A0A061I4K0_CRIGR Loading...

SRY (sex determining region Y)-box 14

AlphaFold DB (Q04892), UniProt , Accession A0A061I4K0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sox14, Length 240 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
1M44.3Very low79.6Confident244 Ų244131.5 Ų131.5100%1.20268%0.681SS**  099.30-70.5-169.2161.300109.3
2S61Low81.1Confident116 Ų116126.5 Ų126.581%0.81165%0.654SS**PPolyproline II helixtrans-58.9136165.733.50000108.5
3K65.1Low82.4Confident186 Ų186123.9 Ų123.981%0.80964%0.641SS**PPolyproline II helixtrans-60.7141170.4-68.3166.9-176162.80107.2S5K3-S5 PolarHBondContact O-N 3.33Å; K3-S5 VanDerWaalsContact O-N 3.13Å
4P69.9Low83.6Confident95 Ų95116.3 Ų116.362%0.61761%0.606SS**PPolyproline II helixtrans-52.7125.3173.720.7-30.4000108.3D6 H7P4-D6 PolarHBondContact O-N 3.15Å; P4-H7 PolarHBondContact O-N 3.11Å
5S74.1Confident84.6Confident119 Ų119111.7 Ų111.783%0.83258%0.579SS**THydrogen-bonded Turntrans-60-15.8-174.2-167.10000112.4K3 H7K3-S5 PolarHBondContact O-N 3.33Å; K3-S5 VanDerWaalsContact O-N 3.13Å; S5-H7 VanDerWaalsContact C-N 3.3Å; S5-H7 PolarHBondContact O-N 2.86Å
6D86.5Confident85.4Confident144 Ų144110.6 Ų110.677%0.7757%0.572SS**THydrogen-bonded Turntrans-83.2-3.1-175.5-46.1-41.7000113.3P4 I8P4-D6 PolarHBondContact O-N 3.15Å; D6-I8 PolarHBondContact O-N 3.11Å; D6-I8 VanDerWaalsContact O-N 3.09Å
7H89.9Confident86.2Confident129 Ų129105.6 Ų105.660%0.59755%0.548SS*.  trans-73.7105.8175.6-18051.6000111.9P4 S5 K9P4-H7 PolarHBondContact O-N 3.11Å; S5-H7 VanDerWaalsContact C-N 3.3Å; S5-H7 PolarHBondContact O-N 2.86Å; H7-K9 PolarHBondContact O-N 3.29Å
8I94.1Very high86.9Confident57 Ų57100.4 Ų100.429%0.29252%0.52SS..  trans-64115.4173-59.3166.5000110.3D6 H68 H72 Y75D6-I8 PolarHBondContact O-N 3.11Å; D6-I8 VanDerWaalsContact O-N 3.09Å; I8-H68 WeakPolarHBondContact CG2-CE1 3.47Å; I8-H72 HydrophobicContact CD1-CB 4.14Å; I8-Y75 HydrophobicContact CB-CD2 3.97Å; I8-Y75 HydrophobicContact CB-CE2 4.22Å; I8-Y75 HydrophobicContact CG2-CD2 3.48Å; I8-Y75 VanDerWaalsContact CG2-CD2 3.48Å; I8-Y75 HydrophobicContact CG2-CE2 3.8Å; I8-Y75 HydrophobicContact CG2-CG 4.41Å
9K95.1Very high87.5Confident168 Ų16895.2 Ų95.273%0.7349%0.493SS*.PPolyproline II helixtrans-77151.5176.3-67.5179.9-176.8169.10110.8H7 H68H7-K9 PolarHBondContact O-N 3.29Å; K9-H68 PolarHBondContact O-CE1 3.13Å
10R97.1Very high88Confident145 Ų14599.5 Ų99.555%0.54750%0.502SS..PPolyproline II helixtrans-62.3145.9173.8-57.8173-166-148.921.1111.2Y75 Y77R10-Y75 VanDerWaalsContact CG-OH 3.3Å; R10-Y75 WeakPolarHBondContact CG-OH 3.25Å; R10-Y77 VanDerWaalsContact CZ-OH 3.31Å; R10-Y77 PolarHBondContact NH1-OH 3.47Å; R10-Y77 PolarHBondContact NH2-OH 3.29Å
