A0A087YQH6_POEFO Loading...

SRY-box transcription factor 21b

AlphaFold DB , UniProt , Accession A0A087YQH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1M46.3Very low76.6Confident238 Ų238137.6 Ų137.6100%1.17269%0.692SS**  0105.60-65.585.5178.600109.6
2S53.5Low78.3Confident117 Ų117130.9 Ų130.982%0.81866%0.658SS**PPolyproline II helixtrans-62139.4167.637.40000109.2
3K62Low79.8Confident187 Ų187127.8 Ų127.881%0.81364%0.644SS**PPolyproline II helixtrans-64.5134.3172.8-72.7169.6-178.2154.90107.5M5K3-M5 PolarHBondContact O-N 3.03Å
4P61.4Low81.1Confident99 Ų99119.9 Ų119.964%0.64361%0.609SS**PPolyproline II helixtrans-57.4128.4172.723.5-31.1000108.4D6 H7P4-D6 PolarHBondContact O-N 3.25Å; P4-D6 VanDerWaalsContact O-N 3.14Å; P4-H7 PolarHBondContact O-N 3.48Å
5M67.5Low82.2Confident186 Ų186114.9 Ų114.992%0.91658%0.582SS**THydrogen-bonded Turntrans-62.3-18.3-175.2-73.3-74.3179.100112.5K3 H7K3-M5 PolarHBondContact O-N 3.03Å; M5-H7 PolarHBondContact O-N 3.47Å
6D83.8Confident83.2Confident148 Ų148113.1 Ų113.179%0.79157%0.572SS**THydrogen-bonded Turntrans-88.55.7-175.5-58.4-38.4000115P4 V8P4-D6 PolarHBondContact O-N 3.25Å; P4-D6 VanDerWaalsContact O-N 3.14Å; D6-V8 PolarHBondContact O-N 3.34Å
7H88.1Confident84Confident138 Ų138108.1 Ų108.164%0.63955%0.548SS*.  trans-74.2102.6175.5-177.954.9000111.7P4 M5 K9P4-H7 PolarHBondContact O-N 3.48Å; M5-H7 PolarHBondContact O-N 3.47Å; H7-K9 PolarHBondContact O-N 3.11Å
8V92.2Very high84.8Confident43 Ų43102.7 Ų102.726%0.26152%0.52SS..  trans-62.7115.2171.4-179.30000110.3D6 H68 H72 Y75D6-V8 PolarHBondContact O-N 3.34Å; V8-H68 WeakPolarHBondContact CG1-CE1 3.49Å; V8-H72 HydrophobicContact CG1-CB 4.45Å; V8-Y75 HydrophobicContact CB-CD2 3.98Å; V8-Y75 HydrophobicContact CB-CE2 4.28Å; V8-Y75 HydrophobicContact CG1-CD2 3.53Å; V8-Y75 HydrophobicContact CG1-CE2 3.91Å; V8-Y75 HydrophobicContact CG1-CG 4.45Å
9K94Very high85.4Confident169 Ų16997.3 Ų97.374%0.73549%0.492SS*.PPolyproline II helixtrans-75.4152.9177.3-69.4-179.7-177168.90110.7H7 H68H7-K9 PolarHBondContact O-N 3.11Å; K9-H68 PolarHBondContact O-CE1 2.9Å; K9-H68 PolarHBondContact O-NE2 3.12Å
10R96.4Very high86Confident147 Ų147100 Ų10056%0.55550%0.496SS*.PPolyproline II helixtrans-64.6146.6175-41.4-169.1-170.3-1719.2111.1Y75 Y77R10-Y75 WeakPolarHBondContact CG-OH 3.45Å; R10-Y77 VanDerWaalsContact CZ-OH 3.32Å; R10-Y77 PolarHBondContact NH1-OH 2.97Å; R10-Y77 PolarHBondContact NH2-OH 2.87Å
11P96.9Very high86.5Confident42 Ų4297.5 Ų97.527%0.27349%0.492SS..PPolyproline II helixtrans-64.5148.3169.428.1-32.5000109.9H68P11-H68 HydrophobicContact CB-CB 4.03Å; P11-H68 HydrophobicContact CG-CB 4.24Å
12M97.6Very high88.8Confident57 Ų5788.9 Ų88.928%0.28145%0.448SS..PPolyproline II helixtrans-70.8136.1178.6-68.6-174.7-66.100110.3M16 V17 L64M12-M16 HydrophobicContact CB-CB 3.96Å; M12-M16 HydrophobicContact CG-CB 4.24Å; M12-V17 HydrophobicContact CB-CG2 3.79Å; M12-V17 HydrophobicContact CE-CG2 4.42Å; M12-L64 HydrophobicContact CB-CD1 4.36Å; M12-L64 HydrophobicContact CE-CD1 4Å
13N98.1Very high90.9Very high90 Ų9086.2 Ų86.248%0.48142%0.42SS..PPolyproline II helixtrans-79.3172.3168.570.619.4000110.8F15 M16 V17N13-F15 VanDerWaalsContact C-N 3.35Å; N13-F15 PolarHBondContact O-N 3.49Å; N13-F15 PolarHBondContact OD1-N 3.24Å; N13-M16 PolarHBondContact O-N 3.09Å; N13-M16 WeakPolarHBondContact OD1-CB 2.92Å; N13-M16 WeakPolarHBondContact OD1-CG 3.35Å; N13-M16 PolarHBondContact OD1-N 3.46Å; N13-V17 WeakPolarHBondContact O-CG2 3.48Å; N13-V17 PolarHBondContact O-N 3.32Å
14A97.4Very high92.5Very high18 Ų1885.6 Ų85.615%0.14941%0.413CS..Hα-helixtrans-53.7-47.8-176.500000113.2M16 V17 W18 W46 I58 A61A14-M16 VanDerWaalsContact C-N 3.33Å; A14-M16 PolarHBondContact O-N 3.18Å; A14-V17 PolarHBondContact O-N 3.45Å; A14-W18 PolarHBondContact O-N 3.08Å; A14-W46 HydrophobicContact CB-CH2 4.17Å; A14-W46 HydrophobicContact CB-CZ2 4.11Å; A14-I58 HydrophobicContact CB-CB 4.48Å; A14-I58 HydrophobicContact CB-CG1 3.84Å; A14-A61 HydrophobicContact CB-CB 4.14Å; A14-A61 VanDerWaalsContact N-CB 3.3Å
15F97.7Very high94.2Very high45 Ų4586.6 Ų86.620%0.19741%0.407CS..Hα-helixtrans-61.6-39.4176.7171.8-101.8000112.5N13 W18 S19 W46N13-F15 VanDerWaalsContact C-N 3.35Å; N13-F15 PolarHBondContact O-N 3.49Å; N13-F15 PolarHBondContact OD1-N 3.24Å; F15-W18 AromaticContact CD2-CE3 3.97Å; F15-W18 HydrophobicContact CD2-CE3 3.97Å; F15-W18 HydrophobicContact CD2-CZ3 4.13Å; F15-W18 HydrophobicContact CE2-CE3 4.06Å; F15-W18 AromaticContact CE2-CZ3 3.81Å; F15-W18 HydrophobicContact CE2-CZ3 3.81Å; F15-S19 WeakPolarHBondContact O-CB 3.3Å; F15-S19 PolarHBondContact O-N 2.9Å; F15-S19 PolarHBondContact O-OG 2.97Å; F15-W46 HydrophobicContact CB-CD2 4.44Å; F15-W46 HydrophobicContact CD2-CB 3.75Å; F15-W46 AromaticContact CD2-CD1 3.88Å; F15-W46 AromaticContact CD2-CD2 3.91Å; F15-W46 HydrophobicContact CD2-CD2 3.91Å; F15-W46 HydrophobicContact CD2-CE3 4.49Å; F15-W46 AromaticContact CD2-CG 3.54Å; F15-W46 HydrophobicContact CD2-CG 3.54Å; F15-W46 HydrophobicContact CE2-CB 3.89Å; F15-W46 HydrophobicContact CE2-CG 4.19Å
16M97.9Very high95.5Very high86 Ų8678.6 Ų78.642%0.42437%0.368SS..Hα-helixtrans-70-34.3179.1-69.7-65173.300112M12 N13 A14 R20M12-M16 HydrophobicContact CB-CB 3.96Å; M12-M16 HydrophobicContact CG-CB 4.24Å; N13-M16 PolarHBondContact O-N 3.09Å; N13-M16 WeakPolarHBondContact OD1-CB 2.92Å; N13-M16 WeakPolarHBondContact OD1-CG 3.35Å; N13-M16 PolarHBondContact OD1-N 3.46Å; A14-M16 VanDerWaalsContact C-N 3.33Å; A14-M16 PolarHBondContact O-N 3.18Å; M16-R20 PolarHBondContact O-N 3.2Å
17V97.7Very high96Very high27 Ų2773.6 Ų73.616%0.16435%0.347CS..Hα-helixtrans-64-53172.7176.90000110M12 N13 A14 R20 F57 E60 A61 L64M12-V17 HydrophobicContact CB-CG2 3.79Å; M12-V17 HydrophobicContact CE-CG2 4.42Å; N13-V17 WeakPolarHBondContact O-CG2 3.48Å; N13-V17 PolarHBondContact O-N 3.32Å; A14-V17 PolarHBondContact O-N 3.45Å; V17-R20 PolarHBondContact O-N 2.99Å; V17-F57 HydrophobicContact CG1-CD1 4.2Å; V17-E60 HydrophobicContact CG1-CB 4.38Å; V17-E60 HydrophobicContact CG1-CG 3.86Å; V17-A61 HydrophobicContact CG2-CB 4.36Å; V17-L64 HydrophobicContact CG2-CD1 3.71Å
18W97.5Very high96.4Very high12 Ų1274.6 Ų74.65%0.04535%0.352CS..Hα-helixtrans-63.3-50.5179.9171.681.8000112.9A14 F15 R20 A21 Q22 L42 E45 W46 L49 F57A14-W18 PolarHBondContact O-N 3.08Å; F15-W18 AromaticContact CD2-CE3 3.97Å; F15-W18 HydrophobicContact CD2-CE3 3.97Å; F15-W18 HydrophobicContact CD2-CZ3 4.13Å; F15-W18 HydrophobicContact CE2-CE3 4.06Å; F15-W18 AromaticContact CE2-CZ3 3.81Å; F15-W18 HydrophobicContact CE2-CZ3 3.81Å; W18-R20 PolarHBondContact O-N 3.17Å; W18-R20 VanDerWaalsContact O-N 3.1Å; W18-A21 PolarHBondContact O-N 2.85Å; W18-Q22 HydrophobicContact CD2-CG 4.09Å; W18-Q22 HydrophobicContact CH2-CG 4.33Å; W18-Q22 HydrophobicContact CZ2-CB 4.5Å; W18-Q22 HydrophobicContact CZ2-CG 3.75Å; W18-Q22 PolarHBondContact O-N 3.43Å; W18-L42 HydrophobicContact CH2-CB 4.32Å; W18-L42 HydrophobicContact CH2-CD2 3.96Å; W18-L42 WeakPolarHBondContact CH2-O 3.46Å; W18-L42 HydrophobicContact CZ3-CB 4.02Å; W18-L42 HydrophobicContact CZ3-CD2 4.22Å; W18-L42 VanDerWaalsContact CZ3-O 3.26Å; W18-L42 WeakPolarHBondContact CZ3-O 3.36Å; W18-E45 HydrophobicContact CH2-CB 3.86Å; W18-E45 HydrophobicContact CZ2-CB 4.34Å; W18-W46 HydrophobicContact CB-CE3 4.11Å; W18-W46 HydrophobicContact CB-CH2 4.41Å; W18-W46 HydrophobicContact CB-CZ3 3.61Å; W18-W46 AromaticContact CD2-CE3 3.47Å; W18-W46 HydrophobicContact CD2-CE3 3.47Å; W18-W46 VanDerWaalsContact CD2-CE3 3.47Å; W18-W46 AromaticContact CD2-CZ3 3.84Å; W18-W46 HydrophobicContact CD2-CZ3 3.84Å; W18-W46 HydrophobicContact CE3-CB 4.22Å; W18-W46 HydrophobicContact CE3-CD2 4.21Å; W18-W46 AromaticContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CZ3 4.23Å; W18-W46 AromaticContact CG-CE3 3.75Å; W18-W46 HydrophobicContact CG-CE3 3.75Å; W18-W46 AromaticContact CG-CZ3 3.56Å; W18-W46 HydrophobicContact CG-CZ3 3.56Å; W18-W46 HydrophobicContact CH2-CB 4.14Å; W18-W46 HydrophobicContact CZ3-CB 3.74Å; W18-W46 HydrophobicContact CZ3-CE3 4.14Å; W18-L49 HydrophobicContact CZ2-CD1 4Å; W18-L49 HydrophobicContact CZ2-CD2 4.26Å; W18-F57 HydrophobicContact CB-CB 4.28Å; W18-F57 HydrophobicContact CB-CD1 3.82Å; W18-F57 HydrophobicContact CB-CD2 4.19Å; W18-F57 HydrophobicContact CB-CE1 4.22Å; W18-F57 HydrophobicContact CB-CG 3.81Å; W18-F57 AromaticContact CD1-CD2 3.86Å; W18-F57 AromaticContact CD1-CE1 3.99Å; W18-F57 AromaticContact CD1-CE2 3.51Å; W18-F57 AromaticContact CD1-CZ 3.59Å; W18-F57 HydrophobicContact CG-CD2 4.35Å; W18-F57 HydrophobicContact CG-CE2 4.38Å; W18-F57 HydrophobicContact CG-CG 4.43Å; W18-F57 HydrophobicContact CG-CZ 4.48Å
