88 HydrophobicContact CD1-CE1 4.41Å; L74-Y88 HydrophobicContact CD1-CE2 4.09Å; L74-Y88 HydrophobicContact CD1-CG 4.49Å; L74-Y88 HydrophobicContact CD2-CD2 4.5Å; L74-Y88 HydrophobicContact CD2-CE2 3.85Å; E76-Y88 VanDerWaalsContact CD-OH 3.27Å; E76-Y88 PolarHBondContact OE1-OH 2.73Å; E76-Y88 WeakPolarHBondContact OE2-CE2 3.43Å; E76-Y88 VanDerWaalsContact OE2-CZ 3.3Å; E76-Y88 PolarHBondContact OE2-OH 2.84Å; N84-Y88 HydrophobicContact CB-CE1 3.84Å; N84-Y88 HydrophobicContact CB-CE2 4.23Å; N84-Y88 VanDerWaalsContact CB-CZ 3.48Å; N84-Y88 WeakPolarHBondContact CB-OH 3.37Å; F85-Y88 HydrophobicContact CD1-CD2 4.07Å; F85-Y88 AromaticContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CE1-CE2 4.25Å; F85-Y88 PolarHBondContact O-N 2.94Å; F85-Y88 VanDerWaalsContact O-N 3.15Å; Y88-V94 HydrophobicContact CD2-CG2 4.28Å; Y88-H116 PolarHBondContact O-CD2 3.47Å; Y88-H116 PolarHBondContact O-NE2 2.94Å; Y88-L117 HydrophobicContact CD2-CD1 4.37Å; Y88-V142 HydrophobicContact CE1-CG2 4.32Å; Y88-V142 VanDerWaalsContact OH-CG1 3.27Å; Y88-V142 WeakPolarHBondContact OH-CG1 3.4Å
89P95.8Very high96.1Very high39 Ų3930.1 Ų30.125%0.25316%0.157SC..PPolyproline II helixtrans-61.2158.7179.5-5.713.1000112.1L62 L72 C92 L117L62-P89 HydrophobicContact CB-CG 4.5Å; L62-P89 VanDerWaalsContact CD2-CD 3.41Å; L62-P89 HydrophobicContact CD2-CG 3.66Å; L72-P89 HydrophobicContact CD2-CG 4.04Å; P89-C92 VanDerWaalsContact CB-SG 3.57Å; P89-C92 WeakPolarHBondContact CD-SG 3.38Å; P89-C92 WeakPolarHBondContact CG-SG 3.24Å; P89-C92 PolarHBondContact O-SG 3.41Å; P89-L117 WeakPolarHBondContact O-CD2 3.12Å
90Y94.7Very high96Very high202 Ų20230 Ų3079%0.79216%0.157SC*.THydrogen-bonded Turntrans-63.1139.7174.1-166.7-80.8000111.2C92 H116Y90-C92 VanDerWaalsContact C-N 3.31Å; Y90-C92 PolarHBondContact O-N 3.19Å; Y90-H116 HydrophobicContact CD2-CB 3.4Å; Y90-H116 HydrophobicContact CE2-CB 3.73Å; Y90-H116 HydrophobicContact CG-CB 4.17Å
91G92Very high96Very high37 Ų3732.5 Ų32.538%0.38117%0.17SC..THydrogen-bonded Turntrans79.37.6174.600000115H116G91-H116 PolarHBondContact N-O 3.49Å
92C95.6Very high96.1Very high2 Ų235.6 Ų35.61%0.01418%0.184CC..  trans-72.7138.4176.6-58.50000111L72 P89 Y90 L117 T118L72-C92 VanDerWaalsContact CD2-SG 3.55Å; L72-C92 CarbonylContact O-C 3.58Å; L72-C92 WeakPolarHBondContact O-CA 3.3Å; P89-C92 VanDerWaalsContact CB-SG 3.57Å; P89-C92 WeakPolarHBondContact CD-SG 3.38Å; P89-C92 WeakPolarHBondContact CG-SG 3.24Å; P89-C92 PolarHBondContact O-SG 3.41Å; Y90-C92 VanDerWaalsContact C-N 3.31Å; Y90-C92 PolarHBondContact O-N 3.19Å; C92-L117 HydrophobicContact CB-CD2 4.11Å; C92-T118 PolarHBondContact O-N 3.03Å
93T98Very high96Very high28 Ų2836.1 Ų36.117%0.17219%0.186CC..EExtended strand (participates in β ladder)trans-91.8127.1171-61.20000109.1L72 R73 L74 T118 D120L72-T93 PolarHBondContact O-N 2.81Å; R73-T93 WeakPolarHBondContact CA-O 3.41Å; L74-T93 PolarHBondContact N-O 3.11Å; T93-T118 CarbonylContact C-O 3.26Å; T93-T118 WeakPolarHBondContact CA-O 3.3Å; T93-T118 HydrophobicContact CG2-CG2 4.45Å; T93-D120 HydrophobicContact CG2-CB 3.74Å
94V98.1Very high95.9Very high0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-117.8120.6-175-173.60000110.4L74 E76 F85 Y88 L117 T118 D120L74-V94 HydrophobicContact CD2-CG1 4.07Å; L74-V94 WeakPolarHBondContact O-CA 3.15Å; E76-V94 HydrophobicContact CB-CG1 4.35Å; F85-V94 HydrophobicContact CE1-CG1 3.96Å; F85-V94 HydrophobicContact CZ-CG1 4.35Å; Y88-V94 HydrophobicContact CD2-CG2 4.28Å; V94-L117 HydrophobicContact CG2-CD1 4.21Å; V94-T118 PolarHBondContact N-O 2.74Å; V94-D120 PolarHBondContact O-N 3.39Å
95I98.1Very high95.8Very high8 Ų842.2 Ų42.24%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-96.2138.2164.9-56.8165.2000107.1L74 L75 E76 D120 E121 L123 V138L74-I95 PolarHBondContact O-N 2.7Å; L75-I95 CarbonylContact C-O 3.32Å; L75-I95 WeakPolarHBondContact CA-O 3.39Å; L75-I95 HydrophobicContact CD1-CB 3.85Å; L75-I95 HydrophobicContact CD1-CG2 3.58Å; E76-I95 PolarHBondContact N-O 2.81Å; I95-D120 HydrophobicContact CG1-CB 3.86Å; I95-E121 HydrophobicContact CG2-CG 3.96Å; I95-L123 HydrophobicContact CG2-CD1 4.32Å; I95-V138 HydrophobicContact CD1-CG1 4.21Å
96C98.1Very high95.6Very high0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans-119.9142.1-178.3-66.30000111.4C79 L107 E121 M122 L123C79-C96 HydrophobicContact CB-CB 3.76Å; C96-L107 HydrophobicContact CB-CD2 3.84Å; C96-E121 PolarHBondContact N-O 3.36Å; C96-M122 HydrophobicContact CB-CB 4.24Å; C96-M122 HydrophobicContact CB-CG 4.47Å; C96-M122 CarbonylContact O-C 3.56Å; C96-M122 WeakPolarHBondContact O-CA 3.25Å; C96-L123 PolarHBondContact O-N 3.1Å
97T97.9Very high95.5Very high1 Ų137.3 Ų37.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-126.4137.9167.672.10000111.1L75 E76 G78 C79 L123 M130L75-T97 HydrophobicContact CD1-CG2 3.77Å; E76-T97 PolarHBondContact O-N 2.77Å; G78-T97 CarbonylContact C-O 3.59Å; G78-T97 VanDerWaalsContact CA-O 3.24Å; G78-T97 WeakPolarHBondContact CA-O 3.08Å; G78-T97 PolarHBondContact N-O 3.34Å; C79-T97 PolarHBondContact N-O 3.13Å; T97-L123 WeakPolarHBondContact CA-O 3.18Å; T97-L123 HydrophobicContact CG2-CB 4.24Å; T97-L123 HydrophobicContact CG2-CD1 4.49Å; T97-M130 HydrophobicContact CG2-SD 4.18Å
98D96.9Very high95.4Very high13 Ų1341.8 Ų41.87%0.0722%0.216CC..  trans-154.1134.6169.5-163.8-68000109.6G80 N100 M122 L123 V124 L125G80-D98 WeakPolarHBondContact CA-OD2 3.39Å; G80-D98 PolarHBondContact N-OD2 3.47Å; D98-N100 PolarHBondContact O-N 3.39Å; D98-N100 WeakPolarHBondContact OD1-CA 3.27Å; D98-N100 VanDerWaalsContact OD1-CB 3.29Å; D98-N100 WeakPolarHBondContact OD1-CB 3.41Å; D98-N100 PolarHBondContact OD1-N 3.14Å; D98-M122 HydrophobicContact CB-CE 3.89Å; D98-L123 PolarHBondContact N-O 3.12Å; D98-V124 WeakPolarHBondContact O-CA 3.47Å; D98-L125 CarbonylContact C-O 3.54Å; D98-L125 VanDerWaalsContact C-O 3.26Å; D98-L125 PolarHBondContact O-N 3.23Å
99P95.3Very high95.2Very high75 Ų7545.9 Ų45.949%0.48724%0.236SC..SBendtrans-70.2-13.1179.729-36.6000113.1P101 L125P99-P101 WeakPolarHBondContact O-CD 3.43Å; P99-L125 WeakPolarHBondContact CD-O 3.37Å; P99-L125 VanDerWaalsContact N-O 3.14Å
100N94.6Very high95.1Very high3 Ų345 Ų452%0.01623%0.231CC..  trans-99.5106179.2-169.7-10.6000111.3K33 P37 D98 H102 M103K33-N100 PolarHBondContact O-ND2 3.26Å; K33-N100 PolarHBondContact O-OD1 3Å; P37-N100 WeakPolarHBondContact CG-ND2 3.39Å; D98-N100 PolarHBondContact O-N 3.39Å; D98-N100 WeakPolarHBondContact OD1-CA 3.27Å; D98-N100 VanDerWaalsContact OD1-CB 3.29Å; D98-N100 WeakPolarHBondContact OD1-CB 3.41Å; D98-N100 PolarHBondContact OD1-N 3.14Å; N100-H102 PolarHBondContact O-N 2.88Å; N100-H102 WeakPolarHBondContact OD1-CB 3.24Å; N100-H102 PolarHBondContact OD1-CD2 3.5Å; N100-H102 PolarHBondContact OD1-N 3.43Å; N100-H102 VanDerWaalsContact OD1-N 3.11Å; N100-M103 HydrophobicContact CB-CG 4.15Å; N100-M103 WeakPolarHBondContact O-CB 3.47Å; N100-M103 PolarHBondContact O-N 3.28Å; N100-M103 VanDerWaalsContact O-N 3.13Å
101P93.6Very high95.1Very high62 Ų6236.2 Ų36.240%0.40320%0.197SC..G310 helixtrans-63.5-18.1-178.527-35.4000113.2P99 M103 V124P99-P101 WeakPolarHBondContact O-CD 3.43Å; P101-M103 PolarHBondContact O-N 3.15Å; P101-V124 HydrophobicContact CB-CG1 3.98Å; P101-V124 HydrophobicContact CB-CG2 4.05Å; P101-V124 HydrophobicContact CG-CG1 4.37Å
102H94.9Very high95.2Very high73 Ų7340.5 Ų40.534%0.33821%0.208SC..G310 helixtrans-79.2-0.7-179.5-58.5-56.6000113.7R34 P37 N100R34-H102 VanDerWaalsContact CG-NE2 3.29Å; R34-H102 WeakPolarHBondContact CG-NE2 3.47Å; P37-H102 HydrophobicContact CG-CB 3.84Å; N100-H102 PolarHBondContact O-N 2.88Å; N100-H102 WeakPolarHBondContact OD1-CB 3.24Å; N100-H102 PolarHBondContact OD1-CD2 3.5Å; N100-H102 PolarHBondContact OD1-N 3.43Å; N100-H102 VanDerWaalsContact OD1-N 3.11Å
103M93.8Very high95.2Very high12 Ų1244.3 Ų44.36%0.05924%0.239CC..G310 helixtrans-76.9-24.8172.4-72.8-64.7-155.300113.1F36 P37 A40 N100 P101 P105 Y106 L107 M122F36-M103 HydrophobicContact CD1-CE 4.26Å; F36-M103 HydrophobicContact CE1-CE 4.05Å; P37-M103 HydrophobicContact CB-CG 4.49Å; P37-M103 HydrophobicContact CB-SD 3.61Å; P37-M103 HydrophobicContact CG-CG 4.3Å; P37-M103 HydrophobicContact CG-SD 3.9Å; A40-M103 HydrophobicContact CB-CE 4.33Å; N100-M103 HydrophobicContact CB-CG 4.15Å; N100-M103 WeakPolarHBondContact O-CB 3.47Å; N100-M103 PolarHBondContact O-N 3.28Å; N100-M103 VanDerWaalsContact O-N 3.13Å; P101-M103 PolarHBondContact O-N 3.15Å; M103-P105 VanDerWaalsContact C-CD 3.49Å; M103-Y106 PolarHBondContact O-N 3.33Å; M103-L107 PolarHBondContact O-N 3.35Å; M103-M122 HydrophobicContact CB-CE 3.97Å
104E93Very high95.1Very high72 Ų7243.8 Ų43.834%0.33624%0.235SC..Hα-helixtrans-52.4-44.3-172.4-170.9-170.2167.900114.5Y106 L107 R108 M122E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 2.9Å; E104-L107 WeakPolarHBondContact O-CB 3.18Å; E104-L107 PolarHBondContact O-N 3.4Å; E104-R108 HydrophobicContact CG-CG 4.46Å; E104-R108 WeakPolarHBondContact O-CG 3.3Å; E104-R108 PolarHBondContact O-N 2.93Å; E104-R108 IonicContact OE1-CZ 2.78Å; E104-R108 IonicContact OE1-NE 2.64Å; E104-R108 PolarHBondContact OE1-NE 2.76Å; E104-R108 IonicContact OE1-NH2 3.78Å; E104-R108 PolarHBondContact OE1-NH2 2.91Å; E104-M122 HydrophobicContact CB-CE 4.36Å; E104-M122 HydrophobicContact CB-SD 3.64Å; E104-M122 HydrophobicContact CG-SD 3.83Å
105P93.8Very high95Very high77 Ų7751.4 Ų51.450%0.527%0.268SS..Hα-helixtrans-60.2-40178.9-24.135.7000113M103 R108 M109M103-P105 VanDerWaalsContact C-CD 3.49Å; P105-R108 PolarHBondContact O-N 3.48Å; P105-M109 WeakPolarHBondContact O-CG 3.48Å; P105-M109 PolarHBondContact O-N 3.26Å; P105-M109 VanDerWaalsContact O-N 3.14Å
106Y94.1Very high94.9Very high45 Ų4553 Ų5318%0.17628%0.276CS..Hα-helixtrans-72.3-37.3179.2-56.9-80.8000111.6P37 F38 Y41 M103 E104 R108 M109 S110P37-Y106 HydrophobicContact CB-CD2 3.87Å; P37-Y106 HydrophobicContact CB-CE2 3.52Å; F38-Y106 WeakPolarHBondContact CA-OH 3.04Å; F38-Y106 WeakPolarHBondContact CB-OH 3.45Å; Y41-Y106 AromaticContact CD1-CD1 3.46Å; Y41-Y106 HydrophobicContact CD1-CD1 3.46Å; Y41-Y106 VanDerWaalsContact CD1-CD1 3.46Å; Y41-Y106 AromaticContact CD1-CE1 3.72Å; Y41-Y106 HydrophobicContact CD1-CE1 3.72Å; Y41-Y106 AromaticContact CD2-CD1 3.78Å; Y41-Y106 HydrophobicContact CD2-CD1 3.78Å; Y41-Y106 HydrophobicContact CD2-CG 4.24Å; Y41-Y106 AromaticContact CE1-CD1 3.94Å; Y41-Y106 HydrophobicContact CE1-CD1 3.94Å; Y41-Y106 HydrophobicContact CE1-CE1 4.38Å; Y41-Y106 HydrophobicContact CE2-CD1 4.22Å; Y41-Y106 AromaticContact CG-CD1 3.34Å; Y41-Y106 HydrophobicContact CG-CD1 3.34Å; Y41-Y106 AromaticContact CG-CE1 3.89Å; Y41-Y106 HydrophobicContact CG-CE1 3.89Å; Y41-Y106 HydrophobicContact CG-CG 4.11Å; M103-Y106 PolarHBondContact O-N 3.33Å; E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 2.9Å; Y106-R108 VanDerWaalsContact C-N 3.34Å; Y106-M109 PolarHBondContact O-N 2.65Å; Y106-S110 PolarHBondContact O-N 2.78Å
107L93.9Very high94.9Very high0 Ų053.8 Ų53.80%028%0.28CS..Hα-helixtrans-60-45.3173.2-168.370.4000111.1C79 F85 C96 M103 E104 M109 S110 M111 Y119 M122C79-L107 HydrophobicContact CB-CD1 4.02Å; F85-L107 HydrophobicContact CE2-CD1 3.47Å; F85-L107 VanDerWaalsContact CE2-CD1 3.47Å; F85-L107 HydrophobicContact CE2-CG 4.23Å; F85-L107 HydrophobicContact CZ-CD1 3.48Å; F85-L107 VanDerWaalsContact CZ-CD1 3.48Å; F85-L107 HydrophobicContact CZ-CG 4.44Å; C96-L107 HydrophobicContact CB-CD2 3.84Å; M103-L107 PolarHBondContact O-N 3.35Å; E104-L107 WeakPolarHBondContact O-CB 3.18Å; E104-L107 PolarHBondContact O-N 3.4Å; L107-M109 PolarHBondContact O-N 2.78Å; L107-S110 WeakPolarHBondContact O-CB 3.47Å; L107-S110 PolarHBondContact O-N 2.9Å; L107-S110 VanDerWaalsContact O-N 3.12Å; L107-M111 PolarHBondContact O-N 3.49Å; L107-Y119 HydrophobicContact CD2-CE2 3.99Å; L107-M122 HydrophobicContact CD2-CB 4.04Å; L107-M122 HydrophobicContact CD2-CE 4.41Å; L107-M122 HydrophobicContact CD2-CG 4.09Å; L107-M122 HydrophobicContact CD2-SD 3.45Å; L107-M122 WeakPolarHBondContact CD2-SD 3.2Å
108R93.1Very high94.8Very high120 Ų12057.4 Ų57.445%0.45330%0.302SS..Hα-helixtrans-60.6-43.4176.8-72.7-177.8-179.3-75-0.7112.1E104 P105 Y106 S110 M111 E112E104-R108 HydrophobicContact CG-CG 4.46Å; E104-R108 WeakPolarHBondContact O-CG 3.3Å; E104-R108 PolarHBondContact O-N 2.93Å; E104-R108 IonicContact OE1-CZ 2.78Å; E104-R108 IonicContact OE1-NE 2.64Å; E104-R108 PolarHBondContact OE1-NE 2.76Å; E104-R108 IonicContact OE1-NH2 3.78Å; E104-R108 PolarHBondContact OE1-NH2 2.91Å; P105-R108 PolarHBondContact O-N 3.48Å; Y106-R108 VanDerWaalsContact C-N 3.34Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 2.93Å; R108-M111 PolarHBondContact O-N 2.95Å; R108-E112 WeakPolarHBondContact O-CG 3.33Å; R108-E112 PolarHBondContact O-N 2.91Å
109M93.9Very high94.7Very high95 Ų9559.7 Ų59.747%0.46831%0.31SS..Hα-helixtrans-58.6-41.4173.5-67.61737100112Y41 P105 Y106 L107 E112 A113Y41-M109 HydrophobicContact CE1-CE 4.45Å; P105-M109 WeakPolarHBondContact O-CG 3.48Å; P105-M109 PolarHBondContact O-N 3.26Å; P105-M109 VanDerWaalsContact O-N 3.14Å; Y106-M109 PolarHBondContact O-N 2.65Å; L107-M109 PolarHBondContact O-N 2.78Å; M109-E112 PolarHBondContact O-N 3.03Å; M109-A113 PolarHBondContact O-N 2.89Å