11P98.1Very high88.4Confident43 Ų4396.4 Ų96.428%0.27950%0.496SS..PPolyproline II helixtrans-65145.8170.428.3-32.6000110.1R65 H68P11-R65 HydrophobicContact CG-CG 4.47Å; P11-H68 HydrophobicContact CB-CB 4.07Å; P11-H68 HydrophobicContact CG-CB 4.27Å
12M97.9Very high91Very high72 Ų7287.3 Ų87.336%0.35545%0.45SS..PPolyproline II helixtrans-69.8134.2179-67.6-174.4-65.600110.3M16 V17 L64M12-M16 HydrophobicContact CB-CB 3.92Å; M12-M16 HydrophobicContact CG-CB 4.2Å; M12-V17 HydrophobicContact CB-CG2 3.78Å; M12-V17 HydrophobicContact CE-CG2 4.38Å; M12-L64 HydrophobicContact CB-CD1 4.33Å; M12-L64 HydrophobicContact CE-CD1 3.98Å
13N98.5Very high92.7Very high93 Ų9385.1 Ų85.150%0.49742%0.424SS..PPolyproline II helixtrans-78.3173.9168.571.79.2000110.8F15 M16 V17N13-F15 PolarHBondContact O-N 3.38Å; N13-F15 PolarHBondContact OD1-N 3.46Å; N13-M16 PolarHBondContact O-N 2.82Å; N13-M16 WeakPolarHBondContact OD1-CB 3.34Å; N13-M16 WeakPolarHBondContact OD1-CG 3.39Å; N13-M16 PolarHBondContact OD1-N 3.2Å; N13-V17 WeakPolarHBondContact O-CG2 3.48Å; N13-V17 PolarHBondContact O-N 3.06Å
14A98.3Very high94.3Very high17 Ų1784.6 Ų84.614%0.1442%0.417CS..Hα-helixtrans-54.1-47.4-175.900000113.4M16 V17 W18 W46 I58 A61A14-M16 PolarHBondContact O-N 3.23Å; A14-V17 PolarHBondContact O-N 2.91Å; A14-W18 PolarHBondContact O-N 3.35Å; A14-W46 HydrophobicContact CB-CH2 4.04Å; A14-W46 HydrophobicContact CB-CZ2 4.03Å; A14-I58 HydrophobicContact CB-CB 4.47Å; A14-I58 HydrophobicContact CB-CG1 3.82Å; A14-A61 HydrophobicContact CB-CB 4.19Å; A14-A61 VanDerWaalsContact N-CB 3.31Å
15F98.6Very high95.6Very high47 Ų4785.3 Ų85.321%0.20641%0.41CS..Hα-helixtrans-61.5-41.2177.1172.6-103.1000112.4N13 V17 W18 S19 W46N13-F15 PolarHBondContact O-N 3.38Å; N13-F15 PolarHBondContact OD1-N 3.46Å; F15-V17 VanDerWaalsContact C-N 3.35Å; F15-W18 AromaticContact CD2-CE3 3.98Å; F15-W18 HydrophobicContact CD2-CE3 3.98Å; F15-W18 HydrophobicContact CD2-CZ3 4.13Å; F15-W18 HydrophobicContact CE2-CE3 4.08Å; F15-W18 AromaticContact CE2-CZ3 3.82Å; F15-W18 HydrophobicContact CE2-CZ3 3.82Å; F15-W18 PolarHBondContact O-N 3.33Å; F15-S19 WeakPolarHBondContact O-CB 3.39Å; F15-S19 PolarHBondContact O-N 2.85Å; F15-S19 PolarHBondContact O-OG 3.17Å; F15-W46 HydrophobicContact CB-CD2 4.46Å; F15-W46 HydrophobicContact CD2-CB 3.81Å; F15-W46 AromaticContact CD2-CD1 3.92Å; F15-W46 AromaticContact CD2-CD2 3.95Å; F15-W46 HydrophobicContact CD2-CD2 3.95Å; F15-W46 AromaticContact CD2-CG 3.59Å; F15-W46 HydrophobicContact CD2-CG 3.59Å; F15-W46 HydrophobicContact CE2-CB 3.97Å; F15-W46 HydrophobicContact CE2-CG 4.25Å