19S97.4Very high96.4Very high0 Ų078 Ų780%037%0.365CS..Hα-helixtrans-65.5-17.8-175.765.50000113.2F15 R23F15-S19 WeakPolarHBondContact O-CB 3.3Å; F15-S19 PolarHBondContact O-N 2.9Å; F15-S19 PolarHBondContact O-OG 2.97Å; S19-R23 WeakPolarHBondContact O-CB 3.45Å; S19-R23 PolarHBondContact O-N 3.27Å
20R96.7Very high96.2Very high151 Ų15173.2 Ų73.257%0.5735%0.347SS*.Hα-helixtrans-62.8-47.8176179.4179.8-97.1-173.8-5.8111.4M16 V17 W18 R24M16-R20 PolarHBondContact O-N 3.2Å; V17-R20 PolarHBondContact O-N 2.99Å; W18-R20 PolarHBondContact O-N 3.17Å; W18-R20 VanDerWaalsContact O-N 3.1Å; R20-R24 PolarHBondContact O-N 3.1Å
21A95.6Very high95.9Very high48 Ų4871.5 Ų71.540%0.39736%0.355SS..Hα-helixtrans-70-46178.600000111W18 R24 K25W18-A21 PolarHBondContact O-N 2.85Å; A21-R24 PolarHBondContact O-N 3.36Å; A21-K25 PolarHBondContact O-N 3.32Å; A21-K25 VanDerWaalsContact O-N 3.09Å
22Q96.6Very high95.7Very high57 Ų5779.5 Ų79.527%0.26639%0.386SS..Hα-helixtrans-66.8-40.9-177.3-59.6-55.2-26.800113W18 R24 K25 M26 L42W18-Q22 HydrophobicContact CD2-CG 4.09Å; W18-Q22 HydrophobicContact CH2-CG 4.33Å; W18-Q22 HydrophobicContact CZ2-CB 4.5Å; W18-Q22 HydrophobicContact CZ2-CG 3.75Å; W18-Q22 PolarHBondContact O-N 3.43Å; Q22-R24 VanDerWaalsContact C-N 3.27Å; Q22-R24 PolarHBondContact O-N 3.49Å; Q22-K25 PolarHBondContact O-N 2.97Å; Q22-M26 WeakPolarHBondContact O-CG 3.42Å; Q22-M26 PolarHBondContact O-N 3.39Å; Q22-L42 HydrophobicContact CB-CD1 4.48Å; Q22-L42 HydrophobicContact CB-CD2 3.41Å; Q22-L42 VanDerWaalsContact CB-CD2 3.41Å; Q22-L42 HydrophobicContact CG-CD2 4.43Å
23R96.8Very high95.5Very high61 Ų6178.7 Ų78.723%0.2338%0.382CS..Hα-helixtrans-58.6-40.1174.5-178-172.6-72.4111.42.6111.8S19 A27 N35 I38 L42S19-R23 WeakPolarHBondContact O-CB 3.45Å; S19-R23 PolarHBondContact O-N 3.27Å; R23-A27 VanDerWaalsContact O-CB 3.22Å; R23-A27 WeakPolarHBondContact O-CB 2.97Å; R23-A27 PolarHBondContact O-N 3.15Å; R23-N35 WeakPolarHBondContact CD-ND2 3.44Å; R23-I38 HydrophobicContact CB-CG2 4.34Å; R23-I38 HydrophobicContact CG-CG2 3.96Å; R23-L42 HydrophobicContact CB-CD1 3.7Å; R23-L42 HydrophobicContact CG-CD1 4.47Å
24R96.4Very high95.3Very high174 Ų17481 Ų8166%0.65739%0.389SS*.Hα-helixtrans-66-43.6177.6-178.2172.660-141.3-1.1111.1R20 A21 Q22 A27 Q28R20-R24 PolarHBondContact O-N 3.1Å; A21-R24 PolarHBondContact O-N 3.36Å; Q22-R24 VanDerWaalsContact C-N 3.27Å; Q22-R24 PolarHBondContact O-N 3.49Å; R24-A27 PolarHBondContact O-N 2.89Å; R24-Q28 PolarHBondContact O-N 3.46Å; R24-Q28 VanDerWaalsContact O-N 3.08Å
25K96.3Very high95.2Very high120 Ų12083.9 Ų83.952%0.52240%0.402SS..Hα-helixtrans-59-53.1175.3-177.4-180172.8-175.90111.4A21 Q22 A27 Q28 E29A21-K25 PolarHBondContact O-N 3.32Å; A21-K25 VanDerWaalsContact O-N 3.09Å; Q22-K25 PolarHBondContact O-N 2.97Å; K25-A27 VanDerWaalsContact C-N 3.33Å; K25-A27 PolarHBondContact O-N 3.28Å; K25-Q28 WeakPolarHBondContact O-CB 3.5Å; K25-Q28 PolarHBondContact O-N 3.1Å; K25-Q28 VanDerWaalsContact O-N 3.11Å; K25-E29 WeakPolarHBondContact CE-OE1 3.44Å; K25-E29 WeakPolarHBondContact CG-OE1 3.36Å; K25-E29 WeakPolarHBondContact O-CG 3.39Å; K25-E29 PolarHBondContact O-N 3.35Å
26M94.1Very high95.1Very high18 Ų1884.6 Ų84.69%0.08941%0.413CS..Hα-helixtrans-62.7-36.8179.8-67.5-170.883.200113.3Q22 Q28 E29 N30 I38 R41 L42Q22-M26 WeakPolarHBondContact O-CG 3.42Å; Q22-M26 PolarHBondContact O-N 3.39Å; M26-Q28 VanDerWaalsContact C-N 3.31Å; M26-E29 PolarHBondContact O-N 2.91Å; M26-N30 WeakPolarHBondContact O-CB 3.22Å; M26-N30 PolarHBondContact O-N 3.43Å; M26-I38 HydrophobicContact CB-CG2 3.98Å; M26-I38 HydrophobicContact SD-CG2 3.94Å; M26-R41 HydrophobicContact CE-CB 3.98Å; M26-L42 HydrophobicContact CG-CD2 4.49Å; M26-L42 HydrophobicContact SD-CD2 3.53Å; M26-L42 VanDerWaalsContact SD-CD2 3.53Å; M26-L42 HydrophobicContact SD-CG 3.83Å
27A95.1Very high95Very high42 Ų4283.6 Ų83.635%0.34741%0.407SS..Hα-helixtrans-67.9-32.6176.900000112.2R23 R24 K25 N30 P31 I38R23-A27 VanDerWaalsContact O-CB 3.22Å; R23-A27 WeakPolarHBondContact O-CB 2.97Å; R23-A27 PolarHBondContact O-N 3.15Å; R24-A27 PolarHBondContact O-N 2.89Å; K25-A27 VanDerWaalsContact C-N 3.33Å; K25-A27 PolarHBondContact O-N 3.28Å; A27-N30 CarbonylContact O-C 3.43Å; A27-P31 VanDerWaalsContact O-CA 3.3Å; A27-P31 WeakPolarHBondContact O-CA 3.28Å; A27-I38 HydrophobicContact CB-CD1 4.07Å
28Q95.4Very high94.9Very high159 Ų15982.5 Ų82.574%0.74340%0.4SS*.Hα-helixtrans-72.4-41.1175.5-171.16338.600111.6R24 K25 M26R24-Q28 PolarHBondContact O-N 3.46Å; R24-Q28 VanDerWaalsContact O-N 3.08Å; K25-Q28 WeakPolarHBondContact O-CB 3.5Å; K25-Q28 PolarHBondContact O-N 3.1Å; K25-Q28 VanDerWaalsContact O-N 3.11Å; M26-Q28 VanDerWaalsContact C-N 3.31Å
29E93.3Very high94.9Very high116 Ų11683.7 Ų83.754%0.54241%0.411SS..Hα-helixtrans-70.6-32.9177.5-68.7169.3-177.400112.1K25 M26K25-E29 WeakPolarHBondContact CE-OE1 3.44Å; K25-E29 WeakPolarHBondContact CG-OE1 3.36Å; K25-E29 WeakPolarHBondContact O-CG 3.39Å; K25-E29 PolarHBondContact O-N 3.35Å; M26-E29 PolarHBondContact O-N 2.91Å
30N89.2Confident94.9Very high67 Ų6790 Ų9036%0.35844%0.438SS..  trans-130.272.7-176.9-63.5-92.9000111.1M26 A27 K32 M33M26-N30 WeakPolarHBondContact O-CB 3.22Å; M26-N30 PolarHBondContact O-N 3.43Å; A27-N30 CarbonylContact O-C 3.43Å; N30-K32 PolarHBondContact O-N 3.42Å; N30-K32 VanDerWaalsContact O-N 3.12Å; N30-M33 HydrophobicContact CB-CB 3.78Å; N30-M33 HydrophobicContact CB-CE 3.88Å; N30-M33 WeakPolarHBondContact O-CB 3.27Å; N30-M33 PolarHBondContact O-N 2.84Å
31P90.7Very high94.9Very high111 Ų11188.2 Ų88.272%0.72143%0.431SS*.THydrogen-bonded Turntrans-65.9-18.9-174.625.3-34.6000114A27A27-P31 VanDerWaalsContact O-CA 3.3Å; A27-P31 WeakPolarHBondContact O-CA 3.28Å
32K92.8Very high94.9Very high211 Ų21185.9 Ų85.992%0.91741%0.412SS*.THydrogen-bonded Turntrans-86.2-11.6174.7-65.6-176.7179.81790113.4N30N30-K32 PolarHBondContact O-N 3.42Å; N30-K32 VanDerWaalsContact O-N 3.12Å
33M92.7Very high95Very high40 Ų4084.3 Ų84.320%0.19741%0.411CS..SBendtrans-78.1128.9-177.1-171.1-179.7-63.700110.8N30 E37 I38N30-M33 HydrophobicContact CB-CB 3.78Å; N30-M33 HydrophobicContact CB-CE 3.88Å; N30-M33 WeakPolarHBondContact O-CB 3.27Å; N30-M33 PolarHBondContact O-N 2.84Å; M33-E37 HydrophobicContact CG-CB 4.07Å; M33-E37 HydrophobicContact CG-CG 4.22Å; M33-E37 HydrophobicContact SD-CB 4.47Å; M33-E37 HydrophobicContact SD-CG 4.25Å; M33-I38 HydrophobicContact CB-CG1 4.35Å; M33-I38 HydrophobicContact CG-CG1 3.87Å; M33-I38 HydrophobicContact SD-CG1 3.64Å
34H95.1Very high95Very high139 Ų13984 Ų8464%0.64442%0.422SS*.  trans-72146.7178.9-166.254000111.9S36 E37 I38H34-S36 PolarHBondContact CD2-OG 2.8Å; H34-S36 PolarHBondContact O-N 3.19Å; H34-E37 WeakPolarHBondContact O-CB 3.23Å; H34-E37 PolarHBondContact O-N 3.47Å; H34-I38 PolarHBondContact O-N 3.3Å
35N93.8Very high95Very high77 Ų7779.3 Ų79.341%0.41241%0.407SS..Hα-helixtrans-60.9-30.1-174.7-169.6-89.2000113.9R23 E37 I38 S39R23-N35 WeakPolarHBondContact CD-ND2 3.44Å; N35-E37 VanDerWaalsContact C-N 3.25Å; N35-E37 PolarHBondContact O-N 2.81Å; N35-I38 PolarHBondContact O-N 3.48Å; N35-S39 WeakPolarHBondContact O-CB 3.42Å; N35-S39 PolarHBondContact O-N 2.92Å; N35-S39 PolarHBondContact O-OG 2.77Å; N35-S39 PolarHBondContact OD1-OG 2.8Å
36S95.9Very high95.1Very high61 Ų6175.6 Ų75.643%0.42739%0.39SS..Hα-helixtrans-60.1-40.3175.264.10000111.2H34 S39 K40H34-S36 PolarHBondContact CD2-OG 2.8Å; H34-S36 PolarHBondContact O-N 3.19Å; S36-S39 PolarHBondContact O-N 3.15Å; S36-K40 WeakPolarHBondContact O-CG 3.41Å; S36-K40 PolarHBondContact O-N 3.38Å; S36-K40 VanDerWaalsContact O-N 3.14Å