110S94.3Very high94.7Very high19 Ų1959.4 Ų59.413%0.13330%0.304CS..Hα-helixtrans-66.3-43.5175.6-170.80000111.8S81 G82 F85 Y106 L107 R108 E112 A113 N114S81-S110 WeakPolarHBondContact O-CB 3.45Å; G82-S110 PolarHBondContact O-OG 3.49Å; F85-S110 WeakPolarHBondContact CD2-OG 3.35Å; Y106-S110 PolarHBondContact O-N 2.78Å; L107-S110 WeakPolarHBondContact O-CB 3.47Å; L107-S110 PolarHBondContact O-N 2.9Å; L107-S110 VanDerWaalsContact O-N 3.12Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 2.93Å; S110-E112 VanDerWaalsContact C-N 3.28Å; S110-E112 PolarHBondContact O-N 3Å; S110-A113 PolarHBondContact O-N 2.72Å; S110-A113 VanDerWaalsContact O-N 3.1Å; S110-N114 PolarHBondContact O-N 3Å; S110-N114 VanDerWaalsContact O-N 3.13Å; S110-N114 PolarHBondContact O-ND2 3.29Å; S110-N114 PolarHBondContact OG-ND2 3.38Å
111M93.9Very high94.7Very high19 Ų1963.4 Ų63.49%0.09432%0.323CS..Hα-helixtrans-61.8-36.4175.6-69.9-51.1-82.600112.3F85 L107 R108 A113 N114 L117 Y119F85-M111 HydrophobicContact CD2-CG 4.23Å; F85-M111 HydrophobicContact CD2-SD 3.24Å; F85-M111 WeakPolarHBondContact CD2-SD 3.46Å; F85-M111 HydrophobicContact CE2-CG 3.85Å; F85-M111 HydrophobicContact CE2-SD 3.16Å; F85-M111 WeakPolarHBondContact CE2-SD 3.42Å; F85-M111 HydrophobicContact CG-SD 4.09Å; F85-M111 HydrophobicContact CZ-SD 3.96Å; L107-M111 PolarHBondContact O-N 3.49Å; R108-M111 PolarHBondContact O-N 2.95Å; M111-A113 VanDerWaalsContact C-N 3.28Å; M111-A113 PolarHBondContact O-N 3.05Å; M111-N114 CarbonylContact O-C 3.58Å; M111-N114 PolarHBondContact O-N 3.18Å; M111-N114 VanDerWaalsContact O-N 3.12Å; M111-L117 HydrophobicContact CE-CB 3.86Å; M111-L117 HydrophobicContact CE-CD1 4.39Å; M111-L117 HydrophobicContact SD-CD1 4.46Å; M111-Y119 HydrophobicContact CE-CD2 3.74Å; M111-Y119 HydrophobicContact CE-CG 3.95Å; M111-Y119 HydrophobicContact CG-CD2 3.78Å; M111-Y119 HydrophobicContact CG-CE2 4.28Å; M111-Y119 HydrophobicContact CG-CG 4.1Å; M111-Y119 HydrophobicContact SD-CD2 4.18Å
112E94.9Very high94.8Very high127 Ų12761.8 Ų61.859%0.59331%0.31SS*.Hα-helixtrans-62.3-35.2174.1-75.6175.3-173.300113.1R108 M109 S110 N114 K115R108-E112 WeakPolarHBondContact O-CG 3.33Å; R108-E112 PolarHBondContact O-N 2.91Å; M109-E112 PolarHBondContact O-N 3.03Å; S110-E112 VanDerWaalsContact C-N 3.28Å; S110-E112 PolarHBondContact O-N 3Å; E112-N114 VanDerWaalsContact C-N 3.32Å; E112-K115 WeakPolarHBondContact O-CD 3.49Å; E112-K115 WeakPolarHBondContact O-CE 3.24Å
113A95.2Very high94.9Very high81 Ų8159.1 Ų59.167%0.66930%0.298SS*.Hα-helixtrans-77.4-15.5175.600000113.7M109 S110 M111M109-A113 PolarHBondContact O-N 2.89Å; S110-A113 PolarHBondContact O-N 2.72Å; S110-A113 VanDerWaalsContact O-N 3.1Å; M111-A113 VanDerWaalsContact C-N 3.28Å; M111-A113 PolarHBondContact O-N 3.05Å
114N96.3Very high95.1Very high18 Ų1862.2 Ų62.210%0.09632%0.318CS..  trans-11959.6-173.3-67.4-75.2000111.4F85 R86 S110 M111 E112 H116 L117F85-N114 HydrophobicContact CB-CB 4.14Å; R86-N114 WeakPolarHBondContact CA-OD1 3.2Å; R86-N114 WeakPolarHBondContact CB-OD1 3.5Å; R86-N114 PolarHBondContact N-OD1 2.76Å; S110-N114 PolarHBondContact O-N 3Å; S110-N114 VanDerWaalsContact O-N 3.13Å; S110-N114 PolarHBondContact O-ND2 3.29Å; S110-N114 PolarHBondContact OG-ND2 3.38Å; M111-N114 CarbonylContact O-C 3.58Å; M111-N114 PolarHBondContact O-N 3.18Å; M111-N114 VanDerWaalsContact O-N 3.12Å; E112-N114 VanDerWaalsContact C-N 3.32Å; N114-H116 PolarHBondContact O-N 2.84Å; N114-H116 PolarHBondContact OD1-CE1 3.47Å; N114-L117 HydrophobicContact CB-CD1 4.2Å; N114-L117 HydrophobicContact CB-CG 4.47Å; N114-L117 PolarHBondContact O-N 3.49Å; N114-L117 VanDerWaalsContact O-N 3.08Å
115K95.9Very high95.2Very high159 Ų15959.7 Ų59.769%0.69131%0.306SS*.THydrogen-bonded Turntrans-62.8-9.2-176.7-60.7-56.3-168.3-170.70115.2E112 L117E112-K115 WeakPolarHBondContact O-CD 3.49Å; E112-K115 WeakPolarHBondContact O-CE 3.24Å; K115-L117 PolarHBondContact O-N 3.37Å
116H96.1Very high95.4Very high43 Ų4358.1 Ų58.120%0.19930%0.297CS..THydrogen-bonded Turntrans-76.6-8.3173.662.8-74.4000113.3F85 Y88 Y90 G91 N114F85-H116 PolarHBondContact O-NE2 3.48Å; Y88-H116 PolarHBondContact O-CD2 3.47Å; Y88-H116 PolarHBondContact O-NE2 2.94Å; Y90-H116 HydrophobicContact CD2-CB 3.4Å; Y90-H116 HydrophobicContact CE2-CB 3.73Å; Y90-H116 HydrophobicContact CG-CB 4.17Å; G91-H116 PolarHBondContact N-O 3.49Å; N114-H116 PolarHBondContact O-N 2.84Å; N114-H116 PolarHBondContact OD1-CE1 3.47Å
117L96.9Very high95.5Very high16 Ų1656.2 Ų56.28%0.08429%0.292CS..SBendtrans-104.9149.8178.2-54.9-179.6000111.4F85 Y88 P89 C92 V94 M111 N114 K115F85-L117 HydrophobicContact CB-CD1 3.57Å; F85-L117 HydrophobicContact CD1-CD1 4.37Å; F85-L117 HydrophobicContact CG-CD1 3.98Å; Y88-L117 HydrophobicContact CD2-CD1 4.37Å; P89-L117 WeakPolarHBondContact O-CD2 3.12Å; C92-L117 HydrophobicContact CB-CD2 4.11Å; V94-L117 HydrophobicContact CG2-CD1 4.21Å; M111-L117 HydrophobicContact CE-CB 3.86Å; M111-L117 HydrophobicContact CE-CD1 4.39Å; M111-L117 HydrophobicContact SD-CD1 4.46Å; N114-L117 HydrophobicContact CB-CD1 4.2Å; N114-L117 HydrophobicContact CB-CG 4.47Å; N114-L117 PolarHBondContact O-N 3.49Å; N114-L117 VanDerWaalsContact O-N 3.08Å; K115-L117 PolarHBondContact O-N 3.37Å
118T96.6Very high95.7Very high77 Ų7758 Ų5847%0.47230%0.3SS..EExtended strand (participates in β ladder)trans-96119.1165.5-62.60000108.4C92 T93 V94C92-T118 PolarHBondContact O-N 3.03Å; T93-T118 CarbonylContact C-O 3.26Å; T93-T118 WeakPolarHBondContact CA-O 3.3Å; T93-T118 HydrophobicContact CG2-CG2 4.45Å; V94-T118 PolarHBondContact N-O 2.74Å
119Y95.1Very high95.9Very high60 Ų6055.6 Ų55.624%0.23530%0.296CS..EExtended strand (participates in β ladder)trans-80.8122.1171.4-172.2-124000109.6L107 M111 M122L107-Y119 HydrophobicContact CD2-CE2 3.99Å; M111-Y119 HydrophobicContact CE-CD2 3.74Å; M111-Y119 HydrophobicContact CE-CG 3.95Å; M111-Y119 HydrophobicContact CG-CD2 3.78Å; M111-Y119 HydrophobicContact CG-CE2 4.28Å; M111-Y119 HydrophobicContact CG-CG 4.1Å; M111-Y119 HydrophobicContact SD-CD2 4.18Å; Y119-M122 WeakPolarHBondContact OH-CB 3.16Å; Y119-M122 PolarHBondContact OH-N 2.71Å
120D95.4Very high96Very high69 Ų6951.1 Ų51.137%0.36927%0.274SS..EExtended strand (participates in β ladder)trans-87.5-73.6175.7-154.4-8.9000109R73 T93 V94 I95R73-D120 IonicContact CZ-OD2 2.69Å; R73-D120 IonicContact NH1-OD2 3.6Å; R73-D120 IonicContact NH2-OD2 3.08Å; R73-D120 PolarHBondContact NH2-OD2 2.95Å; T93-D120 HydrophobicContact CG2-CB 3.74Å; V94-D120 PolarHBondContact O-N 3.39Å; I95-D120 HydrophobicContact CG1-CB 3.86Å
121E95Very high96.1Very high87 Ų8759 Ų5941%0.40730%0.301SS..EExtended strand (participates in β ladder)trans-155.5165.8-178.764.8-175.2143.200112.6I95 C96 L123I95-E121 HydrophobicContact CG2-CG 3.96Å; C96-E121 PolarHBondContact N-O 3.36Å; E121-L123 HydrophobicContact CG-CD2 4.34Å; E121-L123 HydrophobicContact CG-CG 4.23Å; E121-L123 WeakPolarHBondContact OE2-CD2 3.48Å
122M94.9Very high96.3Very high29 Ų2963.6 Ų63.614%0.14332%0.322CS..EExtended strand (participates in β ladder)trans-120.2122.7165.9170177.4-167.900109.5C96 D98 M103 E104 L107 Y119C96-M122 HydrophobicContact CB-CB 4.24Å; C96-M122 HydrophobicContact CB-CG 4.47Å; C96-M122 CarbonylContact O-C 3.56Å; C96-M122 WeakPolarHBondContact O-CA 3.25Å; D98-M122 HydrophobicContact CB-CE 3.89Å; M103-M122 HydrophobicContact CB-CE 3.97Å; E104-M122 HydrophobicContact CB-CE 4.36Å; E104-M122 HydrophobicContact CB-SD 3.64Å; E104-M122 HydrophobicContact CG-SD 3.83Å; L107-M122 HydrophobicContact CD2-CB 4.04Å; L107-M122 HydrophobicContact CD2-CE 4.41Å; L107-M122 HydrophobicContact CD2-CG 4.09Å; L107-M122 HydrophobicContact CD2-SD 3.45Å; L107-M122 WeakPolarHBondContact CD2-SD 3.2Å; Y119-M122 WeakPolarHBondContact OH-CB 3.16Å; Y119-M122 PolarHBondContact OH-N 2.71Å
123L96.9Very high96.4Very high17 Ų1757.9 Ų57.99%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-102.2130.5177.6-56.6170.3000109.4I95 C96 T97 D98 E121 L125 V133I95-L123 HydrophobicContact CG2-CD1 4.32Å; C96-L123 PolarHBondContact O-N 3.1Å; T97-L123 WeakPolarHBondContact CA-O 3.18Å; T97-L123 HydrophobicContact CG2-CB 4.24Å; T97-L123 HydrophobicContact CG2-CD1 4.49Å; D98-L123 PolarHBondContact N-O 3.12Å; E121-L123 HydrophobicContact CG-CD2 4.34Å; E121-L123 HydrophobicContact CG-CG 4.23Å; E121-L123 WeakPolarHBondContact OE2-CD2 3.48Å; L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 HydrophobicContact CB-CD1 3.59Å; L123-L125 HydrophobicContact CB-CG 3.84Å; L123-L125 HydrophobicContact CD1-CD1 3.88Å; L123-L125 HydrophobicContact CG-CD1 4.3Å; L123-L125 PolarHBondContact O-N 2.99Å; L123-V133 HydrophobicContact CD1-CG2 3.57Å
124V97Very high96.6Very high77 Ų7761.1 Ų61.147%0.46730%0.297SS..  trans-85.276.2178.1-172.90000109.1D98 P101D98-V124 WeakPolarHBondContact O-CA 3.47Å; P101-V124 HydrophobicContact CB-CG1 3.98Å; P101-V124 HydrophobicContact CB-CG2 4.05Å; P101-V124 HydrophobicContact CG-CG1 4.37Å
125L96.6Very high96.7Very high18 Ų1865.2 Ų65.29%0.09432%0.319CS..  trans-128.8149.2-172.4-61.1173.6000111.5D98 P99 L123 E132D98-L125 CarbonylContact C-O 3.54Å; D98-L125 VanDerWaalsContact C-O 3.26Å; D98-L125 PolarHBondContact O-N 3.23Å; P99-L125 WeakPolarHBondContact CD-O 3.37Å; P99-L125 VanDerWaalsContact N-O 3.14Å; L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 HydrophobicContact CB-CD1 3.59Å; L123-L125 HydrophobicContact CB-CG 3.84Å; L123-L125 HydrophobicContact CD1-CD1 3.88Å; L123-L125 HydrophobicContact CG-CD1 4.3Å; L123-L125 PolarHBondContact O-N 2.99Å; L125-E132 HydrophobicContact CD1-CB 3.94Å; L125-E132 HydrophobicContact CD1-CG 4.37Å; L125-E132 HydrophobicContact CD2-CG 4.47Å
126S96.6Very high96.8Very high44 Ų4462.1 Ų62.131%0.30831%0.307SS..  trans-78.514816758.40000110.4E128 D129 M130S126-E128 WeakPolarHBondContact CB-OE2 3.49Å; S126-E128 PolarHBondContact O-N 3.28Å; S126-E128 VanDerWaalsContact O-N 3.12Å; S126-D129 CarbonylContact O-C 3.57Å; S126-D129 VanDerWaalsContact O-C 3.32Å; S126-D129 PolarHBondContact O-N 2.91Å; S126-D129 VanDerWaalsContact O-N 3.08Å; S126-M130 WeakPolarHBondContact O-CG 3.23Å
127G96.3Very high96.9Very high6 Ų661.6 Ų61.66%0.06231%0.308CS..THydrogen-bonded Turntrans-60.5-22.8174.900000113.4D129 V156G127-D129 VanDerWaalsContact C-N 3.35Å; G127-V156 WeakPolarHBondContact O-CA 3.41Å
128E98Very high97Very high36 Ų3660.9 Ų60.917%0.16831%0.305CS..THydrogen-bonded Turntrans-78.8-12.8177.9-59.695.2141.400114.7S126 V150 N151 N152 R155 V156S126-E128 WeakPolarHBondContact CB-OE2 3.49Å; S126-E128 PolarHBondContact O-N 3.28Å; S126-E128 VanDerWaalsContact O-N 3.12Å; E128-V150 WeakPolarHBondContact OE1-CB 3.35Å; E128-N151 PolarHBondContact OE1-N 2.97Å; E128-N152 HydrophobicContact CG-CB 4.26Å; E128-N152 PolarHBondContact OE1-N 3.14Å; E128-R155 HydrophobicContact CB-CB 4.26Å; E128-R155 HydrophobicContact CG-CB 4.4Å; E128-V156 HydrophobicContact CG-CG2 3.91Å
129D97.7Very high97.1Very high71 Ų7157.5 Ų57.538%0.3828%0.284SS..  trans-148.894.4179.5-176-2.6000109.2S126 G127 R131S126-D129 CarbonylContact O-C 3.57Å; S126-D129 VanDerWaalsContact O-C 3.32Å; S126-D129 PolarHBondContact O-N 2.91Å; S126-D129 VanDerWaalsContact O-N 3.08Å; G127-D129 VanDerWaalsContact C-N 3.35Å; D129-R131 WeakPolarHBondContact OD1-CB 3.19Å; D129-R131 WeakPolarHBondContact OD1-CD 3.36Å; D129-R131 WeakPolarHBondContact OD1-CG 3.02Å; D129-R131 PolarHBondContact OD1-N 3.45Å
130M97.6Very high97.2Very high0 Ų054.7 Ų54.70%027%0.272CS..  trans-117.437.6179.6-62.5-173.3-68.100110.6L75 I77 T97 S126 E132 V133 E159 R162 I163L75-M130 HydrophobicContact CD2-CE 4.35Å; L75-M130 HydrophobicContact CD2-SD 4.07Å; I77-M130 HydrophobicContact CD1-CE 3.67Å; I77-M130 HydrophobicContact CD1-SD 4.18Å; I77-M130 HydrophobicContact CG1-CE 4.18Å; I77-M130 HydrophobicContact CG1-SD 4.03Å; I77-M130 HydrophobicContact CG2-SD 4.45Å; T97-M130 HydrophobicContact CG2-SD 4.18Å; S126-M130 WeakPolarHBondContact O-CG 3.23Å; M130-E132 PolarHBondContact O-N 3.06Å; M130-V133 HydrophobicContact CB-CG2 4.31Å; M130-V133 WeakPolarHBondContact O-CB 3.4Å; M130-V133 PolarHBondContact O-N 3.23Å; M130-E159 WeakPolarHBondContact CA-OE2 3.39Å; M130-E159 WeakPolarHBondContact CB-OE2 3.29Å; M130-E159 HydrophobicContact CE-CB 3.48Å; M130-E159 VanDerWaalsContact CE-CB 3.48Å; M130-E159 HydrophobicContact CE-CG 4.44Å; M130-E159 PolarHBondContact N-OE2 3.39Å; M130-R162 PolarHBondContact O-NH2 2.78Å; M130-I163 HydrophobicContact CB-CD1 3.89Å; M130-I163 HydrophobicContact CE-CD1 3.65Å; M130-I163 HydrophobicContact SD-CD1 4.33Å
131R95.9Very high97.4Very high186 Ų18651.4 Ų51.470%0.70226%0.255SS*.THydrogen-bonded Turntrans-57-19.3-178.469.3-171.9-176-179.6-0.9115.6D129 V133D129-R131 WeakPolarHBondContact OD1-CB 3.19Å; D129-R131 WeakPolarHBondContact OD1-CD 3.36Å; D129-R131 WeakPolarHBondContact OD1-CG 3.02Å; D129-R131 PolarHBondContact OD1-N 3.45Å; R131-V133 VanDerWaalsContact C-N 3.28Å
132E96.8Very high97.6Very high114 Ų11447.2 Ų47.253%0.53324%0.235SC..THydrogen-bonded Turntrans-80.7-13.1176.7-61.4175.5-149.300112L125 M130L125-E132 HydrophobicContact CD1-CB 3.94Å; L125-E132 HydrophobicContact CD1-CG 4.37Å; L125-E132 HydrophobicContact CD2-CG 4.47Å; M130-E132 PolarHBondContact O-N 3.06Å
133V97.9Very high97.7Very high7 Ų745.9 Ų45.94%0.04223%0.229CC..SBendtrans-93.8124.3171.7-170.80000108.9L75 L123 M130 R131 R162 I163L75-V133 HydrophobicContact CD1-CG2 4.39Å; L75-V133 HydrophobicContact CD2-CG1 4.44Å; L123-V133 HydrophobicContact CD1-CG2 3.57Å; M130-V133 HydrophobicContact CB-CG2 4.31Å; M130-V133 WeakPolarHBondContact O-CB 3.4Å; M130-V133 PolarHBondContact O-N 3.23Å; R131-V133 VanDerWaalsContact C-N 3.28Å; V133-R162 PolarHBondContact O-NH1 3Å; V133-R162 PolarHBondContact O-NH2 2.62Å; V133-I163 HydrophobicContact CB-CD1 3.83Å; V133-I163 HydrophobicContact CB-CG1 4.12Å; V133-I163 HydrophobicContact CG1-CB 4.41Å; V133-I163 HydrophobicContact CG1-CD1 3.92Å; V133-I163 HydrophobicContact CG1-CG1 3.94Å; V133-I163 HydrophobicContact CG1-CG2 3.58Å; V133-I163 HydrophobicContact CG2-CD1 4.48Å
