X5DRF3_HUMAN Loading...

Neuronal PAS domain protein 3 isoform I

AlphaFold DB , UniProt , Accession X5DRF3, Species HUMAN (Homo sapiens, Human), Gene NPAS3, Length 259 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
1M47.4Very low55.4Low247 Ų247145.5 Ų145.5100%1.21779%0.792SS**  0106.70-98.2130.4110.500108.6
2A49.7Very low56.3Low92 Ų92141 Ų14176%0.7678%0.775SS**  trans-85.7136.2171.200000108.8T4A2-T4 PolarHBondContact O-N 2.91Å
3P58.2Low57.9Low127 Ų127135.3 Ų135.383%0.82575%0.751SS**  trans-71.6113.6177.227.5-30.7000109.5K5P3-K5 PolarHBondContact O-N 3.01Å
4T61Low59.7Low135 Ų135137.2 Ų137.283%0.82874%0.741SS**PPolyproline II helixtrans-64.4119.4169.943.90000109.3A2A2-T4 PolarHBondContact O-N 2.91Å
5K56Low61.1Low198 Ų198138.3 Ų138.386%0.86173%0.731SS**PPolyproline II helixtrans-55.2133.9171.3-78177.4176.5175.30109.3P3 S7P3-K5 PolarHBondContact O-N 3.01Å; K5-S7 PolarHBondContact O-N 3.43Å
6P50.9Low62.8Low120 Ų120137.5 Ų137.578%0.77972%0.722SS**PPolyproline II helixtrans-65.9122.2175.226.7-30.5000108.6F8P6-F8 PolarHBondContact O-N 2.96Å; P6-F8 VanDerWaalsContact O-N 3.1Å
7S49.4Very low64.3Low102 Ų102140.4 Ų140.471%0.71372%0.72SS**  trans-60.6108.8170.844.10000108.9K5 Q9K5-S7 PolarHBondContact O-N 3.43Å; S7-Q9 PolarHBondContact O-N 3.41Å
8F54.4Low65.9Low168 Ų168136.8 Ų136.874%0.73770%0.703SS**  trans-68.180.7171.2-131.5-92000108P6 Q10P6-F8 PolarHBondContact O-N 2.96Å; P6-F8 VanDerWaalsContact O-N 3.1Å; F8-Q10 VanDerWaalsContact C-N 3.31Å; F8-Q10 HydrophobicContact CD1-CG 4.48Å; F8-Q10 PolarHBondContact O-N 3.28Å
9Q55.7Low67.2Low177 Ų177134.1 Ų134.183%0.82769%0.687SS**  trans-61.999.1165.5-99.4166.8-20.900106.6S7 D11S7-Q9 PolarHBondContact O-N 3.41Å; Q9-D11 PolarHBondContact O-N 3.22Å
10Q59.9Low68.5Low140 Ų140130.2 Ų130.265%0.65468%0.676SS**  trans-66.4101.5173.8-84.4-180-4.900108F8 P12F8-Q10 VanDerWaalsContact C-N 3.31Å; F8-Q10 HydrophobicContact CD1-CG 4.48Å; F8-Q10 PolarHBondContact O-N 3.28Å; Q10-P12 WeakPolarHBondContact O-CD 3.43Å
11D66.5Low69.7Low95 Ų95128.3 Ų128.351%0.50867%0.666SS.*  trans-51116.6175.2-160.8-33.6000110Q9 S13 R14 R15Q9-D11 PolarHBondContact O-N 3.22Å; D11-S13 VanDerWaalsContact CG-OG 3.29Å; D11-S13 PolarHBondContact O-N 3.43Å; D11-S13 VanDerWaalsContact O-N 3.15Å; D11-S13 PolarHBondContact OD1-N 3.33Å; D11-S13 PolarHBondContact OD1-OG 3.37Å; D11-R14 HydrophobicContact CB-CB 4.41Å; D11-R14 WeakPolarHBondContact O-CB 3.4Å; D11-R14 PolarHBondContact O-N 2.91Å; D11-R15 PolarHBondContact O-N 2.97Å
12P66.6Low71.9Confident91 Ų91124.1 Ų124.159%0.59164%0.637SS**Hα-helixtrans-57.1-32.5-173.817.6-28.6000112.4Q10 R14 R15 E16Q10-P12 WeakPolarHBondContact O-CD 3.43Å; P12-R14 VanDerWaalsContact C-N 3.35Å; P12-R14 PolarHBondContact O-N 3.22Å; P12-R15 PolarHBondContact O-N 3.13Å; P12-E16 WeakPolarHBondContact O-CG 3.34Å; P12-E16 PolarHBondContact O-N 3.06Å
13S76.9Confident74.1Confident67 Ų67126.9 Ų126.947%0.46963%0.632SS.*Hα-helixtrans-60.5-38.417666.90000113.5D11 R17D11-S13 VanDerWaalsContact CG-OG 3.29Å; D11-S13 PolarHBondContact O-N 3.43Å; D11-S13 VanDerWaalsContact O-N 3.15Å; D11-S13 PolarHBondContact OD1-N 3.33Å; D11-S13 PolarHBondContact OD1-OG 3.37Å; S13-R17 WeakPolarHBondContact O-CB 3.39Å; S13-R17 PolarHBondContact O-N 3.35Å
14R82.9Confident75.9Confident162 Ų162124 Ų12461%0.61161%0.607SS**Hα-helixtrans-71.5-38.1177.8-174.5178.3177.5-1760.3111.1D11 P12 R17 L18D11-R14 HydrophobicContact CB-CB 4.41Å; D11-R14 WeakPolarHBondContact O-CB 3.4Å; D11-R14 PolarHBondContact O-N 2.91Å; P12-R14 VanDerWaalsContact C-N 3.35Å; P12-R14 PolarHBondContact O-N 3.22Å; R14-R17 PolarHBondContact O-N 2.89Å; R14-L18 HydrophobicContact CG-CD1 4.37Å; R14-L18 WeakPolarHBondContact O-CB 3.31Å; R14-L18 VanDerWaalsContact O-CG 3.26Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.02Å
15R81.4Confident77.6Confident153 Ų153125 Ų12558%0.57760%0.6SS**Hα-helixtrans-66.3-42.8177.5-170.1176.1-179.8-177.7-1.4111D11 P12 L18 Q19D11-R15 PolarHBondContact O-N 2.97Å; P12-R15 PolarHBondContact O-N 3.13Å; R15-L18 PolarHBondContact O-N 3.45Å; R15-Q19 WeakPolarHBondContact O-CG 3.45Å; R15-Q19 PolarHBondContact O-N 3.25Å
16E87.6Confident79.5Confident126 Ų126119.4 Ų119.459%0.58959%0.586SS**Hα-helixtrans-62.4-45.7174.6-73.7172.5-179.400112P12 L18 Q19 A20P12-E16 WeakPolarHBondContact O-CG 3.34Å; P12-E16 PolarHBondContact O-N 3.06Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.41Å; E16-Q19 WeakPolarHBondContact O-CB 3.33Å; E16-Q19 PolarHBondContact O-N 2.93Å; E16-Q19 VanDerWaalsContact O-N 3.11Å; E16-A20 PolarHBondContact O-N 2.99Å
17R89.3Confident81.7Confident186 Ų186120.4 Ų120.470%0.70257%0.574SS**Hα-helixtrans-60.2-41.1175.7-169174.9-177.1-179.51.4112.3S13 R14 A20 L21S13-R17 WeakPolarHBondContact O-CB 3.39Å; S13-R17 PolarHBondContact O-N 3.35Å; R14-R17 PolarHBondContact O-N 2.89Å; R17-A20 PolarHBondContact O-N 3.4Å; R17-L21 VanDerWaalsContact O-CG 3.32Å; R17-L21 WeakPolarHBondContact O-CG 3.29Å; R17-L21 PolarHBondContact O-N 3.22Å
18L91.7Very high84Confident77 Ų77119.1 Ų119.140%0.40356%0.559SS.*Hα-helixtrans-67-35.7175.1-71.8171.1000112.4R14 R15 E16 R22R14-L18 HydrophobicContact CG-CD1 4.37Å; R14-L18 WeakPolarHBondContact O-CB 3.31Å; R14-L18 VanDerWaalsContact O-CG 3.26Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.02Å; R15-L18 PolarHBondContact O-N 3.45Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.41Å; L18-R22 WeakPolarHBondContact O-CG 3.15Å; L18-R22 PolarHBondContact O-N 3.24Å; L18-R22 VanDerWaalsContact O-N 3.09Å
19Q91.4Very high86.1Confident84 Ų84113.9 Ų113.939%0.39355%0.547SS..Hα-helixtrans-67-42.4173.1-73.5176.2400111.6R15 E16 L21 R22 K23R15-Q19 WeakPolarHBondContact O-CG 3.45Å; R15-Q19 PolarHBondContact O-N 3.25Å; E16-Q19 WeakPolarHBondContact O-CB 3.33Å; E16-Q19 PolarHBondContact O-N 2.93Å; E16-Q19 VanDerWaalsContact O-N 3.11Å; Q19-L21 PolarHBondContact O-N 3.25Å; Q19-R22 PolarHBondContact O-N 3.49Å; Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 3.09Å
20A92.8Very high88.1Confident57 Ų57106.5 Ų106.547%0.47152%0.516SS..Hα-helixtrans-59.4-45.317500000111.4E16 R17 R22 K23 E24E16-A20 PolarHBondContact O-N 2.99Å; R17-A20 PolarHBondContact O-N 3.4Å; A20-R22 VanDerWaalsContact C-N 3.33Å; A20-R22 PolarHBondContact O-N 3.28Å; A20-K23 PolarHBondContact O-N 2.97Å; A20-E24 WeakPolarHBondContact O-CB 3.4Å; A20-E24 PolarHBondContact O-N 2.83Å
21L94.3Very high89.9Confident91 Ų91107.7 Ų107.748%0.47652%0.515SS..Hα-helixtrans-62.5-36.7175.7-71.8170.3000113.1R17 Q19 E24 K25R17-L21 VanDerWaalsContact O-CG 3.32Å; R17-L21 WeakPolarHBondContact O-CG 3.29Å; R17-L21 PolarHBondContact O-N 3.22Å; Q19-L21 PolarHBondContact O-N 3.25Å; L21-E24 PolarHBondContact O-N 3.24Å; L21-K25 WeakPolarHBondContact O-CG 3.42Å; L21-K25 PolarHBondContact O-N 3.28Å
22R93.8Very high91.4Very high158 Ų158107.2 Ų107.260%0.59652%0.519SS*.Hα-helixtrans-66.8-42.4174.5-73.3180-170.5108.5-6111.6L18 Q19 A20 E24 K25 S26L18-R22 WeakPolarHBondContact O-CG 3.15Å; L18-R22 PolarHBondContact O-N 3.24Å; L18-R22 VanDerWaalsContact O-N 3.09Å; Q19-R22 PolarHBondContact O-N 3.49Å; A20-R22 VanDerWaalsContact C-N 3.33Å; A20-R22 PolarHBondContact O-N 3.28Å; R22-E24 VanDerWaalsContact C-N 3.31Å; R22-K25 PolarHBondContact O-N 3.01Å; R22-S26 PolarHBondContact O-N 2.82Å
23K95.5Very high92.9Very high151 Ų151110.3 Ų110.366%0.65752%0.519SS*.Hα-helixtrans-62.1-41.2174.9-70.7178.7-178.9-178.40111Q19 A20 S26 R27Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 3.09Å; A20-K23 PolarHBondContact O-N 2.97Å; K23-S26 WeakPolarHBondContact O-CB 3.49Å; K23-S26 PolarHBondContact O-N 3.13Å; K23-R27 WeakPolarHBondContact O-CB 3.36Å; K23-R27 PolarHBondContact O-N 2.9Å
24E95.1Very high93.9Very high65 Ų65114.6 Ų114.630%0.30453%0.525SS..Hα-helixtrans-61.5-50.4177.1-167.858.2-139.100111.8A20 L21 R22 S26 R27 D28A20-E24 WeakPolarHBondContact O-CB 3.4Å; A20-E24 PolarHBondContact O-N 2.83Å; L21-E24 PolarHBondContact O-N 3.24Å; R22-E24 VanDerWaalsContact C-N 3.31Å; E24-S26 VanDerWaalsContact C-N 3.26Å; E24-S26 PolarHBondContact O-N 2.89Å; E24-R27 WeakPolarHBondContact O-CA 3.43Å; E24-R27 WeakPolarHBondContact O-CB 3.32Å; E24-R27 PolarHBondContact O-N 2.94Å; E24-R27 IonicContact OE1-CZ 2.75Å; E24-R27 IonicContact OE1-NE 2.77Å; E24-R27 PolarHBondContact OE1-NE 2.98Å; E24-R27 VanDerWaalsContact OE1-NE 3.07Å; E24-R27 IonicContact OE1-NH2 3.21Å; E24-R27 PolarHBondContact OE1-NH2 3.39Å; E24-R27 IonicContact OE2-CZ 2.75Å; E24-R27 IonicContact OE2-NE 3.91Å; E24-R27 PolarHBondContact OE2-NE 2.82Å; E24-R27 IonicContact OE2-NH1 2.65Å; E24-R27 IonicContact OE2-NH2 3.12Å; E24-R27 PolarHBondContact OE2-NH2 2.88Å; E24-D28 PolarHBondContact O-N 3.21Å
25K96.6Very high94.6Very high157 Ų157108.9 Ų108.968%0.68352%0.516SS*.Hα-helixtrans-57-40.3175.6-73.2179.8179.1-169.80112.5L21 R22 A29L21-K25 WeakPolarHBondContact O-CG 3.42Å; L21-K25 PolarHBondContact O-N 3.28Å; R22-K25 PolarHBondContact O-N 3.01Å; K25-A29 VanDerWaalsContact O-CB 3.29Å; K25-A29 WeakPolarHBondContact O-CB 3.28Å; K25-A29 PolarHBondContact O-N 3.45Å
26S96.8Very high95.4Very high81 Ų81107.3 Ų107.357%0.56651%0.513SS*.Hα-helixtrans-64.5-41.1175.9-178.50000111.9R22 K23 E24 A29 A30R22-S26 PolarHBondContact O-N 2.82Å; K23-S26 WeakPolarHBondContact O-CB 3.49Å; K23-S26 PolarHBondContact O-N 3.13Å; E24-S26 VanDerWaalsContact C-N 3.26Å; E24-S26 PolarHBondContact O-N 2.89Å; S26-A29 PolarHBondContact O-N 3.17Å; S26-A30 WeakPolarHBondContact O-CB 3.33Å; S26-A30 PolarHBondContact O-N 3.44Å
27R97.1Very high95.9Very high140 Ų140105 Ų10553%0.52850%0.503SS..Hα-helixtrans-63.7-46.6176.9-176.1172.772.2174.79.1111.8K23 E24 A30 R31K23-R27 WeakPolarHBondContact O-CB 3.36Å; K23-R27 PolarHBondContact O-N 2.9Å; E24-R27 WeakPolarHBondContact O-CA 3.43Å; E24-R27 WeakPolarHBondContact O-CB 3.32Å; E24-R27 PolarHBondContact O-N 2.94Å; E24-R27 IonicContact OE1-CZ 2.75Å; E24-R27 IonicContact OE1-NE 2.77Å; E24-R27 PolarHBondContact OE1-NE 2.98Å; E24-R27 VanDerWaalsContact OE1-NE 3.07Å; E24-R27 IonicContact OE1-NH2 3.21Å; E24-R27 PolarHBondContact OE1-NH2 3.39Å; E24-R27 IonicContact OE2-CZ 2.75Å; E24-R27 IonicContact OE2-NE 3.91Å; E24-R27 PolarHBondContact OE2-NE 2.82Å; E24-R27 IonicContact OE2-NH1 2.65Å; E24-R27 IonicContact OE2-NH2 3.12Å; E24-R27 PolarHBondContact OE2-NH2 2.88Å; R27-A30 PolarHBondContact O-N 3.29Å; R27-R31 PolarHBondContact O-N 3.3Å
28D97.6Very high96.2Very high76 Ų7698.8 Ų98.841%0.40648%0.483SS..Hα-helixtrans-65-41.7178-72.8-23.9000111.7E24 A30 R31 S32E24-D28 PolarHBondContact O-N 3.21Å; D28-A30 VanDerWaalsContact C-N 3.33Å; D28-A30 PolarHBondContact O-N 2.92Å; D28-R31 PolarHBondContact O-N 3.22Å; D28-S32 WeakPolarHBondContact O-CB 3.48Å; D28-S32 PolarHBondContact O-N 3.33Å
29A97.9Very high96.5Very high57 Ų57100 Ų10047%0.47149%0.485SS..Hα-helixtrans-60.4-42173.300000111.9K25 S26 R33K25-A29 VanDerWaalsContact O-CB 3.29Å; K25-A29 WeakPolarHBondContact O-CB 3.28Å; K25-A29 PolarHBondContact O-N 3.45Å; S26-A29 PolarHBondContact O-N 3.17Å; A29-R33 WeakPolarHBondContact O-CB 3.16Å; A29-R33 PolarHBondContact O-N 3.08Å
30A98.1Very high96.8Very high22 Ų22100.3 Ų100.318%0.18249%0.487CS..Hα-helixtrans-66.5-40.4176.300000112.4S26 R27 D28 R34S26-A30 WeakPolarHBondContact O-CB 3.33Å; S26-A30 PolarHBondContact O-N 3.44Å; R27-A30 PolarHBondContact O-N 3.29Å; D28-A30 VanDerWaalsContact C-N 3.33Å; D28-A30 PolarHBondContact O-N 2.92Å; A30-R34 WeakPolarHBondContact O-CB 3.19Å; A30-R34 VanDerWaalsContact O-CG 3.3Å; A30-R34 WeakPolarHBondContact O-CG 3.2Å; A30-R34 PolarHBondContact O-N 3.23Å
31R97.9Very high97Very high165 Ų16599.4 Ų99.462%0.62347%0.472SS*.Hα-helixtrans-65.7-44.9176-177.4-176.9-86.4148.6-11.3111.3R27 D28 R34 G35R27-R31 PolarHBondContact O-N 3.3Å; D28-R31 PolarHBondContact O-N 3.22Å; R31-R34 PolarHBondContact O-N 2.78Å; R31-G35 PolarHBondContact O-N 2.64Å
32S98.3Very high97.1Very high85 Ų85101.4 Ų101.459%0.59448%0.475SS*.Hα-helixtrans-59.5-46.9176.21780000111.3D28 R34 G35 K36D28-S32 WeakPolarHBondContact O-CB 3.48Å; D28-S32 PolarHBondContact O-N 3.33Å; S32-R34 PolarHBondContact O-N 3.04Å; S32-G35 PolarHBondContact O-N 2.95Å; S32-K36 PolarHBondContact O-N 2.76Å
33R98.2Very high97.3Very high156 Ų15697.1 Ų97.159%0.58946%0.461SS*.Hα-helixtrans-58-48.4175.4-173.7179.467.2-120.43.7112.1A29 G35 K36 E37A29-R33 WeakPolarHBondContact O-CB 3.16Å; A29-R33 PolarHBondContact O-N 3.08Å; R33-G35 VanDerWaalsContact C-N 3.32Å; R33-G35 PolarHBondContact O-N 3.1Å; R33-K36 PolarHBondContact O-N 2.96Å; R33-E37 WeakPolarHBondContact O-CB 3.3Å; R33-E37 PolarHBondContact O-N 2.92Å