37E96.1Very high95.2Very high65 Ų6582.9 Ų82.930%0.30442%0.421SS..Hα-helixtrans-73.5-42.8179.9-168.855.7-152.700111.4M33 H34 N35 S39 K40 R41M33-E37 HydrophobicContact CG-CB 4.07Å; M33-E37 HydrophobicContact CG-CG 4.22Å; M33-E37 HydrophobicContact SD-CB 4.47Å; M33-E37 HydrophobicContact SD-CG 4.25Å; H34-E37 WeakPolarHBondContact O-CB 3.23Å; H34-E37 PolarHBondContact O-N 3.47Å; N35-E37 VanDerWaalsContact C-N 3.25Å; N35-E37 PolarHBondContact O-N 2.81Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.95Å; E37-K40 PolarHBondContact O-N 2.7Å; E37-K40 VanDerWaalsContact O-N 3.15Å; E37-K40 IonicContact OE2-NZ 2.84Å; E37-K40 PolarHBondContact OE2-NZ 2.93Å; E37-R41 PolarHBondContact O-N 2.93Å; E37-R41 VanDerWaalsContact O-N 3.1Å; E37-R41 IonicContact OE1-NE 3.73Å
38I95.9Very high95.3Very high3 Ų387.9 Ų87.92%0.01544%0.441CS..Hα-helixtrans-55.5-45.6172.1-61.2174.4000110.1R23 M26 A27 M33 H34 N35 K40 R41 L42R23-I38 HydrophobicContact CB-CG2 4.34Å; R23-I38 HydrophobicContact CG-CG2 3.96Å; M26-I38 HydrophobicContact CB-CG2 3.98Å; M26-I38 HydrophobicContact SD-CG2 3.94Å; A27-I38 HydrophobicContact CB-CD1 4.07Å; M33-I38 HydrophobicContact CB-CG1 4.35Å; M33-I38 HydrophobicContact CG-CG1 3.87Å; M33-I38 HydrophobicContact SD-CG1 3.64Å; H34-I38 PolarHBondContact O-N 3.3Å; N35-I38 PolarHBondContact O-N 3.48Å; I38-K40 VanDerWaalsContact C-N 3.33Å; I38-K40 PolarHBondContact O-N 3.01Å; I38-R41 PolarHBondContact O-N 3.07Å; I38-L42 HydrophobicContact CG2-CD1 3.82Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.02Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 3.01Å
39S96.6Very high95.4Very high38 Ų3882 Ų8227%0.26641%0.414SS..Hα-helixtrans-65.8-33.3-179-61.80000113N35 S36 E37 G43N35-S39 WeakPolarHBondContact O-CB 3.42Å; N35-S39 PolarHBondContact O-N 2.92Å; N35-S39 PolarHBondContact O-OG 2.77Å; N35-S39 PolarHBondContact OD1-OG 2.8Å; S36-S39 PolarHBondContact O-N 3.15Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.95Å; S39-G43 PolarHBondContact O-N 3.14Å; S39-G43 VanDerWaalsContact O-N 3.11Å
40K97.3Very high95.6Very high132 Ų13279.8 Ų79.857%0.57441%0.409SS*.Hα-helixtrans-64.8-47.9172.9-70.3179.6-151155.80111.5S36 E37 I38 G43 A44S36-K40 WeakPolarHBondContact O-CG 3.41Å; S36-K40 PolarHBondContact O-N 3.38Å; S36-K40 VanDerWaalsContact O-N 3.14Å; E37-K40 PolarHBondContact O-N 2.7Å; E37-K40 VanDerWaalsContact O-N 3.15Å; E37-K40 IonicContact OE2-NZ 2.84Å; E37-K40 PolarHBondContact OE2-NZ 2.93Å; I38-K40 VanDerWaalsContact C-N 3.33Å; I38-K40 PolarHBondContact O-N 3.01Å; K40-G43 PolarHBondContact O-N 3.29Å; K40-A44 PolarHBondContact O-N 3.21Å; K40-A44 VanDerWaalsContact O-N 3.14Å
41R96.6Very high95.9Very high113 Ų11381.8 Ų81.843%0.42642%0.416SS..Hα-helixtrans-62.5-46.8-179.6-66.1-177-174-160.72.8111.9M26 E37 I38 G43 A44 E45M26-R41 HydrophobicContact CE-CB 3.98Å; E37-R41 PolarHBondContact O-N 2.93Å; E37-R41 VanDerWaalsContact O-N 3.1Å; E37-R41 IonicContact OE1-NE 3.73Å; I38-R41 PolarHBondContact O-N 3.07Å; R41-G43 VanDerWaalsContact C-N 3.26Å; R41-G43 PolarHBondContact O-N 3.49Å; R41-A44 WeakPolarHBondContact O-CB 3.49Å; R41-A44 PolarHBondContact O-N 3.11Å; R41-E45 PolarHBondContact O-N 3.24Å
42L97.2Very high96.2Very high0 Ų080.5 Ų80.50%041%0.41CS..Hα-helixtrans-59.6-36.5175.1-68.2178.4000112.6W18 Q22 R23 M26 I38 A44 W46W18-L42 HydrophobicContact CH2-CB 4.32Å; W18-L42 HydrophobicContact CH2-CD2 3.96Å; W18-L42 WeakPolarHBondContact CH2-O 3.46Å; W18-L42 HydrophobicContact CZ3-CB 4.02Å; W18-L42 HydrophobicContact CZ3-CD2 4.22Å; W18-L42 VanDerWaalsContact CZ3-O 3.26Å; W18-L42 WeakPolarHBondContact CZ3-O 3.36Å; Q22-L42 HydrophobicContact CB-CD1 4.48Å; Q22-L42 HydrophobicContact CB-CD2 3.41Å; Q22-L42 VanDerWaalsContact CB-CD2 3.41Å; Q22-L42 HydrophobicContact CG-CD2 4.43Å; R23-L42 HydrophobicContact CB-CD1 3.7Å; R23-L42 HydrophobicContact CG-CD1 4.47Å; M26-L42 HydrophobicContact CG-CD2 4.49Å; M26-L42 HydrophobicContact SD-CD2 3.53Å; M26-L42 VanDerWaalsContact SD-CD2 3.53Å; M26-L42 HydrophobicContact SD-CG 3.83Å; I38-L42 HydrophobicContact CG2-CD1 3.82Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.02Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 3.01Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 3.14Å; L42-W46 WeakPolarHBondContact O-CB 3.13Å; L42-W46 PolarHBondContact O-N 2.86Å
43G97.5Very high96.3Very high24 Ų2475.1 Ų75.125%0.24739%0.388CS..Hα-helixtrans-64.9-34.217500000113.1S39 K40 R41 K47S39-G43 PolarHBondContact O-N 3.14Å; S39-G43 VanDerWaalsContact O-N 3.11Å; K40-G43 PolarHBondContact O-N 3.29Å; R41-G43 VanDerWaalsContact C-N 3.26Å; R41-G43 PolarHBondContact O-N 3.49Å; G43-K47 WeakPolarHBondContact O-CG 3.32Å
44A97.4Very high96.6Very high54 Ų5474.5 Ų74.545%0.44638%0.384SS..Hα-helixtrans-72.6-48.8174.600000111.3K40 R41 L42 W46 K47 L48K40-A44 PolarHBondContact O-N 3.21Å; K40-A44 VanDerWaalsContact O-N 3.14Å; R41-A44 WeakPolarHBondContact O-CB 3.49Å; R41-A44 PolarHBondContact O-N 3.11Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 3.14Å; A44-W46 VanDerWaalsContact C-N 3.34Å; A44-W46 PolarHBondContact O-N 3.25Å; A44-K47 WeakPolarHBondContact O-CB 3.45Å; A44-K47 PolarHBondContact O-N 3.46Å; A44-L48 PolarHBondContact O-N 2.81Å
45E96.9Very high96.7Very high75 Ų7575.5 Ų75.535%0.3538%0.382SS..Hα-helixtrans-56.5-46.3176.6-74174.3-164.600111.6W18 R41 K47 L48 L49W18-E45 HydrophobicContact CH2-CB 3.86Å; W18-E45 HydrophobicContact CZ2-CB 4.34Å; R41-E45 PolarHBondContact O-N 3.24Å; E45-K47 PolarHBondContact O-N 3.4Å; E45-K47 VanDerWaalsContact O-N 3.15Å; E45-L48 WeakPolarHBondContact O-CA 3.26Å; E45-L48 WeakPolarHBondContact O-CB 3.41Å; E45-L48 PolarHBondContact O-N 3.14Å; E45-L49 WeakPolarHBondContact O-CD1 3.45Å; E45-L49 PolarHBondContact O-N 3.27Å
46W97.5Very high96.9Very high42 Ų4275.5 Ų75.516%0.15939%0.386CS..Hα-helixtrans-56.3-34.4177.2-179.8-105.3000113.3A14 F15 W18 L42 A44 L48 L49 K54 F57A14-W46 HydrophobicContact CB-CH2 4.17Å; A14-W46 HydrophobicContact CB-CZ2 4.11Å; F15-W46 HydrophobicContact CB-CD2 4.44Å; F15-W46 HydrophobicContact CD2-CB 3.75Å; F15-W46 AromaticContact CD2-CD1 3.88Å; F15-W46 AromaticContact CD2-CD2 3.91Å; F15-W46 HydrophobicContact CD2-CD2 3.91Å; F15-W46 HydrophobicContact CD2-CE3 4.49Å; F15-W46 AromaticContact CD2-CG 3.54Å; F15-W46 HydrophobicContact CD2-CG 3.54Å; F15-W46 HydrophobicContact CE2-CB 3.89Å; F15-W46 HydrophobicContact CE2-CG 4.19Å; W18-W46 HydrophobicContact CB-CE3 4.11Å; W18-W46 HydrophobicContact CB-CH2 4.41Å; W18-W46 HydrophobicContact CB-CZ3 3.61Å; W18-W46 AromaticContact CD2-CE3 3.47Å; W18-W46 HydrophobicContact CD2-CE3 3.47Å; W18-W46 VanDerWaalsContact CD2-CE3 3.47Å; W18-W46 AromaticContact CD2-CZ3 3.84Å; W18-W46 HydrophobicContact CD2-CZ3 3.84Å; W18-W46 HydrophobicContact CE3-CB 4.22Å; W18-W46 HydrophobicContact CE3-CD2 4.21Å; W18-W46 AromaticContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CE3 3.51Å; W18-W46 HydrophobicContact CE3-CZ3 4.23Å; W18-W46 AromaticContact CG-CE3 3.75Å; W18-W46 HydrophobicContact CG-CE3 3.75Å; W18-W46 AromaticContact CG-CZ3 3.56Å; W18-W46 HydrophobicContact CG-CZ3 3.56Å; W18-W46 HydrophobicContact CH2-CB 4.14Å; W18-W46 HydrophobicContact CZ3-CB 3.74Å; W18-W46 HydrophobicContact CZ3-CE3 4.14Å; L42-W46 WeakPolarHBondContact O-CB 3.13Å; L42-W46 PolarHBondContact O-N 2.86Å; A44-W46 VanDerWaalsContact C-N 3.34Å; A44-W46 PolarHBondContact O-N 3.25Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L49 HydrophobicContact CE3-CD2 4.22Å; W46-L49 HydrophobicContact CZ3-CD2 4.35Å; W46-K54 HydrophobicContact CE3-CG 4.44Å; W46-K54 HydrophobicContact CH2-CB 4Å; W46-K54 HydrophobicContact CH2-CD 4.44Å; W46-K54 HydrophobicContact CH2-CG 3.66Å; W46-K54 HydrophobicContact CZ2-CB 4.36Å; W46-K54 HydrophobicContact CZ2-CD 4.16Å; W46-K54 HydrophobicContact CZ2-CG 3.88Å; W46-K54 HydrophobicContact CZ3-CG 3.96Å; W46-K54 WeakPolarHBondContact O-CE 3.44Å; W46-K54 PolarHBondContact O-NZ 3.07Å; W46-F57 HydrophobicContact CH2-CB 4.22Å; W46-F57 HydrophobicContact CZ3-CD2 4.29Å