134E98.3Very high97.7Very high150 Ų15045.8 Ų45.870%0.70123%0.229SC*.PPolyproline II helixtrans-64.2149.8-177.3-66-179.5169.400112.7S137E134-S137 WeakPolarHBondContact O-CB 3.28Å; E134-S137 PolarHBondContact O-OG 3.46Å
135D98.6Very high97.7Very high103 Ų10344.8 Ų44.855%0.55122%0.221SC*.THydrogen-bonded Turntrans-60.8143.2171.2-67.626.8000110.3S137 R162D135-S137 PolarHBondContact O-N 3.06Å; D135-R162 HydrophobicContact CB-CG 4.24Å; D135-R162 VanDerWaalsContact OD1-CD 3.24Å; D135-R162 WeakPolarHBondContact OD1-CD 3.33Å; D135-R162 VanDerWaalsContact OD1-CG 3.3Å; D135-R162 WeakPolarHBondContact OD1-CG 3.35Å; D135-R162 IonicContact OD1-CZ 3.62Å; D135-R162 IonicContact OD1-NE 3.63Å; D135-R162 IonicContact OD1-NH1 2.76Å; D135-R162 PolarHBondContact OD1-NH1 2.84Å; D135-R162 WeakPolarHBondContact OD2-CG 3.24Å
136E98.4Very high97.7Very high95 Ų9544.7 Ų44.744%0.44422%0.221SC..THydrogen-bonded Turntrans52.328.5174.3-51.8-158.1158.200115.4R162 I163 R165 N166 K244E136-R162 PolarHBondContact N-O 3.46Å; E136-I163 CarbonylContact C-O 3.52Å; E136-I163 VanDerWaalsContact CA-O 3.25Å; E136-I163 WeakPolarHBondContact CA-O 3.47Å; E136-I163 PolarHBondContact N-O 3.36Å; E136-R165 HydrophobicContact CB-CB 4.44Å; E136-N166 PolarHBondContact OE1-ND2 3.44Å; E136-N166 PolarHBondContact OE2-ND2 3.48Å; E136-N166 VanDerWaalsContact OE2-ND2 3.16Å; E136-K244 IonicContact OE1-NZ 3.63Å; E136-K244 PolarHBondContact OE1-NZ 3Å; E136-K244 VanDerWaalsContact OE1-NZ 3.08Å
137S98.1Very high97.8Very high32 Ų3242.6 Ų42.622%0.22421%0.206CC..  trans-96.8-11.8-169.563.70000115.1E134 D135 I163E134-S137 WeakPolarHBondContact O-CB 3.28Å; E134-S137 PolarHBondContact O-OG 3.46Å; D135-S137 PolarHBondContact O-N 3.06Å; S137-I163 PolarHBondContact N-O 3.5Å
138V98.5Very high97.8Very high1 Ų142.4 Ų42.41%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-128.2151.1-179.2-48.70000112.5L75 I95 V141 I163 L164 R165L75-V138 HydrophobicContact CB-CG1 4.29Å; L75-V138 HydrophobicContact CB-CG2 4.26Å; I95-V138 HydrophobicContact CD1-CG1 4.21Å; V138-V141 HydrophobicContact CG2-CG2 3.8Å; V138-I163 HydrophobicContact CB-CG2 4.43Å; V138-I163 HydrophobicContact CG1-CG2 4.08Å; V138-I163 HydrophobicContact CG2-CG2 3.61Å; V138-I163 PolarHBondContact N-O 2.88Å; V138-L164 HydrophobicContact CG2-CD2 4.17Å; V138-R165 PolarHBondContact O-N 3.2Å
139D98.6Very high97.6Very high6 Ų642.6 Ų42.63%0.03221%0.209CC..EExtended strand (participates in β ladder)trans-80.7-37.1178-55.4-63.7000111.6N67 L72 R73 R165 G168 A169N67-D139 PolarHBondContact ND2-OD1 3.48Å; N67-D139 PolarHBondContact ND2-OD2 2.88Å; N67-D139 PolarHBondContact OD1-OD1 2.8Å; L72-D139 WeakPolarHBondContact CA-OD2 3.43Å; L72-D139 HydrophobicContact CD1-CB 3.45Å; L72-D139 VanDerWaalsContact CD1-CB 3.45Å; R73-D139 PolarHBondContact N-OD2 3.47Å; R73-D139 WeakPolarHBondContact O-CB 3.4Å; R73-D139 PolarHBondContact O-N 2.72Å; D139-R165 WeakPolarHBondContact OD1-CD 3.12Å; D139-R165 IonicContact OD1-CZ 3.69Å; D139-R165 IonicContact OD1-NE 3.59Å; D139-R165 PolarHBondContact OD1-NE 3.33Å; D139-R165 IonicContact OD1-NH2 3.04Å; D139-G168 CarbonylContact O-C 3.46Å; D139-G168 WeakPolarHBondContact O-CA 3.42Å; D139-A169 PolarHBondContact O-N 3.47Å
140V98.8Very high97.6Very high0 Ų039.9 Ų39.90%020%0.195CC..EExtended strand (participates in β ladder)trans-136138.1-175.5173.50000110.6L62 F65 L72 R73 L74 L75 V142 A169 Y171L62-V140 HydrophobicContact CD1-CG1 4.04Å; L62-V140 HydrophobicContact CG-CG1 4.28Å; L62-V140 HydrophobicContact CG-CG2 4.4Å; F65-V140 HydrophobicContact CB-CG2 3.72Å; F65-V140 HydrophobicContact CD2-CG2 4.01Å; F65-V140 HydrophobicContact CG-CG2 4.05Å; L72-V140 HydrophobicContact CD1-CG2 4.13Å; R73-V140 PolarHBondContact O-N 3.1Å; L74-V140 CarbonylContact C-O 3.36Å; L74-V140 VanDerWaalsContact CA-O 3.23Å; L74-V140 WeakPolarHBondContact CA-O 3.43Å; L74-V140 HydrophobicContact CD1-CB 4.21Å; L74-V140 HydrophobicContact CD1-CG1 3.81Å; L74-V140 HydrophobicContact CG-CB 4.29Å; L74-V140 HydrophobicContact CG-CG1 4.12Å; L75-V140 PolarHBondContact N-O 3.39Å; V140-V142 HydrophobicContact CG1-CG2 3.95Å; V140-A169 CarbonylContact C-O 3.56Å; V140-A169 VanDerWaalsContact CA-O 3.28Å; V140-A169 WeakPolarHBondContact CA-O 3.46Å; V140-Y171 HydrophobicContact CG1-CD2 3.72Å; V140-Y171 HydrophobicContact CG1-CE2 4.21Å; V140-Y171 HydrophobicContact CG2-CE2 4.47Å
141V98.9Very high97.4Very high0 Ų047 Ų470%023%0.234CC..EExtended strand (participates in β ladder)trans-110.8135.9165.2174.80000107.3L75 I77 V138 A160 L164 A169 L170 Y171L75-V141 HydrophobicContact CB-CG2 4.2Å; L75-V141 HydrophobicContact CD2-CG2 4.44Å; L75-V141 CarbonylContact O-C 3.59Å; L75-V141 WeakPolarHBondContact O-CA 3.29Å; I77-V141 HydrophobicContact CD1-CG1 3.44Å; I77-V141 VanDerWaalsContact CD1-CG1 3.44Å; I77-V141 HydrophobicContact CG1-CG1 3.85Å; V138-V141 HydrophobicContact CG2-CG2 3.8Å; V141-A160 HydrophobicContact CG1-CB 4.03Å; V141-L164 HydrophobicContact CB-CD1 4.49Å; V141-L164 HydrophobicContact CB-CD2 4.25Å; V141-L164 HydrophobicContact CB-CG 4.3Å; V141-L164 HydrophobicContact CG2-CD1 4.27Å; V141-L164 HydrophobicContact CG2-CD2 3.73Å; V141-L164 HydrophobicContact CG2-CG 3.63Å; V141-A169 PolarHBondContact N-O 3.38Å; V141-L170 HydrophobicContact CB-CD1 3.94Å; V141-L170 HydrophobicContact CG1-CD1 3.6Å; V141-L170 CarbonylContact O-C 3.54Å; V141-L170 VanDerWaalsContact O-CA 3.32Å; V141-L170 WeakPolarHBondContact O-CA 3.44Å; V141-Y171 PolarHBondContact O-N 2.86Å
142V98.8Very high97.5Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-116.7133.8172.5-178.70000109.6F59 L62 L74 L75 E76 I77 Y88 V140 T144 Y171F59-V142 HydrophobicContact CE1-CG1 3.81Å; F59-V142 HydrophobicContact CE1-CG2 4.08Å; F59-V142 HydrophobicContact CZ-CG1 3.85Å; L62-V142 HydrophobicContact CD1-CG2 4.28Å; L74-V142 HydrophobicContact CD1-CG2 3.59Å; L74-V142 HydrophobicContact CD2-CB 4.36Å; L74-V142 HydrophobicContact CD2-CG2 3.95Å; L74-V142 HydrophobicContact CG-CG2 3.95Å; L75-V142 PolarHBondContact O-N 3.25Å; E76-V142 WeakPolarHBondContact OE2-CB 3.45Å; I77-V142 PolarHBondContact N-O 3.11Å; Y88-V142 HydrophobicContact CE1-CG2 4.32Å; Y88-V142 VanDerWaalsContact OH-CG1 3.27Å; Y88-V142 WeakPolarHBondContact OH-CG1 3.4Å; V140-V142 HydrophobicContact CG1-CG2 3.95Å; V142-T144 HydrophobicContact CG1-CG2 3.78Å; V142-Y171 WeakPolarHBondContact CA-O 3.35Å
143C97.5Very high97.6Very high1 Ų136 Ų361%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-140.395.4-178.2-1700000108.8L147 L170 Y171 F172 L173C143-L147 WeakPolarHBondContact SG-CD2 3.16Å; C143-L170 HydrophobicContact CB-CD1 3.93Å; C143-Y171 PolarHBondContact N-O 2.98Å; C143-F172 VanDerWaalsContact O-CA 3.25Å; C143-F172 WeakPolarHBondContact O-CA 3.49Å; C143-L173 PolarHBondContact O-N 3.44Å
144T97.6Very high97.6Very high15 Ų1541.6 Ų41.69%0.09222%0.218CC..EExtended strand (participates in β ladder)trans-122.1124.3-178.369.30000112.3F59 N84 V142 V146 L173F59-T144 HydrophobicContact CZ-CG2 4.11Å; N84-T144 PolarHBondContact ND2-OG1 3.06Å; V142-T144 HydrophobicContact CG1-CG2 3.78Å; T144-V146 VanDerWaalsContact C-N 3.26Å; T144-V146 PolarHBondContact O-N 3.08Å; T144-L173 CarbonylContact C-O 3.39Å; T144-L173 VanDerWaalsContact CA-O 3.3Å; T144-L173 WeakPolarHBondContact CA-O 3.38Å; T144-L173 HydrophobicContact CG2-CB 3.78Å
145L96.3Very high97.6Very high56 Ų5641.4 Ų41.429%0.29321%0.211SC..SBendtrans57.137.1-175-52.2-179.1000113.5Y47 L173 E174Y47-L145 HydrophobicContact CD1-CD1 4.19Å; Y47-L145 HydrophobicContact CE1-CD1 3.64Å; Y47-L145 HydrophobicContact CE2-CD1 4.04Å; L145-L173 PolarHBondContact N-O 3.3Å; L145-E174 WeakPolarHBondContact CA-OE1 3.33Å; L145-E174 PolarHBondContact N-OE1 3.44Å
146V96.8Very high97.6Very high16 Ų1636.5 Ų36.510%0.09719%0.185CC..  trans-115.6-46.8-177.1174.10000110.7I77 T144 C148 S149 V150 E174I77-V146 HydrophobicContact CG2-CG1 4.07Å; I77-V146 WeakPolarHBondContact O-CG2 3.3Å; T144-V146 VanDerWaalsContact C-N 3.26Å; T144-V146 PolarHBondContact O-N 3.08Å; V146-C148 PolarHBondContact O-N 2.84Å; V146-S149 PolarHBondContact O-N 2.81Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; V146-V150 PolarHBondContact O-N 3.38Å; V146-E174 PolarHBondContact N-OE1 2.89Å
147L97.8Very high97.6Very high0 Ų032.1 Ų32.10%017%0.165CC..THydrogen-bonded Turntrans-63.5-18.8-174.9-56.7-177.9000112.1C143 V153 V156 L157 E174 R206 T208 L212C143-L147 WeakPolarHBondContact SG-CD2 3.16Å; L147-V153 HydrophobicContact CB-CG1 4.29Å; L147-V153 HydrophobicContact CD1-CG1 4.32Å; L147-V153 HydrophobicContact CD2-CG1 4.23Å; L147-V153 WeakPolarHBondContact O-CG2 3.42Å; L147-V156 HydrophobicContact CD2-CB 4.11Å; L147-V156 HydrophobicContact CD2-CG1 3.78Å; L147-L157 HydrophobicContact CD1-CD2 4.03Å; L147-L157 HydrophobicContact CD2-CD2 4.34Å; L147-E174 WeakPolarHBondContact CA-OE2 3.44Å; L147-E174 HydrophobicContact CB-CG 4.19Å; L147-E174 WeakPolarHBondContact CB-OE2 3.33Å; L147-E174 HydrophobicContact CD1-CG 4.36Å; L147-E174 HydrophobicContact CG-CG 4.42Å; L147-E174 PolarHBondContact N-OE1 3.21Å; L147-E174 PolarHBondContact N-OE2 2.96Å; L147-R206 WeakPolarHBondContact O-CD 3.44Å; L147-R206 PolarHBondContact O-NH1 3.48Å; L147-T208 HydrophobicContact CB-CG2 3.9Å; L147-L212 HydrophobicContact CD1-CD2 4.28Å; L147-L212 HydrophobicContact CD1-CG 4.43Å
148C96.1Very high97.6Very high2 Ų235.4 Ų35.41%0.01418%0.176CC..THydrogen-bonded Turntrans-72.5-22.2172.166.90000114.6V146 E174 H175 C202 M203V146-C148 PolarHBondContact O-N 2.84Å; C148-E174 PolarHBondContact N-OE2 2.93Å; C148-H175 VanDerWaalsContact CB-CE1 3.46Å; C148-H175 WeakPolarHBondContact CB-CE1 3.28Å; C148-H175 WeakPolarHBondContact CB-NE2 3.32Å; C148-H175 PolarHBondContact SG-NE2 3.05Å; C148-C202 VanDerWaalsContact SG-SG 3.7Å; C148-M203 PolarHBondContact O-N 2.95Å
149S94.9Very high97.7Very high40 Ų4036.9 Ų36.928%0.2818%0.183SC..THydrogen-bonded Turntrans-110.1-16.9-170.2-58.20000114.1V146 C202V146-S149 PolarHBondContact O-N 2.81Å; S149-C202 VanDerWaalsContact OG-CA 3.29Å; S149-C202 WeakPolarHBondContact OG-CA 3.4Å; S149-C202 WeakPolarHBondContact OG-CB 3.47Å; S149-C202 PolarHBondContact OG-N 3.13Å
150V96.6Very high97.7Very high14 Ų1436.6 Ų36.69%0.08518%0.182CC..  trans-70.4156.5178.8-63.80000112.3E128 V146 V153 V156 R206E128-V150 WeakPolarHBondContact OE1-CB 3.35Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; V146-V150 PolarHBondContact O-N 3.38Å; V150-V153 HydrophobicContact CG2-CB 4.48Å; V150-V153 HydrophobicContact CG2-CG2 3.8Å; V150-V156 HydrophobicContact CB-CG2 3.98Å; V150-V156 HydrophobicContact CG1-CG2 3.9Å; V150-V156 HydrophobicContact CG2-CG2 3.92Å; V150-R206 PolarHBondContact O-NH1 3.42Å; V150-R206 PolarHBondContact O-NH2 3.42Å
151N95.3Very high97.7Very high150 Ų15040.7 Ų40.780%0.80220%0.197SC*.SBendtrans-78.7-34.1178.7-61.9-63.3000111.8E128E128-N151 PolarHBondContact OE1-N 2.97Å
152N97.4Very high97.6Very high58 Ų5843.1 Ų43.131%0.3121%0.206SC..  trans-137.398.6-179-172.3-35.4000110.8E128 E154 R155 V156E128-N152 HydrophobicContact CG-CB 4.26Å; E128-N152 PolarHBondContact OE1-N 3.14Å; N152-E154 VanDerWaalsContact C-N 3.34Å; N152-E154 PolarHBondContact O-N 3.05Å; N152-E154 WeakPolarHBondContact OD1-CB 3.43Å; N152-E154 PolarHBondContact OD1-N 3.26Å; N152-E154 VanDerWaalsContact OD1-N 3.14Å; N152-R155 HydrophobicContact CB-CB 4.2Å; N152-R155 HydrophobicContact CB-CG 4.32Å; N152-R155 PolarHBondContact O-N 3.4Å; N152-R155 PolarHBondContact OD1-N 3.36Å; N152-V156 WeakPolarHBondContact O-CG2 3.42Å; N152-V156 PolarHBondContact O-N 3.12Å
153V98.3Very high97.6Very high11 Ų1143.1 Ų43.17%0.06721%0.206CC..Hα-helixtrans-61.6-42.1-179.9-179.70000111.7L147 V150 R155 V156 L157 R206 D211L147-V153 HydrophobicContact CB-CG1 4.29Å; L147-V153 HydrophobicContact CD1-CG1 4.32Å; L147-V153 HydrophobicContact CD2-CG1 4.23Å; L147-V153 WeakPolarHBondContact O-CG2 3.42Å; V150-V153 HydrophobicContact CG2-CB 4.48Å; V150-V153 HydrophobicContact CG2-CG2 3.8Å; V153-R155 VanDerWaalsContact C-N 3.3Å; V153-R155 PolarHBondContact O-N 2.81Å; V153-V156 PolarHBondContact O-N 2.9Å; V153-V156 VanDerWaalsContact O-N 3.15Å; V153-L157 HydrophobicContact CG1-CD1 3.81Å; V153-L157 HydrophobicContact CG1-CG 4.23Å; V153-L157 WeakPolarHBondContact O-CG 3.41Å; V153-L157 PolarHBondContact O-N 3.22Å; V153-R206 VanDerWaalsContact CG2-NH1 3.31Å; V153-D211 HydrophobicContact CB-CB 4.29Å; V153-D211 HydrophobicContact CG1-CB 3.48Å; V153-D211 VanDerWaalsContact CG1-CB 3.48Å
154E98.1Very high97.7Very high123 Ų12343.1 Ų43.158%0.57521%0.206SC*.Hα-helixtrans-57.3-44.8-179.4-170.9-170.5169.400111.2N152 V156 L157 Q158N152-E154 VanDerWaalsContact C-N 3.34Å; N152-E154 PolarHBondContact O-N 3.05Å; N152-E154 WeakPolarHBondContact OD1-CB 3.43Å; N152-E154 PolarHBondContact OD1-N 3.26Å; N152-E154 VanDerWaalsContact OD1-N 3.14Å; E154-V156 PolarHBondContact O-N 3.42Å; E154-L157 PolarHBondContact O-N 2.88Å; E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.5Å; E154-Q158 PolarHBondContact O-N 3.14Å; E154-Q158 PolarHBondContact OE1-NE2 2.95Å; E154-Q158 VanDerWaalsContact OE1-NE2 3.14Å