34R98Very high97.3Very high158 Ų15892.5 Ų92.560%0.59644%0.444SS*.Hα-helixtrans-63.3-37176.9-72.4174.8-174.41722.2112.4A30 R31 S32 N38A30-R34 WeakPolarHBondContact O-CB 3.19Å; A30-R34 VanDerWaalsContact O-CG 3.3Å; A30-R34 WeakPolarHBondContact O-CG 3.2Å; A30-R34 PolarHBondContact O-N 3.23Å; R31-R34 PolarHBondContact O-N 2.78Å; S32-R34 PolarHBondContact O-N 3.04Å; R34-N38 WeakPolarHBondContact O-CB 3.3Å; R34-N38 PolarHBondContact O-N 3.26Å; R34-N38 PolarHBondContact O-OD1 3.03Å
35G98.1Very high97.4Very high42 Ų4289.5 Ų89.543%0.43343%0.43SS..Hα-helixtrans-63.6-45.4176.200000112R31 S32 R33 N38 F39R31-G35 PolarHBondContact O-N 2.64Å; S32-G35 PolarHBondContact O-N 2.95Å; R33-G35 VanDerWaalsContact C-N 3.32Å; R33-G35 PolarHBondContact O-N 3.1Å; G35-N38 PolarHBondContact O-N 3.25Å; G35-F39 PolarHBondContact O-N 3.42Å
36K98.1Very high97.3Very high119 Ų11988.6 Ų88.652%0.51743%0.426SS..Hα-helixtrans-65.9-44.5176-173.753.6167.4158.90111.8S32 R33 N38 F39 E40S32-K36 PolarHBondContact O-N 2.76Å; R33-K36 PolarHBondContact O-N 2.96Å; K36-N38 PolarHBondContact O-N 2.98Å; K36-F39 HydrophobicContact CD-CD1 4.48Å; K36-F39 WeakPolarHBondContact O-CB 3.38Å; K36-F39 PolarHBondContact O-N 2.75Å; K36-E40 WeakPolarHBondContact CE-OE1 3.16Å; K36-E40 IonicContact NZ-OE1 2.67Å; K36-E40 PolarHBondContact NZ-OE1 3.46Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 3.05Å
37E96.6Very high97.2Very high78 Ų7891.4 Ų91.436%0.36443%0.434SS..Hα-helixtrans-55.6-50.1173.8-176.7-155.4128.900111.3R33 F39 E40 F41 K60R33-E37 WeakPolarHBondContact O-CB 3.3Å; R33-E37 PolarHBondContact O-N 2.92Å; E37-F39 VanDerWaalsContact C-N 3.28Å; E37-F39 PolarHBondContact O-N 3.2Å; E37-E40 PolarHBondContact O-N 3.14Å; E37-E40 VanDerWaalsContact O-N 3.17Å; E37-F41 HydrophobicContact CG-CD2 3.91Å; E37-F41 HydrophobicContact CG-CE2 3.63Å; E37-F41 VanDerWaalsContact O-CD2 3.23Å; E37-F41 WeakPolarHBondContact O-CD2 3.48Å; E37-F41 PolarHBondContact O-N 3.15Å; E37-F41 WeakPolarHBondContact OE1-CE2 3.37Å; E37-K60 IonicContact OE1-NZ 3.93Å; E37-K60 PolarHBondContact OE1-NZ 3.07Å
38N97.2Very high97Very high56 Ų5685.3 Ų85.330%0.29941%0.412SS..Hα-helixtrans-57.3-43177-74.66.7000111.7R34 G35 K36 F41 Y42 K60R34-N38 WeakPolarHBondContact O-CB 3.3Å; R34-N38 PolarHBondContact O-N 3.26Å; R34-N38 PolarHBondContact O-OD1 3.03Å; G35-N38 PolarHBondContact O-N 3.25Å; K36-N38 PolarHBondContact O-N 2.98Å; N38-F41 WeakPolarHBondContact O-CB 3.42Å; N38-F41 PolarHBondContact O-N 3.16Å; N38-Y42 HydrophobicContact CB-CE2 4.25Å; N38-Y42 WeakPolarHBondContact O-CD2 3.36Å; N38-Y42 PolarHBondContact O-N 3.29Å; N38-Y42 VanDerWaalsContact O-N 3.11Å; N38-K60 WeakPolarHBondContact OD1-CE 3.24Å; N38-K60 PolarHBondContact OD1-NZ 2.91Å
39F97.4Very high96.7Very high101 Ų10185.7 Ų85.744%0.44342%0.419SS..Hα-helixtrans-58.3-47.9176.4174.8-93.1000111.8G35 K36 E37 F41 Y42 E43G35-F39 PolarHBondContact O-N 3.42Å; K36-F39 HydrophobicContact CD-CD1 4.48Å; K36-F39 WeakPolarHBondContact O-CB 3.38Å; K36-F39 PolarHBondContact O-N 2.75Å; E37-F39 VanDerWaalsContact C-N 3.28Å; E37-F39 PolarHBondContact O-N 3.2Å; F39-F41 VanDerWaalsContact C-N 3.3Å; F39-F41 PolarHBondContact O-N 3.08Å; F39-Y42 PolarHBondContact O-N 3.43Å; F39-Y42 VanDerWaalsContact O-N 3.14Å; F39-E43 HydrophobicContact CD1-CG 4.2Å; F39-E43 HydrophobicContact CE1-CG 3.64Å; F39-E43 HydrophobicContact CE2-CG 4.14Å; F39-E43 HydrophobicContact CZ-CG 3.61Å; F39-E43 PolarHBondContact O-N 2.83Å
40E97.8Very high96.2Very high91 Ų9184.8 Ų84.843%0.42541%0.406SS..Hα-helixtrans-62.6-35.8177.6-60.3-52.8146.100112.4K36 E37 Y42 E43 L44K36-E40 WeakPolarHBondContact CE-OE1 3.16Å; K36-E40 IonicContact NZ-OE1 2.67Å; K36-E40 PolarHBondContact NZ-OE1 3.46Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 3.05Å; E37-E40 PolarHBondContact O-N 3.14Å; E37-E40 VanDerWaalsContact O-N 3.17Å; E40-Y42 PolarHBondContact O-N 3.4Å; E40-E43 PolarHBondContact O-N 2.8Å; E40-L44 VanDerWaalsContact O-CB 3.3Å; E40-L44 WeakPolarHBondContact O-CB 3.27Å; E40-L44 PolarHBondContact O-N 3.09Å
41F97.4Very high95.8Very high38 Ų3887.8 Ų87.817%0.16742%0.423CS..Hα-helixtrans-60-43.9173-87.4-74000112.4E37 N38 F39 L44 A45 K60 I63 I64E37-F41 HydrophobicContact CG-CD2 3.91Å; E37-F41 HydrophobicContact CG-CE2 3.63Å; E37-F41 VanDerWaalsContact O-CD2 3.23Å; E37-F41 WeakPolarHBondContact O-CD2 3.48Å; E37-F41 PolarHBondContact O-N 3.15Å; E37-F41 WeakPolarHBondContact OE1-CE2 3.37Å; N38-F41 WeakPolarHBondContact O-CB 3.42Å; N38-F41 PolarHBondContact O-N 3.16Å; F39-F41 VanDerWaalsContact C-N 3.3Å; F39-F41 PolarHBondContact O-N 3.08Å; F41-L44 PolarHBondContact O-N 3.14Å; F41-A45 WeakPolarHBondContact O-CB 3.34Å; F41-A45 PolarHBondContact O-N 2.79Å; F41-K60 HydrophobicContact CD1-CB 4.1Å; F41-K60 HydrophobicContact CD1-CG 4.03Å; F41-K60 HydrophobicContact CD2-CD 3.92Å; F41-K60 HydrophobicContact CD2-CG 4.16Å; F41-K60 HydrophobicContact CE1-CB 3.88Å; F41-K60 HydrophobicContact CE1-CD 4.46Å; F41-K60 HydrophobicContact CE1-CG 4.18Å; F41-K60 HydrophobicContact CE2-CD 3.87Å; F41-K60 HydrophobicContact CE2-CG 4.36Å; F41-K60 HydrophobicContact CG-CD 4.3Å; F41-K60 HydrophobicContact CG-CG 4.02Å; F41-K60 HydrophobicContact CZ-CB 4.22Å; F41-K60 HydrophobicContact CZ-CD 4.16Å; F41-K60 HydrophobicContact CZ-CG 4.37Å; F41-I63 HydrophobicContact CB-CD1 4.45Å; F41-I63 HydrophobicContact CD1-CB 4.44Å; F41-I63 HydrophobicContact CD1-CD1 4.43Å; F41-I63 HydrophobicContact CD1-CG2 4.3Å; F41-I64 HydrophobicContact CD1-CD1 4.35Å; F41-I64 HydrophobicContact CE1-CD1 3.57Å; F41-I64 HydrophobicContact CE1-CG1 3.64Å; F41-I64 HydrophobicContact CZ-CD1 4.23Å; F41-I64 HydrophobicContact CZ-CG1 4.32Å
42Y95.7Very high95.4Very high133 Ų13383.5 Ų83.552%0.52242%0.423SS..Hα-helixtrans-69.2-38.1178.4-67.7-62.5000112.4N38 F39 E40 A45 K46N38-Y42 HydrophobicContact CB-CE2 4.25Å; N38-Y42 WeakPolarHBondContact O-CD2 3.36Å; N38-Y42 PolarHBondContact O-N 3.29Å; N38-Y42 VanDerWaalsContact O-N 3.11Å; F39-Y42 PolarHBondContact O-N 3.43Å; F39-Y42 VanDerWaalsContact O-N 3.14Å; E40-Y42 PolarHBondContact O-N 3.4Å; Y42-A45 PolarHBondContact O-N 3.06Å; Y42-K46 WeakPolarHBondContact O-CG 3.46Å; Y42-K46 PolarHBondContact O-N 3.21Å
43E97.4Very high95.1Very high68 Ų6882.8 Ų82.832%0.31842%0.422SS..Hα-helixtrans-64.6-43173.9-69.7-56.7110.300111.2F39 E40 A45 K46 L47F39-E43 HydrophobicContact CD1-CG 4.2Å; F39-E43 HydrophobicContact CE1-CG 3.64Å; F39-E43 HydrophobicContact CE2-CG 4.14Å; F39-E43 HydrophobicContact CZ-CG 3.61Å; F39-E43 PolarHBondContact O-N 2.83Å; E40-E43 PolarHBondContact O-N 2.8Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 2.96Å; E43-K46 PolarHBondContact O-N 3.21Å; E43-K46 IonicContact OE1-NZ 3.07Å; E43-K46 PolarHBondContact OE1-NZ 2.83Å; E43-L47 PolarHBondContact O-N 2.72Å
44L97.1Very high94.8Very high55 Ų5578.3 Ų78.329%0.28841%0.409SS..Hα-helixtrans-61-41.1175.6-177.559.3000112.2E40 F41 K46 L47 I63 I64 T67E40-L44 VanDerWaalsContact O-CB 3.3Å; E40-L44 WeakPolarHBondContact O-CB 3.27Å; E40-L44 PolarHBondContact O-N 3.09Å; F41-L44 PolarHBondContact O-N 3.14Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 3.35Å; L44-L47 PolarHBondContact O-N 3.12Å; L44-L47 VanDerWaalsContact O-N 3.15Å; L44-I63 HydrophobicContact CB-CG2 4.22Å; L44-I63 HydrophobicContact CD2-CG2 3.88Å; L44-I63 HydrophobicContact CG-CG2 3.92Å; L44-I64 HydrophobicContact CD2-CD1 4.16Å; L44-T67 HydrophobicContact CD1-CG2 3.96Å; L44-T67 HydrophobicContact CD2-CG2 4.33Å
45A96.4Very high94.5Very high2 Ų271.3 Ų71.32%0.01738%0.384CS..Hα-helixtrans-60.7-38177.600000112.5F41 Y42 E43 L47 L48 T55 I63F41-A45 WeakPolarHBondContact O-CB 3.34Å; F41-A45 PolarHBondContact O-N 2.79Å; Y42-A45 PolarHBondContact O-N 3.06Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 2.96Å; A45-L47 PolarHBondContact O-N 3.5Å; A45-L48 WeakPolarHBondContact O-CB 3.27Å; A45-L48 PolarHBondContact O-N 2.95Å; A45-T55 VanDerWaalsContact O-CB 3.32Å; A45-T55 WeakPolarHBondContact O-CB 3.38Å; A45-T55 WeakPolarHBondContact O-CG2 3.39Å; A45-I63 HydrophobicContact CB-CD1 3.82Å; A45-I63 HydrophobicContact CB-CG1 3.94Å; A45-I63 HydrophobicContact CB-CG2 4.39Å
46K95.2Very high94.3Very high137 Ų13773 Ų7360%0.59639%0.39SS*.Hα-helixtrans-66.6-23177.9-68.7170.3-173.4171.30113.4Y42 E43 L44Y42-K46 WeakPolarHBondContact O-CG 3.46Å; Y42-K46 PolarHBondContact O-N 3.21Å; E43-K46 PolarHBondContact O-N 3.21Å; E43-K46 IonicContact OE1-NZ 3.07Å; E43-K46 PolarHBondContact OE1-NZ 2.83Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 3.35Å
47L94.6Very high94.1Very high140 Ų14075.2 Ų75.273%0.73340%0.402SS*.THydrogen-bonded Turntrans-85.4-9.3179.1-62175000113.2E43 L44 A45E43-L47 PolarHBondContact O-N 2.72Å; L44-L47 PolarHBondContact O-N 3.12Å; L44-L47 VanDerWaalsContact O-N 3.15Å; A45-L47 PolarHBondContact O-N 3.5Å
48L92.9Very high94.1Very high13 Ų1372.6 Ų72.67%0.06839%0.39CS..SBendtrans-67.9145.4176.2-70.3172.9000110.6A45 L50 T55 L58 L66A45-L48 WeakPolarHBondContact O-CB 3.27Å; A45-L48 PolarHBondContact O-N 2.95Å; L48-L50 PolarHBondContact O-N 3.4Å; L48-T55 HydrophobicContact CB-CG2 4.21Å; L48-L58 HydrophobicContact CD1-CD1 3.9Å; L48-L66 HydrophobicContact CD1-CB 3.96Å; L48-L66 HydrophobicContact CD1-CD1 3.94Å; L48-L66 HydrophobicContact CD2-CB 4.08Å
49P90.1Very high94Very high84 Ų8474 Ų7455%0.54540%0.397SS..SBendtrans-77.255.6179.436-39.8000111.5Y70P49-Y70 HydrophobicContact CB-CE2 4.39Å; P49-Y70 HydrophobicContact CG-CD2 3.68Å; P49-Y70 HydrophobicContact CG-CE2 3.69Å; P49-Y70 HydrophobicContact CG-CG 4.39Å
50L88.6Confident94Very high38 Ų3873 Ų7320%0.19939%0.393CS..SBendtrans-135.4150.6-178.8-65.9174.7000109.5L48 T55 L66 V157L48-L50 PolarHBondContact O-N 3.4Å; L50-T55 HydrophobicContact CB-CG2 3.59Å; L50-T55 HydrophobicContact CD1-CG2 4.44Å; L50-L66 HydrophobicContact CD1-CD1 3.97Å; L50-V157 HydrophobicContact CD1-CG2 4.46Å
51P89.3Confident93.9Very high84 Ų8471.9 Ų71.955%0.54540%0.399SS..  trans-53.9140.5173.1-26.333.1000113.1A53 I54 T55P51-A53 PolarHBondContact O-N 2.99Å; P51-A53 VanDerWaalsContact O-N 3.1Å; P51-I54 HydrophobicContact CG-CD1 4.3Å; P51-I54 WeakPolarHBondContact O-CB 3.42Å; P51-I54 PolarHBondContact O-N 3.15Å; P51-T55 PolarHBondContact O-N 2.86Å; P51-T55 VanDerWaalsContact O-N 3.16Å
52A89.1Confident93.9Very high76 Ų7670.6 Ų70.663%0.62840%0.395SS*.Hα-helixtrans-57.4-29-178.800000114I54 T55 S56A52-I54 PolarHBondContact O-N 2.84Å; A52-T55 WeakPolarHBondContact CA-OG1 3.3Å; A52-S56 WeakPolarHBondContact O-CB 3.2Å; A52-S56 PolarHBondContact O-N 3.33Å; A52-S56 VanDerWaalsContact O-N 3.15Å; A52-S56 PolarHBondContact O-OG 2.83Å
53A91.3Very high94Very high69 Ų6964.4 Ų64.457%0.5737%0.371SS*.Hα-helixtrans-61.3-30.2175.300000112.8P51 S56 Q57P51-A53 PolarHBondContact O-N 2.99Å; P51-A53 VanDerWaalsContact O-N 3.1Å; A53-S56 PolarHBondContact O-OG 2.84Å; A53-Q57 PolarHBondContact O-NE2 3.34Å
54I91.6Very high94Very high63 Ų6364.4 Ų64.432%0.32337%0.372SS..Hα-helixtrans-88.3-49.6178.5-58.8175.8000109.7P51 A52 S56 Q57 V157P51-I54 HydrophobicContact CG-CD1 4.3Å; P51-I54 WeakPolarHBondContact O-CB 3.42Å; P51-I54 PolarHBondContact O-N 3.15Å; A52-I54 PolarHBondContact O-N 2.84Å; I54-S56 PolarHBondContact O-N 2.97Å; I54-Q57 PolarHBondContact O-N 3.37Å; I54-V157 HydrophobicContact CG2-CG2 3.9Å
55T92.9Very high94Very high10 Ų1065 Ų656%0.06137%0.37CS..Hα-helixtrans-63.8-28-173.659.90000113.6A45 L48 L50 P51 A52 Q57 L58A45-T55 VanDerWaalsContact O-CB 3.32Å; A45-T55 WeakPolarHBondContact O-CB 3.38Å; A45-T55 WeakPolarHBondContact O-CG2 3.39Å; L48-T55 HydrophobicContact CB-CG2 4.21Å; L50-T55 HydrophobicContact CB-CG2 3.59Å; L50-T55 HydrophobicContact CD1-CG2 4.44Å; P51-T55 PolarHBondContact O-N 2.86Å; P51-T55 VanDerWaalsContact O-N 3.16Å; A52-T55 WeakPolarHBondContact CA-OG1 3.3Å; T55-Q57 VanDerWaalsContact C-N 3.27Å; T55-Q57 PolarHBondContact O-N 3.19Å; T55-L58 HydrophobicContact CG2-CD1 4.49Å
56S93.3Very high94Very high79 Ų7965.4 Ų65.455%0.55237%0.372SS*.THydrogen-bonded Turntrans-68.4-21176.255.50000114.5A52 A53 I54A52-S56 WeakPolarHBondContact O-CB 3.2Å; A52-S56 PolarHBondContact O-N 3.33Å; A52-S56 VanDerWaalsContact O-N 3.15Å; A52-S56 PolarHBondContact O-OG 2.83Å; A53-S56 PolarHBondContact O-OG 2.84Å; I54-S56 PolarHBondContact O-N 2.97Å
57Q94.4Very high94.1Very high165 Ų16560 Ų6077%0.77135%0.351SS*.THydrogen-bonded Turntrans-103.80.8-176.9-59.1-176.136.700113.1A53 I54 T55A53-Q57 PolarHBondContact O-NE2 3.34Å; I54-Q57 PolarHBondContact O-N 3.37Å; T55-Q57 VanDerWaalsContact C-N 3.27Å; T55-Q57 PolarHBondContact O-N 3.19Å