47K96.9Very high97Very high171 Ų17175.5 Ų75.574%0.74338%0.379SS*.Hα-helixtrans-70.4-33.6176.9-70.7175.8-179.3-176.50111.7G43 A44 E45G43-K47 WeakPolarHBondContact O-CG 3.32Å; A44-K47 WeakPolarHBondContact O-CB 3.45Å; A44-K47 PolarHBondContact O-N 3.46Å; E45-K47 PolarHBondContact O-N 3.4Å; E45-K47 VanDerWaalsContact O-N 3.15Å
48L97Very high97Very high147 Ų14774.4 Ų74.477%0.7738%0.375SS*.Hα-helixtrans-76.9-26.7179.6-63.3173.2000113.2A44 E45 W46 T50A44-L48 PolarHBondContact O-N 2.81Å; E45-L48 WeakPolarHBondContact O-CA 3.26Å; E45-L48 WeakPolarHBondContact O-CB 3.41Å; E45-L48 PolarHBondContact O-N 3.14Å; W46-L48 VanDerWaalsContact C-N 3.33Å; L48-T50 PolarHBondContact O-N 3.43Å
49L96.1Very high97.1Very high35 Ų3578.2 Ų78.218%0.18340%0.395CS..SBendtrans-56.6138.5175.4-92.274.1000111.2W18 E45 W46 E53 K54W18-L49 HydrophobicContact CZ2-CD1 4Å; W18-L49 HydrophobicContact CZ2-CD2 4.26Å; E45-L49 WeakPolarHBondContact O-CD1 3.45Å; E45-L49 PolarHBondContact O-N 3.27Å; W46-L49 HydrophobicContact CE3-CD2 4.22Å; W46-L49 HydrophobicContact CZ3-CD2 4.35Å; L49-E53 HydrophobicContact CD2-CB 4.2Å; L49-E53 HydrophobicContact CG-CB 4.37Å; L49-K54 HydrophobicContact CB-CG 4.13Å; L49-K54 WeakPolarHBondContact O-CE 3.4Å; L49-K54 PolarHBondContact O-NZ 3Å
50T97.8Very high97.2Very high70 Ų7079.5 Ų79.543%0.42940%0.397SS..  trans-70.8159174.665.80000110.9L48 S52 E53 K54L48-T50 PolarHBondContact O-N 3.43Å; T50-S52 PolarHBondContact O-N 2.86Å; T50-S52 PolarHBondContact OG1-OG 2.89Å; T50-E53 WeakPolarHBondContact CB-OE2 3.44Å; T50-E53 PolarHBondContact N-OE2 3.08Å; T50-E53 PolarHBondContact O-N 3.2Å; T50-E53 WeakPolarHBondContact OG1-CG 3.38Å; T50-E53 PolarHBondContact OG1-N 3.22Å; T50-E53 PolarHBondContact OG1-OE2 3.46Å; T50-K54 WeakPolarHBondContact O-CG 3.41Å; T50-K54 PolarHBondContact O-N 2.9Å; T50-K54 VanDerWaalsContact O-N 3.07Å
51E95.8Very high97.2Very high110 Ų11073.8 Ų73.851%0.51437%0.374SS..Hα-helixtrans-60.3-32.8176.7-168.558.9-151.900111.6E53 K54 R55 I58E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3Å; E51-K54 PolarHBondContact O-N 2.92Å; E51-R55 WeakPolarHBondContact O-CG 3.49Å; E51-R55 PolarHBondContact O-N 3.43Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.34Å
52S97Very high97.3Very high83 Ų8374.2 Ų74.258%0.5838%0.379SS*.Hα-helixtrans-61.3-40.8177.172.80000112.6T50 P56T50-S52 PolarHBondContact O-N 2.86Å; T50-S52 PolarHBondContact OG1-OG 2.89Å; S52-P56 WeakPolarHBondContact O-CD 3.48Å
53E96.1Very high97.3Very high98 Ų9880 Ų8046%0.45840%0.401SS..Hα-helixtrans-75.2-28.2176.9-64.6165.2120.700111.7L49 T50 E51 P56 F57L49-E53 HydrophobicContact CD2-CB 4.2Å; L49-E53 HydrophobicContact CG-CB 4.37Å; T50-E53 WeakPolarHBondContact CB-OE2 3.44Å; T50-E53 PolarHBondContact N-OE2 3.08Å; T50-E53 PolarHBondContact O-N 3.2Å; T50-E53 WeakPolarHBondContact OG1-CG 3.38Å; T50-E53 PolarHBondContact OG1-N 3.22Å; T50-E53 PolarHBondContact OG1-OE2 3.46Å; E51-E53 VanDerWaalsContact C-N 3.34Å; E51-E53 PolarHBondContact O-N 3Å; E53-P56 WeakPolarHBondContact O-CD 3.37Å; E53-P56 WeakPolarHBondContact O-CG 3.34Å; E53-F57 VanDerWaalsContact O-CD2 3.23Å; E53-F57 WeakPolarHBondContact O-CD2 3.2Å; E53-F57 VanDerWaalsContact O-CE2 3.27Å; E53-F57 WeakPolarHBondContact O-CE2 3.39Å
54K97.3Very high97.3Very high28 Ų2880.8 Ų80.812%0.12240%0.399CS..Hα-helixtrans-75.7-32.2176.9-70.1169171153.10112.8W46 L49 T50 E51 F57 I58W46-K54 HydrophobicContact CE3-CG 4.44Å; W46-K54 HydrophobicContact CH2-CB 4Å; W46-K54 HydrophobicContact CH2-CD 4.44Å; W46-K54 HydrophobicContact CH2-CG 3.66Å; W46-K54 HydrophobicContact CZ2-CB 4.36Å; W46-K54 HydrophobicContact CZ2-CD 4.16Å; W46-K54 HydrophobicContact CZ2-CG 3.88Å; W46-K54 HydrophobicContact CZ3-CG 3.96Å; W46-K54 WeakPolarHBondContact O-CE 3.44Å; W46-K54 PolarHBondContact O-NZ 3.07Å; L49-K54 HydrophobicContact CB-CG 4.13Å; L49-K54 WeakPolarHBondContact O-CE 3.4Å; L49-K54 PolarHBondContact O-NZ 3Å; T50-K54 WeakPolarHBondContact O-CG 3.41Å; T50-K54 PolarHBondContact O-N 2.9Å; T50-K54 VanDerWaalsContact O-N 3.07Å; E51-K54 PolarHBondContact O-N 2.92Å; K54-F57 PolarHBondContact O-N 2.73Å; K54-I58 HydrophobicContact CB-CD1 3.86Å; K54-I58 HydrophobicContact CB-CG1 4.43Å; K54-I58 WeakPolarHBondContact O-CG1 3.49Å; K54-I58 PolarHBondContact O-N 3.18Å
55R97.5Very high97.3Very high160 Ų16086.3 Ų86.360%0.60441%0.408SS*.Hα-helixtrans-45-53.7-178-86.4-176-176.5176.21.4114.7E51 F57 I58 D59E51-R55 WeakPolarHBondContact O-CG 3.49Å; E51-R55 PolarHBondContact O-N 3.43Å; R55-F57 PolarHBondContact O-N 2.87Å; R55-I58 WeakPolarHBondContact O-CB 3.31Å; R55-I58 PolarHBondContact O-N 3.17Å; R55-I58 VanDerWaalsContact O-N 3.08Å; R55-D59 PolarHBondContact O-N 3.41Å
56P97.8Very high97.3Very high76 Ų7685.7 Ų85.749%0.49442%0.416SS..Hα-helixtrans-58.5-36.1-179.621.8-34.2000112.7S52 E53 E60S52-P56 WeakPolarHBondContact O-CD 3.48Å; E53-P56 WeakPolarHBondContact O-CD 3.37Å; E53-P56 WeakPolarHBondContact O-CG 3.34Å; P56-E60 VanDerWaalsContact O-CB 3.31Å; P56-E60 WeakPolarHBondContact O-CB 3.4Å; P56-E60 PolarHBondContact O-N 3.28Å
57F97.8Very high97.3Very high62 Ų6287.1 Ų87.127%0.27243%0.426SS..Hα-helixtrans-77.4-30.7178.4-53.9-71.1000112.9V17 W18 W46 E53 K54 R55 A61V17-F57 HydrophobicContact CG1-CD1 4.2Å; W18-F57 HydrophobicContact CB-CB 4.28Å; W18-F57 HydrophobicContact CB-CD1 3.82Å; W18-F57 HydrophobicContact CB-CD2 4.19Å; W18-F57 HydrophobicContact CB-CE1 4.22Å; W18-F57 HydrophobicContact CB-CG 3.81Å; W18-F57 AromaticContact CD1-CD2 3.86Å; W18-F57 AromaticContact CD1-CE1 3.99Å; W18-F57 AromaticContact CD1-CE2 3.51Å; W18-F57 AromaticContact CD1-CZ 3.59Å; W18-F57 HydrophobicContact CG-CD2 4.35Å; W18-F57 HydrophobicContact CG-CE2 4.38Å; W18-F57 HydrophobicContact CG-CG 4.43Å; W18-F57 HydrophobicContact CG-CZ 4.48Å; W46-F57 HydrophobicContact CH2-CB 4.22Å; W46-F57 HydrophobicContact CZ3-CD2 4.29Å; E53-F57 VanDerWaalsContact O-CD2 3.23Å; E53-F57 WeakPolarHBondContact O-CD2 3.2Å; E53-F57 VanDerWaalsContact O-CE2 3.27Å; E53-F57 WeakPolarHBondContact O-CE2 3.39Å; K54-F57 PolarHBondContact O-N 2.73Å; R55-F57 PolarHBondContact O-N 2.87Å; F57-A61 VanDerWaalsContact O-CB 3.3Å; F57-A61 WeakPolarHBondContact O-CB 3.38Å; F57-A61 PolarHBondContact O-N 3.4Å
58I97.4Very high97.3Very high42 Ų4279.8 Ų79.822%0.21539%0.394CS..Hα-helixtrans-66.3-47173-69.6167.7000109.9A14 E51 K54 R55 A61 K62A14-I58 HydrophobicContact CB-CB 4.48Å; A14-I58 HydrophobicContact CB-CG1 3.84Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.34Å; K54-I58 HydrophobicContact CB-CD1 3.86Å; K54-I58 HydrophobicContact CB-CG1 4.43Å; K54-I58 WeakPolarHBondContact O-CG1 3.49Å; K54-I58 PolarHBondContact O-N 3.18Å; R55-I58 WeakPolarHBondContact O-CB 3.31Å; R55-I58 PolarHBondContact O-N 3.17Å; R55-I58 VanDerWaalsContact O-N 3.08Å; I58-A61 PolarHBondContact O-N 3.01Å; I58-K62 WeakPolarHBondContact O-CG 3.38Å; I58-K62 PolarHBondContact O-N 3.22Å
59D98Very high97.3Very high83 Ų8376.7 Ų76.744%0.44438%0.377SS..Hα-helixtrans-69-38.3-179.3-66.2-25.5000111.5R55 A61 K62 R63R55-D59 PolarHBondContact O-N 3.41Å; D59-A61 PolarHBondContact O-N 2.9Å; D59-K62 WeakPolarHBondContact O-CB 3.49Å; D59-K62 PolarHBondContact O-N 3.25Å; D59-K62 IonicContact OD1-NZ 3.4Å; D59-K62 PolarHBondContact OD1-NZ 3.29Å; D59-R63 WeakPolarHBondContact O-CB 3.48Å; D59-R63 PolarHBondContact O-N 3.47Å
60E97.8Very high97.3Very high64 Ų6483.2 Ų83.230%0.29940%0.403SS..Hα-helixtrans-63.3-40.3172-179.356.9-163.500112.2V17 P56 K62 R63 L64V17-E60 HydrophobicContact CG1-CB 4.38Å; V17-E60 HydrophobicContact CG1-CG 3.86Å; P56-E60 VanDerWaalsContact O-CB 3.31Å; P56-E60 WeakPolarHBondContact O-CB 3.4Å; P56-E60 PolarHBondContact O-N 3.28Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 3Å; E60-R63 WeakPolarHBondContact O-CB 3.23Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 IonicContact OE1-CZ 2.8Å; E60-R63 IonicContact OE1-NE 3.75Å; E60-R63 PolarHBondContact OE1-NE 3.34Å; E60-R63 IonicContact OE1-NH2 3.7Å; E60-R63 PolarHBondContact OE1-NH2 2.99Å; E60-R63 IonicContact OE2-CZ 3.27Å; E60-R63 IonicContact OE2-NE 2.7Å; E60-R63 PolarHBondContact OE2-NE 2.94Å; E60-R63 IonicContact OE2-NH2 2.87Å; E60-L64 HydrophobicContact CG-CD1 4.38Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3.48Å