155R98.4Very high97.7Very high146 Ų14645.5 Ų45.555%0.55121%0.213SC*.Hα-helixtrans-63.3-41.3176.7-76.9-170.7178.6-172.7-0.9113.1E128 N152 V153 L157 Q158 E159E128-R155 HydrophobicContact CB-CB 4.26Å; E128-R155 HydrophobicContact CG-CB 4.4Å; N152-R155 HydrophobicContact CB-CB 4.2Å; N152-R155 HydrophobicContact CB-CG 4.32Å; N152-R155 PolarHBondContact O-N 3.4Å; N152-R155 PolarHBondContact OD1-N 3.36Å; V153-R155 VanDerWaalsContact C-N 3.3Å; V153-R155 PolarHBondContact O-N 2.81Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 3.48Å; R155-Q158 PolarHBondContact O-N 3.36Å; R155-E159 PolarHBondContact O-N 3.14Å
156V98.7Very high97.8Very high1 Ų147.4 Ų47.41%0.00622%0.224CC..Hα-helixtrans-60.6-43175.8-177.10000110.9I77 G127 E128 L147 V150 N152 V153 E154 E159 A160I77-V156 HydrophobicContact CD1-CG1 4.27Å; I77-V156 HydrophobicContact CG2-CG1 4.49Å; G127-V156 WeakPolarHBondContact O-CA 3.41Å; E128-V156 HydrophobicContact CG-CG2 3.91Å; L147-V156 HydrophobicContact CD2-CB 4.11Å; L147-V156 HydrophobicContact CD2-CG1 3.78Å; V150-V156 HydrophobicContact CB-CG2 3.98Å; V150-V156 HydrophobicContact CG1-CG2 3.9Å; V150-V156 HydrophobicContact CG2-CG2 3.92Å; N152-V156 WeakPolarHBondContact O-CG2 3.42Å; N152-V156 PolarHBondContact O-N 3.12Å; V153-V156 PolarHBondContact O-N 2.9Å; V153-V156 VanDerWaalsContact O-N 3.15Å; E154-V156 PolarHBondContact O-N 3.42Å; V156-E159 PolarHBondContact O-N 3.49Å; V156-A160 WeakPolarHBondContact O-CB 3.37Å; V156-A160 PolarHBondContact O-N 3.08Å
157L98.8Very high97.8Very high3 Ų348.2 Ų48.22%0.01624%0.236CC..Hα-helixtrans-70-34.3179.6-64.3176.3000111.9L147 V153 E154 R155 R161 L170 D211 L212 A215L147-L157 HydrophobicContact CD1-CD2 4.03Å; L147-L157 HydrophobicContact CD2-CD2 4.34Å; V153-L157 HydrophobicContact CG1-CD1 3.81Å; V153-L157 HydrophobicContact CG1-CG 4.23Å; V153-L157 WeakPolarHBondContact O-CG 3.41Å; V153-L157 PolarHBondContact O-N 3.22Å; E154-L157 PolarHBondContact O-N 2.88Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 3.48Å; L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 3.45Å; L157-L170 HydrophobicContact CD2-CD2 3.54Å; L157-D211 HydrophobicContact CD1-CB 4.06Å; L157-L212 HydrophobicContact CD1-CD2 4.25Å; L157-L212 HydrophobicContact CD2-CD2 3.81Å; L157-A215 HydrophobicContact CB-CB 3.99Å; L157-A215 HydrophobicContact CD1-CB 3.79Å; L157-A215 HydrophobicContact CG-CB 4.39Å
158Q98.6Very high97.9Very high100 Ų10048.2 Ų48.247%0.46724%0.236SC..Hα-helixtrans-63.1-46.9171.4-74169.7-1.700111.7E154 R155 R161 R162E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.5Å; E154-Q158 PolarHBondContact O-N 3.14Å; E154-Q158 PolarHBondContact OE1-NE2 2.95Å; E154-Q158 VanDerWaalsContact OE1-NE2 3.14Å; R155-Q158 PolarHBondContact O-N 3.36Å; Q158-R161 PolarHBondContact O-N 2.57Å; Q158-R162 PolarHBondContact O-N 3Å
159E98.8Very high98Very high32 Ų3248.1 Ų48.115%0.1524%0.235CC..Hα-helixtrans-63.2-43.7176.5-76.1-70.391.700111.7M130 R155 V156 R161 R162 I163M130-E159 WeakPolarHBondContact CA-OE2 3.39Å; M130-E159 WeakPolarHBondContact CB-OE2 3.29Å; M130-E159 HydrophobicContact CE-CB 3.48Å; M130-E159 VanDerWaalsContact CE-CB 3.48Å; M130-E159 HydrophobicContact CE-CG 4.44Å; M130-E159 PolarHBondContact N-OE2 3.39Å; R155-E159 PolarHBondContact O-N 3.14Å; V156-E159 PolarHBondContact O-N 3.49Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.26Å; E159-R162 WeakPolarHBondContact O-CB 3.21Å; E159-R162 PolarHBondContact O-N 3.45Å; E159-R162 VanDerWaalsContact O-N 3.15Å; E159-R162 IonicContact OE1-CZ 3.52Å; E159-R162 IonicContact OE1-NE 2.65Å; E159-R162 PolarHBondContact OE1-NE 3.12Å; E159-R162 IonicContact OE1-NH2 3.58Å; E159-R162 PolarHBondContact OE1-NH2 3.32Å; E159-R162 IonicContact OE2-CZ 2.86Å; E159-R162 IonicContact OE2-NE 3.48Å; E159-R162 IonicContact OE2-NH2 3.56Å; E159-R162 PolarHBondContact OE2-NH2 3.12Å; E159-I163 WeakPolarHBondContact O-CB 3.46Å; E159-I163 WeakPolarHBondContact O-CD1 3.4Å; E159-I163 VanDerWaalsContact O-CG1 3.29Å; E159-I163 WeakPolarHBondContact O-CG1 3.05Å; E159-I163 PolarHBondContact O-N 2.99Å
160A98.7Very high98.2Very high1 Ų146.3 Ų46.31%0.00822%0.222CC..Hα-helixtrans-57-42.3174.400000111.7I77 V141 V156 L164 L170I77-A160 HydrophobicContact CD1-CB 4.33Å; V141-A160 HydrophobicContact CG1-CB 4.03Å; V156-A160 WeakPolarHBondContact O-CB 3.37Å; V156-A160 PolarHBondContact O-N 3.08Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 WeakPolarHBondContact O-CD1 3.49Å; A160-L164 WeakPolarHBondContact O-CG 3.02Å; A160-L164 PolarHBondContact O-N 3.42Å; A160-L170 HydrophobicContact CB-CD1 4.32Å
161R98.6Very high98.3Very high85 Ų8545.6 Ų45.632%0.32122%0.218SC..Hα-helixtrans-68.5-37.5175.6-75.6-175.665.8-163.7-0.7113.4L157 Q158 E159 A215 G216 F217 K244L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 3.45Å; Q158-R161 PolarHBondContact O-N 2.57Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.26Å; R161-A215 WeakPolarHBondContact CD-O 3.48Å; R161-A215 PolarHBondContact NH1-O 2.93Å; R161-G216 VanDerWaalsContact CZ-C 3.46Å; R161-G216 VanDerWaalsContact NH1-C 3.3Å; R161-G216 PolarHBondContact NH1-O 3.45Å; R161-G216 PolarHBondContact NH2-O 2.79Å; R161-F217 HydrophobicContact CG-CD1 4Å; R161-F217 HydrophobicContact CG-CD2 4.28Å; R161-F217 HydrophobicContact CG-CE1 3.43Å; R161-F217 VanDerWaalsContact CG-CE1 3.43Å; R161-F217 HydrophobicContact CG-CE2 3.73Å; R161-F217 HydrophobicContact CG-CG 4.4Å; R161-F217 HydrophobicContact CG-CZ 3.27Å; R161-K244 VanDerWaalsContact O-CD 3.24Å; R161-K244 WeakPolarHBondContact O-CD 3.26Å; R161-K244 VanDerWaalsContact O-CE 3.26Å; R161-K244 WeakPolarHBondContact O-CE 3.5Å; R161-K244 PolarHBondContact O-NZ 3.4Å
162R98.5Very high98.4Very high52 Ų5238.5 Ų38.520%0.19618%0.18CC..Hα-helixtrans-61.2-48176.7-179.5-176.162.473.1-0.6110.4M130 V133 D135 E136 Q158 E159M130-R162 PolarHBondContact O-NH2 2.78Å; V133-R162 PolarHBondContact O-NH1 3Å; V133-R162 PolarHBondContact O-NH2 2.62Å; D135-R162 HydrophobicContact CB-CG 4.24Å; D135-R162 VanDerWaalsContact OD1-CD 3.24Å; D135-R162 WeakPolarHBondContact OD1-CD 3.33Å; D135-R162 VanDerWaalsContact OD1-CG 3.3Å; D135-R162 WeakPolarHBondContact OD1-CG 3.35Å; D135-R162 IonicContact OD1-CZ 3.62Å; D135-R162 IonicContact OD1-NE 3.63Å; D135-R162 IonicContact OD1-NH1 2.76Å; D135-R162 PolarHBondContact OD1-NH1 2.84Å; D135-R162 WeakPolarHBondContact OD2-CG 3.24Å; E136-R162 PolarHBondContact N-O 3.46Å; Q158-R162 PolarHBondContact O-N 3Å; E159-R162 WeakPolarHBondContact O-CB 3.21Å; E159-R162 PolarHBondContact O-N 3.45Å; E159-R162 VanDerWaalsContact O-N 3.15Å; E159-R162 IonicContact OE1-CZ 3.52Å; E159-R162 IonicContact OE1-NE 2.65Å; E159-R162 PolarHBondContact OE1-NE 3.12Å; E159-R162 IonicContact OE1-NH2 3.58Å; E159-R162 PolarHBondContact OE1-NH2 3.32Å; E159-R162 IonicContact OE2-CZ 2.86Å; E159-R162 IonicContact OE2-NE 3.48Å; E159-R162 IonicContact OE2-NH2 3.56Å; E159-R162 PolarHBondContact OE2-NH2 3.12Å
163I98.8Very high98.5Very high0 Ų035.8 Ų35.80%017%0.165CC..Hα-helixtrans-73.4-33.5-174.4-67.2163.9000112.6L75 M130 V133 E136 S137 V138 E159 R165L75-I163 HydrophobicContact CD2-CD1 3.82Å; L75-I163 HydrophobicContact CD2-CG2 4.02Å; M130-I163 HydrophobicContact CB-CD1 3.89Å; M130-I163 HydrophobicContact CE-CD1 3.65Å; M130-I163 HydrophobicContact SD-CD1 4.33Å; V133-I163 HydrophobicContact CB-CD1 3.83Å; V133-I163 HydrophobicContact CB-CG1 4.12Å; V133-I163 HydrophobicContact CG1-CB 4.41Å; V133-I163 HydrophobicContact CG1-CD1 3.92Å; V133-I163 HydrophobicContact CG1-CG1 3.94Å; V133-I163 HydrophobicContact CG1-CG2 3.58Å; V133-I163 HydrophobicContact CG2-CD1 4.48Å; E136-I163 CarbonylContact C-O 3.52Å; E136-I163 VanDerWaalsContact CA-O 3.25Å; E136-I163 WeakPolarHBondContact CA-O 3.47Å; E136-I163 PolarHBondContact N-O 3.36Å; S137-I163 PolarHBondContact N-O 3.5Å; V138-I163 HydrophobicContact CB-CG2 4.43Å; V138-I163 HydrophobicContact CG1-CG2 4.08Å; V138-I163 HydrophobicContact CG2-CG2 3.61Å; V138-I163 PolarHBondContact N-O 2.88Å; E159-I163 WeakPolarHBondContact O-CB 3.46Å; E159-I163 WeakPolarHBondContact O-CD1 3.4Å; E159-I163 VanDerWaalsContact O-CG1 3.29Å; E159-I163 WeakPolarHBondContact O-CG1 3.05Å; E159-I163 PolarHBondContact O-N 2.99Å; I163-R165 PolarHBondContact O-N 2.95Å
164L98.8Very high98.4Very high0 Ų035.2 Ų35.20%016%0.162CC..EExtended strand (participates in β ladder)trans-63.1133.9176-80.3169000111.4V138 V141 A160 A169 L170 F217 K244V138-L164 HydrophobicContact CG2-CD2 4.17Å; V141-L164 HydrophobicContact CB-CD1 4.49Å; V141-L164 HydrophobicContact CB-CD2 4.25Å; V141-L164 HydrophobicContact CB-CG 4.3Å; V141-L164 HydrophobicContact CG2-CD1 4.27Å; V141-L164 HydrophobicContact CG2-CD2 3.73Å; V141-L164 HydrophobicContact CG2-CG 3.63Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 WeakPolarHBondContact O-CD1 3.49Å; A160-L164 WeakPolarHBondContact O-CG 3.02Å; A160-L164 PolarHBondContact O-N 3.42Å; L164-A169 WeakPolarHBondContact CD2-O 3.44Å; L164-L170 HydrophobicContact CD1-CB 4.13Å; L164-F217 HydrophobicContact CD1-CE1 3.86Å; L164-F217 HydrophobicContact CD1-CZ 4.47Å; L164-K244 HydrophobicContact CB-CB 4.31Å; L164-K244 HydrophobicContact CB-CD 3.88Å; L164-K244 WeakPolarHBondContact O-CD 3.48Å; L164-K244 WeakPolarHBondContact O-CE 3.31Å; L164-K244 PolarHBondContact O-NZ 3.41Å
165R98.4Very high98.4Very high65 Ų6529.7 Ų29.725%0.24514%0.136CC..EExtended strand (participates in β ladder)trans-62.2158.8164.170.5172.1177.276.9-2.9111F65 E136 V138 D139 I163 G167 G168F65-R165 PolarHBondContact O-NH2 3.23Å; E136-R165 HydrophobicContact CB-CB 4.44Å; V138-R165 PolarHBondContact O-N 3.2Å; D139-R165 WeakPolarHBondContact OD1-CD 3.12Å; D139-R165 IonicContact OD1-CZ 3.69Å; D139-R165 IonicContact OD1-NE 3.59Å; D139-R165 PolarHBondContact OD1-NE 3.33Å; D139-R165 IonicContact OD1-NH2 3.04Å; I163-R165 PolarHBondContact O-N 2.95Å; R165-G167 PolarHBondContact O-N 3.44Å; R165-G168 WeakPolarHBondContact O-CA 3.35Å; R165-G168 PolarHBondContact O-N 2.88Å
166N97.6Very high98.3Very high97 Ų9722.9 Ų22.952%0.51911%0.111SC..EExtended strand (participates in β ladder)trans-58.6131.5172.1-66.7-53.8000110.7E136 G168 K244E136-N166 PolarHBondContact OE1-ND2 3.44Å; E136-N166 PolarHBondContact OE2-ND2 3.48Å; E136-N166 VanDerWaalsContact OE2-ND2 3.16Å; N166-G168 PolarHBondContact O-N 3.03Å; N166-K244 WeakPolarHBondContact OD1-CE 3.14Å
167G97.6Very high98.3Very high33 Ų3324 Ų2434%0.3412%0.118SC..EExtended strand (participates in β ladder)trans74.73.8-172.100000115.4R165 K244R165-G167 PolarHBondContact O-N 3.44Å; G167-K244 WeakPolarHBondContact CA-O 3.5Å; G167-K244 PolarHBondContact N-O 3.39Å
168G98.5Very high98.2Very high0 Ų024.5 Ų24.50%012%0.121CC..EExtended strand (participates in β ladder)trans-74.1173.316900000112D139 R165 N166 I243 K244D139-G168 CarbonylContact O-C 3.46Å; D139-G168 WeakPolarHBondContact O-CA 3.42Å; R165-G168 WeakPolarHBondContact O-CA 3.35Å; R165-G168 PolarHBondContact O-N 2.88Å; N166-G168 PolarHBondContact O-N 3.03Å; G168-I243 WeakPolarHBondContact O-CA 3.12Å; G168-K244 PolarHBondContact O-N 3.43Å
169A98.7Very high98Very high0 Ų024.3 Ų24.30%012%0.123CC..EExtended strand (participates in β ladder)trans-135.7142.1-175.900000116.3F65 D139 V140 V141 L164 Y171 S242F65-A169 HydrophobicContact CD1-CB 4.19Å; F65-A169 HydrophobicContact CD2-CB 4.07Å; F65-A169 HydrophobicContact CE1-CB 3.61Å; F65-A169 HydrophobicContact CE2-CB 3.44Å; F65-A169 VanDerWaalsContact CE2-CB 3.44Å; F65-A169 HydrophobicContact CG-CB 4.39Å; F65-A169 HydrophobicContact CZ-CB 3.18Å; D139-A169 PolarHBondContact O-N 3.47Å; V140-A169 CarbonylContact C-O 3.56Å; V140-A169 VanDerWaalsContact CA-O 3.28Å; V140-A169 WeakPolarHBondContact CA-O 3.46Å; V141-A169 PolarHBondContact N-O 3.38Å; L164-A169 WeakPolarHBondContact CD2-O 3.44Å; A169-Y171 HydrophobicContact CB-CD2 4.34Å; A169-Y171 HydrophobicContact CB-CE2 4.03Å; A169-S242 CarbonylContact C-O 3.49Å; A169-S242 WeakPolarHBondContact CA-O 3.46Å; A169-S242 VanDerWaalsContact CB-O 3.32Å; A169-S242 WeakPolarHBondContact CB-O 3.5Å
170L98.8Very high97.7Very high1 Ų127.5 Ų27.51%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-92.8117.9167.7171.764000109.4V141 C143 L157 A160 L164 L212 F217 Y241 S242V141-L170 HydrophobicContact CB-CD1 3.94Å; V141-L170 HydrophobicContact CG1-CD1 3.6Å; V141-L170 CarbonylContact O-C 3.54Å; V141-L170 VanDerWaalsContact O-CA 3.32Å; V141-L170 WeakPolarHBondContact O-CA 3.44Å; C143-L170 HydrophobicContact CB-CD1 3.93Å; L157-L170 HydrophobicContact CD2-CD2 3.54Å; A160-L170 HydrophobicContact CB-CD1 4.32Å; L164-L170 HydrophobicContact CD1-CB 4.13Å; L170-L212 HydrophobicContact CD2-CD2 4.13Å; L170-F217 HydrophobicContact CB-CE1 3.94Å; L170-F217 HydrophobicContact CB-CE2 4.47Å; L170-F217 HydrophobicContact CB-CZ 3.68Å; L170-F217 HydrophobicContact CD2-CE2 3.71Å; L170-F217 HydrophobicContact CD2-CZ 3.55Å; L170-F217 HydrophobicContact CG-CZ 4.26Å; L170-Y241 CarbonylContact O-C 3.51Å; L170-Y241 WeakPolarHBondContact O-CA 3.22Å; L170-Y241 WeakPolarHBondContact O-CB 3.47Å; L170-S242 PolarHBondContact N-O 3.35Å; L170-S242 PolarHBondContact O-N 3.3Å
171Y98.8Very high97.4Very high0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-96.9138170.3-80-103.8000110.8L58 F59 N61 L62 F65 V140 V141 V142 C143 A169 Y241L58-Y171 HydrophobicContact CD1-CD1 3.88Å; L58-Y171 HydrophobicContact CG-CD1 4.16Å; L58-Y171 VanDerWaalsContact O-CE1 3.26Å; L58-Y171 WeakPolarHBondContact O-CE1 3.46Å; F59-Y171 HydrophobicContact CD1-CD1 4.15Å; F59-Y171 HydrophobicContact CE1-CD1 4.42Å; N61-Y171 PolarHBondContact O-OH 2.95Å; L62-Y171 WeakPolarHBondContact CA-OH 3.47Å; L62-Y171 HydrophobicContact CD1-CD2 4.39Å; L62-Y171 HydrophobicContact CD1-CE2 4.47Å; L62-Y171 HydrophobicContact CG-CE2 4.36Å; F65-Y171 AromaticContact CD2-CE2 3.94Å; F65-Y171 HydrophobicContact CD2-CE2 3.94Å; F65-Y171 AromaticContact CE2-CE2 3.64Å; F65-Y171 HydrophobicContact CE2-CE2 3.64Å; F65-Y171 AromaticContact CE2-CZ 3.91Å; F65-Y171 WeakPolarHBondContact CE2-OH 3.42Å; V140-Y171 HydrophobicContact CG1-CD2 3.72Å; V140-Y171 HydrophobicContact CG1-CE2 4.21Å; V140-Y171 HydrophobicContact CG2-CE2 4.47Å; V141-Y171 PolarHBondContact O-N 2.86Å; V142-Y171 WeakPolarHBondContact CA-O 3.35Å; C143-Y171 PolarHBondContact N-O 2.98Å; A169-Y171 HydrophobicContact CB-CD2 4.34Å; A169-Y171 HydrophobicContact CB-CE2 4.03Å; Y171-Y241 HydrophobicContact CD1-CD1 4.46Å; Y171-Y241 AromaticContact CE1-CD1 3.84Å; Y171-Y241 HydrophobicContact CE1-CD1 3.84Å; Y171-Y241 HydrophobicContact CE1-CG 4.15Å