58L95.6Very high94.2Very high23 Ų2357.3 Ų57.312%0.1234%0.336CS..  trans-70139.7-178.6-65.1176.7000111.7L48 T55 I63 L66 V157L48-L58 HydrophobicContact CD1-CD1 3.9Å; T55-L58 HydrophobicContact CG2-CD1 4.49Å; L58-I63 HydrophobicContact CB-CD1 4.28Å; L58-I63 HydrophobicContact CB-CG1 3.72Å; L58-I63 HydrophobicContact CD1-CG1 4.21Å; L58-L66 HydrophobicContact CD1-CD1 3.69Å; L58-L66 HydrophobicContact CD2-CD1 4.25Å; L58-V157 HydrophobicContact CD2-CG1 3.48Å; L58-V157 VanDerWaalsContact CD2-CG1 3.48Å
59D96.4Very high94.3Very high84 Ų8457 Ų5745%0.44934%0.335SS..  trans-75.9160.4166.571.7-69.8000111A61 S62 I63D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 3.42Å; D59-A61 WeakPolarHBondContact OD2-CB 3.48Å; D59-A61 PolarHBondContact OD2-N 3.11Å; D59-A61 VanDerWaalsContact OD2-N 3.08Å; D59-S62 PolarHBondContact O-N 3.4Å; D59-S62 WeakPolarHBondContact OD1-CB 2.99Å; D59-S62 PolarHBondContact OD1-OG 2.78Å; D59-S62 PolarHBondContact OD2-N 3.45Å; D59-S62 VanDerWaalsContact OD2-N 3.12Å; D59-I63 WeakPolarHBondContact O-CG1 3.38Å; D59-I63 PolarHBondContact O-N 3.47Å
60K96.7Very high94.5Very high81 Ų8158 Ų5835%0.35233%0.329SS..Hα-helixtrans-57.8-38.2-177.3-70.4-174.6171.3-168.80113.5E37 N38 F41 I63 I64E37-K60 IonicContact OE1-NZ 3.93Å; E37-K60 PolarHBondContact OE1-NZ 3.07Å; N38-K60 WeakPolarHBondContact OD1-CE 3.24Å; N38-K60 PolarHBondContact OD1-NZ 2.91Å; F41-K60 HydrophobicContact CD1-CB 4.1Å; F41-K60 HydrophobicContact CD1-CG 4.03Å; F41-K60 HydrophobicContact CD2-CD 3.92Å; F41-K60 HydrophobicContact CD2-CG 4.16Å; F41-K60 HydrophobicContact CE1-CB 3.88Å; F41-K60 HydrophobicContact CE1-CD 4.46Å; F41-K60 HydrophobicContact CE1-CG 4.18Å; F41-K60 HydrophobicContact CE2-CD 3.87Å; F41-K60 HydrophobicContact CE2-CG 4.36Å; F41-K60 HydrophobicContact CG-CD 4.3Å; F41-K60 HydrophobicContact CG-CG 4.02Å; F41-K60 HydrophobicContact CZ-CB 4.22Å; F41-K60 HydrophobicContact CZ-CD 4.16Å; F41-K60 HydrophobicContact CZ-CG 4.37Å; K60-I63 PolarHBondContact O-N 3.28Å; K60-I64 WeakPolarHBondContact O-CG1 3.45Å; K60-I64 PolarHBondContact O-N 3.28Å
61A96.9Very high94.8Very high67 Ų6759.5 Ų59.555%0.55434%0.337SS*.Hα-helixtrans-70.3-42-177.600000110.4D59 I64 R65D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 3.42Å; D59-A61 WeakPolarHBondContact OD2-CB 3.48Å; D59-A61 PolarHBondContact OD2-N 3.11Å; D59-A61 VanDerWaalsContact OD2-N 3.08Å; A61-I64 PolarHBondContact O-N 2.99Å; A61-R65 VanDerWaalsContact O-CB 3.24Å; A61-R65 WeakPolarHBondContact O-CB 3.2Å; A61-R65 PolarHBondContact O-N 3.37Å
62S96.8Very high94.9Very high11 Ų1159.7 Ų59.78%0.07733%0.329CS..Hα-helixtrans-63.1-40173.9-61.80000112.8D59 I64 R65 L66D59-S62 PolarHBondContact O-N 3.4Å; D59-S62 WeakPolarHBondContact OD1-CB 2.99Å; D59-S62 PolarHBondContact OD1-OG 2.78Å; D59-S62 PolarHBondContact OD2-N 3.45Å; D59-S62 VanDerWaalsContact OD2-N 3.12Å; S62-I64 PolarHBondContact O-N 3.46Å; S62-R65 PolarHBondContact O-N 3.21Å; S62-R65 PolarHBondContact OG-NH2 3Å; S62-L66 WeakPolarHBondContact O-CB 3.27Å; S62-L66 WeakPolarHBondContact O-CG 3.47Å; S62-L66 PolarHBondContact O-N 2.72Å
63I97.4Very high94.9Very high3 Ų357.1 Ų57.12%0.01530%0.304CS..Hα-helixtrans-54.4-53.2175.6-66.6163.8000110.4F41 L44 A45 L58 D59 K60 R65 L66 T67F41-I63 HydrophobicContact CB-CD1 4.45Å; F41-I63 HydrophobicContact CD1-CB 4.44Å; F41-I63 HydrophobicContact CD1-CD1 4.43Å; F41-I63 HydrophobicContact CD1-CG2 4.3Å; L44-I63 HydrophobicContact CB-CG2 4.22Å; L44-I63 HydrophobicContact CD2-CG2 3.88Å; L44-I63 HydrophobicContact CG-CG2 3.92Å; A45-I63 HydrophobicContact CB-CD1 3.82Å; A45-I63 HydrophobicContact CB-CG1 3.94Å; A45-I63 HydrophobicContact CB-CG2 4.39Å; L58-I63 HydrophobicContact CB-CD1 4.28Å; L58-I63 HydrophobicContact CB-CG1 3.72Å; L58-I63 HydrophobicContact CD1-CG1 4.21Å; D59-I63 WeakPolarHBondContact O-CG1 3.38Å; D59-I63 PolarHBondContact O-N 3.47Å; K60-I63 PolarHBondContact O-N 3.28Å; I63-R65 PolarHBondContact O-N 2.79Å; I63-L66 PolarHBondContact O-N 3.04Å; I63-T67 WeakPolarHBondContact O-CB 3.24Å; I63-T67 PolarHBondContact O-N 3.34Å; I63-T67 PolarHBondContact O-OG1 3.28Å
64I98Very high94.8Very high69 Ų6959.5 Ų59.535%0.35430%0.299SS..Hα-helixtrans-61.4-45.4179.3-60.9-57.8000111.5F41 L44 K60 A61 S62 L66 T67 I68F41-I64 HydrophobicContact CD1-CD1 4.35Å; F41-I64 HydrophobicContact CE1-CD1 3.57Å; F41-I64 HydrophobicContact CE1-CG1 3.64Å; F41-I64 HydrophobicContact CZ-CD1 4.23Å; F41-I64 HydrophobicContact CZ-CG1 4.32Å; L44-I64 HydrophobicContact CD2-CD1 4.16Å; K60-I64 WeakPolarHBondContact O-CG1 3.45Å; K60-I64 PolarHBondContact O-N 3.28Å; A61-I64 PolarHBondContact O-N 2.99Å; S62-I64 PolarHBondContact O-N 3.46Å; I64-L66 PolarHBondContact O-N 2.82Å; I64-T67 PolarHBondContact O-N 3.46Å; I64-I68 HydrophobicContact CG2-CD1 3.58Å; I64-I68 HydrophobicContact CG2-CG1 4.23Å; I64-I68 WeakPolarHBondContact O-CB 3.44Å; I64-I68 VanDerWaalsContact O-CG1 3.28Å; I64-I68 WeakPolarHBondContact O-CG1 3.45Å; I64-I68 PolarHBondContact O-N 3.45Å
65R97.4Very high94.6Very high66 Ų6660.2 Ų60.225%0.24930%0.303CS..Hα-helixtrans-62.3-43.4-176.8-171.616848.996.86.9111.6A61 S62 I63 S69 V157 E158 T160 S162A61-R65 VanDerWaalsContact O-CB 3.24Å; A61-R65 WeakPolarHBondContact O-CB 3.2Å; A61-R65 PolarHBondContact O-N 3.37Å; S62-R65 PolarHBondContact O-N 3.21Å; S62-R65 PolarHBondContact OG-NH2 3Å; I63-R65 PolarHBondContact O-N 2.79Å; R65-S69 WeakPolarHBondContact O-CB 3.31Å; R65-S69 PolarHBondContact O-N 3.05Å; R65-S69 PolarHBondContact O-OG 2.91Å; R65-V157 PolarHBondContact NH2-O 2.7Å; R65-E158 PolarHBondContact NH1-O 3.44Å; R65-T160 PolarHBondContact NH1-O 3.42Å; R65-S162 PolarHBondContact NH1-OG 2.85Å; R65-S162 VanDerWaalsContact NH1-OG 3.12Å
66L96.3Very high94.3Very high11 Ų1161.7 Ų61.76%0.05831%0.309CS..Hα-helixtrans-67.5-43.5174.7-65.9174.1000111.8L48 L50 L58 S62 I63 I64 I68 S69 Y70 V157 T160L48-L66 HydrophobicContact CD1-CB 3.96Å; L48-L66 HydrophobicContact CD1-CD1 3.94Å; L48-L66 HydrophobicContact CD2-CB 4.08Å; L50-L66 HydrophobicContact CD1-CD1 3.97Å; L58-L66 HydrophobicContact CD1-CD1 3.69Å; L58-L66 HydrophobicContact CD2-CD1 4.25Å; S62-L66 WeakPolarHBondContact O-CB 3.27Å; S62-L66 WeakPolarHBondContact O-CG 3.47Å; S62-L66 PolarHBondContact O-N 2.72Å; I63-L66 PolarHBondContact O-N 3.04Å; I64-L66 PolarHBondContact O-N 2.82Å; L66-I68 PolarHBondContact O-N 3.43Å; L66-S69 PolarHBondContact O-N 2.97Å; L66-Y70 VanDerWaalsContact O-CB 3.31Å; L66-Y70 WeakPolarHBondContact O-CB 3.39Å; L66-Y70 PolarHBondContact O-N 2.81Å; L66-V157 HydrophobicContact CD1-CG1 4.19Å; L66-T160 HydrophobicContact CD2-CG2 3.74Å
67T97.2Very high93.9Very high23 Ų2358.3 Ų58.314%0.14129%0.286CS..Hα-helixtrans-59.2-48177.1-59.80000111.3L44 I63 I64 S69 Y70 L71L44-T67 HydrophobicContact CD1-CG2 3.96Å; L44-T67 HydrophobicContact CD2-CG2 4.33Å; I63-T67 WeakPolarHBondContact O-CB 3.24Å; I63-T67 PolarHBondContact O-N 3.34Å; I63-T67 PolarHBondContact O-OG1 3.28Å; I64-T67 PolarHBondContact O-N 3.46Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.21Å; T67-Y70 PolarHBondContact O-N 3.36Å; T67-L71 HydrophobicContact CG2-CD1 4.29Å; T67-L71 WeakPolarHBondContact O-CG 3.26Å; T67-L71 PolarHBondContact O-N 3.21Å
68I96.6Very high93.4Very high84 Ų8454.3 Ų54.343%0.43127%0.27SS..Hα-helixtrans-60.4-46.3178-69.1170.2000110.3I64 L66 Y70 L71 K72I64-I68 HydrophobicContact CG2-CD1 3.58Å; I64-I68 HydrophobicContact CG2-CG1 4.23Å; I64-I68 WeakPolarHBondContact O-CB 3.44Å; I64-I68 VanDerWaalsContact O-CG1 3.28Å; I64-I68 WeakPolarHBondContact O-CG1 3.45Å; I64-I68 PolarHBondContact O-N 3.45Å; L66-I68 PolarHBondContact O-N 3.43Å; I68-Y70 VanDerWaalsContact C-N 3.33Å; I68-Y70 PolarHBondContact O-N 2.89Å; I68-L71 PolarHBondContact O-N 2.97Å; I68-K72 HydrophobicContact CG2-CD 4.15Å; I68-K72 HydrophobicContact CG2-CG 4.45Å; I68-K72 WeakPolarHBondContact O-CB 3.2Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 2.87Å
69S95.1Very high92.7Very high7 Ų760.7 Ų60.75%0.04930%0.299CS..Hα-helixtrans-64.6-39.2-178.8-54.70000111.8R65 L66 T67 K72 M73 G161R65-S69 WeakPolarHBondContact O-CB 3.31Å; R65-S69 PolarHBondContact O-N 3.05Å; R65-S69 PolarHBondContact O-OG 2.91Å; L66-S69 PolarHBondContact O-N 2.97Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.21Å; S69-K72 PolarHBondContact O-N 3.43Å; S69-M73 VanDerWaalsContact O-CB 3.3Å; S69-M73 WeakPolarHBondContact O-CB 3.36Å; S69-M73 PolarHBondContact O-N 3.43Å; S69-G161 WeakPolarHBondContact OG-CA 3.38Å; S69-G161 PolarHBondContact OG-N 3.47Å
70Y94.1Very high91.7Very high104 Ų10458 Ų5841%0.40829%0.29SS..Hα-helixtrans-63.4-46175.7175.5-108.4000112.3P49 L66 T67 I68 M73 R74P49-Y70 HydrophobicContact CB-CE2 4.39Å; P49-Y70 HydrophobicContact CG-CD2 3.68Å; P49-Y70 HydrophobicContact CG-CE2 3.69Å; P49-Y70 HydrophobicContact CG-CG 4.39Å; L66-Y70 VanDerWaalsContact O-CB 3.31Å; L66-Y70 WeakPolarHBondContact O-CB 3.39Å; L66-Y70 PolarHBondContact O-N 2.81Å; T67-Y70 PolarHBondContact O-N 3.36Å; I68-Y70 VanDerWaalsContact C-N 3.33Å; I68-Y70 PolarHBondContact O-N 2.89Å; Y70-M73 PolarHBondContact O-N 3.36Å; Y70-R74 PolarHBondContact O-N 2.73Å
71L94.1Very high90.6Very high70 Ų7061.9 Ų61.937%0.36632%0.315SS..Hα-helixtrans-62.3-45.3176.8-67.4175.5000111.1T67 I68 M73 R74 D75T67-L71 HydrophobicContact CG2-CD1 4.29Å; T67-L71 WeakPolarHBondContact O-CG 3.26Å; T67-L71 PolarHBondContact O-N 3.21Å; I68-L71 PolarHBondContact O-N 2.97Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.41Å; L71-R74 PolarHBondContact O-N 2.82Å; L71-D75 VanDerWaalsContact O-CG 3.31Å; L71-D75 PolarHBondContact O-N 3.29Å
72K91.9Very high89.6Confident88 Ų8862.3 Ų62.338%0.38331%0.313SS..Hα-helixtrans-61.6-39.9175.5-73.1-174.7172.6-162.20112.6I68 S69 D75 F76 L142I68-K72 HydrophobicContact CG2-CD 4.15Å; I68-K72 HydrophobicContact CG2-CG 4.45Å; I68-K72 WeakPolarHBondContact O-CB 3.2Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 2.87Å; S69-K72 PolarHBondContact O-N 3.43Å; K72-D75 PolarHBondContact O-N 3.31Å; K72-F76 VanDerWaalsContact O-CB 3.24Å; K72-F76 WeakPolarHBondContact O-CB 3.48Å; K72-F76 PolarHBondContact O-N 3.22Å; K72-L142 HydrophobicContact CB-CD2 3.58Å; K72-L142 HydrophobicContact CD-CD2 4.26Å
73M89.4Confident88.7Confident22 Ų2264.1 Ų64.111%0.10832%0.324CS..Hα-helixtrans-63.4-44.6175171.444.293.600110.9S69 Y70 L71 D75 F76 A77 W84 A134 L142 Y143S69-M73 VanDerWaalsContact O-CB 3.3Å; S69-M73 WeakPolarHBondContact O-CB 3.36Å; S69-M73 PolarHBondContact O-N 3.43Å; Y70-M73 PolarHBondContact O-N 3.36Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.41Å; M73-D75 VanDerWaalsContact C-N 3.32Å; M73-D75 PolarHBondContact O-N 3.15Å; M73-F76 HydrophobicContact CE-CD1 4.28Å; M73-F76 WeakPolarHBondContact O-CB 3.3Å; M73-F76 PolarHBondContact O-N 3.13Å; M73-F76 HydrophobicContact SD-CD1 3.91Å; M73-A77 VanDerWaalsContact O-CB 3.32Å; M73-A77 WeakPolarHBondContact O-CB 3.38Å; M73-A77 PolarHBondContact O-N 3.46Å; M73-A77 HydrophobicContact SD-CB 4.41Å; M73-W84 HydrophobicContact CE-CH2 4.48Å; M73-W84 HydrophobicContact CE-CZ3 4.06Å; M73-W84 HydrophobicContact SD-CZ3 4.08Å; M73-A134 HydrophobicContact CE-CB 3.54Å; M73-L142 HydrophobicContact CB-CB 4.22Å; M73-L142 HydrophobicContact CE-CB 3.94Å; M73-Y143 HydrophobicContact CE-CG 4.09Å
74R88.8Confident87.7Confident119 Ų11970.5 Ų70.545%0.44935%0.348SS..Hα-helixtrans-60.4-43.7177-173.1-179.765.8178.80.3111.7Y70 L71 F76 A77 N78Y70-R74 PolarHBondContact O-N 2.73Å; L71-R74 PolarHBondContact O-N 2.82Å; R74-F76 VanDerWaalsContact C-N 3.35Å; R74-A77 PolarHBondContact O-N 3.02Å; R74-N78 VanDerWaalsContact O-CG 3.3Å; R74-N78 PolarHBondContact O-N 3.27Å; R74-N78 VanDerWaalsContact O-N 3.13Å; R74-N78 PolarHBondContact O-ND2 3Å; R74-N78 VanDerWaalsContact O-ND2 3.15Å
75D88.4Confident86.2Confident79 Ų7972 Ų7242%0.42236%0.357SS..Hα-helixtrans-64.8-42.2176.8-64.1-17.7000110.9L71 K72 M73 N78 Q79L71-D75 VanDerWaalsContact O-CG 3.31Å; L71-D75 PolarHBondContact O-N 3.29Å; K72-D75 PolarHBondContact O-N 3.31Å; M73-D75 VanDerWaalsContact C-N 3.32Å; M73-D75 PolarHBondContact O-N 3.15Å; D75-N78 PolarHBondContact O-N 3.12Å; D75-Q79 VanDerWaalsContact C-NE2 3.29Å; D75-Q79 WeakPolarHBondContact O-CG 3.35Å; D75-Q79 PolarHBondContact O-N 3.08Å; D75-Q79 PolarHBondContact O-NE2 3.24Å
76F86.4Confident84Confident40 Ų4074.8 Ų74.818%0.17538%0.376CS..Hα-helixtrans-59.9-47.4175.8174-105.7000112.2K72 M73 R74 N78 Q79 G80 W84 A134 L142 C236K72-F76 VanDerWaalsContact O-CB 3.24Å; K72-F76 WeakPolarHBondContact O-CB 3.48Å; K72-F76 PolarHBondContact O-N 3.22Å; M73-F76 HydrophobicContact CE-CD1 4.28Å; M73-F76 WeakPolarHBondContact O-CB 3.3Å; M73-F76 PolarHBondContact O-N 3.13Å; M73-F76 HydrophobicContact SD-CD1 3.91Å; R74-F76 VanDerWaalsContact C-N 3.35Å; F76-N78 VanDerWaalsContact C-N 3.28Å; F76-N78 PolarHBondContact O-N 2.56Å; F76-Q79 PolarHBondContact O-N 2.86Å; F76-G80 PolarHBondContact O-N 2.98Å; F76-W84 HydrophobicContact CD1-CH2 4.43Å; F76-W84 AromaticContact CE1-CH2 3.8Å; F76-W84 HydrophobicContact CE1-CH2 3.8Å; F76-W84 AromaticContact CE1-CZ2 3.83Å; F76-W84 HydrophobicContact CE1-CZ2 3.83Å; F76-A134 HydrophobicContact CE1-CB 4.45Å; F76-L142 HydrophobicContact CB-CD1 3.87Å; F76-L142 HydrophobicContact CD1-CD1 4.19Å; F76-L142 HydrophobicContact CD2-CD1 4.4Å; F76-L142 HydrophobicContact CG-CD1 3.86Å; F76-C236 HydrophobicContact CE2-CB 3.52Å; F76-C236 WeakPolarHBondContact CE2-SG 3.32Å; F76-C236 HydrophobicContact CZ-CB 3.52Å