61A97.9Very high97.1Very high12 Ų1285.6 Ų85.610%0.09941%0.41CS..Hα-helixtrans-65.2-37.1174.700000112.5A14 V17 F57 I58 D59 R65A14-A61 HydrophobicContact CB-CB 4.14Å; A14-A61 VanDerWaalsContact N-CB 3.3Å; V17-A61 HydrophobicContact CG2-CB 4.36Å; F57-A61 VanDerWaalsContact O-CB 3.3Å; F57-A61 WeakPolarHBondContact O-CB 3.38Å; F57-A61 PolarHBondContact O-N 3.4Å; I58-A61 PolarHBondContact O-N 3.01Å; D59-A61 PolarHBondContact O-N 2.9Å; A61-R65 WeakPolarHBondContact O-CB 2.81Å; A61-R65 PolarHBondContact O-N 3.27Å
62K98.2Very high97Very high123 Ų12383.5 Ų83.554%0.53540%0.4SS..Hα-helixtrans-62.9-44.9172-70.1172.6-166.9155.50110.8I58 D59 E60 R65 A66I58-K62 WeakPolarHBondContact O-CG 3.38Å; I58-K62 PolarHBondContact O-N 3.22Å; D59-K62 WeakPolarHBondContact O-CB 3.49Å; D59-K62 PolarHBondContact O-N 3.25Å; D59-K62 IonicContact OD1-NZ 3.4Å; D59-K62 PolarHBondContact OD1-NZ 3.29Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-K62 PolarHBondContact O-N 3Å; K62-R65 WeakPolarHBondContact O-CB 3.4Å; K62-R65 PolarHBondContact O-N 2.91Å; K62-A66 PolarHBondContact O-N 3.04Å
63R98.2Very high96.9Very high122 Ų12284.5 Ų84.546%0.4640%0.404SS..Hα-helixtrans-58.9-48.8177-168.1-164.270.178.40.7111.2D59 E60 R65 A66 M67D59-R63 WeakPolarHBondContact O-CB 3.48Å; D59-R63 PolarHBondContact O-N 3.47Å; E60-R63 WeakPolarHBondContact O-CB 3.23Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 IonicContact OE1-CZ 2.8Å; E60-R63 IonicContact OE1-NE 3.75Å; E60-R63 PolarHBondContact OE1-NE 3.34Å; E60-R63 IonicContact OE1-NH2 3.7Å; E60-R63 PolarHBondContact OE1-NH2 2.99Å; E60-R63 IonicContact OE2-CZ 3.27Å; E60-R63 IonicContact OE2-NE 2.7Å; E60-R63 PolarHBondContact OE2-NE 2.94Å; E60-R63 IonicContact OE2-NH2 2.87Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.01Å; R63-A66 PolarHBondContact O-N 3.3Å; R63-M67 WeakPolarHBondContact O-CG 3.26Å; R63-M67 PolarHBondContact O-N 2.81Å
64L97.8Very high96.7Very high40 Ų4087.2 Ų87.221%0.20942%0.422CS..Hα-helixtrans-61-39.5176.7-72.3173.4000112.2M12 V17 E60 H68M12-L64 HydrophobicContact CB-CD1 4.36Å; M12-L64 HydrophobicContact CE-CD1 4Å; V17-L64 HydrophobicContact CG2-CD1 3.71Å; E60-L64 HydrophobicContact CG-CD1 4.38Å; E60-L64 WeakPolarHBondContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3.48Å; L64-H68 VanDerWaalsContact O-CB 3.23Å; L64-H68 WeakPolarHBondContact O-CB 3.14Å; L64-H68 PolarHBondContact O-N 3.2Å
65R96.8Very high96.6Very high169 Ų16988.7 Ų88.764%0.63843%0.427SS*.Hα-helixtrans-63.8-45.7175-176179.8-179.4-178.5-1111.4A61 K62 R63 H68 M69A61-R65 WeakPolarHBondContact O-CB 2.81Å; A61-R65 PolarHBondContact O-N 3.27Å; K62-R65 WeakPolarHBondContact O-CB 3.4Å; K62-R65 PolarHBondContact O-N 2.91Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.01Å; R65-H68 PolarHBondContact O-N 3.04Å; R65-M69 WeakPolarHBondContact O-CG 3.44Å; R65-M69 PolarHBondContact O-N 3.22Å
66A97.1Very high96.4Very high62 Ų6288.1 Ų88.151%0.51243%0.429SS..Hα-helixtrans-62.9-46.5178.900000111.7K62 R63 H68 M69 K70K62-A66 PolarHBondContact O-N 3.04Å; R63-A66 PolarHBondContact O-N 3.3Å; A66-H68 VanDerWaalsContact C-N 3.3Å; A66-H68 PolarHBondContact O-N 2.87Å; A66-M69 PolarHBondContact O-N 3.21Å; A66-K70 PolarHBondContact O-N 3.4Å
67M97Very high96.3Very high72 Ų7290 Ų9036%0.35543%0.427SS..Hα-helixtrans-57-45173.9-73.4-61.5-61.100111.4R63 M69 K70 E71R63-M67 WeakPolarHBondContact O-CG 3.26Å; R63-M67 PolarHBondContact O-N 2.81Å; M67-M69 VanDerWaalsContact C-N 3.34Å; M67-M69 PolarHBondContact O-N 2.96Å; M67-K70 WeakPolarHBondContact O-CB 3.41Å; M67-K70 PolarHBondContact O-N 2.93Å; M67-K70 VanDerWaalsContact O-N 3.12Å; M67-E71 WeakPolarHBondContact CE-OE1 3.09Å; M67-E71 WeakPolarHBondContact O-CB 3.42Å; M67-E71 WeakPolarHBondContact O-CG 3.33Å; M67-E71 PolarHBondContact O-N 2.87Å
68H97.2Very high96Very high17 Ų1796.7 Ų96.78%0.07945%0.451CS..Hα-helixtrans-62.7-38.2178.7-169.376.8000113.3V8 K9 P11 L64 R65 A66 K70 H72 Y75V8-H68 WeakPolarHBondContact CG1-CE1 3.49Å; K9-H68 PolarHBondContact O-CE1 2.9Å; K9-H68 PolarHBondContact O-NE2 3.12Å; P11-H68 HydrophobicContact CB-CB 4.03Å; P11-H68 HydrophobicContact CG-CB 4.24Å; L64-H68 VanDerWaalsContact O-CB 3.23Å; L64-H68 WeakPolarHBondContact O-CB 3.14Å; L64-H68 PolarHBondContact O-N 3.2Å; R65-H68 PolarHBondContact O-N 3.04Å; A66-H68 VanDerWaalsContact C-N 3.3Å; A66-H68 PolarHBondContact O-N 2.87Å; H68-K70 VanDerWaalsContact C-N 3.32Å; H68-H72 AromaticContact CE1-CD2 3.54Å; H68-H72 AromaticContact ND1-CD2 3.56Å; H68-H72 WeakPolarHBondContact O-CB 3.49Å; H68-H72 PolarHBondContact O-N 3.12Å; H68-Y75 AromaticContact CD2-CD1 3.92Å; H68-Y75 AromaticContact NE2-CD1 3.64Å; H68-Y75 AromaticContact NE2-CD2 3.59Å; H68-Y75 AromaticContact NE2-CE1 3.75Å; H68-Y75 AromaticContact NE2-CE2 3.72Å; H68-Y75 AromaticContact NE2-CG 3.54Å; H68-Y75 AromaticContact NE2-CZ 3.78Å
69M96Very high95.8Very high83 Ų8398.3 Ų98.341%0.40946%0.464SS..Hα-helixtrans-68.7-32.9175.1-62.4-66.377.400112R65 A66 M67 H72 P73 Y75R65-M69 WeakPolarHBondContact O-CG 3.44Å; R65-M69 PolarHBondContact O-N 3.22Å; A66-M69 PolarHBondContact O-N 3.21Å; M67-M69 VanDerWaalsContact C-N 3.34Å; M67-M69 PolarHBondContact O-N 2.96Å; M69-H72 CarbonylContact O-C 3.38Å; M69-P73 WeakPolarHBondContact O-CA 3.4Å; M69-Y75 HydrophobicContact CE-CD1 3.69Å; M69-Y75 HydrophobicContact CE-CE1 4.49Å; M69-Y75 HydrophobicContact CE-CG 4.4Å
70K96.1Very high95.4Very high171 Ų171104.3 Ų104.374%0.74348%0.48SS*.Hα-helixtrans-72-44.9176.6-175.5-177.2177.5-176.40112A66 M67 H68A66-K70 PolarHBondContact O-N 3.4Å; M67-K70 WeakPolarHBondContact O-CB 3.41Å; M67-K70 PolarHBondContact O-N 2.93Å; M67-K70 VanDerWaalsContact O-N 3.12Å; H68-K70 VanDerWaalsContact C-N 3.32Å
71E95.4Very high95.1Very high120 Ų120112.3 Ų112.356%0.56151%0.508SS*.Hα-helixtrans-72.7-30179.8-70.6170.9-176.200112.2M67M67-E71 WeakPolarHBondContact CE-OE1 3.09Å; M67-E71 WeakPolarHBondContact O-CB 3.42Å; M67-E71 WeakPolarHBondContact O-CG 3.33Å; M67-E71 PolarHBondContact O-N 2.87Å
72H93.6Very high94.6Very high66 Ų66119.7 Ų119.731%0.30654%0.537SS..  trans-130.776.8-179.8-53.8-69.4000111.1V8 H68 M69 D74 Y75V8-H72 HydrophobicContact CG1-CB 4.45Å; H68-H72 AromaticContact CE1-CD2 3.54Å; H68-H72 AromaticContact ND1-CD2 3.56Å; H68-H72 WeakPolarHBondContact O-CB 3.49Å; H68-H72 PolarHBondContact O-N 3.12Å; M69-H72 CarbonylContact O-C 3.38Å; H72-D74 VanDerWaalsContact C-N 3.27Å; H72-D74 PolarHBondContact O-N 3.4Å; H72-Y75 VanDerWaalsContact O-CB 3.23Å; H72-Y75 WeakPolarHBondContact O-CB 3.23Å; H72-Y75 PolarHBondContact O-N 3.01Å; H72-Y75 VanDerWaalsContact O-N 3.09Å
73P93.5Very high94.1Very high104 Ų104119.5 Ų119.568%0.67555%0.549SS*.THydrogen-bonded Turntrans-62.3-33-178.724.2-33.6000112.9M69 Y75M69-P73 WeakPolarHBondContact O-CA 3.4Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 PolarHBondContact O-N 3.09Å
74D93.1Very high93.3Very high155 Ų155123.2 Ų123.283%0.82957%0.568SS**THydrogen-bonded Turntrans-87.45.4178.3-61-43.4000113.7H72 K76H72-D74 VanDerWaalsContact C-N 3.27Å; H72-D74 PolarHBondContact O-N 3.4Å; D74-K76 PolarHBondContact O-N 3.31Å; D74-K76 VanDerWaalsContact O-N 3.12Å
75Y94.9Very high92.3Very high59 Ų59127 Ų12723%0.23159%0.594CS.*  trans-63.3119.3-178.8174.2-97000111.1V8 R10 H68 M69 H72 P73V8-Y75 HydrophobicContact CB-CD2 3.98Å; V8-Y75 HydrophobicContact CB-CE2 4.28Å; V8-Y75 HydrophobicContact CG1-CD2 3.53Å; V8-Y75 HydrophobicContact CG1-CE2 3.91Å; V8-Y75 HydrophobicContact CG1-CG 4.45Å; R10-Y75 WeakPolarHBondContact CG-OH 3.45Å; H68-Y75 AromaticContact CD2-CD1 3.92Å; H68-Y75 AromaticContact NE2-CD1 3.64Å; H68-Y75 AromaticContact NE2-CD2 3.59Å; H68-Y75 AromaticContact NE2-CE1 3.75Å; H68-Y75 AromaticContact NE2-CE2 3.72Å; H68-Y75 AromaticContact NE2-CG 3.54Å; H68-Y75 AromaticContact NE2-CZ 3.78Å; M69-Y75 HydrophobicContact CE-CD1 3.69Å; M69-Y75 HydrophobicContact CE-CE1 4.49Å; M69-Y75 HydrophobicContact CE-CG 4.4Å; H72-Y75 VanDerWaalsContact O-CB 3.23Å; H72-Y75 WeakPolarHBondContact O-CB 3.23Å; H72-Y75 PolarHBondContact O-N 3.01Å; H72-Y75 VanDerWaalsContact O-N 3.09Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 PolarHBondContact O-N 3.09Å