172F98.6Very high97.2Very high1 Ų130.8 Ų30.80%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-138.6150.4-178.259.6-94.7000113.8C143 L212 L220 L222 I238 M239 G240C143-F172 VanDerWaalsContact O-CA 3.25Å; C143-F172 WeakPolarHBondContact O-CA 3.49Å; F172-L212 HydrophobicContact CD1-CD1 4.03Å; F172-L212 HydrophobicContact CD1-CD2 3.9Å; F172-L212 HydrophobicContact CD2-CD1 3.62Å; F172-L212 HydrophobicContact CE1-CD1 4.03Å; F172-L212 HydrophobicContact CE1-CD2 4.14Å; F172-L212 HydrophobicContact CE2-CD1 3.63Å; F172-L212 HydrophobicContact CG-CD1 3.83Å; F172-L212 HydrophobicContact CG-CD2 4.3Å; F172-L212 HydrophobicContact CZ-CD1 3.84Å; F172-L220 HydrophobicContact CE1-CD1 3.89Å; F172-L220 HydrophobicContact CZ-CD1 3.88Å; F172-L222 HydrophobicContact CE2-CD1 4.07Å; F172-L222 HydrophobicContact CE2-CG 4.15Å; F172-L222 HydrophobicContact CZ-CB 4.13Å; F172-L222 HydrophobicContact CZ-CD1 4.03Å; F172-L222 HydrophobicContact CZ-CG 4.14Å; F172-I238 HydrophobicContact CD2-CD1 4.35Å; F172-I238 HydrophobicContact CD2-CG1 4.29Å; F172-I238 HydrophobicContact CE2-CD1 4.25Å; F172-I238 HydrophobicContact CE2-CG1 4.29Å; F172-M239 VanDerWaalsContact O-CA 3.31Å; F172-M239 WeakPolarHBondContact O-CA 3.44Å; F172-G240 PolarHBondContact N-O 2.88Å; F172-G240 PolarHBondContact O-N 3.17Å
173L98.2Very high96.9Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-146.8109.9169.3174.169.5000107.8K55 L58 C143 T144 L145 I225 I238 M239K55-L173 HydrophobicContact CG-CD2 4.05Å; L58-L173 HydrophobicContact CD2-CB 3.84Å; C143-L173 PolarHBondContact O-N 3.44Å; T144-L173 CarbonylContact C-O 3.39Å; T144-L173 VanDerWaalsContact CA-O 3.3Å; T144-L173 WeakPolarHBondContact CA-O 3.38Å; T144-L173 HydrophobicContact CG2-CB 3.78Å; L145-L173 PolarHBondContact N-O 3.3Å; L173-I225 HydrophobicContact CD1-CD1 4.26Å; L173-I238 WeakPolarHBondContact CA-O 3.48Å; L173-M239 HydrophobicContact CD1-CB 3.69Å
174E97.6Very high96.7Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-128.9142.2-175.7-67.4-68.312000109.5L145 V146 L147 C148 V176 H237 I238L145-E174 WeakPolarHBondContact CA-OE1 3.33Å; L145-E174 PolarHBondContact N-OE1 3.44Å; V146-E174 PolarHBondContact N-OE1 2.89Å; L147-E174 WeakPolarHBondContact CA-OE2 3.44Å; L147-E174 HydrophobicContact CB-CG 4.19Å; L147-E174 WeakPolarHBondContact CB-OE2 3.33Å; L147-E174 HydrophobicContact CD1-CG 4.36Å; L147-E174 HydrophobicContact CG-CG 4.42Å; L147-E174 PolarHBondContact N-OE1 3.21Å; L147-E174 PolarHBondContact N-OE2 2.96Å; C148-E174 PolarHBondContact N-OE2 2.93Å; E174-V176 HydrophobicContact CB-CG1 4.35Å; E174-H237 CarbonylContact O-C 3.57Å; E174-H237 WeakPolarHBondContact O-CA 3.32Å; E174-H237 VanDerWaalsContact O-CB 3.3Å; E174-H237 WeakPolarHBondContact O-CB 3.29Å; E174-H237 PolarHBondContact O-CD2 3.17Å; E174-I238 HydrophobicContact CB-CD1 4.32Å; E174-I238 HydrophobicContact CB-CG1 3.91Å; E174-I238 PolarHBondContact N-O 2.81Å; E174-I238 PolarHBondContact O-N 2.87Å
175H96.9Very high96.6Very high7 Ų738.4 Ų38.43%0.03221%0.214CC..EExtended strand (participates in β ladder)trans-75.9152.415969.971.5000108.8C148 C202 I234 P236 H237C148-H175 VanDerWaalsContact CB-CE1 3.46Å; C148-H175 WeakPolarHBondContact CB-CE1 3.28Å; C148-H175 WeakPolarHBondContact CB-NE2 3.32Å; C148-H175 PolarHBondContact SG-NE2 3.05Å; H175-C202 PolarHBondContact CE1-SG 3.47Å; H175-C202 PolarHBondContact NE2-SG 2.81Å; H175-I234 HydrophobicContact CB-CB 3.78Å; H175-I234 HydrophobicContact CB-CG2 4.09Å; H175-P236 CarbonylContact C-O 3.49Å; H175-P236 VanDerWaalsContact CA-O 3.24Å; H175-P236 WeakPolarHBondContact CA-O 3.23Å; H175-H237 PolarHBondContact N-CD2 3.01Å
176V97.7Very high96.4Very high2 Ų236.1 Ų36.11%0.01221%0.206CC..  trans-140.9171.6-174.2-55.90000112.5E174 S178 Q188 R206 T208 W209 P236 I238E174-V176 HydrophobicContact CB-CG1 4.35Å; V176-S178 PolarHBondContact O-N 3.47Å; V176-Q188 PolarHBondContact O-NE2 2.78Å; V176-R206 CarbonylContact C-O 3.49Å; V176-R206 WeakPolarHBondContact CA-O 3.39Å; V176-T208 WeakPolarHBondContact CG1-OG1 3.48Å; V176-W209 HydrophobicContact CB-CE3 3.7Å; V176-W209 HydrophobicContact CB-CZ3 3.55Å; V176-W209 HydrophobicContact CG1-CE3 3.94Å; V176-W209 HydrophobicContact CG1-CZ3 4.31Å; V176-W209 HydrophobicContact CG2-CE3 3.83Å; V176-W209 HydrophobicContact CG2-CZ3 3.58Å; V176-P236 HydrophobicContact CG2-CB 4.19Å; V176-P236 PolarHBondContact N-O 3.23Å; V176-P236 WeakPolarHBondContact O-CG 3.15Å; V176-I238 HydrophobicContact CG1-CB 4.32Å; V176-I238 HydrophobicContact CG1-CD1 3.9Å; V176-I238 HydrophobicContact CG1-CG1 3.71Å; V176-I238 HydrophobicContact CG1-CG2 3.92Å; V176-I238 HydrophobicContact CG2-CG2 4.15Å
177V97.6Very high96.3Very high25 Ų2532 Ų3215%0.15218%0.184CC..PPolyproline II helixtrans-65.5135.5174.6680000111.4H185 T205 R206 A207 W209V177-H185 WeakPolarHBondContact CG2-ND1 3.5Å; V177-T205 WeakPolarHBondContact CB-O 3.44Å; V177-R206 PolarHBondContact N-O 2.94Å; V177-A207 HydrophobicContact CG1-CB 3.9Å; V177-W209 HydrophobicContact CG1-CH2 3.44Å; V177-W209 VanDerWaalsContact CG1-CH2 3.44Å; V177-W209 HydrophobicContact CG1-CZ3 3.77Å
178S96.7Very high96.2Very high14 Ų1430.4 Ų30.410%0.09817%0.168CC..PPolyproline II helixtrans-80165.1173.651.50000112.1V176 T182 T184 H185 Q188V176-S178 PolarHBondContact O-N 3.47Å; S178-T182 PolarHBondContact OG-OG1 2.9Å; S178-T184 VanDerWaalsContact OG-C 3.27Å; S178-T184 WeakPolarHBondContact OG-CB 3.43Å; S178-T184 WeakPolarHBondContact OG-CG2 3.45Å; S178-H185 PolarHBondContact O-ND1 3.44Å; S178-H185 WeakPolarHBondContact OG-CA 3.38Å; S178-H185 WeakPolarHBondContact OG-CB 3.45Å; S178-H185 PolarHBondContact OG-N 3.28Å; S178-Q188 PolarHBondContact OG-OE1 3.34Å
179D93.5Very high96.1Very high95 Ų9533.4 Ų33.451%0.50818%0.18SC..PPolyproline II helixtrans-54129.6178-176.7-65.1000111.5S181 T182 H185D179-S181 PolarHBondContact O-N 2.92Å; D179-S181 VanDerWaalsContact OD1-CB 3.26Å; D179-S181 WeakPolarHBondContact OD1-CB 3.35Å; D179-S181 PolarHBondContact OD1-N 3.05Å; D179-S181 PolarHBondContact OD1-OG 3.25Å; D179-T182 HydrophobicContact CB-CG2 3.91Å; D179-T182 WeakPolarHBondContact O-CB 3.45Å; D179-T182 PolarHBondContact O-N 3.33Å; D179-T182 PolarHBondContact O-OG1 3.04Å; D179-H185 WeakPolarHBondContact O-CB 3.2Å
180P93.3Very high96Very high99 Ų9933.7 Ų33.764%0.64318%0.182SC*.THydrogen-bonded Turntrans-54.6-21.8-177.6-27.935.6000116.3T182P180-T182 VanDerWaalsContact C-N 3.31Å
181S92.4Very high95.8Very high106 Ų10638.2 Ų38.274%0.74120%0.202SC*.THydrogen-bonded Turntrans-79.5-11.6177.869.50000113.8D179D179-S181 PolarHBondContact O-N 2.92Å; D179-S181 VanDerWaalsContact OD1-CB 3.26Å; D179-S181 WeakPolarHBondContact OD1-CB 3.35Å; D179-S181 PolarHBondContact OD1-N 3.05Å; D179-S181 PolarHBondContact OD1-OG 3.25Å
182T93.5Very high95.7Very high50 Ų5039 Ų3931%0.30721%0.205SC..SBendtrans-89.9155.4-173.367.90000113.6S178 D179 P180 T184 H185 F186S178-T182 PolarHBondContact OG-OG1 2.9Å; D179-T182 HydrophobicContact CB-CG2 3.91Å; D179-T182 WeakPolarHBondContact O-CB 3.45Å; D179-T182 PolarHBondContact O-N 3.33Å; D179-T182 PolarHBondContact O-OG1 3.04Å; P180-T182 VanDerWaalsContact C-N 3.31Å; T182-T184 VanDerWaalsContact C-N 3.27Å; T182-T184 PolarHBondContact O-N 3.33Å; T182-H185 PolarHBondContact O-N 3.3Å; T182-H185 PolarHBondContact OG1-N 3.45Å; T182-F186 PolarHBondContact O-N 2.67Å
183W93Very high95.5Very high157 Ų15739.2 Ų39.260%0.59521%0.207SC*.Hα-helixtrans-66.2-31.2170.6-171.7-109.5000112.4M1 H185 F186 C187M1-W183 HydrophobicContact CE-CE3 4.47Å; M1-W183 HydrophobicContact CE-CZ3 3.94Å; M1-W183 HydrophobicContact SD-CE3 3.69Å; M1-W183 HydrophobicContact SD-CZ3 3.47Å; M1-W183 WeakPolarHBondContact SD-CZ3 3.47Å; W183-H185 VanDerWaalsContact C-N 3.27Å; W183-H185 PolarHBondContact O-N 2.85Å; W183-F186 AromaticContact CD2-CD1 3.97Å; W183-F186 HydrophobicContact CD2-CD1 3.97Å; W183-F186 AromaticContact CE2-CD1 3.88Å; W183-F186 HydrophobicContact CE3-CB 4.23Å; W183-F186 AromaticContact CE3-CD1 3.7Å; W183-F186 HydrophobicContact CE3-CD1 3.7Å; W183-F186 HydrophobicContact CE3-CE1 4.42Å; W183-F186 HydrophobicContact CE3-CG 4.23Å; W183-F186 AromaticContact CH2-CD1 3.36Å; W183-F186 HydrophobicContact CH2-CD1 3.36Å; W183-F186 AromaticContact CH2-CE1 3.23Å; W183-F186 HydrophobicContact CH2-CE1 3.23Å; W183-F186 HydrophobicContact CH2-CG 4.42Å; W183-F186 HydrophobicContact CH2-CZ 4.2Å; W183-F186 AromaticContact CZ2-CD1 3.6Å; W183-F186 HydrophobicContact CZ2-CD1 3.6Å; W183-F186 AromaticContact CZ2-CE1 3.61Å; W183-F186 HydrophobicContact CZ2-CE1 3.61Å; W183-F186 AromaticContact CZ3-CD1 3.4Å; W183-F186 HydrophobicContact CZ3-CD1 3.4Å; W183-F186 VanDerWaalsContact CZ3-CD1 3.4Å; W183-F186 AromaticContact CZ3-CE1 3.69Å; W183-F186 HydrophobicContact CZ3-CE1 3.69Å; W183-F186 HydrophobicContact CZ3-CG 4.09Å; W183-F186 WeakPolarHBondContact O-CB 3.33Å; W183-F186 PolarHBondContact O-N 3.13Å; W183-C187 PolarHBondContact NE1-SG 3.1Å; W183-C187 PolarHBondContact O-N 2.96Å; W183-C187 PolarHBondContact O-SG 3.12Å
184T94.7Very high95.3Very high24 Ų2441.7 Ų41.715%0.14722%0.22CC..Hα-helixtrans-55.1-45.5172.5-51.90000110.9S178 T182 F186 C187 Q188 L232S178-T184 VanDerWaalsContact OG-C 3.27Å; S178-T184 WeakPolarHBondContact OG-CB 3.43Å; S178-T184 WeakPolarHBondContact OG-CG2 3.45Å; T182-T184 VanDerWaalsContact C-N 3.27Å; T182-T184 PolarHBondContact O-N 3.33Å; T184-F186 VanDerWaalsContact C-N 3.33Å; T184-F186 PolarHBondContact O-N 3.19Å; T184-C187 PolarHBondContact O-N 3.22Å; T184-Q188 HydrophobicContact CG2-CG 4.49Å; T184-Q188 WeakPolarHBondContact O-CG 3.32Å; T184-Q188 PolarHBondContact O-N 3.37Å; T184-L232 HydrophobicContact CG2-CD1 4.12Å; T184-L232 HydrophobicContact CG2-CG 4.27Å; T184-L232 VanDerWaalsContact CG2-O 3.29Å; T184-L232 WeakPolarHBondContact CG2-O 3.43Å; T184-L232 WeakPolarHBondContact OG1-CD1 3.41Å
185H95.7Very high95.1Very high31 Ų3144.7 Ų44.714%0.14423%0.231CC..Hα-helixtrans-65.6-40.2-179.2179.390.7000111.4V177 S178 D179 T182 W183 C187 Q188 Y189V177-H185 WeakPolarHBondContact CG2-ND1 3.5Å; S178-H185 PolarHBondContact O-ND1 3.44Å; S178-H185 WeakPolarHBondContact OG-CA 3.38Å; S178-H185 WeakPolarHBondContact OG-CB 3.45Å; S178-H185 PolarHBondContact OG-N 3.28Å; D179-H185 WeakPolarHBondContact O-CB 3.2Å; T182-H185 PolarHBondContact O-N 3.3Å; T182-H185 PolarHBondContact OG1-N 3.45Å; W183-H185 VanDerWaalsContact C-N 3.27Å; W183-H185 PolarHBondContact O-N 2.85Å; H185-C187 PolarHBondContact O-N 3.45Å; H185-Q188 PolarHBondContact O-N 3.49Å; H185-Y189 WeakPolarHBondContact O-CB 3.29Å; H185-Y189 PolarHBondContact O-N 3.14Å
186F95.3Very high94.9Very high16 Ų1645.5 Ų45.57%0.0724%0.237CC..Hα-helixtrans-57.6-49.8173.1169.9-112.3000112M1 F5 M6 C9 T182 W183 T184 Y189 V190M1-F186 HydrophobicContact CE-CB 3.67Å; M1-F186 HydrophobicContact CE-CD1 3.83Å; M1-F186 HydrophobicContact CE-CD2 2.91Å; M1-F186 HydrophobicContact CE-CE1 4.14Å; M1-F186 HydrophobicContact CE-CE2 3.22Å; M1-F186 HydrophobicContact CE-CG 3.17Å; M1-F186 HydrophobicContact CE-CZ 3.84Å; M1-F186 HydrophobicContact SD-CB 4.16Å; M1-F186 HydrophobicContact SD-CD2 4.37Å; M1-F186 HydrophobicContact SD-CG 4.14Å; F5-F186 HydrophobicContact CE1-CZ 4.26Å; M6-F186 HydrophobicContact CB-CD2 4.35Å; M6-F186 HydrophobicContact CB-CE2 4.35Å; M6-F186 HydrophobicContact CE-CD2 4.08Å; M6-F186 HydrophobicContact CG-CD2 3.66Å; M6-F186 HydrophobicContact CG-CE2 3.85Å; M6-F186 HydrophobicContact SD-CD2 4.2Å; C9-F186 HydrophobicContact CB-CE2 4.42Å; C9-F186 HydrophobicContact CB-CZ 4.42Å; T182-F186 PolarHBondContact O-N 2.67Å; W183-F186 AromaticContact CD2-CD1 3.97Å; W183-F186 HydrophobicContact CD2-CD1 3.97Å; W183-F186 AromaticContact CE2-CD1 3.88Å; W183-F186 HydrophobicContact CE3-CB 4.23Å; W183-F186 AromaticContact CE3-CD1 3.7Å; W183-F186 HydrophobicContact CE3-CD1 3.7Å; W183-F186 HydrophobicContact CE3-CE1 4.42Å; W183-F186 HydrophobicContact CE3-CG 4.23Å; W183-F186 AromaticContact CH2-CD1 3.36Å; W183-F186 HydrophobicContact CH2-CD1 3.36Å; W183-F186 AromaticContact CH2-CE1 3.23Å; W183-F186 HydrophobicContact CH2-CE1 3.23Å; W183-F186 HydrophobicContact CH2-CG 4.42Å; W183-F186 HydrophobicContact CH2-CZ 4.2Å; W183-F186 AromaticContact CZ2-CD1 3.6Å; W183-F186 HydrophobicContact CZ2-CD1 3.6Å; W183-F186 AromaticContact CZ2-CE1 3.61Å; W183-F186 HydrophobicContact CZ2-CE1 3.61Å; W183-F186 AromaticContact CZ3-CD1 3.4Å; W183-F186 HydrophobicContact CZ3-CD1 3.4Å; W183-F186 VanDerWaalsContact CZ3-CD1 3.4Å; W183-F186 AromaticContact CZ3-CE1 3.69Å; W183-F186 HydrophobicContact CZ3-CE1 3.69Å; W183-F186 HydrophobicContact CZ3-CG 4.09Å; W183-F186 WeakPolarHBondContact O-CB 3.33Å; W183-F186 PolarHBondContact O-N 3.13Å; T184-F186 VanDerWaalsContact C-N 3.33Å; T184-F186 PolarHBondContact O-N 3.19Å; F186-Y189 PolarHBondContact O-N 3.47Å; F186-V190 HydrophobicContact CD2-CG2 3.63Å; F186-V190 HydrophobicContact CE2-CB 4.48Å; F186-V190 HydrophobicContact CE2-CG2 3.31Å; F186-V190 HydrophobicContact CG-CG2 4.46Å; F186-V190 HydrophobicContact CZ-CG2 3.81Å; F186-V190 WeakPolarHBondContact O-CB 3.43Å; F186-V190 WeakPolarHBondContact O-CG2 3.22Å; F186-V190 PolarHBondContact O-N 3.38Å