77A84.5Confident81.9Confident9 Ų981.3 Ų81.37%0.07440%0.4CS..Hα-helixtrans-64-30.4179.400000113.4M73 R74 P83 W84M73-A77 VanDerWaalsContact O-CB 3.32Å; M73-A77 WeakPolarHBondContact O-CB 3.38Å; M73-A77 PolarHBondContact O-N 3.46Å; M73-A77 HydrophobicContact SD-CB 4.41Å; R74-A77 PolarHBondContact O-N 3.02Å; A77-P83 WeakPolarHBondContact O-CA 3.32Å; A77-W84 HydrophobicContact CB-CB 4.14Å; A77-W84 HydrophobicContact CB-CD2 4.19Å; A77-W84 HydrophobicContact CB-CE3 4.02Å; A77-W84 HydrophobicContact CB-CG 4.26Å; A77-W84 PolarHBondContact O-N 2.86Å
78N82.5Confident79.5Confident80 Ų8088.5 Ų88.543%0.42843%0.434SS..Hα-helixtrans-78.9-23.4176.8-75.7-30000113.7R74 D75 F76 N85R74-N78 VanDerWaalsContact O-CG 3.3Å; R74-N78 PolarHBondContact O-N 3.27Å; R74-N78 VanDerWaalsContact O-N 3.13Å; R74-N78 PolarHBondContact O-ND2 3Å; R74-N78 VanDerWaalsContact O-ND2 3.15Å; D75-N78 PolarHBondContact O-N 3.12Å; F76-N78 VanDerWaalsContact C-N 3.28Å; F76-N78 PolarHBondContact O-N 2.56Å; N78-N85 PolarHBondContact OD1-ND2 3.28Å
79Q82.4Confident77.1Confident158 Ų15893.3 Ų93.374%0.73845%0.454SS*.Hα-helixtrans-89-14.5-178.9-73.6169.283.500113.3D75 F76D75-Q79 VanDerWaalsContact C-NE2 3.29Å; D75-Q79 WeakPolarHBondContact O-CG 3.35Å; D75-Q79 PolarHBondContact O-N 3.08Å; D75-Q79 PolarHBondContact O-NE2 3.24Å; F76-Q79 PolarHBondContact O-N 2.86Å
80G74.8Confident75.1Confident26 Ų2695.4 Ų95.427%0.26848%0.477SS..SBendtrans-66.7155176.700000113F76 P82 P83F76-G80 PolarHBondContact O-N 2.98Å; G80-P82 CarbonylContact C-O 3.54Å; G80-P82 CarbonylContact O-C 3.15Å; G80-P83 VanDerWaalsContact O-CA 3.27Å; G80-P83 WeakPolarHBondContact O-CA 3.32Å; G80-P83 WeakPolarHBondContact O-CD 3.5Å
81D72.8Confident72.9Confident163 Ų16396.4 Ų96.487%0.87250%0.496SS*.SBendtrans-117.1112.2172.1-17416.6000110
82P77.5Confident70.8Confident77 Ų7797.5 Ų97.550%0.551%0.508SS..SBendcis-71.2154.9-7.430.5-34.8000112.1G80 W84 L86G80-P82 CarbonylContact C-O 3.54Å; G80-P82 CarbonylContact O-C 3.15Å; P82-W84 PolarHBondContact O-N 3.41Å; P82-L86 HydrophobicContact CB-CD1 4.01Å; P82-L86 HydrophobicContact CB-CD2 3.91Å; P82-L86 HydrophobicContact CG-CD2 4.42Å
83P77.4Confident69Low48 Ų4899.8 Ų99.831%0.31253%0.531SS..  trans-63.5138.6175.624.7-33000109.5A77 G80 N85 L86A77-P83 WeakPolarHBondContact O-CA 3.32Å; G80-P83 VanDerWaalsContact O-CA 3.27Å; G80-P83 WeakPolarHBondContact O-CA 3.32Å; G80-P83 WeakPolarHBondContact O-CD 3.5Å; P83-N85 PolarHBondContact O-N 3.29Å; P83-L86 HydrophobicContact CG-CD1 3.81Å; P83-L86 PolarHBondContact O-N 3.01Å
84W75.3Confident67.2Low138 Ų138104.8 Ų104.852%0.52356%0.559SS.*THydrogen-bonded Turntrans-66.2-13.6-172.5-62.32.9000112.9M73 F76 A77 P82 L86 L238M73-W84 HydrophobicContact CE-CH2 4.48Å; M73-W84 HydrophobicContact CE-CZ3 4.06Å; M73-W84 HydrophobicContact SD-CZ3 4.08Å; F76-W84 HydrophobicContact CD1-CH2 4.43Å; F76-W84 AromaticContact CE1-CH2 3.8Å; F76-W84 HydrophobicContact CE1-CH2 3.8Å; F76-W84 AromaticContact CE1-CZ2 3.83Å; F76-W84 HydrophobicContact CE1-CZ2 3.83Å; A77-W84 HydrophobicContact CB-CB 4.14Å; A77-W84 HydrophobicContact CB-CD2 4.19Å; A77-W84 HydrophobicContact CB-CE3 4.02Å; A77-W84 HydrophobicContact CB-CG 4.26Å; A77-W84 PolarHBondContact O-N 2.86Å; P82-W84 PolarHBondContact O-N 3.41Å; W84-L86 VanDerWaalsContact C-N 3.26Å; W84-L86 PolarHBondContact O-N 3.26Å; W84-L238 HydrophobicContact CH2-CD1 4.16Å; W84-L238 HydrophobicContact CZ2-CD1 4.44Å
85N66.6Low65.6Low100 Ų100104.9 Ų104.954%0.53557%0.573SS.*THydrogen-bonded Turntrans-84.922.4177.5-67.5-46000114.4N78 P83 R87N78-N85 PolarHBondContact OD1-ND2 3.28Å; P83-N85 PolarHBondContact O-N 3.29Å; N85-R87 PolarHBondContact O-N 3.46Å
86L52.9Low63.6Low124 Ų124107.2 Ų107.265%0.64960%0.595SS**THydrogen-bonded Turntrans-63.610.3-170.1-140.971.3000116.5P82 P83 W84P82-L86 HydrophobicContact CB-CD1 4.01Å; P82-L86 HydrophobicContact CB-CD2 3.91Å; P82-L86 HydrophobicContact CG-CD2 4.42Å; P83-L86 HydrophobicContact CG-CD1 3.81Å; P83-L86 PolarHBondContact O-N 3.01Å; W84-L86 VanDerWaalsContact C-N 3.26Å; W84-L86 PolarHBondContact O-N 3.26Å
87R50.7Low61.6Low149 Ų149110.7 Ų110.756%0.56262%0.619SS**THydrogen-bonded Turntrans-147.316-169.6-140.3-159.7171.7-135.6-8.9118.7N85 E117N85-R87 PolarHBondContact O-N 3.46Å; R87-E117 IonicContact CZ-OE1 3.41Å; R87-E117 IonicContact CZ-OE2 3.7Å; R87-E117 IonicContact NH1-OE1 2.69Å; R87-E117 PolarHBondContact NH1-OE1 2.9Å; R87-E117 IonicContact NH1-OE2 2.67Å; R87-E117 PolarHBondContact NH1-OE2 2.86Å
88M47Very low59.7Low174 Ų174119.2 Ų119.286%0.85766%0.655SS**SBendtrans-101.8-23.3171.2-77.8-66.6-124.500114.1G90M88-G90 PolarHBondContact O-N 3.24Å
89E47.5Very low57.5Low185 Ų185121.5 Ų121.586%0.86467%0.671SS**  trans-92.991.8177.9-142.183.2173.200109.6
90G51.7Low55.6Low51 Ų51121.3 Ų121.353%0.52667%0.674SS.*PPolyproline II helixtrans-59.8161.4159.400000110.4M88M88-G90 PolarHBondContact O-N 3.24Å
91P48.5Very low54.1Low125 Ų125123.4 Ų123.481%0.81270%0.696SS**PPolyproline II helixtrans-53.5138.4178.7-21.631000110.9
92P49.5Very low52.4Low93 Ų93120.1 Ų120.160%0.60469%0.691SS**PPolyproline II helixtrans-56.1137.7-178.921-32000110.8N94P92-N94 PolarHBondContact O-N 3.41Å
93P54.9Low50.5Low135 Ų135125.4 Ų125.488%0.87771%0.709SS**SBendtrans-80.459.2-177.634.7-35.7000110.9
94N51Low48.9Very low128 Ų128132.8 Ų132.868%0.68473%0.731SS**  trans-168.456.3171.458.9-10.7000113.5P92P92-N94 PolarHBondContact O-N 3.41Å
95T54.6Low47.3Very low121 Ų121137 Ų13774%0.74275%0.746SS**  trans-127.1100.4143.459.70000108.4V97T95-V97 PolarHBondContact O-N 3.17Å
96S46.7Very low46.4Very low128 Ų128141.8 Ų141.890%0.89576%0.757SS**  trans-68.980.7171.956.10000109.3
97V44.4Very low46Very low113 Ų113138.5 Ų138.569%0.68574%0.744SS**  trans-106.9104.2158.2-175.40000106.3T95 V99T95-V97 PolarHBondContact O-N 3.17Å; V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.36Å
98K44.6Very low45.7Very low188 Ų188136.8 Ų136.882%0.81775%0.752SS**  trans-56.996.8168.5-88.5178.3171.9177.10108.5I100K98-I100 HydrophobicContact CB-CG1 4.42Å; K98-I100 PolarHBondContact O-N 2.73Å
99V37.3Very low45.7Very low127 Ų127131.5 Ų131.577%0.7773%0.733SS**  trans-89.895.7155179.90000106.3V97 G101V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.36Å; V99-G101 PolarHBondContact O-N 3.26Å
100I42.8Very low45.8Very low154 Ų154125 Ų12579%0.7971%0.71SS**  trans-71.8120170-63.7168000106.5K98K98-I100 HydrophobicContact CB-CG1 4.42Å; K98-I100 PolarHBondContact O-N 2.73Å
101G43.4Very low45.6Very low71 Ų71128 Ų12873%0.73271%0.714SS**  trans11268.4161.800000116.5V99V99-G101 PolarHBondContact O-N 3.26Å
102A36.4Very low45.5Very low94 Ų94124.2 Ų124.278%0.77769%0.693SS**  trans-150.7111.4145.400000108.2R104A102-R104 PolarHBondContact O-N 3.34Å
103Q37.9Very low45.5Very low188 Ų188123.3 Ų123.388%0.87968%0.683SS**  trans-49.3113.8172.3-82.7167-89.200109.6R105Q103-R105 PolarHBondContact O-N 2.88Å
104R43.5Very low45.2Very low203 Ų203122.8 Ų122.877%0.76667%0.668SS**  trans-65.680.1169.3-157.5-178.8-164.1-169.14.4108A102 R106A102-R104 PolarHBondContact O-N 3.34Å; R104-R106 VanDerWaalsContact C-N 3.29Å; R104-R106 PolarHBondContact O-N 3.47Å
105R41.1Very low45.2Very low226 Ų226121.4 Ų121.485%0.85366%0.664SS**  trans-60.699.7157.7-78.9-119.8-176.4-154.62.7105.3Q103 S107Q103-R105 PolarHBondContact O-N 2.88Å; R105-S107 PolarHBondContact O-N 2.92Å
106R48.8Very low44.6Very low201 Ų201121.7 Ų121.776%0.75866%0.656SS**  trans-6393.9163.1-75-172.3177.493.8-6.2105.8R104R104-R106 VanDerWaalsContact C-N 3.29Å; R104-R106 PolarHBondContact O-N 3.47Å
107S43Very low45Very low54 Ų54119.5 Ų119.538%0.37863%0.631SS.*  trans-64.8137.4176.21760000108.6R105 S109 A110R105-S107 PolarHBondContact O-N 2.92Å; S107-S109 VanDerWaalsContact CB-OG 3.29Å; S107-S109 WeakPolarHBondContact CB-OG 3.5Å; S107-S109 PolarHBondContact O-N 2.95Å; S107-S109 WeakPolarHBondContact OG-CB 3.34Å; S107-S109 PolarHBondContact OG-N 3.47Å; S107-S109 VanDerWaalsContact OG-N 3.16Å; S107-S109 PolarHBondContact OG-OG 3.45Å; S107-A110 PolarHBondContact O-N 3.43Å
108P44.7Very low45.6Very low113 Ų113117.8 Ų117.873%0.73463%0.629SS**Hα-helixtrans-53.7-21.3169-21.531.4000112.9A110 A112P108-A110 VanDerWaalsContact C-N 3.27Å; P108-A110 PolarHBondContact O-N 3.28Å; P108-A112 PolarHBondContact O-N 2.74Å
109S47Very low46.8Very low64 Ų64113.9 Ų113.945%0.44861%0.613SS.*Hα-helixtrans-65.8-22.9175.2680000114.2S107 I113S107-S109 VanDerWaalsContact CB-OG 3.29Å; S107-S109 WeakPolarHBondContact CB-OG 3.5Å; S107-S109 PolarHBondContact O-N 2.95Å; S107-S109 WeakPolarHBondContact OG-CB 3.34Å; S107-S109 PolarHBondContact OG-N 3.47Å; S107-S109 VanDerWaalsContact OG-N 3.16Å; S107-S109 PolarHBondContact OG-OG 3.45Å; S109-I113 WeakPolarHBondContact O-CB 3.38Å; S109-I113 VanDerWaalsContact O-CD1 3.31Å; S109-I113 WeakPolarHBondContact O-CD1 3.03Å; S109-I113 WeakPolarHBondContact O-CG1 3.21Å; S109-I113 PolarHBondContact O-N 3.01Å
110A49.9Very low48.7Very low47 Ų47111.8 Ų111.839%0.38860%0.597SS.*Hα-helixtrans-72.9-40.4179.100000112.1S107 P108 I113 E114S107-A110 PolarHBondContact O-N 3.43Å; P108-A110 VanDerWaalsContact C-N 3.27Å; P108-A110 PolarHBondContact O-N 3.28Å; A110-I113 PolarHBondContact O-N 2.67Å; A110-E114 WeakPolarHBondContact O-CG 3.38Å; A110-E114 PolarHBondContact O-N 2.75Å
111L48.3Very low50.3Low114 Ų114106.6 Ų106.660%0.59758%0.582SS**Hα-helixtrans-74.2-35176.1-65.7176.1000111.9I113 E114 V115L111-I113 VanDerWaalsContact C-N 3.32Å; L111-E114 PolarHBondContact O-N 2.64Å; L111-V115 WeakPolarHBondContact O-CG2 3.1Å; L111-V115 PolarHBondContact O-N 3.31Å
112A45.1Very low52Low46 Ų46105.6 Ų105.638%0.3856%0.564SS.*Hα-helixtrans-61.6-43.6170.800000110.3P108 E114 V115 F116P108-A112 PolarHBondContact O-N 2.74Å; A112-E114 PolarHBondContact O-N 2.77Å; A112-V115 PolarHBondContact O-N 3.36Å; A112-F116 HydrophobicContact CB-CD2 4.48Å; A112-F116 WeakPolarHBondContact O-CB 3.15Å; A112-F116 VanDerWaalsContact O-CD2 3.25Å; A112-F116 WeakPolarHBondContact O-CD2 3.25Å; A112-F116 PolarHBondContact O-N 3.07Å
113I50.5Low54.3Low75 Ų75105.3 Ų105.339%0.38555%0.546SS..Hα-helixtrans-60.8-44.2173.7-70.4163.6000110.9S109 A110 L111 V115 F116 E117S109-I113 WeakPolarHBondContact O-CB 3.38Å; S109-I113 VanDerWaalsContact O-CD1 3.31Å; S109-I113 WeakPolarHBondContact O-CD1 3.03Å; S109-I113 WeakPolarHBondContact O-CG1 3.21Å; S109-I113 PolarHBondContact O-N 3.01Å; A110-I113 PolarHBondContact O-N 2.67Å; L111-I113 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 3.39Å; I113-F116 PolarHBondContact O-N 3.16Å; I113-E117 WeakPolarHBondContact O-CA 3.46Å; I113-E117 WeakPolarHBondContact O-CB 3.28Å; I113-E117 PolarHBondContact O-N 3.32Å
114E49.1Very low56.6Low123 Ų123100.5 Ų100.558%0.57553%0.525SS*.Hα-helixtrans-63.4-38.1178.2-74.4178.1-172.600113.8A110 L111 A112 A118A110-E114 WeakPolarHBondContact O-CG 3.38Å; A110-E114 PolarHBondContact O-N 2.75Å; L111-E114 PolarHBondContact O-N 2.64Å; A112-E114 PolarHBondContact O-N 2.77Å; E114-A118 PolarHBondContact O-N 3.1Å
115V49.4Very low58.6Low100 Ų10092.4 Ų92.461%0.60650%0.497SS*.Hα-helixtrans-76.2-41.4177.2174.10000111.9L111 A112 I113 E117L111-V115 WeakPolarHBondContact O-CG2 3.1Å; L111-V115 PolarHBondContact O-N 3.31Å; A112-V115 PolarHBondContact O-N 3.36Å; I113-V115 PolarHBondContact O-N 3.39Å; V115-E117 VanDerWaalsContact C-N 3.3Å
116F43.6Very low60.8Low127 Ų12788.6 Ų88.656%0.55749%0.489SS*.Hα-helixtrans-65.6-35.3173.5-90.5-85.4000110.8A112 I113 H119 L120A112-F116 HydrophobicContact CB-CD2 4.48Å; A112-F116 WeakPolarHBondContact O-CB 3.15Å; A112-F116 VanDerWaalsContact O-CD2 3.25Å; A112-F116 WeakPolarHBondContact O-CD2 3.25Å; A112-F116 PolarHBondContact O-N 3.07Å; I113-F116 PolarHBondContact O-N 3.16Å; F116-H119 CarbonylContact O-C 3.37Å; F116-H119 PolarHBondContact O-N 3.2Å; F116-L120 WeakPolarHBondContact O-CA 3.49Å; F116-L120 WeakPolarHBondContact O-CB 3.21Å; F116-L120 PolarHBondContact O-N 2.75Å