76K93.4Very high90.9Very high149 Ų149126.3 Ų126.365%0.64860%0.602SS**  trans-124.8125.9175.7-171.6169.2-175.4169.70111.1D74 R78D74-K76 PolarHBondContact O-N 3.31Å; D74-K76 VanDerWaalsContact O-N 3.12Å; K76-R78 PolarHBondContact O-N 3.32Å
77Y94.7Very high89.3Confident115 Ų115130.4 Ų130.445%0.45161%0.612SS.*  trans-68.7115.8175.1176.5-134.2000111.3R10 P79R10-Y77 VanDerWaalsContact CZ-OH 3.32Å; R10-Y77 PolarHBondContact NH1-OH 2.97Å; R10-Y77 PolarHBondContact NH2-OH 2.87Å; Y77-P79 HydrophobicContact CD1-CG 4.33Å; Y77-P79 HydrophobicContact CE1-CB 4.38Å; Y77-P79 HydrophobicContact CE1-CG 3.67Å; Y77-P79 HydrophobicContact CE2-CB 4.06Å; Y77-P79 HydrophobicContact CE2-CG 3.99Å; Y77-P79 VanDerWaalsContact CZ-CG 3.48Å; Y77-P79 WeakPolarHBondContact OH-CB 3.41Å
78R92.1Very high87.5Confident202 Ų202135.6 Ų135.676%0.76263%0.632SS**  trans-122.188.1177.8-66.3179.6-179.9-118.75.3110.7K76 R80K76-R78 PolarHBondContact O-N 3.32Å; R78-R80 PolarHBondContact O-N 2.91Å
79P92.6Very high85.6Confident76 Ų76144.3 Ų144.349%0.49467%0.67SS.*  trans-59.9127.8174.45.9-8.7000111.3Y77 R81Y77-P79 HydrophobicContact CD1-CG 4.33Å; Y77-P79 HydrophobicContact CE1-CB 4.38Å; Y77-P79 HydrophobicContact CE1-CG 3.67Å; Y77-P79 HydrophobicContact CE2-CB 4.06Å; Y77-P79 HydrophobicContact CE2-CG 3.99Å; Y77-P79 VanDerWaalsContact CZ-CG 3.48Å; Y77-P79 WeakPolarHBondContact OH-CB 3.41Å; P79-R81 PolarHBondContact O-N 3.02Å
80R90.8Very high83.9Confident210 Ų210147.6 Ų147.679%0.79269%0.689SS**  trans-77112175.4-171.2173.9-171.5-83.32.9109.9R78R78-R80 PolarHBondContact O-N 2.91Å
81R89.8Confident82.1Confident232 Ų232148.1 Ų148.188%0.87569%0.691SS**PPolyproline II helixtrans-74.6129.9170.4-57.6-174.892.9173.95.8108.6P79P79-R81 PolarHBondContact O-N 3.02Å
82K88.1Confident80.1Confident166 Ų166151.2 Ų151.272%0.72270%0.704SS**PPolyproline II helixtrans-90.7137.1167.2-67.2-174.3178.9-177.30108K84K82-K84 PolarHBondContact O-N 3.12Å
83P87.1Confident78.2Confident119 Ų119153.5 Ų153.577%0.77373%0.727SS**PPolyproline II helixtrans-55.9127.9171.2-21.131.6000109.3T85P83-T85 PolarHBondContact O-N 3.47Å
84K81.5Confident75.9Confident201 Ų201156.4 Ų156.487%0.87473%0.729SS**  trans-80.5108.3170.1-66.9-177.2179.8-177.80106.6K82 L86K82-K84 PolarHBondContact O-N 3.12Å; K84-L86 PolarHBondContact O-N 3.2Å; K84-L86 VanDerWaalsContact O-N 3.08Å
85T77.6Confident73.9Confident120 Ų120154.7 Ų154.774%0.73673%0.727SS**  trans-68.8105.2172.352.60000108.1P83 M87P83-T85 PolarHBondContact O-N 3.47Å; T85-M87 PolarHBondContact O-N 3.32Å; T85-M87 VanDerWaalsContact O-N 3.09Å
86L67.8Low71.8Confident154 Ų154157.5 Ų157.581%0.80675%0.75SS**  trans-79.727.5179.8-153.6116.8000112.5K84K84-L86 PolarHBondContact O-N 3.2Å; K84-L86 VanDerWaalsContact O-N 3.08Å
87M64.1Low69.8Low147 Ų147156.3 Ų156.372%0.72476%0.757SS**  trans-104.8122.8-167.9-35.5-84.781.800109.4T85T85-M87 PolarHBondContact O-N 3.32Å; T85-M87 VanDerWaalsContact O-N 3.09Å
88K58.4Low67.3Low182 Ų182161.2 Ų161.279%0.79178%0.776SS**  trans83.464.5173.4-64.5160177.6170.30116.4
89K57.8Low65.1Low200 Ų200158.5 Ų158.587%0.8778%0.777SS**  trans-108.152.2149.3-166173.1175.5173.50110.2
90D59.4Low62.7Low151 Ų151163.5 Ų163.581%0.80780%0.798SS**SBendtrans-124.115.5173.6-59.7-47.6000112.6
91K58Low60Low182 Ų182157 Ų15779%0.79180%0.797SS**SBendtrans-128.517.6-177.4-73.6177174.1-167.50115.1
92F54Low57.6Low186 Ų186154.7 Ų154.782%0.81680%0.796SS**  trans-123.866.2162.7-111.8-91.6000108.4F94F92-F94 PolarHBondContact O-N 3.32Å
93S52.7Low55.5Low114 Ų114155.9 Ų155.980%0.79780%0.804SS**  trans-67.4110.3154.4-160.90000105.8P95S93-P95 WeakPolarHBondContact O-CD 3.44Å
94F45.6Very low53.1Low165 Ų165157.9 Ų157.972%0.72481%0.808SS**  trans-61.2120.7169.7-114.6-99.1000107.3F92 V96F92-F94 PolarHBondContact O-N 3.32Å; F94-V96 PolarHBondContact O-N 3.3Å
95P52.3Low51Low119 Ų119152.9 Ų152.977%0.77380%0.804SS**  trans-72.4103.5170.128.2-28.3000107.4S93 P97S93-P95 WeakPolarHBondContact O-CD 3.44Å; P95-P97 WeakPolarHBondContact O-CD 3.42Å
96V50.8Low49.3Very low118 Ų118155.1 Ų155.172%0.71581%0.811SS**  trans-81.4114.9163.4176.30000106.4F94 Y98F94-V96 PolarHBondContact O-N 3.3Å; V96-Y98 PolarHBondContact O-N 3.38Å
97P49.9Very low48Very low123 Ų123157.6 Ų157.680%0.79982%0.815SS**  trans-85.9103.616931.9-24.3000107.5P95P95-P97 WeakPolarHBondContact O-CD 3.42Å
98Y43Very low46.6Very low219 Ų219156.8 Ų156.886%0.85982%0.818SS**  trans-114127155.6-140.8-92000107.7V96V96-Y98 PolarHBondContact O-N 3.38Å
99N46.6Very low45.6Very low145 Ų145153.8 Ų153.878%0.77582%0.82SS**  trans-68.4168178.9-83.1-36.8000112.3
100L41.1Very low44.4Very low180 Ų180148 Ų14894%0.94282%0.818SS**  trans101.2111.9156.5-12277.9000116.6
101G35Very low43.4Very low75 Ų75149.1 Ų149.177%0.77382%0.823SS**  trans150.27716400000114.1
102E38.3Very low42.3Very low183 Ų183146 Ų14686%0.85582%0.824SS**  trans-58.3124.2162.5-179.8-178.6168.300110.2
103H44.9Very low41.4Very low191 Ų191142.2 Ų142.288%0.88483%0.827SS**  trans-160.1117.8152.3-87-62.4000110.7
104D36Very low40.6Very low161 Ų161140.4 Ų140.486%0.86183%0.826SS**  trans-54135.3165.2-119.2-33.2000112.1
105A38.1Very low40.3Very low96 Ų96137.4 Ų137.479%0.79383%0.832SS**  trans-174.4112.3148.100000112.6
106L42.5Very low39.8Very low167 Ų167139.4 Ų139.487%0.87484%0.835SS**  trans-53.3134161.2-64.9153.5000112.4
107K39.4Very low39.2Very low205 Ų205139 Ų13989%0.89184%0.838SS**  trans-165.8105.1141.5-115.8173.1-175.31730114.1
108V35.8Very low38.4Very low131 Ų131140.4 Ų140.479%0.79484%0.839SS**  trans4.8145131.9149.20000119.5
109S37.1Very low38.2Very low118 Ų118135.5 Ų135.583%0.82584%0.836SS**  trans89.3124.515164.90000119.8
110G33.1Very low38Very low80 Ų80135.4 Ų135.483%0.82584%0.84SS**  trans162.662.5165.900000114.7
111L36.8Very low38.4Very low174 Ų174135.4 Ų135.491%0.91184%0.839SS**  trans-61.8140.4167.4-72156000111.3
112S34.8Very low38.5Very low116 Ų116135.1 Ų135.181%0.81184%0.837SS**  trans156.4108.613747.20000108.8
113A35.6Very low38.8Very low106 Ų106133.2 Ų133.288%0.87683%0.832SS**  104.7106.785.600000109
114G35.9Very low39.1Very low76 Ų76129.1 Ų129.178%0.78482%0.823SS**  trans-176.257.5-178.100000113.8
115A39.7Very low39.6Very low103 Ų103128.3 Ų128.385%0.85182%0.818SS**  trans4597.3151.800000118.2
116L41.6Very low40.2Very low161 Ų161132.5 Ų132.584%0.84382%0.819SS**  trans-74.3160150-64.8170000110.1
117S38.1Very low40.3Very low110 Ų110128 Ų12877%0.76981%0.805SS**  trans69.2131.5160.544.70000115.5
118D34Very low40.7Very low152 Ų152122 Ų12281%0.81379%0.794SS**  -163.2161.654.9-150.7-7.7000113
119S37.9Very low41.4Very low116 Ų116119.6 Ų119.681%0.81179%0.788SS**  trans111.956176.7-49.30000115.3
120V43.3Very low42Very low142 Ų142117.7 Ų117.786%0.86178%0.779SS**  trans-98.795.5150.7150.70000108.1
121I49.7Very low42.7Very low180 Ų180117.3 Ų117.392%0.92377%0.769SS**  trans-147.3108.4149-58.2-172.2000106.9
122G36.2Very low43.1Very low69 Ų69112.6 Ų112.671%0.71176%0.755SS**SBendtrans151.995.3167.500000116.4
123N43.5Very low43.6Very low143 Ų143110.8 Ų110.877%0.76575%0.747SS**  trans79.2117.6157.8-73.50.1000120.8D125N123-D125 PolarHBondContact O-N 3.08Å
124P52.1Low44.1Very low106 Ų106109.4 Ų109.469%0.68874%0.736SS**G310 helixtrans-77.7-9.9177.730.9-33.9000115.6K126P124-K126 VanDerWaalsContact C-N 3.3Å; P124-K126 PolarHBondContact O-N 3.09Å
125D47.4Very low44.4Very low143 Ų143109.8 Ų109.877%0.76573%0.731SS**G310 helixtrans-81.2-1.7-170.9-59.7-43.8000115.4N123N123-D125 PolarHBondContact O-N 3.08Å
126K49.2Very low44.5Very low184 Ų184109 Ų10980%0.873%0.725SS**G310 helixtrans-105.3-4.3179.2-120.7175.7-175.7176.60114.9P124P124-K126 VanDerWaalsContact C-N 3.3Å; P124-K126 PolarHBondContact O-N 3.09Å
127A45Very low44.8Very low72 Ų72112.3 Ų112.360%0.59573%0.726SS**SBendtrans-80.8-27.6179.900000113.3A129A127-A129 PolarHBondContact O-N 3.27Å
128A49.1Very low45.2Very low80 Ų80112 Ų11266%0.66172%0.719SS**Hα-helixtrans-71.6-30.1-177.600000113.7
129A49.9Very low45.8Very low80 Ų80114 Ų11466%0.66172%0.721SS**Hα-helixtrans-76.7-22.6-179.800000113.5A127A127-A129 PolarHBondContact O-N 3.27Å
130A49.1Very low45.7Very low78 Ų78118.8 Ų118.865%0.64573%0.727SS**Hα-helixtrans-83.4-23.2178.600000113