16M98.4Very high96.6Very high94 Ų9480.3 Ų80.346%0.46337%0.374SS..Hα-helixtrans-67.9-34.1178.8-70.7-64.1-162.400112.4M12 N13 A14 S19 R20M12-M16 HydrophobicContact CB-CB 3.92Å; M12-M16 HydrophobicContact CG-CB 4.2Å; N13-M16 PolarHBondContact O-N 2.82Å; N13-M16 WeakPolarHBondContact OD1-CB 3.34Å; N13-M16 WeakPolarHBondContact OD1-CG 3.39Å; N13-M16 PolarHBondContact OD1-N 3.2Å; A14-M16 PolarHBondContact O-N 3.23Å; M16-S19 WeakPolarHBondContact CA-OG 3.44Å; M16-S19 PolarHBondContact O-OG 3.1Å; M16-R20 PolarHBondContact O-N 2.97Å
17V98.4Very high97.1Very high27 Ų2775.4 Ų75.416%0.16435%0.354CS..Hα-helixtrans-65.1-52.9173.81770000110.3M12 N13 A14 F15 Y57 E60 A61 L64M12-V17 HydrophobicContact CB-CG2 3.78Å; M12-V17 HydrophobicContact CE-CG2 4.38Å; N13-V17 WeakPolarHBondContact O-CG2 3.48Å; N13-V17 PolarHBondContact O-N 3.06Å; A14-V17 PolarHBondContact O-N 2.91Å; F15-V17 VanDerWaalsContact C-N 3.35Å; V17-Y57 HydrophobicContact CG1-CD1 4.17Å; V17-E60 HydrophobicContact CG1-CB 4.28Å; V17-E60 HydrophobicContact CG1-CG 3.75Å; V17-E60 HydrophobicContact CG2-CG 4.47Å; V17-A61 HydrophobicContact CG2-CB 4.36Å; V17-L64 HydrophobicContact CG2-CD1 3.71Å
18W98.5Very high97.4Very high11 Ų1176.2 Ų76.24%0.04236%0.358CS..Hα-helixtrans-62.6-49.8179.8170.879.5000112.7A14 F15 R20 G21 Q22 L42 E45 W46 L49 Y57A14-W18 PolarHBondContact O-N 3.35Å; F15-W18 AromaticContact CD2-CE3 3.98Å; F15-W18 HydrophobicContact CD2-CE3 3.98Å; F15-W18 HydrophobicContact CD2-CZ3 4.13Å; F15-W18 HydrophobicContact CE2-CE3 4.08Å; F15-W18 AromaticContact CE2-CZ3 3.82Å; F15-W18 HydrophobicContact CE2-CZ3 3.82Å; F15-W18 PolarHBondContact O-N 3.33Å; W18-R20 PolarHBondContact O-N 2.9Å; W18-R20 VanDerWaalsContact O-N 3.13Å; W18-G21 PolarHBondContact O-N 3.27Å; W18-Q22 HydrophobicContact CD2-CG 4.03Å; W18-Q22 HydrophobicContact CG-CG 4.47Å; W18-Q22 HydrophobicContact CH2-CG 4.28Å; W18-Q22 HydrophobicContact CZ2-CB 4.46Å; W18-Q22 HydrophobicContact CZ2-CG 3.68Å; W18-Q22 PolarHBondContact O-N 3.16Å; W18-L42 HydrophobicContact CH2-CB 4.24Å; W18-L42 HydrophobicContact CH2-CD2 3.89Å; W18-L42 VanDerWaalsContact CH2-O 3.29Å; W18-L42 WeakPolarHBondContact CH2-O 3.33Å; W18-L42 HydrophobicContact CZ3-CB 3.97Å; W18-L42 HydrophobicContact CZ3-CD2 4.16Å; W18-L42 VanDerWaalsContact CZ3-O 3.22Å; W18-L42 WeakPolarHBondContact CZ3-O 3.45Å; W18-E45 HydrophobicContact CH2-CB 3.83Å; W18-E45 HydrophobicContact CZ2-CB 4.22Å; W18-W46 HydrophobicContact CB-CE3 4.09Å; W18-W46 HydrophobicContact CB-CZ3 3.65Å; W18-W46 AromaticContact CD2-CE3 3.52Å; W18-W46 HydrophobicContact CD2-CE3 3.52Å; W18-W46 AromaticContact CD2-CZ3 3.95Å; W18-W46 HydrophobicContact CD2-CZ3 3.95Å; W18-W46 HydrophobicContact CE3-CB 4.2Å; W18-W46 HydrophobicContact CE3-CD2 4.25Å; W18-W46 AromaticContact CE3-CE3 3.56Å; W18-W46 HydrophobicContact CE3-CE3 3.56Å; W18-W46 HydrophobicContact CE3-CZ3 4.31Å; W18-W46 AromaticContact