117E55.2Low62.7Low82 Ų8283.9 Ų83.938%0.38349%0.487SS..Hα-helixtrans-67.7-40.9-179.2-166.2177.8-150.700111.9R87 I113 V115 H119 L120R87-E117 IonicContact CZ-OE1 3.41Å; R87-E117 IonicContact CZ-OE2 3.7Å; R87-E117 IonicContact NH1-OE1 2.69Å; R87-E117 PolarHBondContact NH1-OE1 2.9Å; R87-E117 IonicContact NH1-OE2 2.67Å; R87-E117 PolarHBondContact NH1-OE2 2.86Å; I113-E117 WeakPolarHBondContact O-CA 3.46Å; I113-E117 WeakPolarHBondContact O-CB 3.28Å; I113-E117 PolarHBondContact O-N 3.32Å; V115-E117 VanDerWaalsContact C-N 3.3Å; E117-H119 PolarHBondContact O-N 2.67Å; E117-L120 PolarHBondContact O-N 3.32Å
118A55.8Low64.8Low77 Ų7783.6 Ų83.664%0.63648%0.481SS*.Hα-helixtrans-59.5-29.1176.800000113.2E114E114-A118 PolarHBondContact O-N 3.1Å
119H70.7Confident67Low106 Ų10681.4 Ų81.449%0.49146%0.463SS..THydrogen-bonded Turntrans-119.915-180-57.988.8000112.7F116 E117 G121 S122 H123F116-H119 CarbonylContact O-C 3.37Å; F116-H119 PolarHBondContact O-N 3.2Å; E117-H119 PolarHBondContact O-N 2.67Å; H119-G121 VanDerWaalsContact C-N 3.3Å; H119-G121 PolarHBondContact O-N 2.79Å; H119-S122 PolarHBondContact O-N 3.19Å; H119-S122 VanDerWaalsContact O-N 3.17Å; H119-S122 PolarHBondContact O-OG 2.82Å; H119-H123 PolarHBondContact O-CD2 3.28Å; H119-H123 VanDerWaalsContact O-CD2 3.28Å; H119-H123 PolarHBondContact O-N 3.4Å
120L75.9Confident69.1Low82 Ų8278.5 Ų78.543%0.42944%0.443SS..Hα-helixtrans-64.6-42.6-172.2-174.158.8000110F116 E117 S122 H123 I124F116-L120 WeakPolarHBondContact O-CA 3.49Å; F116-L120 WeakPolarHBondContact O-CB 3.21Å; F116-L120 PolarHBondContact O-N 2.75Å; E117-L120 PolarHBondContact O-N 3.32Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 3.26Å; L120-H123 PolarHBondContact O-N 3.15Å; L120-I124 HydrophobicContact CD1-CD1 4.12Å; L120-I124 HydrophobicContact CD1-CG1 4.31Å; L120-I124 HydrophobicContact CD2-CD1 4.44Å; L120-I124 HydrophobicContact CG-CD1 3.74Å; L120-I124 HydrophobicContact CG-CG1 4.37Å; L120-I124 WeakPolarHBondContact O-CB 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.44Å; L120-I124 PolarHBondContact O-N 3.45Å
121G76.6Confident71.2Confident46 Ų4676.8 Ų76.847%0.47443%0.427SS..Hα-helixtrans-58.7-42.8176.200000112.6H119 L125H119-G121 VanDerWaalsContact C-N 3.3Å; H119-G121 PolarHBondContact O-N 2.79Å; G121-L125 WeakPolarHBondContact O-CB 3.12Å; G121-L125 VanDerWaalsContact O-CG 3.26Å; G121-L125 WeakPolarHBondContact O-CG 3.4Å; G121-L125 PolarHBondContact O-N 3.39Å
122S79.8Confident73.3Confident49 Ų4972.6 Ų72.634%0.34341%0.406SS..Hα-helixtrans-71-40.9179.858.90000112H119 L120 L125 Q126H119-S122 PolarHBondContact O-N 3.19Å; H119-S122 VanDerWaalsContact O-N 3.17Å; H119-S122 PolarHBondContact O-OG 2.82Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 3.26Å; S122-L125 PolarHBondContact O-N 3.48Å; S122-Q126 VanDerWaalsContact O-CB 3.31Å; S122-Q126 WeakPolarHBondContact O-CB 3.37Å; S122-Q126 WeakPolarHBondContact O-CG 3.37Å; S122-Q126 PolarHBondContact O-N 3.49Å
123H84Confident75.6Confident88 Ų8871.2 Ų71.241%0.40739%0.392SS..Hα-helixtrans-64.5-40.8175.4-74.1-53.1000112.9H119 L120 S127H119-H123 PolarHBondContact O-CD2 3.28Å; H119-H123 VanDerWaalsContact O-CD2 3.28Å; H119-H123 PolarHBondContact O-N 3.4Å; L120-H123 PolarHBondContact O-N 3.15Å; H123-S127 WeakPolarHBondContact O-CB 3.29Å; H123-S127 PolarHBondContact O-N 3Å; H123-S127 PolarHBondContact O-OG 2.97Å
124I86.6Confident77.7Confident87 Ų8767.8 Ų67.845%0.44638%0.375SS..Hα-helixtrans-60.2-51.9175-70.3167.6000109.6L120 Q126 S127 L128L120-I124 HydrophobicContact CD1-CD1 4.12Å; L120-I124 HydrophobicContact CD1-CG1 4.31Å; L120-I124 HydrophobicContact CD2-CD1 4.44Å; L120-I124 HydrophobicContact CG-CD1 3.74Å; L120-I124 HydrophobicContact CG-CG1 4.37Å; L120-I124 WeakPolarHBondContact O-CB 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.44Å; L120-I124 PolarHBondContact O-N 3.45Å; I124-Q126 PolarHBondContact O-N 3.29Å; I124-S127 PolarHBondContact O-N 3.4Å; I124-L128 HydrophobicContact CG2-CD1 4.27Å; I124-L128 WeakPolarHBondContact O-CG 3.49Å; I124-L128 PolarHBondContact O-N 3.24Å
125L86.4Confident79.8Confident34 Ų3462.1 Ų62.118%0.17835%0.349CS..Hα-helixtrans-65.5-36.3-177.3-69.4178.6000113G121 S122 S127 L128 V132 S145 T147G121-L125 WeakPolarHBondContact O-CB 3.12Å; G121-L125 VanDerWaalsContact O-CG 3.26Å; G121-L125 WeakPolarHBondContact O-CG 3.4Å; G121-L125 PolarHBondContact O-N 3.39Å; S122-L125 PolarHBondContact O-N 3.48Å; L125-S127 VanDerWaalsContact C-N 3.31Å; L125-L128 HydrophobicContact CD2-CD1 4.48Å; L125-L128 PolarHBondContact O-N 2.98Å; L125-V132 HydrophobicContact CD2-CG2 4.19Å; L125-S145 VanDerWaalsContact CD2-CB 3.47Å; L125-T147 HydrophobicContact CB-CG2 4.04Å
126Q85.8Confident81.8Confident146 Ų14658 Ų5868%0.68232%0.323SS*.Hα-helixtrans-70.2-27.5176.4-74.8174.7-6.600113.2S122 I124 L128S122-Q126 VanDerWaalsContact O-CB 3.31Å; S122-Q126 WeakPolarHBondContact O-CB 3.37Å; S122-Q126 WeakPolarHBondContact O-CG 3.37Å; S122-Q126 PolarHBondContact O-N 3.49Å; I124-Q126 PolarHBondContact O-N 3.29Å; Q126-L128 VanDerWaalsContact C-N 3.3Å
127S88.4Confident83.9Confident102 Ų10258.3 Ų58.371%0.71333%0.326SS*.Hα-helixtrans-79.4-14.6179.2-57.90000112.8H123 I124 L125H123-S127 WeakPolarHBondContact O-CB 3.29Å; H123-S127 PolarHBondContact O-N 3Å; H123-S127 PolarHBondContact O-OG 2.97Å; I124-S127 PolarHBondContact O-N 3.4Å; L125-S127 VanDerWaalsContact C-N 3.31Å
128L88.7Confident85.6Confident48 Ų4858.7 Ų58.725%0.25133%0.328SS..  trans-87.5124.8-179.6-67.9169.7000111.1I124 L125 Q126 G130 V132 Y151I124-L128 HydrophobicContact CG2-CD1 4.27Å; I124-L128 WeakPolarHBondContact O-CG 3.49Å; I124-L128 PolarHBondContact O-N 3.24Å; L125-L128 HydrophobicContact CD2-CD1 4.48Å; L125-L128 PolarHBondContact O-N 2.98Å; Q126-L128 VanDerWaalsContact C-N 3.3Å; L128-G130 PolarHBondContact O-N 3.16Å; L128-V132 HydrophobicContact CD1-CG2 3.42Å; L128-V132 VanDerWaalsContact CD1-CG2 3.42Å; L128-Y151 PolarHBondContact O-OH 3.01Å
129D90.4Very high87.3Confident67 Ų6755 Ų5536%0.35830%0.297SS..SBendtrans-78.354.4166.9-159.6-0.5000110.1Y151 R245D129-Y151 WeakPolarHBondContact CA-OH 3.43Å; D129-R245 IonicContact OD2-NE 3.89Å; D129-R245 IonicContact OD2-NH2 3.21Å; D129-R245 PolarHBondContact OD2-NH2 3.09Å
130G91.2Very high88.5Confident3 Ų354.4 Ų54.43%0.03129%0.294CS..EExtended strand (participates in β ladder)trans175.9-161.8-179.900000113L128 T147 Y151L128-G130 PolarHBondContact O-N 3.16Å; G130-T147 PolarHBondContact O-OG1 3.44Å; G130-Y151 VanDerWaalsContact C-CE2 3.41Å; G130-Y151 PolarHBondContact N-OH 3.17Å; G130-Y151 WeakPolarHBondContact O-CE2 3.34Å
131F93.3Very high89.4Confident10 Ų1051 Ų514%0.04428%0.275CS..EExtended strand (participates in β ladder)trans-128154.5174.560.5-89.1000110.5F133 I144 S145 T147 V148 Y151 L152 W241F131-F133 AromaticContact CD2-CD1 3.87Å; F131-F133 HydrophobicContact CD2-CD1 3.87Å; F131-F133 AromaticContact CE2-CD1 3.61Å; F131-F133 HydrophobicContact CE2-CD1 3.61Å; F131-F133 HydrophobicContact CE2-CE1 4.05Å; F131-I144 HydrophobicContact CD2-CD1 3.92Å; F131-I144 HydrophobicContact CD2-CG1 4.12Å; F131-I144 HydrophobicContact CE2-CD1 3.96Å; F131-S145 WeakPolarHBondContact CA-OG 3.1Å; F131-S145 WeakPolarHBondContact CB-OG 3.43Å; F131-T147 WeakPolarHBondContact CA-OG1 3.23Å; F131-T147 WeakPolarHBondContact CB-OG1 3.3Å; F131-V148 HydrophobicContact CB-CB 4.07Å; F131-V148 HydrophobicContact CD1-CB 4.29Å; F131-V148 HydrophobicContact CD1-CG2 4.09Å; F131-V148 HydrophobicContact CD2-CB 4.15Å; F131-V148 HydrophobicContact CD2-CG2 4.05Å; F131-V148 HydrophobicContact CE1-CG2 4.16Å; F131-V148 HydrophobicContact CE2-CG2 4.12Å; F131-V148 HydrophobicContact CG-CB 3.91Å; F131-V148 HydrophobicContact CG-CG2 4.03Å; F131-V148 HydrophobicContact CZ-CG2 4.17Å; F131-Y151 HydrophobicContact CD1-CD2 4.16Å; F131-Y151 HydrophobicContact CD1-CG 4.42Å; F131-L152 HydrophobicContact CE1-CD1 3.85Å; F131-L152 HydrophobicContact CE1-CG 4.05Å; F131-L152 HydrophobicContact CZ-CD1 3.72Å; F131-L152 HydrophobicContact CZ-CG 4.43Å; F131-W241 HydrophobicContact CD1-CB 4.31Å; F131-W241 HydrophobicContact CE1-CB 3.54Å; F131-W241 HydrophobicContact CE1-CE3 4.49Å; F131-W241 HydrophobicContact CE1-CG 4.34Å; F131-W241 HydrophobicContact CE2-CB 4.02Å; F131-W241 HydrophobicContact CZ-CB 3.37Å; F131-W241 HydrophobicContact CZ-CD2 4.26Å; F131-W241 HydrophobicContact CZ-CE3 4.41Å; F131-W241 AromaticContact CZ-CG 3.86Å; F131-W241 HydrophobicContact CZ-CG 3.86Å
132V93.1Very high90.2Very high27 Ų2749.4 Ų49.416%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-107138.1179.3-178.50000108.1L125 L128 I144 S145 L238L125-V132 HydrophobicContact CD2-CG2 4.19Å; L128-V132 HydrophobicContact CD1-CG2 3.42Å; L128-V132 VanDerWaalsContact CD1-CG2 3.42Å; V132-I144 CarbonylContact O-C 3.55Å; V132-I144 WeakPolarHBondContact O-CA 3.33Å; V132-S145 PolarHBondContact N-OG 3.25Å; V132-S145 PolarHBondContact O-N 3.14Å; V132-S145 PolarHBondContact O-OG 3.4Å; V132-L238 HydrophobicContact CG1-CD1 4.19Å
133F94.3Very high90.9Very high16 Ų1651.1 Ų51.17%0.0726%0.255CS..EExtended strand (participates in β ladder)trans-144.4160.8174.564.7-88.3000111.2F131 L135 F141 Y143 I144F131-F133 AromaticContact CD2-CD1 3.87Å; F131-F133 HydrophobicContact CD2-CD1 3.87Å; F131-F133 AromaticContact CE2-CD1 3.61Å; F131-F133 HydrophobicContact CE2-CD1 3.61Å; F131-F133 HydrophobicContact CE2-CE1 4.05Å; F133-L135 HydrophobicContact CD2-CD1 4.32Å; F133-L135 HydrophobicContact CD2-CD2 4.07Å; F133-L135 HydrophobicContact CD2-CG 3.83Å; F133-L135 HydrophobicContact CE2-CD1 3.87Å; F133-L135 HydrophobicContact CE2-CD2 4.42Å; F133-L135 HydrophobicContact CE2-CG 3.87Å; F133-F141 HydrophobicContact CB-CD1 4.21Å; F133-F141 HydrophobicContact CB-CE1 4.26Å; F133-F141 HydrophobicContact CD2-CD1 4.37Å; F133-F141 HydrophobicContact CD2-CE1 4.07Å; F133-F141 HydrophobicContact CG-CE1 4.22Å; F133-Y143 CarbonylContact C-O 3.52Å; F133-Y143 WeakPolarHBondContact CA-O 3.49Å; F133-Y143 WeakPolarHBondContact CB-O 3.33Å; F133-I144 HydrophobicContact CB-CB 4.09Å; F133-I144 HydrophobicContact CB-CD1 4.03Å; F133-I144 HydrophobicContact CB-CG1 3.95Å
134A92.6Very high91.4Very high4 Ų447 Ų473%0.03324%0.236CC..EExtended strand (participates in β ladder)trans-131130.3173.400000109M73 F76 L142 Y143M73-A134 HydrophobicContact CE-CB 3.54Å; F76-A134 HydrophobicContact CE1-CB 4.45Å; A134-L142 PolarHBondContact O-N 3.18Å; A134-Y143 PolarHBondContact N-O 3.48Å; A134-Y143 PolarHBondContact O-N 3.11Å
135L93.4Very high91.7Very high4 Ų442.9 Ų42.92%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-106.9152.4177.3-59.3178.7000110.2F133 K140 F141 V164 L180F133-L135 HydrophobicContact CD2-CD1 4.32Å; F133-L135 HydrophobicContact CD2-CD2 4.07Å; F133-L135 HydrophobicContact CD2-CG 3.83Å; F133-L135 HydrophobicContact CE2-CD1 3.87Å; F133-L135 HydrophobicContact CE2-CD2 4.42Å; F133-L135 HydrophobicContact CE2-CG 3.87Å; L135-K140 WeakPolarHBondContact CA-O 3.32Å; L135-F141 HydrophobicContact CD2-CB 4.42Å; L135-F141 HydrophobicContact CD2-CD1 3.38Å; L135-F141 HydrophobicContact CD2-CE1 3.66Å; L135-F141 HydrophobicContact CD2-CG 3.87Å; L135-F141 HydrophobicContact CD2-CZ 4.36Å; L135-V164 HydrophobicContact CD1-CB 4.08Å; L135-V164 HydrophobicContact CD1-CG1 4.04Å; L135-V164 HydrophobicContact CD1-CG2 4.18Å; L135-V164 HydrophobicContact CD2-CB 4.14Å; L135-L180 HydrophobicContact CD1-CD1 4.16Å; L135-L180 HydrophobicContact CD1-CD2 4Å
136N91.3Very high91.9Very high12 Ų1247.5 Ų47.56%0.06424%0.236CC..  trans-84.9175.6164.472.55.3000111.3E138 G139 K140 L142N136-E138 PolarHBondContact ND2-OE2 2.99Å; N136-E138 PolarHBondContact O-N 3.03Å; N136-E138 VanDerWaalsContact O-N 3.1Å; N136-E138 VanDerWaalsContact OD1-C 3.27Å; N136-E138 WeakPolarHBondContact OD1-CA 3.47Å; N136-E138 WeakPolarHBondContact OD1-CB 3.44Å; N136-E138 PolarHBondContact OD1-N 3.37Å; N136-G139 PolarHBondContact O-N 2.84Å; N136-G139 PolarHBondContact OD1-N 3.32Å; N136-K140 PolarHBondContact N-O 3.15Å; N136-K140 PolarHBondContact OD1-N 2.86Å; N136-L142 HydrophobicContact CB-CD1 3.92Å; N136-L142 HydrophobicContact CB-CD2 4Å; N136-L142 HydrophobicContact CB-CG 3.9Å
137Q89.5Confident92.3Very high134 Ų13441.5 Ų41.563%0.62621%0.209SC*.THydrogen-bonded Turntrans-62.3-14.1176.669-179.86000114.3M182Q137-M182 WeakPolarHBondContact O-CE 3.26Å
138E90.1Very high92.6Very high90 Ų9036.7 Ų36.742%0.42118%0.175SC..THydrogen-bonded Turntrans-96.33.2174-57.991.6-151.100112.7N136 K140 M182N136-E138 PolarHBondContact ND2-OE2 2.99Å; N136-E138 PolarHBondContact O-N 3.03Å; N136-E138 VanDerWaalsContact O-N 3.1Å; N136-E138 VanDerWaalsContact OD1-C 3.27Å; N136-E138 WeakPolarHBondContact OD1-CA 3.47Å; N136-E138 WeakPolarHBondContact OD1-CB 3.44Å; N136-E138 PolarHBondContact OD1-N 3.37Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-M182 WeakPolarHBondContact O-CE 3.48Å