187C95.3Very high94.5Very high11 Ų1146.1 Ų46.17%0.07424%0.24CC..Hα-helixtrans-60.8-46.3178.2-68.60000111.6W183 T184 H185 Y189 V190 F191 L232 M233W183-C187 PolarHBondContact NE1-SG 3.1Å; W183-C187 PolarHBondContact O-N 2.96Å; W183-C187 PolarHBondContact O-SG 3.12Å; T184-C187 PolarHBondContact O-N 3.22Å; H185-C187 PolarHBondContact O-N 3.45Å; C187-Y189 PolarHBondContact O-N 2.77Å; C187-V190 PolarHBondContact O-N 3.07Å; C187-F191 HydrophobicContact CB-CD2 4.23Å; C187-F191 WeakPolarHBondContact O-CB 3.49Å; C187-F191 WeakPolarHBondContact O-CD2 3.29Å; C187-F191 PolarHBondContact O-N 2.95Å; C187-L232 HydrophobicContact CB-CD2 4.36Å; C187-M233 VanDerWaalsContact C-SD 3.56Å; C187-M233 HydrophobicContact CB-SD 3.86Å
188Q96.5Very high94.1Very high0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-54.5-52.4175.5-74.8180-39.700110.8V176 S178 T184 H185 V190 E192 V204 T205 M233V176-Q188 PolarHBondContact O-NE2 2.78Å; S178-Q188 PolarHBondContact OG-OE1 3.34Å; T184-Q188 HydrophobicContact CG2-CG 4.49Å; T184-Q188 WeakPolarHBondContact O-CG 3.32Å; T184-Q188 PolarHBondContact O-N 3.37Å; H185-Q188 PolarHBondContact O-N 3.49Å; Q188-V190 PolarHBondContact O-N 3.39Å; Q188-E192 WeakPolarHBondContact O-CB 3.24Å; Q188-E192 PolarHBondContact O-N 3.42Å; Q188-V204 HydrophobicContact CB-CB 4.37Å; Q188-V204 HydrophobicContact CB-CG2 3.91Å; Q188-V204 HydrophobicContact CG-CB 4.12Å; Q188-V204 HydrophobicContact CG-CG2 4.14Å; Q188-V204 PolarHBondContact NE2-O 2.77Å; Q188-V204 WeakPolarHBondContact O-CG2 3.5Å; Q188-T205 HydrophobicContact CB-CG2 4.08Å; Q188-M233 WeakPolarHBondContact CG-O 3.42Å; Q188-M233 PolarHBondContact NE2-O 3.38Å
189Y95.7Very high93.7Very high63 Ų6350.7 Ų50.725%0.24727%0.267CS..Hα-helixtrans-64.6-41.3-176.9-175.4-95.1000113.8M6 R10 H185 F186 C187M6-Y189 HydrophobicContact CB-CD1 4.46Å; M6-Y189 HydrophobicContact CE-CD1 4.1Å; M6-Y189 HydrophobicContact CE-CG 4.29Å; R10-Y189 HydrophobicContact CB-CD1 4.21Å; R10-Y189 HydrophobicContact CB-CE1 3.9Å; R10-Y189 VanDerWaalsContact CD-CZ 3.49Å; R10-Y189 WeakPolarHBondContact CD-O 3.48Å; R10-Y189 HydrophobicContact CG-CE1 4.23Å; R10-Y189 PolarHBondContact NH1-O 3.08Å; H185-Y189 WeakPolarHBondContact O-CB 3.29Å; H185-Y189 PolarHBondContact O-N 3.14Å; F186-Y189 PolarHBondContact O-N 3.47Å; C187-Y189 PolarHBondContact O-N 2.77Å
190V95.9Very high93.5Very high6 Ų648.1 Ų48.14%0.03625%0.253CS..Hα-helixtrans-75.7-44.5-176.3168.50000111.8C9 C13 F186 C187 Q188 P193C9-V190 HydrophobicContact CB-CB 4.49Å; C9-V190 HydrophobicContact CB-CG1 3.87Å; C9-V190 HydrophobicContact CB-CG2 3.71Å; C13-V190 HydrophobicContact CB-CG1 4.38Å; C13-V190 VanDerWaalsContact CB-O 3.26Å; C13-V190 WeakPolarHBondContact CB-O 3.45Å; C13-V190 PolarHBondContact SG-O 2.89Å; C13-V190 VanDerWaalsContact SG-O 3.38Å; F186-V190 HydrophobicContact CD2-CG2 3.63Å; F186-V190 HydrophobicContact CE2-CB 4.48Å; F186-V190 HydrophobicContact CE2-CG2 3.31Å; F186-V190 HydrophobicContact CG-CG2 4.46Å; F186-V190 HydrophobicContact CZ-CG2 3.81Å; F186-V190 WeakPolarHBondContact O-CB 3.43Å; F186-V190 WeakPolarHBondContact O-CG2 3.22Å; F186-V190 PolarHBondContact O-N 3.38Å; C187-V190 PolarHBondContact O-N 3.07Å; Q188-V190 PolarHBondContact O-N 3.39Å; V190-P193 WeakPolarHBondContact O-CD 2.96Å
191F95.9Very high93.4Very high96 Ų9644.4 Ų44.442%0.42123%0.233SC..Hα-helixtrans-93.1-3.4-172.9-62.5-65.4000113.8C187 P193 L194 W195 M233C187-F191 HydrophobicContact CB-CD2 4.23Å; C187-F191 WeakPolarHBondContact O-CB 3.49Å; C187-F191 WeakPolarHBondContact O-CD2 3.29Å; C187-F191 PolarHBondContact O-N 2.95Å; F191-P193 VanDerWaalsContact C-CD 3.44Å; F191-P193 VanDerWaalsContact C-N 3.34Å; F191-L194 PolarHBondContact O-N 3.13Å; F191-L194 VanDerWaalsContact O-N 3.08Å; F191-W195 PolarHBondContact O-N 3.49Å; F191-M233 HydrophobicContact CB-CE 3.69Å; F191-M233 HydrophobicContact CB-SD 4.34Å
192E95.5Very high93.5Very high15 Ų1539.7 Ų39.77%0.0720%0.2CC..Hα-helixtrans-49.1-43.5176.7176173.775.700114.3R10 Q188 L194 W195 C196 V204 T205R10-E192 IonicContact CZ-OE1 3.2Å; R10-E192 IonicContact NH1-OE1 2.67Å; R10-E192 PolarHBondContact NH1-OE1 2.92Å; R10-E192 IonicContact NH2-OE1 2.76Å; R10-E192 PolarHBondContact NH2-OE1 2.76Å; Q188-E192 WeakPolarHBondContact O-CB 3.24Å; Q188-E192 PolarHBondContact O-N 3.42Å; E192-L194 VanDerWaalsContact C-N 3.31Å; E192-L194 PolarHBondContact O-N 2.83Å; E192-W195 PolarHBondContact O-N 3.24Å; E192-W195 VanDerWaalsContact O-N 3.14Å; E192-C196 VanDerWaalsContact O-CB 3.26Å; E192-C196 WeakPolarHBondContact O-CB 3.32Å; E192-C196 PolarHBondContact O-N 2.64Å; E192-V204 HydrophobicContact CB-CG2 3.96Å; E192-V204 HydrophobicContact CG-CG2 4.29Å; E192-V204 PolarHBondContact OE2-N 3.21Å; E192-T205 VanDerWaalsContact CD-OG1 3.24Å; E192-T205 PolarHBondContact OE1-OG1 3.05Å; E192-T205 VanDerWaalsContact OE2-CB 3.28Å; E192-T205 WeakPolarHBondContact OE2-CB 3.26Å; E192-T205 WeakPolarHBondContact OE2-CG2 3.26Å; E192-T205 PolarHBondContact OE2-N 2.78Å; E192-T205 PolarHBondContact OE2-OG1 3.45Å
193P94.5Very high93.6Very high7 Ų740.8 Ų40.85%0.04520%0.202CC..Hα-helixtrans-59.3-41178.2-25.535.8000113.2R10 F14 Y21 V190 F191 L197R10-P193 HydrophobicContact CG-CG 4.43Å; F14-P193 HydrophobicContact CB-CB 4.38Å; F14-P193 HydrophobicContact CB-CG 4.24Å; F14-P193 HydrophobicContact CD2-CB 4.12Å; F14-P193 HydrophobicContact CD2-CG 4.39Å; Y21-P193 PolarHBondContact OH-O 3.42Å; V190-P193 WeakPolarHBondContact O-CD 2.96Å; F191-P193 VanDerWaalsContact C-CD 3.44Å; F191-P193 VanDerWaalsContact C-N 3.34Å; P193-L197 PolarHBondContact O-N 2.74Å
194L93.6Very high93.8Very high51 Ų5133.3 Ų33.327%0.26717%0.174SC..Hα-helixtrans-71.3-39.6175.7-178.260.8000111.1S17 F191 E192 L197 L198S17-L194 WeakPolarHBondContact OG-CA 3.41Å; S17-L194 WeakPolarHBondContact OG-CB 3.5Å; F191-L194 PolarHBondContact O-N 3.13Å; F191-L194 VanDerWaalsContact O-N 3.08Å; E192-L194 VanDerWaalsContact C-N 3.31Å; E192-L194 PolarHBondContact O-N 2.83Å; L194-L197 WeakPolarHBondContact O-CB 3.45Å; L194-L197 PolarHBondContact O-N 3.43Å; L194-L198 HydrophobicContact CD1-CD1 4.33Å; L194-L198 HydrophobicContact CG-CD1 4.12Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.09Å
195W94.1Very high93.8Very high64 Ų6434.1 Ų34.124%0.24218%0.179CC..Hα-helixtrans-63.3-44178.7-171-83000112.2F191 E192 L197 L198 G199 C202 V204 M233 I234F191-W195 PolarHBondContact O-N 3.49Å; E192-W195 PolarHBondContact O-N 3.24Å; E192-W195 VanDerWaalsContact O-N 3.14Å; W195-L197 PolarHBondContact O-N 3.11Å; W195-L198 PolarHBondContact O-N 3.08Å; W195-L198 VanDerWaalsContact O-N 3.08Å; W195-G199 WeakPolarHBondContact O-CA 3.28Å; W195-G199 PolarHBondContact O-N 3.03Å; W195-C202 PolarHBondContact NE1-SG 3.32Å; W195-V204 VanDerWaalsContact CD1-CG1 3.45Å; W195-V204 HydrophobicContact CD2-CG1 3.98Å; W195-V204 HydrophobicContact CG-CG1 3.82Å; W195-V204 HydrophobicContact CZ2-CG1 4.48Å; W195-M233 HydrophobicContact CB-CE 4.36Å; W195-M233 HydrophobicContact CD2-CB 4.35Å; W195-M233 HydrophobicContact CD2-CE 4.43Å; W195-M233 HydrophobicContact CE3-CB 3.82Å; W195-M233 HydrophobicContact CE3-CE 4.14Å; W195-M233 HydrophobicContact CE3-CG 3.82Å; W195-M233 HydrophobicContact CH2-CB 3.87Å; W195-M233 HydrophobicContact CZ2-CB 4.39Å; W195-M233 HydrophobicContact CZ3-CB 3.56Å; W195-M233 HydrophobicContact CZ3-CG 3.72Å; W195-I234 HydrophobicContact CH2-CG2 4.08Å; W195-I234 HydrophobicContact CZ2-CG2 3.44Å; W195-I234 VanDerWaalsContact CZ2-CG2 3.44Å
196C92.2Very high93.9Very high23 Ų2334.2 Ų34.216%0.15518%0.178CC..Hα-helixtrans-59.2-36.2178.2-179.30000111.5Y21 E192 D200 G201 C202Y21-C196 WeakPolarHBondContact OH-CB 3.42Å; E192-C196 VanDerWaalsContact O-CB 3.26Å; E192-C196 WeakPolarHBondContact O-CB 3.32Å; E192-C196 PolarHBondContact O-N 2.64Å; C196-D200 PolarHBondContact O-N 3.37Å; C196-G201 PolarHBondContact O-N 2.82Å; C196-C202 VanDerWaalsContact CA-O 3.29Å; C196-C202 WeakPolarHBondContact CA-O 3.46Å
197L88.8Confident94Very high16 Ų1634.4 Ų34.48%0.08418%0.183CC..Hα-helixtrans-65.9-46.8173-174.880.2000112.3F20 Q24 Y32 P193 L194 W195F20-L197 HydrophobicContact CB-CD1 3.81Å; F20-L197 HydrophobicContact CB-CD2 3.37Å; F20-L197 HydrophobicContact CB-CG 4.24Å; F20-L197 HydrophobicContact CD1-CD2 4.38Å; F20-L197 HydrophobicContact CD2-CD2 4.22Å; F20-L197 HydrophobicContact CG-CD2 3.76Å; Q24-L197 HydrophobicContact CG-CD1 4.35Å; Q24-L197 VanDerWaalsContact NE2-CD1 3.26Å; Y32-L197 PolarHBondContact OH-O 3.32Å; Y32-L197 VanDerWaalsContact OH-O 3.07Å; P193-L197 PolarHBondContact O-N 2.74Å; L194-L197 WeakPolarHBondContact O-CB 3.45Å; L194-L197 PolarHBondContact O-N 3.43Å; W195-L197 PolarHBondContact O-N 3.11Å
198L89.4Confident94.1Very high115 Ų11533.9 Ų33.960%0.60218%0.179SC*.Hα-helixtrans-78.4-29.3-174.5-64.7174.9000113.6Y32 L194 W195Y32-L198 PolarHBondContact OH-O 3.13Å; Y32-L198 VanDerWaalsContact OH-O 3.09Å; L194-L198 HydrophobicContact CD1-CD1 4.33Å; L194-L198 HydrophobicContact CG-CD1 4.12Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.09Å; W195-L198 PolarHBondContact O-N 3.08Å; W195-L198 VanDerWaalsContact O-N 3.08Å
199G88.7Confident94.2Very high20 Ų2036 Ų3621%0.20619%0.187CC..THydrogen-bonded Turntrans-98.522-17900000113.1W195 G201 C202W195-G199 WeakPolarHBondContact O-CA 3.28Å; W195-G199 PolarHBondContact O-N 3.03Å; G199-G201 VanDerWaalsContact C-N 3.32Å; G199-G201 PolarHBondContact O-N 3.07Å; G199-C202 VanDerWaalsContact O-CB 3.22Å; G199-C202 WeakPolarHBondContact O-CB 3.34Å; G199-C202 PolarHBondContact O-N 3.24Å; G199-C202 VanDerWaalsContact O-N 3.13Å
200D89.8Confident94.3Very high40 Ų4039 Ų3921%0.21420%0.202CC..THydrogen-bonded Turntrans52.643.9174.7-166.332.9000114.4Y32 K33 F36 C196Y32-D200 HydrophobicContact CE1-CB 4Å; Y32-D200 WeakPolarHBondContact CE1-OD1 3.19Å; Y32-D200 PolarHBondContact OH-N 2.79Å; K33-D200 VanDerWaalsContact CE-OD1 3.23Å; K33-D200 WeakPolarHBondContact CE-OD1 3.37Å; K33-D200 IonicContact NZ-OD1 3.51Å; K33-D200 PolarHBondContact NZ-OD1 2.86Å; K33-D200 IonicContact NZ-OD2 2.9Å; K33-D200 PolarHBondContact NZ-OD2 2.96Å; F36-D200 HydrophobicContact CD1-CB 4.12Å; F36-D200 HydrophobicContact CD2-CB 3.93Å; F36-D200 HydrophobicContact CE1-CB 3.76Å; F36-D200 HydrophobicContact CE2-CB 3.55Å; F36-D200 HydrophobicContact CG-CB 4.19Å; F36-D200 HydrophobicContact CZ-CB 3.45Å; F36-D200 VanDerWaalsContact CZ-CB 3.45Å; C196-D200 PolarHBondContact O-N 3.37Å
201G91Very high94.4Very high21 Ų2141.5 Ų41.522%0.21622%0.215CC..THydrogen-bonded Turntrans105.6-9.9179.700000114.6C196 G199 M203C196-G201 PolarHBondContact O-N 2.82Å; G199-G201 VanDerWaalsContact C-N 3.32Å; G199-G201 PolarHBondContact O-N 3.07Å; G201-M203 PolarHBondContact O-N 3.31Å
202C94.6Very high94.5Very high8 Ų837 Ų375%0.05420%0.195CC..  trans-53.1123.8-178.6178.30000113.9C148 S149 H175 W195 C196 G199C148-C202 VanDerWaalsContact SG-SG 3.7Å; S149-C202 VanDerWaalsContact OG-CA 3.29Å; S149-C202 WeakPolarHBondContact OG-CA 3.4Å; S149-C202 WeakPolarHBondContact OG-CB 3.47Å; S149-C202 PolarHBondContact OG-N 3.13Å; H175-C202 PolarHBondContact CE1-SG 3.47Å; H175-C202 PolarHBondContact NE2-SG 2.81Å; W195-C202 PolarHBondContact NE1-SG 3.32Å; C196-C202 VanDerWaalsContact CA-O 3.29Å; C196-C202 WeakPolarHBondContact CA-O 3.46Å; G199-C202 VanDerWaalsContact O-CB 3.22Å; G199-C202 WeakPolarHBondContact O-CB 3.34Å; G199-C202 PolarHBondContact O-N 3.24Å; G199-C202 VanDerWaalsContact O-N 3.13Å
203M96.2Very high94.6Very high72 Ų7242 Ų4236%0.35522%0.218SC..  trans-107.1108.8175.3-60.1-170.2-170.800110.8C148 G201 T205 R206C148-M203 PolarHBondContact O-N 2.95Å; G201-M203 PolarHBondContact O-N 3.31Å; M203-T205 VanDerWaalsContact C-N 3.3Å; M203-T205 PolarHBondContact O-N 3.13Å; M203-R206 HydrophobicContact CB-CB 4.41Å; M203-R206 WeakPolarHBondContact O-CB 3.29Å; M203-R206 PolarHBondContact O-N 3.19Å; M203-R206 PolarHBondContact SD-NH2 3.04Å
204V95.9Very high94.8Very high0 Ų045.7 Ų45.70%025%0.249CC..THydrogen-bonded Turntrans-77.1-13.9-178.1-690000113.8Q188 E192 W195 R206 M233 I234Q188-V204 HydrophobicContact CB-CB 4.37Å; Q188-V204 HydrophobicContact CB-CG2 3.91Å; Q188-V204 HydrophobicContact CG-CB 4.12Å; Q188-V204 HydrophobicContact CG-CG2 4.14Å; Q188-V204 PolarHBondContact NE2-O 2.77Å; Q188-V204 WeakPolarHBondContact O-CG2 3.5Å; E192-V204 HydrophobicContact CB-CG2 3.96Å; E192-V204 HydrophobicContact CG-CG2 4.29Å; E192-V204 PolarHBondContact OE2-N 3.21Å; W195-V204 VanDerWaalsContact CD1-CG1 3.45Å; W195-V204 HydrophobicContact CD2-CG1 3.98Å; W195-V204 HydrophobicContact CG-CG1 3.82Å; W195-V204 HydrophobicContact CZ2-CG1 4.48Å; V204-R206 VanDerWaalsContact C-N 3.34Å; V204-M233 HydrophobicContact CG1-CB 4.5Å; V204-M233 HydrophobicContact CG2-CE 3.84Å; V204-I234 HydrophobicContact CG1-CG2 4.05Å
205T96.4Very high95Very high41 Ų4144 Ų4425%0.25224%0.243SC..THydrogen-bonded Turntrans-93.410.3175.468.80000113.7V177 Q188 E192 M203V177-T205 WeakPolarHBondContact CB-O 3.44Å; Q188-T205 HydrophobicContact CB-CG2 4.08Å; E192-T205 VanDerWaalsContact CD-OG1 3.24Å; E192-T205 PolarHBondContact OE1-OG1 3.05Å; E192-T205 VanDerWaalsContact OE2-CB 3.28Å; E192-T205 WeakPolarHBondContact OE2-CB 3.26Å; E192-T205 WeakPolarHBondContact OE2-CG2 3.26Å; E192-T205 PolarHBondContact OE2-N 2.78Å; E192-T205 PolarHBondContact OE2-OG1 3.45Å; M203-T205 VanDerWaalsContact C-N 3.3Å; M203-T205 PolarHBondContact O-N 3.13Å