CG-CE3 3.78Å; W18-W46 HydrophobicContact CG-CE3 3.78Å; W18-W46 AromaticContact CG-CZ3 3.66Å; W18-W46 HydrophobicContact CG-CZ3 3.66Å; W18-W46 HydrophobicContact CH2-CB 4.11Å; W18-W46 HydrophobicContact CZ3-CB 3.73Å; W18-W46 HydrophobicContact CZ3-CE3 4.21Å; W18-L49 HydrophobicContact CD2-CD1 4.45Å; W18-L49 HydrophobicContact CZ2-CD1 3.85Å; W18-Y57 HydrophobicContact CB-CD1 3.74Å; W18-Y57 HydrophobicContact CB-CD2 4.16Å; W18-Y57 HydrophobicContact CB-CE1 4.09Å; W18-Y57 HydrophobicContact CB-CG 3.77Å; W18-Y57 AromaticContact CD1-CD2 3.92Å; W18-Y57 AromaticContact CD1-CE1 3.9Å; W18-Y57 AromaticContact CD1-CE2 3.51Å; W18-Y57 AromaticContact CD1-CZ 3.49Å; W18-Y57 VanDerWaalsContact CD1-CZ 3.49Å; W18-Y57 HydrophobicContact CG-CD1 4.46Å; W18-Y57 HydrophobicContact CG-CD2 4.35Å; W18-Y57 HydrophobicContact CG-CE1 4.42Å; W18-Y57 HydrophobicContact CG-CE2 4.34Å; W18-Y57 HydrophobicContact CG-CG 4.42Å
19S98.2Very high97.6Very high1 Ų179 Ų791%0.00737%0.37CS..Hα-helixtrans-65.1-20.2-174.861.70000113.4F15 M16 R23F15-S19 WeakPolarHBondContact O-CB 3.39Å; F15-S19 PolarHBondContact O-N 2.85Å; F15-S19 PolarHBondContact O-OG 3.17Å; M16-S19 WeakPolarHBondContact CA-OG 3.44Å; M16-S19 PolarHBondContact O-OG 3.1Å; S19-R23 WeakPolarHBondContact O-CA 3.42Å; S19-R23 WeakPolarHBondContact O-CB 3.28Å; S19-R23 PolarHBondContact O-N 3.09Å
20R97.4Very high97.5Very high182 Ų18274.1 Ų74.169%0.68735%0.351SS*.Hα-helixtrans-61.6-46.5176.2-173.9-179.3-179-166.70.1111.8M16 W18 R24M16-R20 PolarHBondContact O-N 2.97Å; W18-R20 PolarHBondContact O-N 2.9Å; W18-R20 VanDerWaalsContact O-N 3.13Å; R20-R24 PolarHBondContact O-N 2.88Å
21G97.2Very high97.4Very high35 Ų3572.5 Ų72.536%0.36136%0.36SS..Hα-helixtrans-69.8-47.1178.100000111.7W18 R24 K25W18-G21 PolarHBondContact O-N 3.27Å; G21-R24 PolarHBondContact O-N 3.17Å; G21-K25 PolarHBondContact O-N 2.88Å; G21-K25 VanDerWaalsContact O-N 3.09Å
22Q97.8Very high97.2Very high52 Ų5280.6 Ų80.624%0.24339%0.39CS..Hα-helixtrans-66.2-41.2-178-60.1-55.9-27.900112.8W18 R24 K25 M26 L42W18-Q22 HydrophobicContact CD2-CG 4.03Å; W18-Q22 HydrophobicContact CG-CG 4.47Å; W18-Q22 HydrophobicContact CH2-CG 4.28Å; W18-Q22 HydrophobicContact CZ2-CB 4.46Å; W18-Q22 HydrophobicContact CZ2-CG 3.68Å; W18-Q22 PolarHBondContact O-N 3.16Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 3.47Å; Q22-K25 PolarHBondContact O-N 3.31Å; Q22-M26 WeakPolarHBondContact O-CG 3.36Å; Q22-M26 PolarHBondContact O-N 3.47Å; Q22-L42 HydrophobicContact CB-CD2 3.34Å; Q22-L42 HydrophobicContact CG-CD2 4.33Å