139G92Very high92.8Very high0 Ų037 Ų370%018%0.182CC..SBendtrans7814.9179.500000113.9N136 V164N136-G139 PolarHBondContact O-N 2.84Å; N136-G139 PolarHBondContact OD1-N 3.32Å; G139-V164 WeakPolarHBondContact O-CB 3.49Å; G139-V164 VanDerWaalsContact O-CG1 3.29Å; G139-V164 WeakPolarHBondContact O-CG1 3.48Å; G139-V164 PolarHBondContact O-N 3.21Å
140K94.9Very high93Very high94 Ų9439.6 Ų39.641%0.40919%0.194SC..BIsolated β-bridgetrans-84.7140.3174.5-56.6-171.6177.6-162.40111.3L135 N136 E138 L142 S162L135-K140 WeakPolarHBondContact CA-O 3.32Å; N136-K140 PolarHBondContact N-O 3.15Å; N136-K140 PolarHBondContact OD1-N 2.86Å; E138-K140 VanDerWaalsContact C-N 3.33Å; K140-L142 PolarHBondContact O-N 2.89Å; K140-L142 VanDerWaalsContact O-N 3.15Å; K140-S162 VanDerWaalsContact CA-O 3.27Å; K140-S162 WeakPolarHBondContact CA-O 3.41Å
141F95.7Very high93Very high11 Ų1142.1 Ų42.15%0.04820%0.203CC..EExtended strand (participates in β ladder)trans-66.6110.6174.5-66.9-75.7000111.1F133 L135 I144 L159 G161 S162 V164 Y167F133-F141 HydrophobicContact CB-CD1 4.21Å; F133-F141 HydrophobicContact CB-CE1 4.26Å; F133-F141 HydrophobicContact CD2-CD1 4.37Å; F133-F141 HydrophobicContact CD2-CE1 4.07Å; F133-F141 HydrophobicContact CG-CE1 4.22Å; L135-F141 HydrophobicContact CD2-CB 4.42Å; L135-F141 HydrophobicContact CD2-CD1 3.38Å; L135-F141 HydrophobicContact CD2-CE1 3.66Å; L135-F141 HydrophobicContact CD2-CG 3.87Å; L135-F141 HydrophobicContact CD2-CZ 4.36Å; F141-I144 HydrophobicContact CD1-CD1 4.15Å; F141-I144 HydrophobicContact CE1-CD1 3.94Å; F141-L159 WeakPolarHBondContact CB-O 3.4Å; F141-L159 HydrophobicContact CD2-CB 4.3Å; F141-L159 HydrophobicContact CD2-CD2 4.4Å; F141-L159 VanDerWaalsContact CD2-O 3.3Å; F141-L159 WeakPolarHBondContact CD2-O 3.41Å; F141-L159 HydrophobicContact CE2-CD2 3.89Å; F141-L159 HydrophobicContact CZ-CD2 4.38Å; F141-G161 WeakPolarHBondContact O-CA 3.39Å; F141-G161 PolarHBondContact O-N 2.85Å; F141-S162 WeakPolarHBondContact CD2-O 3.47Å; F141-S162 PolarHBondContact N-O 3.4Å; F141-V164 HydrophobicContact CE1-CG2 4.37Å; F141-V164 HydrophobicContact CE2-CB 4.12Å; F141-V164 HydrophobicContact CE2-CG2 4.35Å; F141-V164 HydrophobicContact CZ-CB 3.99Å; F141-V164 HydrophobicContact CZ-CG2 3.77Å; F141-Y167 AromaticContact CE2-CD2 3.98Å; F141-Y167 HydrophobicContact CE2-CD2 3.98Å; F141-Y167 HydrophobicContact CE2-CE2 4.35Å
142L93.6Very high93Very high11 Ų1145.4 Ų45.46%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-79.4-37168.7-65.1-176.6000111K72 M73 F76 A134 N136 K140K72-L142 HydrophobicContact CB-CD2 3.58Å; K72-L142 HydrophobicContact CD-CD2 4.26Å; M73-L142 HydrophobicContact CB-CB 4.22Å; M73-L142 HydrophobicContact CE-CB 3.94Å; F76-L142 HydrophobicContact CB-CD1 3.87Å; F76-L142 HydrophobicContact CD1-CD1 4.19Å; F76-L142 HydrophobicContact CD2-CD1 4.4Å; F76-L142 HydrophobicContact CG-CD1 3.86Å; A134-L142 PolarHBondContact O-N 3.18Å; N136-L142 HydrophobicContact CB-CD1 3.92Å; N136-L142 HydrophobicContact CB-CD2 4Å; N136-L142 HydrophobicContact CB-CG 3.9Å; K140-L142 PolarHBondContact O-N 2.89Å; K140-L142 VanDerWaalsContact O-N 3.15Å
143Y94.1Very high93Very high86 Ų8647.2 Ų47.234%0.33725%0.245SC..EExtended strand (participates in β ladder)trans-150.3148.1175.2172.2-97.6000110M73 F133 A134M73-Y143 HydrophobicContact CE-CG 4.09Å; F133-Y143 CarbonylContact C-O 3.52Å; F133-Y143 WeakPolarHBondContact CA-O 3.49Å; F133-Y143 WeakPolarHBondContact CB-O 3.33Å; A134-Y143 PolarHBondContact N-O 3.48Å; A134-Y143 PolarHBondContact O-N 3.11Å
144I93.8Very high93Very high1 Ų148.6 Ų48.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-147.2141.3167-172152.3000108.6F131 V132 F133 F141 V148 Q156 L159F131-I144 HydrophobicContact CD2-CD1 3.92Å; F131-I144 HydrophobicContact CD2-CG1 4.12Å; F131-I144 HydrophobicContact CE2-CD1 3.96Å; V132-I144 CarbonylContact O-C 3.55Å; V132-I144 WeakPolarHBondContact O-CA 3.33Å; F133-I144 HydrophobicContact CB-CB 4.09Å; F133-I144 HydrophobicContact CB-CD1 4.03Å; F133-I144 HydrophobicContact CB-CG1 3.95Å; F141-I144 HydrophobicContact CD1-CD1 4.15Å; F141-I144 HydrophobicContact CE1-CD1 3.94Å; I144-V148 HydrophobicContact CD1-CB 4.08Å; I144-V148 HydrophobicContact CD1-CG1 4.28Å; I144-V148 HydrophobicContact CD1-CG2 3.91Å; I144-V148 HydrophobicContact CG1-CB 4.07Å; I144-V148 HydrophobicContact CG1-CG1 4.11Å; I144-V148 HydrophobicContact CG1-CG2 4.45Å; I144-Q156 HydrophobicContact CG2-CB 4.49Å; I144-Q156 HydrophobicContact CG2-CG 3.9Å; I144-Q156 WeakPolarHBondContact O-CG 3.36Å; I144-Q156 PolarHBondContact O-NE2 3.37Å; I144-L159 HydrophobicContact CD1-CD1 3.8Å; I144-L159 HydrophobicContact CG2-CB 3.99Å
145S92.9Very high93.2Very high0 Ų051.1 Ų51.10%027%0.27CS..  trans-72.6147.8178.960.50000111.5L125 F131 V132 T147 V148L125-S145 VanDerWaalsContact CD2-CB 3.47Å; F131-S145 WeakPolarHBondContact CA-OG 3.1Å; F131-S145 WeakPolarHBondContact CB-OG 3.43Å; V132-S145 PolarHBondContact N-OG 3.25Å; V132-S145 PolarHBondContact O-N 3.14Å; V132-S145 PolarHBondContact O-OG 3.4Å; S145-T147 PolarHBondContact O-N 3.24Å; S145-T147 PolarHBondContact OG-OG1 2.97Å; S145-V148 VanDerWaalsContact O-CG1 3.3Å; S145-V148 WeakPolarHBondContact O-CG1 3.02Å; S145-V148 PolarHBondContact O-N 3.38Å; S145-V148 VanDerWaalsContact O-N 3.14Å
146E91.3Very high93.2Very high132 Ų13252.8 Ų52.862%0.61728%0.278SS*.THydrogen-bonded Turntrans-57.2-25.3177.3-169.6179.617800112.7V148 S149E146-V148 PolarHBondContact O-N 3.22Å; E146-V148 VanDerWaalsContact O-N 3.08Å; E146-S149 PolarHBondContact O-N 3.34Å; E146-S149 PolarHBondContact O-OG 3.47Å
147T93.1Very high93.5Very high20 Ų2053.3 Ų53.312%0.12328%0.282CS..THydrogen-bonded Turntrans-59.6-18.6177.959.50000114L125 G130 F131 S145 S149 I150 Y151L125-T147 HydrophobicContact CB-CG2 4.04Å; G130-T147 PolarHBondContact O-OG1 3.44Å; F131-T147 WeakPolarHBondContact CA-OG1 3.23Å; F131-T147 WeakPolarHBondContact CB-OG1 3.3Å; S145-T147 PolarHBondContact O-N 3.24Å; S145-T147 PolarHBondContact OG-OG1 2.97Å; T147-S149 PolarHBondContact O-N 2.91Å; T147-S149 VanDerWaalsContact O-N 3.14Å; T147-I150 WeakPolarHBondContact O-CB 3.5Å; T147-I150 PolarHBondContact O-N 3.45Å; T147-Y151 WeakPolarHBondContact O-CD2 3.31Å
148V94.8Very high93.7Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-54.4-32.5174.7680000112.7F131 I144 S145 E146 I150 Y151 L152 L159F131-V148 HydrophobicContact CB-CB 4.07Å; F131-V148 HydrophobicContact CD1-CB 4.29Å; F131-V148 HydrophobicContact CD1-CG2 4.09Å; F131-V148 HydrophobicContact CD2-CB 4.15Å; F131-V148 HydrophobicContact CD2-CG2 4.05Å; F131-V148 HydrophobicContact CE1-CG2 4.16Å; F131-V148 HydrophobicContact CE2-CG2 4.12Å; F131-V148 HydrophobicContact CG-CB 3.91Å; F131-V148 HydrophobicContact CG-CG2 4.03Å; F131-V148 HydrophobicContact CZ-CG2 4.17Å; I144-V148 HydrophobicContact CD1-CB 4.08Å; I144-V148 HydrophobicContact CD1-CG1 4.28Å; I144-V148 HydrophobicContact CD1-CG2 3.91Å; I144-V148 HydrophobicContact CG1-CB 4.07Å; I144-V148 HydrophobicContact CG1-CG1 4.11Å; I144-V148 HydrophobicContact CG1-CG2 4.45Å; S145-V148 VanDerWaalsContact O-CG1 3.3Å; S145-V148 WeakPolarHBondContact O-CG1 3.02Å; S145-V148 PolarHBondContact O-N 3.38Å; S145-V148 VanDerWaalsContact O-N 3.14Å; E146-V148 PolarHBondContact O-N 3.22Å; E146-V148 VanDerWaalsContact O-N 3.08Å; V148-I150 PolarHBondContact O-N 3.01Å; V148-Y151 PolarHBondContact O-N 3.46Å; V148-Y151 VanDerWaalsContact O-N 3.15Å; V148-L152 HydrophobicContact CG2-CB 4.28Å; V148-L152 HydrophobicContact CG2-CD1 3.93Å; V148-L152 HydrophobicContact CG2-CG 4.27Å; V148-L152 PolarHBondContact O-N 3.35Å; V148-L159 HydrophobicContact CB-CD1 4.45Å; V148-L159 HydrophobicContact CG1-CD1 3.88Å; V148-L159 HydrophobicContact CG2-CD1 3.78Å
149S94.4Very high94Very high55 Ų5547 Ų4739%0.38525%0.252SS..Hα-helixtrans-59.3-3217760.70000112.9E146 T147 G153 L154E146-S149 PolarHBondContact O-N 3.34Å; E146-S149 PolarHBondContact O-OG 3.47Å; T147-S149 PolarHBondContact O-N 2.91Å; T147-S149 VanDerWaalsContact O-N 3.14Å; S149-G153 WeakPolarHBondContact O-CA 3.3Å; S149-G153 PolarHBondContact O-N 3.18Å; S149-L154 VanDerWaalsContact CA-O 3.3Å; S149-L154 WeakPolarHBondContact CA-O 3.5Å
150I93.1Very high94.2Very high121 Ų12147.8 Ų47.862%0.62126%0.257SS*.Hα-helixtrans-74.4-33.8-179.5-55.7168.4000111T147 V148T147-I150 WeakPolarHBondContact O-CB 3.5Å; T147-I150 PolarHBondContact O-N 3.45Å; V148-I150 PolarHBondContact O-N 3.01Å
151Y92.5Very high94.2Very high56 Ų5643.9 Ų43.922%0.2224%0.243CC..Hα-helixtrans-94.7-40-173.5-62.3-81.9000113.2L128 D129 G130 F131 T147 V148 R243L128-Y151 PolarHBondContact O-OH 3.01Å; D129-Y151 WeakPolarHBondContact CA-OH 3.43Å; G130-Y151 VanDerWaalsContact C-CE2 3.41Å; G130-Y151 PolarHBondContact N-OH 3.17Å; G130-Y151 WeakPolarHBondContact O-CE2 3.34Å; F131-Y151 HydrophobicContact CD1-CD2 4.16Å; F131-Y151 HydrophobicContact CD1-CG 4.42Å; T147-Y151 WeakPolarHBondContact O-CD2 3.31Å; V148-Y151 PolarHBondContact O-N 3.46Å; V148-Y151 VanDerWaalsContact O-N 3.15Å; Y151-R243 HydrophobicContact CD1-CB 4.43Å
152L93.3Very high94.3Very high80 Ų8044.2 Ų44.242%0.41925%0.247SC..Hα-helixtrans-114.2-13-175.3-59.5-176.9000113.6F131 V148 L154 W241F131-L152 HydrophobicContact CE1-CD1 3.85Å; F131-L152 HydrophobicContact CE1-CG 4.05Å; F131-L152 HydrophobicContact CZ-CD1 3.72Å; F131-L152 HydrophobicContact CZ-CG 4.43Å; V148-L152 HydrophobicContact CG2-CB 4.28Å; V148-L152 HydrophobicContact CG2-CD1 3.93Å; V148-L152 HydrophobicContact CG2-CG 4.27Å; V148-L152 PolarHBondContact O-N 3.35Å; L152-L154 HydrophobicContact CB-CD1 4.17Å; L152-L154 HydrophobicContact CB-CG 4.19Å; L152-L154 HydrophobicContact CD1-CD1 4.43Å; L152-L154 PolarHBondContact O-N 3.03Å; L152-W241 HydrophobicContact CD2-CE3 4.47Å; L152-W241 HydrophobicContact CD2-CZ3 4.28Å
153G93.3Very high94.3Very high65 Ų6545 Ų4567%0.6725%0.253SS*.  trans74.69.2-176.300000114.5S149S149-G153 WeakPolarHBondContact O-CA 3.3Å; S149-G153 PolarHBondContact O-N 3.18Å
154L94.1Very high94.4Very high45 Ų4541.1 Ų41.124%0.23624%0.239CC..  trans-96.2148.8-177.6-62.8173.7000111.3S149 L152 L159 Y167S149-L154 VanDerWaalsContact CA-O 3.3Å; S149-L154 WeakPolarHBondContact CA-O 3.5Å; L152-L154 HydrophobicContact CB-CD1 4.17Å; L152-L154 HydrophobicContact CB-CG 4.19Å; L152-L154 HydrophobicContact CD1-CD1 4.43Å; L152-L154 PolarHBondContact O-N 3.03Å; L154-L159 HydrophobicContact CB-CD1 3.76Å; L154-L159 HydrophobicContact CB-CG 4.27Å; L154-L159 HydrophobicContact CD1-CD1 4.31Å; L154-L159 HydrophobicContact CD1-CD2 4.13Å; L154-Y167 HydrophobicContact CD1-CD1 3.68Å; L154-Y167 HydrophobicContact CD1-CE1 4.29Å; L154-Y167 HydrophobicContact CD1-CG 4.47Å
155S95.1Very high94.4Very high56 Ų5643 Ų4339%0.39225%0.247SC..  trans-82.1139.3179.3178.30000111.9V157 E158 L159S155-V157 PolarHBondContact O-N 2.87Å; S155-V157 PolarHBondContact OG-N 3.39Å; S155-E158 WeakPolarHBondContact O-CB 2.93Å; S155-E158 PolarHBondContact O-N 2.98Å; S155-E158 VanDerWaalsContact O-N 3.11Å; S155-L159 PolarHBondContact O-N 2.77Å; S155-L159 VanDerWaalsContact O-N 3.09Å
156Q95.1Very high94.5Very high39 Ų3948.7 Ų48.718%0.18228%0.277CS..Hα-helixtrans-55.1-40.2171.1-177.9-17231.600111.7I144 E158 L159 T160I144-Q156 HydrophobicContact CG2-CB 4.49Å; I144-Q156 HydrophobicContact CG2-CG 3.9Å; I144-Q156 WeakPolarHBondContact O-CG 3.36Å; I144-Q156 PolarHBondContact O-NE2 3.37Å; Q156-E158 VanDerWaalsContact C-N 3.29Å; Q156-E158 PolarHBondContact O-N 3.03Å; Q156-L159 PolarHBondContact O-N 3.01Å; Q156-T160 WeakPolarHBondContact O-CB 3.36Å; Q156-T160 PolarHBondContact O-N 2.87Å; Q156-T160 PolarHBondContact O-OG1 3.49Å
157V95.8Very high94.7Very high24 Ų2446.1 Ų46.115%0.14526%0.262CS..Hα-helixtrans-65.4-33.9-179.8174.10000111.6L50 I54 L58 R65 L66 S155L50-V157 HydrophobicContact CD1-CG2 4.46Å; I54-V157 HydrophobicContact CG2-CG2 3.9Å; L58-V157 HydrophobicContact CD2-CG1 3.48Å; L58-V157 VanDerWaalsContact CD2-CG1 3.48Å; R65-V157 PolarHBondContact NH2-O 2.7Å; L66-V157 HydrophobicContact CD1-CG1 4.19Å; S155-V157 PolarHBondContact O-N 2.87Å; S155-V157 PolarHBondContact OG-N 3.39Å
158E95.5Very high94.7Very high89 Ų8946.3 Ų46.342%0.41626%0.263SS..Hα-helixtrans-74.3-44.5179.4-175.7-178.4176.100111.1R65 S155 Q156 S162 Y167R65-E158 PolarHBondContact NH1-O 3.44Å; S155-E158 WeakPolarHBondContact O-CB 2.93Å; S155-E158 PolarHBondContact O-N 2.98Å; S155-E158 VanDerWaalsContact O-N 3.11Å; Q156-E158 VanDerWaalsContact C-N 3.29Å; Q156-E158 PolarHBondContact O-N 3.03Å; E158-S162 PolarHBondContact O-OG 2.95Å; E158-Y167 PolarHBondContact O-OH 3.19Å