206R96.2Very high95.1Very high34 Ų3443 Ų4313%0.12825%0.253CS..  trans-76.1136.2178.8-158.6171.7-68.3-171.3-4.7111.4L147 V150 V153 V176 V177 M203 V204 T208L147-R206 WeakPolarHBondContact O-CD 3.44Å; L147-R206 PolarHBondContact O-NH1 3.48Å; V150-R206 PolarHBondContact O-NH1 3.42Å; V150-R206 PolarHBondContact O-NH2 3.42Å; V153-R206 VanDerWaalsContact CG2-NH1 3.31Å; V176-R206 CarbonylContact C-O 3.49Å; V176-R206 WeakPolarHBondContact CA-O 3.39Å; V177-R206 PolarHBondContact N-O 2.94Å; M203-R206 HydrophobicContact CB-CB 4.41Å; M203-R206 WeakPolarHBondContact O-CB 3.29Å; M203-R206 PolarHBondContact O-N 3.19Å; M203-R206 PolarHBondContact SD-NH2 3.04Å; V204-R206 VanDerWaalsContact C-N 3.34Å; R206-T208 HydrophobicContact CB-CG2 4.2Å; R206-T208 HydrophobicContact CG-CG2 3.69Å
207A97.3Very high95.4Very high20 Ų2043.1 Ų43.117%0.16525%0.251CS..  trans-102.660.3177.200000110.6V177 W209 K210V177-A207 HydrophobicContact CG1-CB 3.9Å; A207-W209 HydrophobicContact CB-CD2 4.13Å; A207-W209 HydrophobicContact CB-CE3 3.97Å; A207-W209 HydrophobicContact CB-CH2 3.55Å; A207-W209 HydrophobicContact CB-CZ2 3.68Å; A207-W209 HydrophobicContact CB-CZ3 3.7Å; A207-W209 PolarHBondContact O-N 3.49Å; A207-K210 HydrophobicContact CB-CD 4.16Å; A207-K210 HydrophobicContact CB-CG 4.29Å; A207-K210 WeakPolarHBondContact O-CB 3.5Å; A207-K210 PolarHBondContact O-N 3.29Å
208T97.6Very high95.8Very high0 Ų046 Ų460%028%0.277CS..Hα-helixtrans-59.5-18.4-169.852.10000114.4L147 V176 R206 K210 D211 L212 I238L147-T208 HydrophobicContact CB-CG2 3.9Å; V176-T208 WeakPolarHBondContact CG1-OG1 3.48Å; R206-T208 HydrophobicContact CB-CG2 4.2Å; R206-T208 HydrophobicContact CG-CG2 3.69Å; T208-K210 VanDerWaalsContact C-N 3.26Å; T208-K210 PolarHBondContact O-N 3.46Å; T208-D211 WeakPolarHBondContact CA-OD2 3.48Å; T208-D211 PolarHBondContact O-N 3.28Å; T208-L212 WeakPolarHBondContact O-CG 3.33Å; T208-L212 PolarHBondContact O-N 2.84Å; T208-I238 WeakPolarHBondContact OG1-CD1 3.44Å
209W98.2Very high96.2Very high45 Ų4545.2 Ų45.217%0.1727%0.27CS..Hα-helixtrans-60.6-35.71726990.3000112.3V176 V177 A207 D211 L212 E213 L222 H224 I238V176-W209 HydrophobicContact CB-CE3 3.7Å; V176-W209 HydrophobicContact CB-CZ3 3.55Å; V176-W209 HydrophobicContact CG1-CE3 3.94Å; V176-W209 HydrophobicContact CG1-CZ3 4.31Å; V176-W209 HydrophobicContact CG2-CE3 3.83Å; V176-W209 HydrophobicContact CG2-CZ3 3.58Å; V177-W209 HydrophobicContact CG1-CH2 3.44Å; V177-W209 VanDerWaalsContact CG1-CH2 3.44Å; V177-W209 HydrophobicContact CG1-CZ3 3.77Å; A207-W209 HydrophobicContact CB-CD2 4.13Å; A207-W209 HydrophobicContact CB-CE3 3.97Å; A207-W209 HydrophobicContact CB-CH2 3.55Å; A207-W209 HydrophobicContact CB-CZ2 3.68Å; A207-W209 HydrophobicContact CB-CZ3 3.7Å; A207-W209 PolarHBondContact O-N 3.49Å; W209-D211 VanDerWaalsContact C-N 3.34Å; W209-L212 PolarHBondContact O-N 3.31Å; W209-E213 VanDerWaalsContact O-CG 3.26Å; W209-E213 WeakPolarHBondContact O-CG 3.04Å; W209-E213 PolarHBondContact O-N 3.01Å; W209-L222 HydrophobicContact CB-CD1 3.67Å; W209-L222 HydrophobicContact CB-CD2 4.47Å; W209-H224 AromaticContact CD2-CE1 3.8Å; W209-H224 AromaticContact CE3-CE1 3.89Å; W209-I238 HydrophobicContact CB-CD1 3.83Å; W209-I238 HydrophobicContact CB-CG2 4.22Å
210K98.3Very high96.7Very high126 Ų12647.2 Ų47.255%0.54828%0.275SS..Hα-helixtrans-66.8-38.6177.1-62.3-173.7177.8-177.80111.5A207 T208 L212 E213 A214A207-K210 HydrophobicContact CB-CD 4.16Å; A207-K210 HydrophobicContact CB-CG 4.29Å; A207-K210 WeakPolarHBondContact O-CB 3.5Å; A207-K210 PolarHBondContact O-N 3.29Å; T208-K210 VanDerWaalsContact C-N 3.26Å; T208-K210 PolarHBondContact O-N 3.46Å; K210-L212 VanDerWaalsContact C-N 3.35Å; K210-E213 PolarHBondContact O-N 2.84Å; K210-A214 WeakPolarHBondContact O-CB 3.41Å; K210-A214 PolarHBondContact O-N 3.16Å
211D98.3Very high97.1Very high58 Ų5848.9 Ų48.931%0.3128%0.282SS..Hα-helixtrans-66.7-40.6176.8-56.6-57.5000110.4V153 L157 T208 W209 A214 A215V153-D211 HydrophobicContact CB-CB 4.29Å; V153-D211 HydrophobicContact CG1-CB 3.48Å; V153-D211 VanDerWaalsContact CG1-CB 3.48Å; L157-D211 HydrophobicContact CD1-CB 4.06Å; T208-D211 WeakPolarHBondContact CA-OD2 3.48Å; T208-D211 PolarHBondContact O-N 3.28Å; W209-D211 VanDerWaalsContact C-N 3.34Å; D211-A214 CarbonylContact O-C 3.6Å; D211-A214 PolarHBondContact O-N 3.32Å; D211-A215 WeakPolarHBondContact O-CB 3.39Å; D211-A215 PolarHBondContact O-N 3.07Å
212L98.4Very high97.4Very high2 Ų249.9 Ų49.91%0.0128%0.282CS..Hα-helixtrans-65.4-39.4175.1-72162.7000112.8L147 L157 L170 F172 T208 W209 K210 A214 A215 L220 L222 I238L147-L212 HydrophobicContact CD1-CD2 4.28Å; L147-L212 HydrophobicContact CD1-CG 4.43Å; L157-L212 HydrophobicContact CD1-CD2 4.25Å; L157-L212 HydrophobicContact CD2-CD2 3.81Å; L170-L212 HydrophobicContact CD2-CD2 4.13Å; F172-L212 HydrophobicContact CD1-CD1 4.03Å; F172-L212 HydrophobicContact CD1-CD2 3.9Å; F172-L212 HydrophobicContact CD2-CD1 3.62Å; F172-L212 HydrophobicContact CE1-CD1 4.03Å; F172-L212 HydrophobicContact CE1-CD2 4.14Å; F172-L212 HydrophobicContact CE2-CD1 3.63Å; F172-L212 HydrophobicContact CG-CD1 3.83Å; F172-L212 HydrophobicContact CG-CD2 4.3Å; F172-L212 HydrophobicContact CZ-CD1 3.84Å; T208-L212 WeakPolarHBondContact O-CG 3.33Å; T208-L212 PolarHBondContact O-N 2.84Å; W209-L212 PolarHBondContact O-N 3.31Å; K210-L212 VanDerWaalsContact C-N 3.35Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A215 WeakPolarHBondContact O-CB 3.26Å; L212-A215 PolarHBondContact O-N 3.43Å; L212-L220 HydrophobicContact CB-CD1 4.43Å; L212-L222 HydrophobicContact CD1-CD1 4.31Å; L212-I238 HydrophobicContact CD1-CD1 3.63Å
213E98.3Very high97.6Very high119 Ų11954.5 Ų54.556%0.55630%0.301SS*.Hα-helixtrans-62.1-39.2172.9-74.4165.7179.100111.7W209 K210 L220W209-E213 VanDerWaalsContact O-CG 3.26Å; W209-E213 WeakPolarHBondContact O-CG 3.04Å; W209-E213 PolarHBondContact O-N 3.01Å; K210-E213 PolarHBondContact O-N 2.84Å; E213-L220 HydrophobicContact CB-CD2 4.35Å; E213-L220 HydrophobicContact CG-CD2 3.7Å
214A98.1Very high97.6Very high84 Ų8456.3 Ų56.369%0.69431%0.308SS*.Hα-helixtrans-83.1-10.4-179.800000114K210 D211 L212 G216K210-A214 WeakPolarHBondContact O-CB 3.41Å; K210-A214 PolarHBondContact O-N 3.16Å; D211-A214 CarbonylContact O-C 3.6Å; D211-A214 PolarHBondContact O-N 3.32Å; L212-A214 VanDerWaalsContact C-N 3.32Å; A214-G216 PolarHBondContact O-N 3.17Å; A214-G216 VanDerWaalsContact O-N 3.1Å
215A97.1Very high97.6Very high16 Ų1657.8 Ų57.813%0.13232%0.316CS..THydrogen-bonded Turntrans-68.7-10.6-172.100000114.6L157 R161 D211 L212 F217L157-A215 HydrophobicContact CB-CB 3.99Å; L157-A215 HydrophobicContact CD1-CB 3.79Å; L157-A215 HydrophobicContact CG-CB 4.39Å; R161-A215 WeakPolarHBondContact CD-O 3.48Å; R161-A215 PolarHBondContact NH1-O 2.93Å; D211-A215 WeakPolarHBondContact O-CB 3.39Å; D211-A215 PolarHBondContact O-N 3.07Å; L212-A215 WeakPolarHBondContact O-CB 3.26Å; L212-A215 PolarHBondContact O-N 3.43Å; A215-F217 HydrophobicContact CB-CD2 3.73Å; A215-F217 HydrophobicContact CB-CE2 3.83Å
216G96.9Very high97.5Very high44 Ų4461.6 Ų61.645%0.45433%0.331SS..  trans74.324172.800000115.2R161 A214R161-G216 VanDerWaalsContact CZ-C 3.46Å; R161-G216 VanDerWaalsContact NH1-C 3.3Å; R161-G216 PolarHBondContact NH1-O 3.45Å; R161-G216 PolarHBondContact NH2-O 2.79Å; A214-G216 PolarHBondContact O-N 3.17Å; A214-G216 VanDerWaalsContact O-N 3.1Å
217F98.3Very high97.3Very high25 Ų2560.3 Ų60.311%0.1133%0.327CS..  trans-64.5151.3165.5-73.5-84.8000110.9R161 L164 L170 A215 E219 I243 K244R161-F217 HydrophobicContact CG-CD1 4Å; R161-F217 HydrophobicContact CG-CD2 4.28Å; R161-F217 HydrophobicContact CG-CE1 3.43Å; R161-F217 VanDerWaalsContact CG-CE1 3.43Å; R161-F217 HydrophobicContact CG-CE2 3.73Å; R161-F217 HydrophobicContact CG-CG 4.4Å; R161-F217 HydrophobicContact CG-CZ 3.27Å; L164-F217 HydrophobicContact CD1-CE1 3.86Å; L164-F217 HydrophobicContact CD1-CZ 4.47Å; L170-F217 HydrophobicContact CB-CE1 3.94Å; L170-F217 HydrophobicContact CB-CE2 4.47Å; L170-F217 HydrophobicContact CB-CZ 3.68Å; L170-F217 HydrophobicContact CD2-CE2 3.71Å; L170-F217 HydrophobicContact CD2-CZ 3.55Å; L170-F217 HydrophobicContact CG-CZ 4.26Å; A215-F217 HydrophobicContact CB-CD2 3.73Å; A215-F217 HydrophobicContact CB-CE2 3.83Å; F217-E219 VanDerWaalsContact C-N 3.35Å; F217-I243 WeakPolarHBondContact CB-O 3.28Å; F217-K244 HydrophobicContact CD1-CB 4.48Å
218A97.9Very high96.8Very high77 Ų7763.4 Ų63.464%0.63635%0.346SS*.SBendtrans-67.1-36.6179.500000112.4I243A218-I243 PolarHBondContact N-O 3.09Å
219E98Very high96.2Very high98 Ų9869.2 Ų69.246%0.45837%0.373SS..EExtended strand (participates in β ladder)trans-133.3145.9174.8-61.6-177.9-151.700111.2F217 H221 S242 I243F217-E219 VanDerWaalsContact C-N 3.35Å; E219-H221 IonicContact OE2-CD2 3.42Å; E219-H221 IonicContact OE2-CE1 2.78Å; E219-H221 IonicContact OE2-NE2 2.83Å; E219-H221 PolarHBondContact OE2-NE2 3.09Å; E219-S242 CarbonylContact O-C 3.55Å; E219-S242 WeakPolarHBondContact O-CA 3.34Å; E219-S242 WeakPolarHBondContact O-CB 3.35Å; E219-I243 HydrophobicContact CB-CB 4.14Å; E219-I243 HydrophobicContact CB-CD1 4.39Å; E219-I243 HydrophobicContact CB-CG1 4.3Å; E219-I243 PolarHBondContact N-O 3.43Å; E219-I243 PolarHBondContact O-N 3.06Å
220L98.4Very high95.8Very high61 Ų6167.6 Ų67.632%0.31937%0.368SS..EExtended strand (participates in β ladder)trans-129.7117.5173.9175.562.5000110.1F172 L212 E213 L222 S242F172-L220 HydrophobicContact CE1-CD1 3.89Å; F172-L220 HydrophobicContact CZ-CD1 3.88Å; L212-L220 HydrophobicContact CB-CD1 4.43Å; E213-L220 HydrophobicContact CB-CD2 4.35Å; E213-L220 HydrophobicContact CG-CD2 3.7Å; L220-L222 HydrophobicContact CD1-CB 4.04Å; L220-L222 HydrophobicContact CD1-CD1 4.46Å; L220-L222 HydrophobicContact CD2-CB 4.34Å; L220-L222 HydrophobicContact CD2-CD1 4.43Å; L220-L222 HydrophobicContact CG-CB 3.98Å; L220-S242 WeakPolarHBondContact CD1-OG 3.42Å
221H98.1Very high95.3Very high76 Ų7664.2 Ų64.235%0.35236%0.361SS..EExtended strand (participates in β ladder)trans-108.881.4176.4-64.1-106.4000108.8E219 G240 Y241E219-H221 IonicContact OE2-CD2 3.42Å; E219-H221 IonicContact OE2-CE1 2.78Å; E219-H221 IonicContact OE2-NE2 2.83Å; E219-H221 PolarHBondContact OE2-NE2 3.09Å; H221-G240 WeakPolarHBondContact O-CA 3.46Å; H221-Y241 HydrophobicContact CB-CD1 4.36Å; H221-Y241 HydrophobicContact CB-CD2 4.17Å; H221-Y241 HydrophobicContact CB-CE1 4.01Å; H221-Y241 HydrophobicContact CB-CE2 3.7Å; H221-Y241 HydrophobicContact CB-CG 4.43Å; H221-Y241 WeakPolarHBondContact CB-O 3.5Å; H221-Y241 AromaticContact CD2-CD2 3.92Å; H221-Y241 AromaticContact CD2-CE2 3.12Å; H221-Y241 WeakPolarHBondContact CD2-CE2 3.46Å; H221-Y241 AromaticContact CD2-CZ 3.67Å; H221-Y241 AromaticContact CG-CE2 3.35Å; H221-Y241 AromaticContact CG-CZ 3.4Å; H221-Y241 PolarHBondContact N-O 3.32Å; H221-Y241 AromaticContact ND1-CZ 3.76Å; H221-Y241 PolarHBondContact ND1-OH 3.19Å; H221-Y241 AromaticContact NE2-CE2 3.73Å; H221-Y241 PolarHBondContact O-N 3.13Å; H221-Y241 VanDerWaalsContact O-N 3.16Å
222L98.2Very high94.9Very high42 Ų4264.1 Ų64.122%0.2236%0.36CS..EExtended strand (participates in β ladder)trans-105.4137.4-174.8-173.9147.7000111.8F172 W209 L212 L220 I238F172-L222 HydrophobicContact CE2-CD1 4.07Å; F172-L222 HydrophobicContact CE2-CG 4.15Å; F172-L222 HydrophobicContact CZ-CB 4.13Å; F172-L222 HydrophobicContact CZ-CD1 4.03Å; F172-L222 HydrophobicContact CZ-CG 4.14Å; W209-L222 HydrophobicContact CB-CD1 3.67Å; W209-L222 HydrophobicContact CB-CD2 4.47Å; L212-L222 HydrophobicContact CD1-CD1 4.31Å; L220-L222 HydrophobicContact CD1-CB 4.04Å; L220-L222 HydrophobicContact CD1-CD1 4.46Å; L220-L222 HydrophobicContact CD2-CB 4.34Å; L220-L222 HydrophobicContact CD2-CD1 4.43Å; L220-L222 HydrophobicContact CG-CB 3.98Å; L222-I238 HydrophobicContact CD1-CD1 4.18Å; L222-I238 HydrophobicContact CD2-CG2 4.28Å; L222-I238 HydrophobicContact CG-CB 4.49Å
223K97.6Very high94.6Very high104 Ų10464.8 Ų64.845%0.45236%0.363SS..EExtended strand (participates in β ladder)trans-127.7134.8170.1-63-177.8-175.2179.10110.5E57 I225 I238 M239E57-K223 IonicContact OE1-NZ 3.88Å; E57-K223 PolarHBondContact OE1-NZ 3.38Å; K223-I225 HydrophobicContact CB-CG2 4.37Å; K223-I238 CarbonylContact O-C 3.58Å; K223-I238 VanDerWaalsContact O-CA 3.23Å; K223-I238 WeakPolarHBondContact O-CA 3.33Å; K223-M239 PolarHBondContact N-O 2.84Å; K223-M239 PolarHBondContact O-N 3.31Å
224H97.4Very high94.3Very high110 Ų11060.1 Ų60.151%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-81.1135.5162.5-74-103.3000109.6W209 H237W209-H224 AromaticContact CD2-CE1 3.8Å; W209-H224 AromaticContact CE3-CE1 3.89Å; H224-H237 WeakPolarHBondContact CA-O 3.44Å
225I95.9Very high94.1Very high32 Ų3259.9 Ų59.916%0.16432%0.323CS..EExtended strand (participates in β ladder)trans-138.8157.7179.368.7179.6000109.9L54 L173 K223 H237 M239L54-I225 HydrophobicContact CD1-CD1 3.68Å; L54-I225 HydrophobicContact CD2-CD1 3.8Å; L54-I225 HydrophobicContact CG-CD1 4.2Å; L173-I225 HydrophobicContact CD1-CD1 4.26Å; K223-I225 HydrophobicContact CB-CG2 4.37Å; I225-H237 HydrophobicContact CD1-CB 3.99Å; I225-H237 HydrophobicContact CG1-CB 3.54Å; I225-H237 PolarHBondContact N-O 3.27Å; I225-H237 PolarHBondContact O-N 3.13Å; I225-H237 VanDerWaalsContact O-O 3.08Å; I225-M239 HydrophobicContact CD1-CB 4.27Å; I225-M239 HydrophobicContact CD1-CG 3.86Å; I225-M239 HydrophobicContact CD1-SD 3.68Å; I225-M239 HydrophobicContact CG2-CG 4.24Å; I225-M239 HydrophobicContact CG2-SD 4.44Å