131A47.6Very low45.4Very low72 Ų72119.1 Ų119.160%0.59572%0.724SS**Hα-helixtrans-81.3-24.6178.700000113.6
132A45.4Very low45.1Very low76 Ų76116 Ų11663%0.62872%0.716SS**THydrogen-bonded Turntrans-77.8-18.7-178.300000114.5
133A45.4Very low45Very low77 Ų77117 Ų11764%0.63671%0.712SS**THydrogen-bonded Turntrans-84-10.9-178.700000114
134A45.3Very low44.7Very low78 Ų78118.5 Ų118.565%0.64572%0.717SS**SBendtrans-91.1-16.5-176.900000113.9
135A43.1Very low44.1Very low83 Ų83119.4 Ų119.469%0.68673%0.725SS**SBendtrans-90.6-8.2-174.500000115.1
136A42.7Very low43.7Very low87 Ų87116.8 Ų116.872%0.71972%0.724SS**SBendtrans-100.517.6-174.500000114.7
137R47.2Very low43.5Very low231 Ų231115.6 Ų115.687%0.87273%0.726SS**SBendtrans-118.28.8-178.8-65.7-158.1171.21631.8115.3
138V46.2Very low43.5Very low102 Ų102117.2 Ų117.262%0.61873%0.73SS**SBendtrans-108.7132.9165.8-151.40000104.6
139F46.8Very low42.9Very low194 Ų194124 Ų12485%0.85174%0.741SS**SBendtrans86.970.8-173.9-48.8-73.8000117
140F35.1Very low42.5Very low217 Ų217126.1 Ų126.195%0.95275%0.75SS**  179.5109.4122-131.2-104000112.9
141N37.8Very low42Very low149 Ų149130.2 Ų130.280%0.79775%0.754SS**  trans-171.3137.1145.7-15327.8000105.6
142P43.6Very low41.5Very low114 Ų114135 Ų13574%0.7476%0.761SS**  -148.7166.458.136.5-13.8000118.4
143S33.5Very low41.1Very low91 Ų91138.7 Ų138.764%0.63677%0.771SS**  trans94141.7143-1540000120.1
144M36.6Very low40.7Very low174 Ų174142.9 Ų142.986%0.85778%0.782SS**  trans89.392.8163.9-58.9-67.2157.100119
145S40.2Very low40.2Very low125 Ų125142 Ų14287%0.87478%0.78SS**  trans-162.5105.6136.2179.40000109
146A38.9Very low39.9Very low88 Ų88143.8 Ų143.873%0.72779%0.788SS**PPolyproline II helixtrans-82141.7-178.600000111.2
147N45.8Very low39.5Very low160 Ų160149.3 Ų149.386%0.85680%0.796SS**PPolyproline II helixtrans-63.3127.3161.1-72.7-31.9000109.6
148P45.3Very low39Very low105 Ų105146.2 Ų146.268%0.68279%0.793SS**PPolyproline II helixtrans-86.6142.2166.932.5-28.2000110.2
149Y36.1Very low38.4Very low223 Ų223146.7 Ų146.788%0.87580%0.796SS**  trans95.964.6176.9-56.4-73.4000117.9
150S41.4Very low37.8Very low124 Ų124145.6 Ų145.687%0.86779%0.794SS**  trans-132.686.9140.254.40000108.2
151F38.2Very low37.6Very low165 Ų165143.7 Ų143.772%0.72479%0.793SS**  trans-118.195.4175.5-174.5-120.3000107.5
152F36.3Very low37.5Very low171 Ų171141.7 Ų141.775%0.7579%0.79SS**  -179.6114.1114.4-99.3-69.7000109.4
153D37.8Very low38.5Very low155 Ų155141.5 Ų141.583%0.82979%0.789SS**  trans-84.5162175.3-158.41.3000110.8
154L37.7Very low39.5Very low164 Ų164142.8 Ų142.886%0.85980%0.795SS**  trans-63.5147.8-176.2-176.267.1000115
155G35Very low39.3Very low60 Ų60139.8 Ų139.862%0.61979%0.791SS**  trans118.1111.7135.200000120.4
156S37Very low39.2Very low121 Ų121143.5 Ų143.585%0.84679%0.792SS**  trans78.1110.5133.4-57.40000122
157K33.8Very low39.9Very low203 Ų203145.1 Ų145.188%0.88380%0.795SS**  -173.3141108.6-107.1-177.3177.3-172.90113.8
158M36.1Very low39.3Very low165 Ų165148 Ų14881%0.81380%0.796SS**  trans-55.7151170.759.6-161.5-127.400116.5
159T34Very low38.7Very low112 Ų112146.4 Ų146.469%0.68779%0.792SS**  160.9115.7116.5-67.90000111.4
160E33.3Very low39.1Very low172 Ų172141.2 Ų141.280%0.80479%0.788SS**  trans29125.4136-148.8179.5-174.300120.1
161L32.3Very low39.7Very low176 Ų176140.7 Ų140.792%0.92178%0.781SS**  trans-178.1133.5130.9-89.3179.8000109.5
162S34.4Very low39.6Very low107 Ų107140.9 Ų140.975%0.74879%0.789SS**  trans-152.7170174.7-163.40000107.9
163P65Low39.4Very low110 Ų110136.3 Ų136.371%0.71479%0.79SS**  -124.6-164.5-53.137.6-20.1000110.1
164P54.1Low39.3Very low118 Ų118138.9 Ų138.977%0.76679%0.79SS**  -143.1177.475.628.9-4.1000111.8
165S32.8Very low39.8Very low111 Ų111136.9 Ų136.978%0.77679%0.787SS**  cis-166.913635.210.30000111.1
166F37.9Very low40.6Very low204 Ų204138.8 Ų138.890%0.89579%0.788SS**  trans-72.4171.2160.7-78.1-73.6000110.4
167P53.9Low40.4Very low121 Ų121136.9 Ų136.979%0.78679%0.788SS**  cis-159.1160.147.641.1-17.5000121.1
168Y32.5Very low40.3Very low221 Ų221131 Ų13187%0.86778%0.784SS**  trans-161.592.7131.1-161.8-101000107.6
169A32.7Very low40.2Very low72 Ų72128.2 Ų128.260%0.59579%0.788SS**  74.8100.393.900000114.1
170S44.5Very low40.5Very low113 Ų113127.9 Ų127.979%0.7980%0.796SS**  trans-67.5-168169.5-28.70000112.1
171P54.8Low40.5Very low113 Ų113124.7 Ų124.773%0.73480%0.8SS**  cis-154-171.939.734.6-6.5000118.9
172L36.5Very low40.7Very low169 Ų169125.3 Ų125.389%0.88580%0.795SS**  trans94.1119.4172.1-78.984.7000115.2
173G30.8Very low40.7Very low76 Ų76125.8 Ų125.878%0.78479%0.794SS**  cis159.5118.84.400000107.9
174Y36.6Very low39.2Very low209 Ų209123.3 Ų123.382%0.8279%0.789SS**  trans-70.5163.7172.1-124.1-115.3000109.8P176Y174-P176 HydrophobicContact CD1-CB 4.46Å; Y174-P176 HydrophobicContact CD1-CG 4.2Å; Y174-P176 HydrophobicContact CE1-CB 3.98Å; Y174-P176 HydrophobicContact CE1-CG 3.97Å
175P48Very low38.3Very low121 Ų121125 Ų12579%0.78680%0.796SS**  -151.5-175.156.638.5-13.2000117.6
176P50.9Low38.4Very low100 Ų100123.9 Ų123.965%0.64980%0.803SS**  trans-113.1167-156.941.3-29.8000115.9Y174Y174-P176 HydrophobicContact CD1-CB 4.46Å; Y174-P176 HydrophobicContact CD1-CG 4.2Å; Y174-P176 HydrophobicContact CE1-CB 3.98Å; Y174-P176 HydrophobicContact CE1-CG 3.97Å
177G34.1Very low38Very low82 Ų82118 Ų11885%0.84580%0.8SS**  trans82.6123.9142.900000120.4
178G31.9Very low37.4Very low78 Ų78119.8 Ų119.880%0.80481%0.808SS**  trans112.8121.5141.300000119.5
179A33.8Very low37.3Very low108 Ų108112.9 Ų112.989%0.89380%0.804SS**  trans73.5126.9148.100000122.2
180A39.6Very low37.8Very low104 Ų104113.8 Ų113.886%0.8682%0.821SS**  trans-5.8134.4157.500000120.7
181A32.7Very low37.2Very low106 Ų106111.3 Ų111.388%0.87681%0.813SS**  -171156.812900000111.2
182F37.2Very low36.6Very low188 Ų188112.2 Ų112.283%0.82582%0.816SS**  trans-86.5-179-168.9117-70.8000113.9
183T35.1Very low37Very low117 Ų117112 Ų11272%0.71881%0.81SS**  trans82.7135-175.264.40000114
184G33.6Very low37.8Very low59 Ų59114 Ų11461%0.60881%0.808SS**  cis155.4144.88.500000106.7
185T34.4Very low38.4Very low152 Ų152111.3 Ų111.393%0.93380%0.802SS**  trans71.3109164.555.20000120.8
186G34.3Very low38.4Very low88 Ų88111.7 Ų111.791%0.90780%0.802SS**  78.7104.7117.200000119.2
187G30.8Very low38.8Very low81 Ų81112.7 Ų112.784%0.83580%0.798SS**  trans-17796.6166.600000113.4
188V40.4Very low40Very low159 Ų159112.4 Ų112.496%0.96478%0.784SS**  trans-63.2131.7171.7-86.70000112
189G31.3Very low41.3Very low76 Ų76114.4 Ų114.478%0.78477%0.772SS**  trans179.2123.4171.200000112.1
190G43Very low42.3Very low91 Ų91113.3 Ų113.394%0.93876%0.756SS**  trans-63.5133.7-159.900000116.4
191G31.5Very low42.7Very low60 Ų60110.2 Ų110.262%0.61973%0.727SS**  trans-110.212216900000110.3H193G191-H193 PolarHBondContact O-N 3.02Å
192T41.8Very low44.1Very low133 Ų133112 Ų11282%0.81673%0.73SS**  trans-57.6118.616748.10000109.5T194T192-T194 PolarHBondContact O-N 3.21Å
193H44.6Very low45.2Very low164 Ų164106.7 Ų106.776%0.75973%0.728SS**  trans-66.6101.8178-63-91.4000110.3G191 H195G191-H193 PolarHBondContact O-N 3.02Å; H193-H195 PolarHBondContact O-N 3.39Å
194T47.9Very low46Very low119 Ų119105.5 Ų105.573%0.7372%0.718SS**  trans-79.5109.2165.3540000108.4T192 T196T192-T194 PolarHBondContact O-N 3.21Å; T194-T196 PolarHBondContact O-N 3.22Å
195H49.9Very low47.3Very low151 Ų151108.1 Ų108.170%0.69972%0.724SS**  trans-79.3106.3172.9-62.7-78000109.4H193H193-H195 PolarHBondContact O-N 3.39Å
196T47.7Very low48.6Very low129 Ų129104 Ų10479%0.79171%0.712SS**  trans-85.3111.417346.70000109.3T194T194-T196 PolarHBondContact O-N 3.22Å
197H59.7Low49.5Very low121 Ų121107.6 Ų107.656%0.5670%0.699SS**  trans-97126.6170.3-71.6-81.2000109.5C211H197-C211 PolarHBondContact O-SG 2.95Å
198S59Low51.2Low77 Ų77108.6 Ų108.654%0.53868%0.683SS.*EExtended strand (participates in β ladder)trans-109.8128.2173.7430000109.3
199H57.9Low52.3Low120 Ų120105.3 Ų105.356%0.55666%0.659SS**EExtended strand (participates in β ladder)trans-117.7142.6174.9-68.4-74.7000110.1
200P55.6Low53.7Low85 Ų85107.1 Ų107.155%0.55266%0.657SS**EExtended strand (participates in β ladder)trans-69.5136.4178.326.4-31.7000111.1M208P200-M208 HydrophobicContact CB-CE 4.49Å