159L95.8Very high94.6Very high3 Ų351.6 Ų51.62%0.01629%0.288CS..Hα-helixtrans-72.6-40.4-177.2-71.3166.8000112.9F141 I144 V148 L154 S155 Q156 G161 S162 Y167F141-L159 WeakPolarHBondContact CB-O 3.4Å; F141-L159 HydrophobicContact CD2-CB 4.3Å; F141-L159 HydrophobicContact CD2-CD2 4.4Å; F141-L159 VanDerWaalsContact CD2-O 3.3Å; F141-L159 WeakPolarHBondContact CD2-O 3.41Å; F141-L159 HydrophobicContact CE2-CD2 3.89Å; F141-L159 HydrophobicContact CZ-CD2 4.38Å; I144-L159 HydrophobicContact CD1-CD1 3.8Å; I144-L159 HydrophobicContact CG2-CB 3.99Å; V148-L159 HydrophobicContact CB-CD1 4.45Å; V148-L159 HydrophobicContact CG1-CD1 3.88Å; V148-L159 HydrophobicContact CG2-CD1 3.78Å; L154-L159 HydrophobicContact CB-CD1 3.76Å; L154-L159 HydrophobicContact CB-CG 4.27Å; L154-L159 HydrophobicContact CD1-CD1 4.31Å; L154-L159 HydrophobicContact CD1-CD2 4.13Å; S155-L159 PolarHBondContact O-N 2.77Å; S155-L159 VanDerWaalsContact O-N 3.09Å; Q156-L159 PolarHBondContact O-N 3.01Å; L159-G161 PolarHBondContact O-N 2.87Å; L159-S162 VanDerWaalsContact O-CB 3.27Å; L159-S162 WeakPolarHBondContact O-CB 3.46Å; L159-S162 PolarHBondContact O-N 2.65Å; L159-Y167 HydrophobicContact CD2-CD1 3.55Å; L159-Y167 HydrophobicContact CD2-CD2 3.59Å; L159-Y167 HydrophobicContact CD2-CE1 3.48Å; L159-Y167 VanDerWaalsContact CD2-CE1 3.48Å; L159-Y167 HydrophobicContact CD2-CE2 3.56Å; L159-Y167 HydrophobicContact CD2-CG 3.59Å; L159-Y167 VanDerWaalsContact CD2-CZ 3.5Å; L159-Y167 HydrophobicContact CG-CE1 4.43Å
160T96.3Very high94.4Very high15 Ų1553.3 Ų53.39%0.09230%0.298CS..THydrogen-bonded Turntrans-60.5122.8-175.2-57.90000111.4R65 L66 Q156 S162R65-T160 PolarHBondContact NH1-O 3.42Å; L66-T160 HydrophobicContact CD2-CG2 3.74Å; Q156-T160 WeakPolarHBondContact O-CB 3.36Å; Q156-T160 PolarHBondContact O-N 2.87Å; Q156-T160 PolarHBondContact O-OG1 3.49Å; T160-S162 VanDerWaalsContact C-N 3.29Å; T160-S162 PolarHBondContact O-N 2.77Å
161G94.8Very high94.4Very high12 Ų1250.2 Ų50.212%0.12430%0.295CS..THydrogen-bonded Turntrans84-6.7-176.600000115.8S69 F141 L159S69-G161 WeakPolarHBondContact OG-CA 3.38Å; S69-G161 PolarHBondContact OG-N 3.47Å; F141-G161 WeakPolarHBondContact O-CA 3.39Å; F141-G161 PolarHBondContact O-N 2.85Å; L159-G161 PolarHBondContact O-N 2.87Å
162S96.7Very high94.4Very high18 Ų1850.6 Ų50.613%0.12630%0.301CS..SBendtrans-87.3159.7175.8-53.80000110.8R65 K140 F141 E158 L159 T160R65-S162 PolarHBondContact NH1-OG 2.85Å; R65-S162 VanDerWaalsContact NH1-OG 3.12Å; K140-S162 VanDerWaalsContact CA-O 3.27Å; K140-S162 WeakPolarHBondContact CA-O 3.41Å; F141-S162 WeakPolarHBondContact CD2-O 3.47Å; F141-S162 PolarHBondContact N-O 3.4Å; E158-S162 PolarHBondContact O-OG 2.95Å; L159-S162 VanDerWaalsContact O-CB 3.27Å; L159-S162 WeakPolarHBondContact O-CB 3.46Å; L159-S162 PolarHBondContact O-N 2.65Å; T160-S162 VanDerWaalsContact C-N 3.29Å; T160-S162 PolarHBondContact O-N 2.77Å
163S95.6Very high94.3Very high27 Ų2749.5 Ų49.519%0.18929%0.294CS..BIsolated β-bridgetrans-76.2138.8177.9-173.90000110.5F165 D166 Y167S163-F165 PolarHBondContact O-N 3.07Å; S163-F165 WeakPolarHBondContact OG-CD2 3.36Å; S163-D166 PolarHBondContact O-N 3.41Å; S163-Y167 VanDerWaalsContact O-CD2 3.28Å; S163-Y167 WeakPolarHBondContact O-CD2 3.35Å; S163-Y167 WeakPolarHBondContact O-CE2 3.41Å
164V95Very high94.2Very high6 Ų650.3 Ų50.34%0.03629%0.286CS..G310 helixtrans-59.9-33.5174.868.60000111.6L135 G139 F141 D166 Y167 V168 M176 L180L135-V164 HydrophobicContact CD1-CB 4.08Å; L135-V164 HydrophobicContact CD1-CG1 4.04Å; L135-V164 HydrophobicContact CD1-CG2 4.18Å; L135-V164 HydrophobicContact CD2-CB 4.14Å; G139-V164 WeakPolarHBondContact O-CB 3.49Å; G139-V164 VanDerWaalsContact O-CG1 3.29Å; G139-V164 WeakPolarHBondContact O-CG1 3.48Å; G139-V164 PolarHBondContact O-N 3.21Å; F141-V164 HydrophobicContact CE1-CG2 4.37Å; F141-V164 HydrophobicContact CE2-CB 4.12Å; F141-V164 HydrophobicContact CE2-CG2 4.35Å; F141-V164 HydrophobicContact CZ-CB 3.99Å; F141-V164 HydrophobicContact CZ-CG2 3.77Å; V164-D166 PolarHBondContact O-N 2.89Å; V164-Y167 PolarHBondContact O-N 3.24Å; V164-Y167 VanDerWaalsContact O-N 3.08Å; V164-V168 HydrophobicContact CG2-CG2 3.94Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.46Å; V164-M176 HydrophobicContact CG2-CE 3.98Å; V164-L180 HydrophobicContact CG1-CD1 4.3Å
165F94.9Very high94.1Very high39 Ų3952.5 Ų52.517%0.17130%0.295CS..G310 helixtrans-64.7-23.1-178.8-60.3-74.8000113.3S163 Y167 H173 M176 A177 L180 M182S163-F165 PolarHBondContact O-N 3.07Å; S163-F165 WeakPolarHBondContact OG-CD2 3.36Å; F165-Y167 PolarHBondContact O-N 2.83Å; F165-H173 HydrophobicContact CD1-CB 4.25Å; F165-H173 PolarHBondContact O-CE1 2.92Å; F165-H173 VanDerWaalsContact O-CE1 3.29Å; F165-H173 PolarHBondContact O-NE2 3.29Å; F165-M176 HydrophobicContact CE1-CB 4.08Å; F165-A177 HydrophobicContact CE1-CB 4.2Å; F165-A177 HydrophobicContact CZ-CB 4.14Å; F165-L180 HydrophobicContact CZ-CD1 4.23Å; F165-M182 HydrophobicContact CE2-CE 4Å; F165-M182 HydrophobicContact CE2-SD 3.79Å; F165-M182 HydrophobicContact CZ-CE 4.34Å; F165-M182 HydrophobicContact CZ-SD 3.83Å
166D94.8Very high93.8Very high120 Ų12051.3 Ų51.364%0.64228%0.283SS*.G310 helixtrans-69.9-20.9177.2-60.1-25.8000112S163 V164S163-D166 PolarHBondContact O-N 3.41Å; V164-D166 PolarHBondContact O-N 2.89Å
167Y94.6Very high93.5Very high78 Ų7849.6 Ų49.631%0.30628%0.276SS..THydrogen-bonded Turntrans-112.9-11.8-175.6-54.9-87.6000113.2F141 L154 E158 L159 S163 V164 F165F141-Y167 AromaticContact CE2-CD2 3.98Å; F141-Y167 HydrophobicContact CE2-CD2 3.98Å; F141-Y167 HydrophobicContact CE2-CE2 4.35Å; L154-Y167 HydrophobicContact CD1-CD1 3.68Å; L154-Y167 HydrophobicContact CD1-CE1 4.29Å; L154-Y167 HydrophobicContact CD1-CG 4.47Å; E158-Y167 PolarHBondContact O-OH 3.19Å; L159-Y167 HydrophobicContact CD2-CD1 3.55Å; L159-Y167 HydrophobicContact CD2-CD2 3.59Å; L159-Y167 HydrophobicContact CD2-CE1 3.48Å; L159-Y167 VanDerWaalsContact CD2-CE1 3.48Å; L159-Y167 HydrophobicContact CD2-CE2 3.56Å; L159-Y167 HydrophobicContact CD2-CG 3.59Å; L159-Y167 VanDerWaalsContact CD2-CZ 3.5Å; L159-Y167 HydrophobicContact CG-CE1 4.43Å; S163-Y167 VanDerWaalsContact O-CD2 3.28Å; S163-Y167 WeakPolarHBondContact O-CD2 3.35Å; S163-Y167 WeakPolarHBondContact O-CE2 3.41Å; V164-Y167 PolarHBondContact O-N 3.24Å; V164-Y167 VanDerWaalsContact O-N 3.08Å; F165-Y167 PolarHBondContact O-N 2.83Å
168V93.5Very high93.2Very high24 Ų2454.8 Ų54.815%0.14530%0.299CS..SBendtrans-89.8144.4175.3176.20000109.9V164 D172 H173 M176V164-V168 HydrophobicContact CG2-CG2 3.94Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.46Å; V168-D172 HydrophobicContact CG1-CB 3.93Å; V168-H173 PolarHBondContact O-NE2 3.32Å; V168-M176 HydrophobicContact CG1-CG 4.14Å; V168-M176 HydrophobicContact CG2-CE 4.25Å
169H93.1Very high92.8Very high112 Ų11255.6 Ų55.652%0.51930%0.302SS..  trans-60.4135.8175.4-174.6-90.6000111G171 D172 H173H169-G171 PolarHBondContact ND1-N 2.95Å; H169-G171 VanDerWaalsContact ND1-N 3.13Å; H169-G171 PolarHBondContact O-N 3.21Å; H169-D172 PolarHBondContact O-N 2.94Å; H169-H173 PolarHBondContact O-CD2 2.69Å; H169-H173 VanDerWaalsContact O-CD2 3.22Å
170P89.8Confident92.4Very high91 Ų9155.9 Ų55.959%0.59130%0.304SS*.G310 helixtrans-59.3-26.4-174.422.2-34.6000114.4D172 H173P170-D172 PolarHBondContact O-N 3.38Å; P170-H173 PolarHBondContact O-N 3.48Å
171G92.9Very high91.8Very high55 Ų5557.7 Ų57.757%0.56733%0.326SS*.G310 helixtrans-63.4-24.717400000114.4H169H169-G171 PolarHBondContact ND1-N 2.95Å; H169-G171 VanDerWaalsContact ND1-N 3.13Å; H169-G171 PolarHBondContact O-N 3.21Å
172D93.4Very high91.2Very high64 Ų6459.4 Ų59.434%0.34233%0.331SS..G310 helixtrans-103.92.1-174.8-53.8-21.5000111.7V168 H169 P170 V174 E175 M176V168-D172 HydrophobicContact CG1-CB 3.93Å; H169-D172 PolarHBondContact O-N 2.94Å; P170-D172 PolarHBondContact O-N 3.38Å; D172-V174 VanDerWaalsContact C-N 3.34Å; D172-V174 PolarHBondContact O-N 3.46Å; D172-E175 PolarHBondContact O-N 3.05Å; D172-M176 WeakPolarHBondContact O-CG 3.19Å; D172-M176 PolarHBondContact O-N 3.02Å
173H91.3Very high89.5Confident57 Ų5767.7 Ų67.726%0.26437%0.365SS..Hα-helixtrans-63-38.8-177.4-75.9-172.1000112.8F165 V168 H169 P170 A177F165-H173 HydrophobicContact CD1-CB 4.25Å; F165-H173 PolarHBondContact O-CE1 2.92Å; F165-H173 VanDerWaalsContact O-CE1 3.29Å; F165-H173 PolarHBondContact O-NE2 3.29Å; V168-H173 PolarHBondContact O-NE2 3.32Å; H169-H173 PolarHBondContact O-CD2 2.69Å; H169-H173 VanDerWaalsContact O-CD2 3.22Å; P170-H173 PolarHBondContact O-N 3.48Å; H173-A177 VanDerWaalsContact O-CB 3.31Å; H173-A177 WeakPolarHBondContact O-CB 3.29Å; H173-A177 PolarHBondContact O-N 3.46Å
174V91.3Very high87.5Confident82 Ų8270.4 Ų70.450%0.49738%0.377SS..Hα-helixtrans-64.4-48.6179.5175.80000110.3D172 M176 A177 E178 L184D172-V174 VanDerWaalsContact C-N 3.34Å; D172-V174 PolarHBondContact O-N 3.46Å; V174-M176 PolarHBondContact O-N 2.93Å; V174-A177 PolarHBondContact O-N 2.97Å; V174-E178 WeakPolarHBondContact O-CG 3.46Å; V174-E178 PolarHBondContact O-N 2.94Å; V174-L184 HydrophobicContact CB-CD1 4.38Å; V174-L184 HydrophobicContact CG1-CD1 3.89Å; V174-L184 HydrophobicContact CG2-CD1 4.41Å
175E90.4Very high85.5Confident92 Ų9275.2 Ų75.243%0.4341%0.408SS..Hα-helixtrans-61.6-43.6178.8-170.4-174.9159.300111.3D172 A177 E178 Q179D172-E175 PolarHBondContact O-N 3.05Å; E175-A177 PolarHBondContact O-N 3.27Å; E175-E178 PolarHBondContact O-N 2.67Å; E175-Q179 WeakPolarHBondContact O-CG 3.49Å; E175-Q179 PolarHBondContact O-N 3.5Å; E175-Q179 PolarHBondContact OE1-NE2 2.9Å
176M88.5Confident83Confident30 Ų3079.5 Ų79.515%0.14844%0.44CS..Hα-helixtrans-64.7-39.5176.9-75.8-69.2-73.400112.7V164 F165 V168 D172 V174 Q179 L180V164-M176 HydrophobicContact CG2-CE 3.98Å; F165-M176 HydrophobicContact CE1-CB 4.08Å; V168-M176 HydrophobicContact CG1-CG 4.14Å; V168-M176 HydrophobicContact CG2-CE 4.25Å; D172-M176 WeakPolarHBondContact O-CG 3.19Å; D172-M176 PolarHBondContact O-N 3.02Å; V174-M176 PolarHBondContact O-N 2.93Å; M176-Q179 PolarHBondContact O-N 3.47Å; M176-L180 WeakPolarHBondContact O-CG 3.34Å; M176-L180 PolarHBondContact O-N 3.27Å; M176-L180 VanDerWaalsContact O-N 3.09Å
177A89.4Confident80.9Confident4 Ų477.3 Ų77.33%0.03345%0.446CS..Hα-helixtrans-64.5-41.8176.800000111.4F165 H173 V174 E175 L180 G181 M182 L184F165-A177 HydrophobicContact CE1-CB 4.2Å; F165-A177 HydrophobicContact CZ-CB 4.14Å; H173-A177 VanDerWaalsContact O-CB 3.31Å; H173-A177 WeakPolarHBondContact O-CB 3.29Å; H173-A177 PolarHBondContact O-N 3.46Å; V174-A177 PolarHBondContact O-N 2.97Å; E175-A177 PolarHBondContact O-N 3.27Å; A177-L180 PolarHBondContact O-N 3.43Å; A177-G181 PolarHBondContact O-N 2.97Å; A177-M182 HydrophobicContact CB-CB 4.17Å; A177-M182 WeakPolarHBondContact O-CB 3.43Å; A177-M182 PolarHBondContact O-N 2.83Å; A177-L184 HydrophobicContact CB-CD1 4.1Å; A177-L184 HydrophobicContact CB-CD2 4.43Å; A177-L184 HydrophobicContact CB-CG 4.15Å
178E89.5Confident78.6Confident133 Ų13385.7 Ų85.762%0.62148%0.477SS*.Hα-helixtrans-62.1-44.5174.9-73178.1174.500111.8V174 E175 L180 G181V174-E178 WeakPolarHBondContact O-CG 3.46Å; V174-E178 PolarHBondContact O-N 2.94Å; E175-E178 PolarHBondContact O-N 2.67Å; E178-L180 PolarHBondContact O-N 3.15Å; E178-G181 PolarHBondContact O-N 2.75Å
179Q88.4Confident76.1Confident105 Ų10588 Ų8849%0.49151%0.506SS..Hα-helixtrans-62.8-28.8176.6-72.4-177.126.900113.2E175 M176 G181E175-Q179 WeakPolarHBondContact O-CG 3.49Å; E175-Q179 PolarHBondContact O-N 3.5Å; E175-Q179 PolarHBondContact OE1-NE2 2.9Å; M176-Q179 PolarHBondContact O-N 3.47Å; Q179-G181 VanDerWaalsContact C-N 3.31Å
180L86.3Confident73.9Confident9 Ų990.2 Ų90.25%0.04752%0.521CS..THydrogen-bonded Turntrans-86.60.8176.2-68.1171.3000113.3L135 V164 F165 M176 A177 E178 M182 C235 T237L135-L180 HydrophobicContact CD1-CD1 4.16Å; L135-L180 HydrophobicContact CD1-CD2 4Å; V164-L180 HydrophobicContact CG1-CD1 4.3Å; F165-L180 HydrophobicContact CZ-CD1 4.23Å; M176-L180 WeakPolarHBondContact O-CG 3.34Å; M176-L180 PolarHBondContact O-N 3.27Å; M176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 3.43Å; E178-L180 PolarHBondContact O-N 3.15Å; L180-M182 HydrophobicContact CB-CE 4.22Å; L180-M182 HydrophobicContact CB-CG 4.05Å; L180-M182 HydrophobicContact CD1-CE 3.95Å; L180-M182 PolarHBondContact O-N 3.02Å; L180-C235 WeakPolarHBondContact O-CB 3.49Å; L180-T237 WeakPolarHBondContact CD2-OG1 3.36Å
181G83.5Confident71.4Confident54 Ų5494.8 Ų94.856%0.55754%0.539SS*.THydrogen-bonded Turntrans66.119.4-175.600000113.1A177 E178 Q179 K183A177-G181 PolarHBondContact O-N 2.97Å; E178-G181 PolarHBondContact O-N 2.75Å; Q179-G181 VanDerWaalsContact C-N 3.31Å; G181-K183 PolarHBondContact O-N 3.49Å