226E92.9Very high94.1Very high121 Ų12159.4 Ų59.457%0.56532%0.318SS*.EExtended strand (participates in β ladder)trans-107.6132.5169.5-71-70.5142.100108.8P228 R235E226-P228 VanDerWaalsContact C-CD 3.49Å; E226-P228 WeakPolarHBondContact O-CD 3.46Å; E226-R235 WeakPolarHBondContact OE2-CD 3.46Å; E226-R235 VanDerWaalsContact OE2-CG 3.24Å; E226-R235 WeakPolarHBondContact OE2-CG 3.43Å
227A91.4Very high94.1Very high6 Ų657.4 Ų57.45%0.0530%0.297CS..  trans-107.278.1173.700000109.7L54 E229 V230 R235 H237L54-A227 HydrophobicContact CD1-CB 4.25Å; A227-E229 PolarHBondContact O-N 2.91Å; A227-E229 VanDerWaalsContact O-N 3.08Å; A227-V230 HydrophobicContact CB-CG1 4.37Å; A227-V230 HydrophobicContact CB-CG2 3.86Å; A227-V230 WeakPolarHBondContact O-CG2 3.38Å; A227-V230 PolarHBondContact O-N 3.28Å; A227-V230 VanDerWaalsContact O-N 3.14Å; A227-R235 PolarHBondContact N-O 3.33Å; A227-H237 WeakPolarHBondContact CB-ND1 3.35Å
228P86.8Confident94.1Very high85 Ų8556.2 Ų56.255%0.55229%0.292SS*.THydrogen-bonded Turntrans-62.3-25.8-166.824.8-35.3000114.1E226 V230 R235E226-P228 VanDerWaalsContact C-CD 3.49Å; E226-P228 WeakPolarHBondContact O-CD 3.46Å; P228-V230 VanDerWaalsContact C-N 3.35Å; P228-R235 PolarHBondContact O-NH2 3.18Å
229E86.7Confident94.1Very high122 Ų12252.9 Ų52.957%0.5726%0.263SS*.THydrogen-bonded Turntrans-77.6-16.3-177.4-60.7178.4-150.600113.5K50 A227K50-E229 HydrophobicContact CB-CB 3.95Å; K50-E229 HydrophobicContact CD-CB 4.19Å; K50-E229 WeakPolarHBondContact CD-O 3.49Å; K50-E229 WeakPolarHBondContact CE-O 3.43Å; K50-E229 HydrophobicContact CG-CB 3.85Å; K50-E229 PolarHBondContact NZ-O 3.34Å; A227-E229 PolarHBondContact O-N 2.91Å; A227-E229 VanDerWaalsContact O-N 3.08Å
230V89.6Confident94.1Very high12 Ų1248.6 Ų48.67%0.07325%0.245CC..SBendtrans-86.6173.2174.7-53.10000112Y47 K50 T51 A227 P228 I234Y47-V230 HydrophobicContact CD2-CG1 3.91Å; Y47-V230 HydrophobicContact CE2-CG1 3.94Å; K50-V230 HydrophobicContact CB-CG1 4.18Å; K50-V230 HydrophobicContact CD-CG1 4.3Å; T51-V230 HydrophobicContact CG2-CG1 4.18Å; A227-V230 HydrophobicContact CB-CG1 4.37Å; A227-V230 HydrophobicContact CB-CG2 3.86Å; A227-V230 WeakPolarHBondContact O-CG2 3.38Å; A227-V230 PolarHBondContact O-N 3.28Å; A227-V230 VanDerWaalsContact O-N 3.14Å; P228-V230 VanDerWaalsContact C-N 3.35Å; V230-I234 HydrophobicContact CB-CD1 4.09Å; V230-I234 HydrophobicContact CB-CG1 4.23Å; V230-I234 HydrophobicContact CG2-CD1 4.07Å; V230-I234 HydrophobicContact CG2-CG1 3.79Å
231S87.9Confident94.1Very high55 Ų5547.3 Ų47.339%0.38524%0.236SC..  trans-55.4145.3177.2174.20000111.5M233 I234 R235S231-M233 PolarHBondContact O-N 2.79Å; S231-M233 VanDerWaalsContact O-N 3.1Å; S231-M233 PolarHBondContact OG-N 3.06Å; S231-I234 CarbonylContact O-C 3.59Å; S231-I234 PolarHBondContact O-N 3.41Å; S231-R235 PolarHBondContact O-N 3.45Å; S231-R235 VanDerWaalsContact O-N 3.11Å
232L90.1Very high94.1Very high55 Ų5543.7 Ų43.729%0.28822%0.219SC..G310 helixtrans-49.9-38.6176.6-176.366.7000112.2T184 C187 I234 R235T184-L232 HydrophobicContact CG2-CD1 4.12Å; T184-L232 HydrophobicContact CG2-CG 4.27Å; T184-L232 VanDerWaalsContact CG2-O 3.29Å; T184-L232 WeakPolarHBondContact CG2-O 3.43Å; T184-L232 WeakPolarHBondContact OG1-CD1 3.41Å; C187-L232 HydrophobicContact CB-CD2 4.36Å; L232-I234 PolarHBondContact O-N 3.03Å; L232-R235 PolarHBondContact O-N 3.37Å
233M91.4Very high94.1Very high16 Ų1643 Ų438%0.07922%0.216CC..G310 helixtrans-62.1-28.3-177-66.5-64.2-73.200114.2C187 Q188 F191 W195 V204 S231C187-M233 VanDerWaalsContact C-SD 3.56Å; C187-M233 HydrophobicContact CB-SD 3.86Å; Q188-M233 WeakPolarHBondContact CG-O 3.42Å; Q188-M233 PolarHBondContact NE2-O 3.38Å; F191-M233 HydrophobicContact CB-CE 3.69Å; F191-M233 HydrophobicContact CB-SD 4.34Å; W195-M233 HydrophobicContact CB-CE 4.36Å; W195-M233 HydrophobicContact CD2-CB 4.35Å; W195-M233 HydrophobicContact CD2-CE 4.43Å; W195-M233 HydrophobicContact CE3-CB 3.82Å; W195-M233 HydrophobicContact CE3-CE 4.14Å; W195-M233 HydrophobicContact CE3-CG 3.82Å; W195-M233 HydrophobicContact CH2-CB 3.87Å; W195-M233 HydrophobicContact CZ2-CB 4.39Å; W195-M233 HydrophobicContact CZ3-CB 3.56Å; W195-M233 HydrophobicContact CZ3-CG 3.72Å; V204-M233 HydrophobicContact CG1-CB 4.5Å; V204-M233 HydrophobicContact CG2-CE 3.84Å; S231-M233 PolarHBondContact O-N 2.79Å; S231-M233 VanDerWaalsContact O-N 3.1Å; S231-M233 PolarHBondContact OG-N 3.06Å
234I92.6Very high94.1Very high22 Ų2240.6 Ų40.611%0.11321%0.205CC..G310 helixtrans-123.117.3-175.955.8162.2000111.5Y47 H175 W195 V204 V230 S231 L232 H237Y47-I234 HydrophobicContact CD2-CD1 4.43Å; Y47-I234 HydrophobicContact CE2-CD1 4.3Å; H175-I234 HydrophobicContact CB-CB 3.78Å; H175-I234 HydrophobicContact CB-CG2 4.09Å; W195-I234 HydrophobicContact CH2-CG2 4.08Å; W195-I234 HydrophobicContact CZ2-CG2 3.44Å; W195-I234 VanDerWaalsContact CZ2-CG2 3.44Å; V204-I234 HydrophobicContact CG1-CG2 4.05Å; V230-I234 HydrophobicContact CB-CD1 4.09Å; V230-I234 HydrophobicContact CB-CG1 4.23Å; V230-I234 HydrophobicContact CG2-CD1 4.07Å; V230-I234 HydrophobicContact CG2-CG1 3.79Å; S231-I234 CarbonylContact O-C 3.59Å; S231-I234 PolarHBondContact O-N 3.41Å; L232-I234 PolarHBondContact O-N 3.03Å; I234-H237 PolarHBondContact O-CE1 3.39Å; I234-H237 PolarHBondContact O-ND1 3.38Å; I234-H237 VanDerWaalsContact O-ND1 3.07Å
235R93.4Very high94Very high79 Ų7937.1 Ų37.130%0.29819%0.19SC..  trans-63.4-51.8-178.2-173.8-178.4-74.3166.2-5.3114.2E226 A227 P228 S231 L232 H237E226-R235 WeakPolarHBondContact OE2-CD 3.46Å; E226-R235 VanDerWaalsContact OE2-CG 3.24Å; E226-R235 WeakPolarHBondContact OE2-CG 3.43Å; A227-R235 PolarHBondContact N-O 3.33Å; P228-R235 PolarHBondContact O-NH2 3.18Å; S231-R235 PolarHBondContact O-N 3.45Å; S231-R235 VanDerWaalsContact O-N 3.11Å; L232-R235 PolarHBondContact O-N 3.37Å; R235-H237 PolarHBondContact O-N 3.23Å; R235-H237 PolarHBondContact O-ND1 3.35Å
236P96.4Very high93.9Very high6 Ų637.4 Ų37.44%0.03919%0.191CC..EExtended strand (participates in β ladder)trans-63.213017427.1-40.4000110.8H175 V176H175-P236 CarbonylContact C-O 3.49Å; H175-P236 VanDerWaalsContact CA-O 3.24Å; H175-P236 WeakPolarHBondContact CA-O 3.23Å; V176-P236 HydrophobicContact CG2-CB 4.19Å; V176-P236 PolarHBondContact N-O 3.23Å; V176-P236 WeakPolarHBondContact O-CG 3.15Å
237H96.8Very high93.9Very high1 Ų132.7 Ų32.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-133.7163.5177.6-7481.7000112Y47 E174 H175 H224 I225 A227 I234 R235Y47-H237 PolarHBondContact OH-NE2 3.25Å; Y47-H237 VanDerWaalsContact OH-NE2 3.11Å; E174-H237 CarbonylContact O-C 3.57Å; E174-H237 WeakPolarHBondContact O-CA 3.32Å; E174-H237 VanDerWaalsContact O-CB 3.3Å; E174-H237 WeakPolarHBondContact O-CB 3.29Å; E174-H237 PolarHBondContact O-CD2 3.17Å; H175-H237 PolarHBondContact N-CD2 3.01Å; H224-H237 WeakPolarHBondContact CA-O 3.44Å; I225-H237 HydrophobicContact CD1-CB 3.99Å; I225-H237 HydrophobicContact CG1-CB 3.54Å; I225-H237 PolarHBondContact N-O 3.27Å; I225-H237 PolarHBondContact O-N 3.13Å; I225-H237 VanDerWaalsContact O-O 3.08Å; A227-H237 WeakPolarHBondContact CB-ND1 3.35Å; I234-H237 PolarHBondContact O-CE1 3.39Å; I234-H237 PolarHBondContact O-ND1 3.38Å; I234-H237 VanDerWaalsContact O-ND1 3.07Å; R235-H237 PolarHBondContact O-N 3.23Å; R235-H237 PolarHBondContact O-ND1 3.35Å
238I97.9Very high94.1Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-120.3148.1159.262.8178000109.3F172 L173 E174 V176 T208 W209 L212 L222 K223F172-I238 HydrophobicContact CD2-CD1 4.35Å; F172-I238 HydrophobicContact CD2-CG1 4.29Å; F172-I238 HydrophobicContact CE2-CD1 4.25Å; F172-I238 HydrophobicContact CE2-CG1 4.29Å; L173-I238 WeakPolarHBondContact CA-O 3.48Å; E174-I238 HydrophobicContact CB-CD1 4.32Å; E174-I238 HydrophobicContact CB-CG1 3.91Å; E174-I238 PolarHBondContact N-O 2.81Å; E174-I238 PolarHBondContact O-N 2.87Å; V176-I238 HydrophobicContact CG1-CB 4.32Å; V176-I238 HydrophobicContact CG1-CD1 3.9Å; V176-I238 HydrophobicContact CG1-CG1 3.71Å; V176-I238 HydrophobicContact CG1-CG2 3.92Å; V176-I238 HydrophobicContact CG2-CG2 4.15Å; T208-I238 WeakPolarHBondContact OG1-CD1 3.44Å; W209-I238 HydrophobicContact CB-CD1 3.83Å; W209-I238 HydrophobicContact CB-CG2 4.22Å; L212-I238 HydrophobicContact CD1-CD1 3.63Å; L222-I238 HydrophobicContact CD1-CD1 4.18Å; L222-I238 HydrophobicContact CD2-CG2 4.28Å; L222-I238 HydrophobicContact CG-CB 4.49Å; K223-I238 CarbonylContact O-C 3.58Å; K223-I238 VanDerWaalsContact O-CA 3.23Å; K223-I238 WeakPolarHBondContact O-CA 3.33Å
239M98Very high94.5Very high8 Ų831.1 Ų31.14%0.03915%0.154CC..EExtended strand (participates in β ladder)trans-143.9153.6169.169.4175.6-94.900110.5L54 E57 L58 F172 L173 K223 I225L54-M239 HydrophobicContact CB-SD 4.35Å; L54-M239 HydrophobicContact CD2-SD 4.38Å; E57-M239 HydrophobicContact CB-CE 4.21Å; E57-M239 HydrophobicContact CG-CE 4.15Å; L58-M239 HydrophobicContact CB-CE 3.58Å; L58-M239 HydrophobicContact CD1-CB 4.33Å; L58-M239 HydrophobicContact CD1-CE 4.09Å; L58-M239 HydrophobicContact CG-CE 4.41Å; F172-M239 VanDerWaalsContact O-CA 3.31Å; F172-M239 WeakPolarHBondContact O-CA 3.44Å; L173-M239 HydrophobicContact CD1-CB 3.69Å; K223-M239 PolarHBondContact N-O 2.84Å; K223-M239 PolarHBondContact O-N 3.31Å; I225-M239 HydrophobicContact CD1-CB 4.27Å; I225-M239 HydrophobicContact CD1-CG 3.86Å; I225-M239 HydrophobicContact CD1-SD 3.68Å; I225-M239 HydrophobicContact CG2-CG 4.24Å; I225-M239 HydrophobicContact CG2-SD 4.44Å
240G98.3Very high95Very high7 Ų725.1 Ų25.17%0.07213%0.127CC..EExtended strand (participates in β ladder)trans163.8-166.7-176.900000113.8L58 F172 H221L58-G240 WeakPolarHBondContact CD1-O 3.44Å; F172-G240 PolarHBondContact N-O 2.88Å; F172-G240 PolarHBondContact O-N 3.17Å; H221-G240 WeakPolarHBondContact O-CA 3.46Å
241Y98.6Very high95.4Very high34 Ų3426 Ų2613%0.13313%0.13CC..EExtended strand (participates in β ladder)trans-145.1157.1169.762-96.1000111.3R64 L170 Y171 H221 I243R64-Y241 PolarHBondContact NH1-OH 3.26Å; R64-Y241 VanDerWaalsContact NH2-CD2 3.34Å; R64-Y241 PolarHBondContact NH2-OH 3.46Å; L170-Y241 CarbonylContact O-C 3.51Å; L170-Y241 WeakPolarHBondContact O-CA 3.22Å; L170-Y241 WeakPolarHBondContact O-CB 3.47Å; Y171-Y241 HydrophobicContact CD1-CD1 4.46Å; Y171-Y241 AromaticContact CE1-CD1 3.84Å; Y171-Y241 HydrophobicContact CE1-CD1 3.84Å; Y171-Y241 HydrophobicContact CE1-CG 4.15Å; H221-Y241 HydrophobicContact CB-CD1 4.36Å; H221-Y241 HydrophobicContact CB-CD2 4.17Å; H221-Y241 HydrophobicContact CB-CE1 4.01Å; H221-Y241 HydrophobicContact CB-CE2 3.7Å; H221-Y241 HydrophobicContact CB-CG 4.43Å; H221-Y241 WeakPolarHBondContact CB-O 3.5Å; H221-Y241 AromaticContact CD2-CD2 3.92Å; H221-Y241 AromaticContact CD2-CE2 3.12Å; H221-Y241 WeakPolarHBondContact CD2-CE2 3.46Å; H221-Y241 AromaticContact CD2-CZ 3.67Å; H221-Y241 AromaticContact CG-CE2 3.35Å; H221-Y241 AromaticContact CG-CZ 3.4Å; H221-Y241 PolarHBondContact N-O 3.32Å; H221-Y241 AromaticContact ND1-CZ 3.76Å; H221-Y241 PolarHBondContact ND1-OH 3.19Å; H221-Y241 AromaticContact NE2-CE2 3.73Å; H221-Y241 PolarHBondContact O-N 3.13Å; H221-Y241 VanDerWaalsContact O-N 3.16Å; Y241-I243 HydrophobicContact CD2-CG1 4.23Å; Y241-I243 HydrophobicContact CE2-CD1 4.3Å; Y241-I243 HydrophobicContact CE2-CG1 4.26Å
242S98.4Very high96Very high0 Ų023.8 Ų23.80%011%0.111CC..EExtended strand (participates in β ladder)trans-121.4145.9173.9-48.80000110.1A169 L170 E219 L220A169-S242 CarbonylContact C-O 3.49Å; A169-S242 WeakPolarHBondContact CA-O 3.46Å; A169-S242 VanDerWaalsContact CB-O 3.32Å; A169-S242 WeakPolarHBondContact CB-O 3.5Å; L170-S242 PolarHBondContact N-O 3.35Å; L170-S242 PolarHBondContact O-N 3.3Å; E219-S242 CarbonylContact O-C 3.55Å; E219-S242 WeakPolarHBondContact O-CA 3.34Å; E219-S242 WeakPolarHBondContact O-CB 3.35Å; L220-S242 WeakPolarHBondContact CD1-OG 3.42Å
243I98.5Very high96.5Very high29 Ų2921.2 Ų21.215%0.14910%0.096CC..EExtended strand (participates in β ladder)trans-108131.7179.9-55.8-178000109.3F65 G168 F217 A218 E219 Y241F65-I243 HydrophobicContact CZ-CD1 4.45Å; F65-I243 HydrophobicContact CZ-CG1 4.35Å; G168-I243 WeakPolarHBondContact O-CA 3.12Å; F217-I243 WeakPolarHBondContact CB-O 3.28Å; A218-I243 PolarHBondContact N-O 3.09Å; E219-I243 HydrophobicContact CB-CB 4.14Å; E219-I243 HydrophobicContact CB-CD1 4.39Å; E219-I243 HydrophobicContact CB-CG1 4.3Å; E219-I243 PolarHBondContact N-O 3.43Å; E219-I243 PolarHBondContact O-N 3.06Å; Y241-I243 HydrophobicContact CD2-CG1 4.23Å; Y241-I243 HydrophobicContact CE2-CD1 4.3Å; Y241-I243 HydrophobicContact CE2-CG1 4.26Å
244K97.8Very high97Very high52 Ų5221.6 Ų21.623%0.22610%0.098CC..  trans-74.80174.6179.9-178.1173.6179.60111E136 R161 L164 N166 G167 G168 F217E136-K244 IonicContact OE1-NZ 3.63Å; E136-K244 PolarHBondContact OE1-NZ 3Å; E136-K244 VanDerWaalsContact OE1-NZ 3.08Å; R161-K244 VanDerWaalsContact O-CD 3.24Å; R161-K244 WeakPolarHBondContact O-CD 3.26Å; R161-K244 VanDerWaalsContact O-CE 3.26Å; R161-K244 WeakPolarHBondContact O-CE 3.5Å; R161-K244 PolarHBondContact O-NZ 3.4Å; L164-K244 HydrophobicContact CB-CB 4.31Å; L164-K244 HydrophobicContact CB-CD 3.88Å; L164-K244 WeakPolarHBondContact O-CD 3.48Å; L164-K244 WeakPolarHBondContact O-CE 3.31Å; L164-K244 PolarHBondContact O-NZ 3.41Å; N166-K244 WeakPolarHBondContact OD1-CE 3.14Å; G167-K244 WeakPolarHBondContact CA-O 3.5Å; G167-K244 PolarHBondContact N-O 3.39Å; G168-K244 PolarHBondContact O-N 3.43Å; F217-K244 HydrophobicContact CD1-CB 4.48Å

Retrieved 244 of 244 residues in 132.9 ms (Link to these results)

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