201S49.1Very low54.7Low38 Ų38105.2 Ų105.227%0.26663%0.629SS.*EExtended strand (participates in β ladder)trans-68.9135.9178.4-176.70000111.2G203 N204S201-G203 PolarHBondContact O-N 3.16Å; S201-N204 PolarHBondContact O-N 3.11Å
202P60.2Low55.9Low145 Ų145109.8 Ų109.894%0.94264%0.639SS**THydrogen-bonded Turntrans-63.2-0.2-174.4-21.832.2000116.5
203G61.7Low56.4Low76 Ų76108.1 Ų108.178%0.78463%0.632SS**THydrogen-bonded Turntrans-132.5-1.7179.600000115.4S201S201-G203 PolarHBondContact O-N 3.16Å
204N51.9Low56.6Low92 Ų92105.8 Ų105.849%0.49263%0.629SS.*EExtended strand (participates in β ladder)trans-158.4106.9178.1-168.3-19.9000110.7S201 G206 Y207S201-N204 PolarHBondContact O-N 3.11Å; N204-G206 PolarHBondContact O-N 2.87Å; N204-G206 PolarHBondContact OD1-N 3.09Å; N204-G206 VanDerWaalsContact OD1-N 3.12Å; N204-Y207 PolarHBondContact O-N 2.85Å
205P60.8Low56.7Low114 Ų114104.2 Ų104.274%0.7463%0.628SS**EExtended strand (participates in β ladder)trans-70.5-8.1-17728-33.2000113.9
206G60.9Low56.6Low66 Ų66108.4 Ų108.468%0.6864%0.638SS**EExtended strand (participates in β ladder)trans-89.3-4.917900000115.4N204N204-G206 PolarHBondContact O-N 2.87Å; N204-G206 PolarHBondContact OD1-N 3.09Å; N204-G206 VanDerWaalsContact OD1-N 3.12Å
207Y54.6Low56.4Low163 Ų163108 Ų10864%0.63964%0.638SS**EExtended strand (participates in β ladder)trans-119.7114.6-176.8-151.6-94.6000111.2N204 I209N204-Y207 PolarHBondContact O-N 2.85Å; Y207-I209 HydrophobicContact CD1-CG1 4.23Å
208M66.1Low56.1Low102 Ų102108.6 Ų108.650%0.50266%0.656SS.*EExtended strand (participates in β ladder)trans-91.5120.9177.6-69.4-75.7155.100109.2P200P200-M208 HydrophobicContact CB-CE 4.49Å
209I62.4Low55.4Low89 Ų89109.4 Ų109.446%0.45667%0.667SS.*EExtended strand (participates in β ladder)trans-95.6119.8178.1-60.2171.8000108.2Y207 C211Y207-I209 HydrophobicContact CD1-CG1 4.23Å; I209-C211 PolarHBondContact O-N 3.04Å
210P61.6Low54.7Low114 Ų114107.3 Ų107.374%0.7468%0.678SS**EExtended strand (participates in β ladder)trans-70.7123.9173.626.3-29.6000109.4
211C63.8Low54.4Low51 Ų51111.2 Ų111.235%0.34569%0.694SS.*PPolyproline II helixtrans-98.6122.9172.153.70000109.7H197 I209 C213H197-C211 PolarHBondContact O-SG 2.95Å; I209-C211 PolarHBondContact O-N 3.04Å; C211-C213 VanDerWaalsContact C-N 3.31Å; C211-C213 PolarHBondContact O-N 3.12Å
212N56.4Low54.4Low156 Ų156117 Ų11783%0.83472%0.716SS**  trans-87.876.7171.8-168.621.6000108.7T214N212-T214 PolarHBondContact O-N 2.95Å
213C52.3Low54.1Low99 Ų99114.4 Ų114.467%0.66970%0.7SS**  trans-79.9105.3170.5-59.50000107.2C211 A215C211-C213 VanDerWaalsContact C-N 3.31Å; C211-C213 PolarHBondContact O-N 3.12Å; C213-A215 PolarHBondContact O-N 3.33Å
214T49.4Very low53.7Low114 Ų114116.8 Ų116.870%0.69970%0.701SS**  trans-58108.5169.1-48.80000107.9N212 W216N212-T214 PolarHBondContact O-N 2.95Å; T214-W216 PolarHBondContact O-N 3.2Å; T214-W216 VanDerWaalsContact O-N 3.12Å
215A48.8Very low53.7Low86 Ų86118.2 Ų118.271%0.71171%0.708SS**  trans-53120.1168.800000107.5C213C213-A215 PolarHBondContact O-N 3.33Å
216W47.8Very low53.2Low239 Ų239117 Ų11791%0.90571%0.708SS**  trans-54.8133.5167.6-76.935.9000107.3T214 S218T214-W216 PolarHBondContact O-N 3.2Å; T214-W216 VanDerWaalsContact O-N 3.12Å; W216-S218 PolarHBondContact O-N 3.38Å
217P45.4Very low52.9Low120 Ų120123.7 Ų123.778%0.77971%0.714SS**  trans-63.3108.8174.423.8-29.1000108.1A219P217-A219 PolarHBondContact O-N 3.09Å
218S52.7Low53.2Low134 Ų134123 Ų12394%0.93772%0.72SS**  trans-64.990.6158.5-88.70000107.5W216W216-S218 PolarHBondContact O-N 3.38Å
219A44.3Very low52.5Low95 Ų95126.1 Ų126.179%0.78574%0.737SS**  trans-143.9110.9164.600000108.6P217P217-A219 PolarHBondContact O-N 3.09Å
220G42.4Very low52Low76 Ų76128.7 Ų128.778%0.78475%0.751SS**  trans113.590.5166.700000114.1Q222G220-Q222 PolarHBondContact O-N 3.44Å
221L50.4Low51.3Low167 Ų167129.4 Ų129.487%0.87476%0.756SS**  trans-57.9106.7153.2-84.688.4000108.8
222Q48.7Very low50.7Low158 Ų158130.5 Ų130.574%0.73878%0.776SS**  trans-132.6110.9146-80.2-62.1-7000106.9G220G220-Q222 PolarHBondContact O-N 3.44Å
223P53.5Low50.2Low92 Ų92132.4 Ų132.460%0.59778%0.782SS**  trans-61.4144.9165.927.6-31.7000108.3L225P223-L225 PolarHBondContact O-N 3.24Å; P223-L225 VanDerWaalsContact O-N 3.09Å
224P53.6Low49.9Very low125 Ų125131 Ų13181%0.81279%0.785SS**  trans-60.3119.2167.125.9-31.5000107.8A226P224-A226 PolarHBondContact O-N 3.12Å
225L51.5Low50.1Low123 Ų123135.3 Ų135.364%0.64479%0.794SS**  trans-57.7101.9167.1-108.381.9000107.5P223 Y227P223-L225 PolarHBondContact O-N 3.24Å; P223-L225 VanDerWaalsContact O-N 3.09Å; L225-Y227 HydrophobicContact CB-CE2 4.32Å; L225-Y227 HydrophobicContact CD2-CE2 4.43Å; L225-Y227 PolarHBondContact O-N 3.18Å; L225-Y227 VanDerWaalsContact O-N 3.16Å
226A51.4Low50.2Low89 Ų89137.3 Ų137.374%0.73680%0.8SS**  trans-72.1102166.500000107.2P224 I228P224-A226 PolarHBondContact O-N 3.12Å; A226-I228 PolarHBondContact O-N 2.91Å; A226-I228 VanDerWaalsContact O-N 3.11Å
227Y54.3Low50.2Low206 Ų206134 Ų13481%0.80880%0.795SS**  trans-67.4109.4167.9-77.5-87.2000108.3L225 L229L225-Y227 HydrophobicContact CB-CE2 4.32Å; L225-Y227 HydrophobicContact CD2-CE2 4.43Å; L225-Y227 PolarHBondContact O-N 3.18Å; L225-Y227 VanDerWaalsContact O-N 3.16Å; Y227-L229 PolarHBondContact O-N 3.44Å
228I59.9Low50.2Low148 Ų148136 Ų13676%0.75980%0.797SS**  trans-71.5107.2167.5-61.2172.7000106.4A226 L230A226-I228 PolarHBondContact O-N 2.91Å; A226-I228 VanDerWaalsContact O-N 3.11Å; I228-L230 HydrophobicContact CG2-CD1 4.11Å; I228-L230 PolarHBondContact O-N 3.25Å
229L51.6Low49.9Very low167 Ų167137.8 Ų137.887%0.87479%0.791SS**  trans-72.2104.1174.1-168.273.3000108.6Y227Y227-L229 PolarHBondContact O-N 3.44Å
230L51.5Low50.4Low143 Ų143137.4 Ų137.475%0.74978%0.781SS**  trans-74.4136.1166.9-89.580.2000109.8I228I228-L230 HydrophobicContact CG2-CD1 4.11Å; I228-L230 PolarHBondContact O-N 3.25Å
231P48Very low50.5Low130 Ų130144.3 Ų144.384%0.84479%0.785SS**  trans-82.3130-17630.7-30.7000111.6
232G51.8Low50.7Low74 Ų74141.2 Ų141.276%0.76378%0.775SS**  trans115.590.9160.500000114
233M45.8Very low50.9Low195 Ų195138.3 Ų138.396%0.96178%0.778SS**  trans-160.8115.9145.5-103.9172.185.300109.5
234G44.9Very low50.6Low71 Ų71144.2 Ų144.273%0.73279%0.79SS**  trans56.5105.5144.700000119.5P236G234-P236 WeakPolarHBondContact O-CD 3.4Å
235K53.8Low50.2Low204 Ų204143.1 Ų143.189%0.88779%0.791SS**  trans-60.2140.6150.9-60.8174.7179.5176.40109.6
236P50.9Low49.9Very low127 Ų127141.9 Ų141.983%0.82580%0.798SS**  trans-107.4117.6141.530.7-26.3000110.1G234G234-P236 WeakPolarHBondContact O-CD 3.4Å
237Q47.7Very low49.5Very low171 Ų171142.2 Ų142.280%0.79980%0.801SS**  trans-68.1134.8161.6-175101.3800108.9
238L46.3Very low48.8Very low160 Ų160144.3 Ų144.384%0.83883%0.825SS**  trans16699.3149-91152.7000109.2
239E45.4Very low48.2Very low173 Ų173144.1 Ų144.181%0.80883%0.828SS**  93.4157.9105.6-108.6-93.9129.400111.8
240P54.6Low48Very low87 Ų87142.9 Ų142.957%0.56583%0.826SS**  -117.8168.5-117.39.617.8000112.1
241Y44Very low47.8Very low221 Ų221142.9 Ų142.987%0.86783%0.83SS**  trans-41.6127.7168.7-119.4-101.3000114.1A243Y241-A243 PolarHBondContact O-N 3.02Å
242P56.4Low47.8Very low102 Ų102143.6 Ų143.666%0.66283%0.829SS**  trans-80.9115.5156.330.3-27000108.9Y244P242-Y244 PolarHBondContact O-N 3.32Å
243A51.6Low47.6Very low97 Ų97148 Ų14880%0.80283%0.833SS**  trans-63.1114.5164.400000109.7Y241Y241-A243 PolarHBondContact O-N 3.02Å
244Y47.6Very low47.7Very low216 Ų216144.9 Ų144.985%0.84783%0.825SS**  trans-116.776156.960.7-87.1000108.7P242P242-Y244 PolarHBondContact O-N 3.32Å
245A46Very low47.9Very low102 Ų102150.1 Ų150.184%0.84383%0.831SS**  trans-123.679.8156.900000106.9
246A43.5Very low47.4Very low96 Ų96146 Ų14679%0.79383%0.827SS**  trans-158.4126.6162.800000109.2
247A42.9Very low47.2Very low96 Ų96147.6 Ų147.679%0.79383%0.827SS**  trans72.886.9168.400000117.9
248L39.8Very low47.1Very low250 Ų250145.5 Ų145.5100%1.30983%0.83SS**  173.20107.4-86.4170.1000110

Retrieved 248 of 248 residues in 32.2 ms (Link to these results)

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