182M82.8Confident68.8Low47 Ų4797.3 Ų97.323%0.23255%0.548CS..  trans-74.3113.4175.5-66-168.2-173.900108.7Q137 E138 F165 A177 L180 L184Q137-M182 WeakPolarHBondContact O-CE 3.26Å; E138-M182 WeakPolarHBondContact O-CE 3.48Å; F165-M182 HydrophobicContact CE2-CE 4Å; F165-M182 HydrophobicContact CE2-SD 3.79Å; F165-M182 HydrophobicContact CZ-CE 4.34Å; F165-M182 HydrophobicContact CZ-SD 3.83Å; A177-M182 HydrophobicContact CB-CB 4.17Å; A177-M182 WeakPolarHBondContact O-CB 3.43Å; A177-M182 PolarHBondContact O-N 2.83Å; L180-M182 HydrophobicContact CB-CE 4.22Å; L180-M182 HydrophobicContact CB-CG 4.05Å; L180-M182 HydrophobicContact CD1-CE 3.95Å; L180-M182 PolarHBondContact O-N 3.02Å; M182-L184 VanDerWaalsContact C-N 3.31Å; M182-L184 PolarHBondContact O-N 3.38Å
183K59.8Low66.2Low193 Ų193103.6 Ų103.684%0.83958%0.575SS**  trans-67.493.7174.5-164.2174.4-175.9-178.50108.7G181G181-K183 PolarHBondContact O-N 3.49Å
184L54.9Low63.3Low84 Ų84103.8 Ų103.844%0.4459%0.592SS.*  trans-55.5132.7162.5-74.1164.4000107V174 A177 M182V174-L184 HydrophobicContact CB-CD1 4.38Å; V174-L184 HydrophobicContact CG1-CD1 3.89Å; V174-L184 HydrophobicContact CG2-CD1 4.41Å; A177-L184 HydrophobicContact CB-CD1 4.1Å; A177-L184 HydrophobicContact CB-CD2 4.43Å; A177-L184 HydrophobicContact CB-CG 4.15Å; M182-L184 VanDerWaalsContact C-N 3.31Å; M182-L184 PolarHBondContact O-N 3.38Å
185P51.4Low60.5Low107 Ų107106.7 Ų106.770%0.69561%0.611SS**  trans-53.5130.1173.2-3.13.7000108.4G187P185-G187 PolarHBondContact O-N 2.83Å
186P43.5Very low57.7Low129 Ų129106.4 Ų106.484%0.83862%0.624SS**SBendtrans-65.3103.8177.326.3-31.1000107.5
187G50.3Low55Low74 Ų74113.6 Ų113.676%0.76366%0.657SS**  trans159.215.3177.900000119.3P185P185-G187 PolarHBondContact O-N 2.83Å
188R46.2Very low52.3Low254 Ų254121.1 Ų121.196%0.95870%0.697SS**  trans-138.147.2171-119.7-177.7-172.4-156.22.4113.7
189G41.5Very low49.6Very low73 Ų73118.2 Ų118.275%0.75370%0.702SS**  trans-96.9131.1156.300000109.1
190L46.1Very low47Very low158 Ų158117.6 Ų117.683%0.82772%0.716SS**  trans87.887.9169.5-155.670.8000117.5
191L39Very low44.7Very low186 Ų186122.3 Ų122.397%0.97475%0.749SS**  trans-142.790.6133.9-75.9-177.9000108.7
192S37.5Very low42.5Very low108 Ų108125.2 Ų125.276%0.75576%0.761SS**  trans-123.3130.7152-169.40000106.9
193Q38.5Very low40.2Very low197 Ų197127.1 Ų127.192%0.92178%0.784SS**  trans100.4108.3163.1-148.3160.736.800118.8
194G31.2Very low39Very low60 Ų60123 Ų12362%0.61978%0.779SS**  109.4110.7123.700000119.7
195T31.1Very low38Very low144 Ų144124 Ų12488%0.88379%0.794SS**  trans68.3123.6138.6570000122.5
196A33.2Very low37.1Very low86 Ų86123.7 Ų123.771%0.71179%0.794SS**  trans71.7112.5134.900000121.8
197E32Very low36.6Very low181 Ų181122.6 Ų122.685%0.84679%0.789SS**  78133.3128-58.1-174.6156.700122.4
198D32.2Very low35.8Very low161 Ų161127.9 Ų127.986%0.86179%0.794SS**  trans74.5126.7155.7-64.2-26000123.2
199G32.3Very low35Very low72 Ų72120.9 Ų120.974%0.74278%0.784SS**  122.992.5124.700000118.4
200A34.2Very low34.3Very low93 Ų93126.2 Ų126.277%0.76979%0.79SS**  trans71.7124.6136.300000122.3
201S38.2Very low33.7Very low108 Ų108124.9 Ų124.976%0.75579%0.788SS**  trans63.5109.5133.7-54.20000119.2
202S36.8Very low33.5Very low115 Ų115121.9 Ų121.980%0.80478%0.78SS**  90.1132.978.7-65.90000114.6
203A34.5Very low33Very low87 Ų87125.1 Ų125.172%0.71978%0.783SS**  trans94.3107140.800000120.8
204S33.9Very low33.4Very low105 Ų105120.6 Ų120.673%0.73477%0.771SS**  93122.1117.7-53.60000121.8
205S34.3Very low33.3Very low107 Ų107124.9 Ų124.975%0.74879%0.785SS**  trans50.5138.9130.764.50000119.5
206S33.3Very low33.1Very low99 Ų99126.4 Ų126.469%0.69278%0.782SS**  cis-175.1137.246-31.50000108.2
207S32.4Very low32.8Very low106 Ų106126.9 Ų126.974%0.74178%0.779SS**  37.8116.7108.7-52.50000117.4
208Q33.8Very low32.6Very low186 Ų186124.9 Ų124.987%0.86978%0.78SS**  -169124.9127.3-101.9159.7103.500112
209S28.6Very low32.4Very low106 Ų106122.4 Ų122.474%0.74178%0.775SS**  trans-79.5142.9165.9460000110.2
210E28.2Very low32.9Very low186 Ų186124.6 Ų124.687%0.86978%0.776SS**  trans-166.6118.1145.4-109.9170.6123.300111.1
211T31.6Very low32.5Very low130 Ų130125.2 Ų125.280%0.79878%0.775SS**  trans-98.6145.6157.94.10000106.9
212P36.8Very low32Very low123 Ų123127.1 Ų127.180%0.79978%0.776SS**  -149.315698.834.1-15000115.7
213E26.3Very low31.6Very low176 Ų176128.9 Ų128.982%0.82278%0.775SS**  trans-85.5-171.8158.4-61.9-157.8118.400110.5
214P45.7Very low31.2Very low102 Ų102131 Ų13166%0.66278%0.779SS**  cis-129.8175.8-24.517.56.9000111.8
215V30.6Very low30.9Very low150 Ų150131.8 Ų131.891%0.90978%0.78SS**  177.5153.7125.3-810000113.4
216E26.1Very low30.6Very low176 Ų176133.4 Ų133.482%0.82278%0.78SS**  trans-56153.9-165.7-94.2174.493.400122.2
217S27.9Very low30.4Very low95 Ų95135.9 Ų135.966%0.66479%0.786SS**  trans65.3118.8133.8-59.50000119.5
218T27.5Very low30.2Very low139 Ų139136.4 Ų136.485%0.85379%0.785SS**  169.6120.3111.6-56.30000109.4
219S27.4Very low30Very low109 Ų109134.9 Ų134.976%0.76278%0.782SS**  trans-105.9166156-71.80000107.2
220P42.8Very low30Very low118 Ų118138.1 Ų138.177%0.76679%0.785SS**  cis-142.9173.821.736.9-15.8000115.6
221S26.3Very low29.9Very low106 Ų106139.1 Ų139.174%0.74178%0.781SS**  176.9122.1129.7-78.40000114.2
222L27.9Very low29.8Very low149 Ų149138.7 Ų138.778%0.7878%0.781SS**  trans68.8105.6133.3-59.9171.9000122.5
223L26.9Very low29.5Very low151 Ų151138.4 Ų138.479%0.79178%0.777SS**  57.6116.3126.9-59.9175.1000120.4
224T27.3Very low29.7Very low131 Ų131134.3 Ų134.380%0.80477%0.766SS**  -162.8122.4117.64.90000112.9
225T27.6Very low29Very low123 Ų123132.5 Ų132.576%0.75576%0.755SS**  trans57.6114.314151.20000122
226D27.7Very low29.2Very low140 Ų140127.4 Ų127.475%0.74973%0.725SS**  63.5100.3125.5-133.2-91.6000117.8
227N29.6Very low30.3Very low152 Ų152122.3 Ų122.381%0.81371%0.706SS**  trans-157.1112.3137.8-91.9-45.5000108.7
228T28.7Very low31.2Very low116 Ų116123.5 Ų123.571%0.71270%0.704SS**  trans11.4111.7147.729.70000116.5E230T228-E230 PolarHBondContact O-N 3.39Å
229L29.4Very low32.6Very low154 Ų154117.6 Ų117.681%0.80667%0.671SS**  trans-6772.6169.4-171.673.6000110.6R231L229-R231 PolarHBondContact O-N 3.11Å; L229-R231 VanDerWaalsContact O-N 3.13Å
230E28.5Very low33.6Very low174 Ų174115.3 Ų115.381%0.81365%0.653SS**  trans-79.284.5156.9-73.9-76.5110.600106.4T228 P232T228-E230 PolarHBondContact O-N 3.39Å; E230-P232 WeakPolarHBondContact O-CD 3.33Å
231R26.1Very low33.9Very low207 Ų207115.8 Ų115.878%0.78164%0.639SS**  trans-58.9120.5165.5-135.2169.6-174.4-1131.6105.5L229 T233L229-R231 PolarHBondContact O-N 3.11Å; L229-R231 VanDerWaalsContact O-N 3.13Å; R231-T233 PolarHBondContact O-N 3.02Å
232P28.1Very low34.5Very low122 Ų122118.8 Ų118.879%0.79263%0.634SS**  trans-62.4106.2176.523.4-29.1000106.9E230E230-P232 WeakPolarHBondContact O-CD 3.33Å
233T31.3Very low34.9Very low116 Ų116119.1 Ų119.171%0.71263%0.625SS**  trans-55131.5168.320.20000106.7R231 C235R231-T233 PolarHBondContact O-N 3.02Å; T233-C235 PolarHBondContact O-N 3Å
234P30.6Very low34.9Very low91 Ų91116 Ų11659%0.59162%0.615SS**  trans-58.3118.1173.324.5-31000106.8C236P234-C236 PolarHBondContact O-N 3.21Å
235C30.9Very low35Very low64 Ų64120.3 Ų120.343%0.43262%0.617SS.*  trans-64.985.6176.6-72.80000107.7L180 T233L180-C235 WeakPolarHBondContact O-CB 3.49Å; T233-C235 PolarHBondContact O-N 3Å
236C34.1Very low35.1Very low43 Ų43117.9 Ų117.929%0.29162%0.616SS.*  trans-116.686.9-177.5-68.40000108.3F76 P234 L238F76-C236 HydrophobicContact CE2-CB 3.52Å; F76-C236 WeakPolarHBondContact CE2-SG 3.32Å; F76-C236 HydrophobicContact CZ-CB 3.52Å; P234-C236 PolarHBondContact O-N 3.21Å; C236-L238 PolarHBondContact O-N 3.36Å
237T49Very low35.3Very low69 Ų69114.8 Ų114.842%0.42360%0.604SS.*  trans-74106.4173.225.10000109L180 G239L180-T237 WeakPolarHBondContact CD2-OG1 3.36Å; T237-G239 VanDerWaalsContact C-N 3.35Å; T237-G239 PolarHBondContact O-N 2.96Å
238L47.5Very low35.5Very low119 Ų119119.4 Ų119.462%0.62361%0.61SS**  trans-69.397.5162.1-167.474.5000107.1W84 V132 C236W84-L238 HydrophobicContact CH2-CD1 4.16Å; W84-L238 HydrophobicContact CZ2-CD1 4.44Å; V132-L238 HydrophobicContact CG1-CD1 4.19Å; C236-L238 PolarHBondContact O-N 3.36Å
239G57.2Low35.5Very low15 Ų15124 Ų12416%0.15562%0.615CS.*EExtended strand (participates in β ladder)trans-90.2140.9-173.900000112.5T237T237-G239 VanDerWaalsContact C-N 3.35Å; T237-G239 PolarHBondContact O-N 2.96Å
240T47.4Very low35.7Very low61 Ų61121.7 Ų121.737%0.37462%0.617SS.*EExtended strand (participates in β ladder)trans-115.5118.4159.747.20000108.6R242T240-R242 PolarHBondContact O-N 3.36Å
241W49.8Very low35.9Very low128 Ų128118.5 Ų118.549%0.48561%0.61SS.*EExtended strand (participates in β ladder)trans-85.9106.1170.9-115.759.7000107.8F131 L152F131-W241 HydrophobicContact CD1-CB 4.31Å; F131-W241 HydrophobicContact CE1-CB 3.54Å; F131-W241 HydrophobicContact CE1-CE3 4.49Å; F131-W241 HydrophobicContact CE1-CG 4.34Å; F131-W241 HydrophobicContact CE2-CB 4.02Å; F131-W241 HydrophobicContact CZ-CB 3.37Å; F131-W241 HydrophobicContact CZ-CD2 4.26Å; F131-W241 HydrophobicContact CZ-CE3 4.41Å; F131-W241 AromaticContact CZ-CG 3.86Å; F131-W241 HydrophobicContact CZ-CG 3.86Å; L152-W241 HydrophobicContact CD2-CE3 4.47Å; L152-W241 HydrophobicContact CD2-CZ3 4.28Å
242R38.6Very low36.3Very low169 Ų169113 Ų11364%0.63860%0.604SS**EExtended strand (participates in β ladder)trans-90.8135.9175.9-72.6-172.8-168.2-92.12110.7T240 C244T240-R242 PolarHBondContact O-N 3.36Å; R242-C244 PolarHBondContact O-N 3.01Å
243R37.3Very low36.3Very low156 Ų156111 Ų11159%0.58959%0.592SS**PPolyproline II helixtrans-77116.9172.2-172.7172.2-176.4177.23.6109.7Y151 R245Y151-R243 HydrophobicContact CD1-CB 4.43Å; R243-R245 PolarHBondContact O-N 2.98Å
244C26.6Very low36.4Very low85 Ų85109.5 Ų109.557%0.57459%0.585SS**PPolyproline II helixtrans-64.8116.8161.6-108.30000108.6R242 G246R242-C244 PolarHBondContact O-N 3.01Å; C244-G246 PolarHBondContact O-N 3.01Å
245R29.6Very low36.5Very low223 Ų223116 Ų11684%0.84260%0.598SS**THydrogen-bonded Turntrans-64.996.7175.5-71.7-173.8-170.7-149.6-0.7109.2D129 R243D129-R245 IonicContact OD2-NE 3.89Å; D129-R245 IonicContact OD2-NH2 3.21Å; D129-R245 PolarHBondContact OD2-NH2 3.09Å; R243-R245 PolarHBondContact O-N 2.98Å
246G29.7Very low36.4Very low72 Ų72122 Ų12274%0.74261%0.612SS**THydrogen-bonded Turntrans158.3-24.2173.100000116.9C244 R248C244-G246 PolarHBondContact O-N 3.01Å; G246-R248 PolarHBondContact O-N 2.9Å
247C32Very low35.9Very low75 Ų75125.9 Ų125.951%0.50764%0.638SS.*  trans-85.4109.9-177.6-820000112.2
248R33.1Very low35Very low248 Ų248129.6 Ų129.694%0.93666%0.661SS**SBendtrans-89.74171.1-83.9-171.5-153.1-1284.2114.3G246G246-R248 PolarHBondContact O-N 2.9Å
249R28.3Very low34.1Very low214 Ų214131.1 Ų131.181%0.80871%0.705SS**SBendtrans-141.3134.8169.6-73.9-177.2-161.4-136.3-0.4109.8T251R249-T251 VanDerWaalsContact C-N 3.28Å; R249-T251 PolarHBondContact O-N 2.82Å
250A33.2Very low32.9Very low104 Ų104136.9 Ų136.986%0.8673%0.733SS**  trans-72.682.5174.500000109.6
251T32.8Very low32.2Very low108 Ų108140.9 Ų140.966%0.66375%0.752SS**SBendtrans-152.2111.3162.431.60000107.5R249R249-T251 VanDerWaalsContact C-N 3.28Å; R249-T251 PolarHBondContact O-N 2.82Å
252S34.8Very low31.2Very low92 Ų92141.6 Ų141.664%0.64377%0.766SS**  trans60.8104.7170.6-168.10000116.2S254S252-S254 PolarHBondContact OG-OG 3.19Å
253C29Very low30.8Very low80 Ų80140 Ų14054%0.54177%0.774SS.*  trans-121.258.8152.9-154.50000108.3R255C253-R255 PolarHBondContact O-N 3.1Å
254S33.5Very low30.4Very low83 Ų83139 Ų13958%0.5879%0.786SS**  trans-72.678.8171.2-38.20000108.9S252S252-S254 PolarHBondContact OG-OG 3.19Å
255R31.6Very low30.6Very low227 Ų227142.6 Ų142.686%0.85780%0.8SS**  trans-175.196.4160.3-107.8169.7-147.1-112.42108.9C253 C257C253-R255 PolarHBondContact O-N 3.1Å; R255-C257 PolarHBondContact O-N 3.33Å
256W29Very low30.7Very low192 Ų192136.9 Ų136.973%0.72780%0.797SS**  trans-71121.9163.5-81.381.3000108.9T258W256-T258 PolarHBondContact O-N 3.2Å
257C23.9Very low30.8Very low123 Ų123141.8 Ų141.883%0.83180%0.801SS**  trans-61.3112.3163.5-75.20000108.6R255R255-C257 PolarHBondContact O-N 3.33Å
258T30Very low30.7Very low147 Ų147147.4 Ų147.490%0.90283%0.825SS**  trans-59.4124.614634.10000108.6W256W256-T258 PolarHBondContact O-N 3.2Å
259G28.8Very low30.4Very low151 Ų151138.3 Ų138.3100%1.55782%0.815SS**  trans-1710172.300000109.3

Retrieved 259 of 259 residues in 65.2 ms (Link to these results)

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