23R97.9Very high97Very high71 Ų7178.9 Ų78.927%0.26838%0.382SS..Hα-helixtrans-58.6-40174.3-179.6-178.5-76.91441.6111.7S19 A27 N35 I38 S39 L42S19-R23 WeakPolarHBondContact O-CA 3.42Å; S19-R23 WeakPolarHBondContact O-CB 3.28Å; S19-R23 PolarHBondContact O-N 3.09Å; R23-A27 WeakPolarHBondContact O-CB 3.41Å; R23-A27 PolarHBondContact O-N 3.16Å; R23-N35 WeakPolarHBondContact CD-ND2 2.99Å; R23-N35 PolarHBondContact NE-ND2 3.36Å; R23-I38 HydrophobicContact CB-CG2 4.38Å; R23-I38 HydrophobicContact CG-CG2 4.04Å; R23-S39 PolarHBondContact NH2-OG 3.1Å; R23-S39 VanDerWaalsContact NH2-OG 3.1Å; R23-L42 HydrophobicContact CB-CD1 3.79Å
24R97.4Very high96.9Very high174 Ų17480.8 Ų80.866%0.65739%0.388SS*.Hα-helixtrans-65.2-45177-176.6175.464.6-174.70.6111.2R20 G21 Q22 A27 Q28R20-R24 PolarHBondContact O-N 2.88Å; G21-R24 PolarHBondContact O-N 3.17Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 3.47Å; R24-A27 PolarHBondContact O-N 2.9Å; R24-Q28 WeakPolarHBondContact O-CG 3.37Å; R24-Q28 PolarHBondContact O-N 3.01Å; R24-Q28 VanDerWaalsContact O-N 3.14Å
25K97.5Very high96.8Very high110 Ų11083.6 Ų83.648%0.47840%0.4SS..Hα-helixtrans-59-53176.1-178-178.8173.2-174.80111.5G21 Q22 A27 Q28 E29G21-K25 PolarHBondContact O-N 2.88Å; G21-K25 VanDerWaalsContact O-N 3.09Å; Q22-K25 PolarHBondContact O-N 3.31Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 3.45Å; K25-Q28 PolarHBondContact O-N 3.3Å; K25-Q28 VanDerWaalsContact O-N 3.13Å; K25-E29 WeakPolarHBondContact CE-OE1 3.21Å; K25-E29 WeakPolarHBondContact CG-OE1 3.28Å; K25-E29 PolarHBondContact O-N 3.37Å; K25-E29 VanDerWaalsContact O-N 3.07Å
26M96.4Very high96.8Very high14 Ų1484.6 Ų84.67%0.06941%0.413CS..Hα-helixtrans-62.2-36.5179.6-68-17576.400113.3Q22 Q28 E29 N30 I38 R41 L42Q22-M26 WeakPolarHBondContact O-CG 3.36Å; Q22-M26 PolarHBondContact O-N 3.47Å; M26-Q28 VanDerWaalsContact C-N 3.32Å; M26-E29 PolarHBondContact O-N 3.2Å; M26-N30 WeakPolarHBondContact O-CB 3.37Å; M26-N30 PolarHBondContact O-N 3.15Å; M26-I38 HydrophobicContact CB-CG2 4.04Å; M26-I38 HydrophobicContact CE-CG2 4.45Å; M26-I38 HydrophobicContact SD-CG2 3.9Å; M26-R41 HydrophobicContact CE-CB 3.82Å; M26-R41 HydrophobicContact CE-CG 4.38Å; M26-L42 HydrophobicContact SD-CD2 3.45Å; M26-L42 WeakPolarHBondContact SD-CD2 3.48Å; M26-L42 HydrophobicContact SD-CG 3.75Å
27A96.6Very high96.7Very high42 Ų4283.4 Ų83.435%0.34741%0.406SS..Hα-helixtrans-69.1-30.2177.800000112.7R23 R24 K25 N30 P31 I38R23-A27 WeakPolarHBondContact O-CB 3.41Å; R23-A27 PolarHBondContact O-N 3.16Å; R24-A27 PolarHBondContact O-N 2.9Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 3.45Å; A27-N30 CarbonylContact O-C 3.57Å; A27-P31 WeakPolarHBondContact O-CA 2.96Å; A27-I38 HydrophobicContact CB-CD1 4.16Å
28Q96.8Very high96.7Very high145 Ų14582.3 Ų82.368%0.67840%0.4SS*.Hα-helixtrans-74.4-42.1174.4-72.5171.9-15.700111.5R24 K25 M26 N30R24-Q28 WeakPolarHBondContact O-CG 3.37Å; R24-Q28 PolarHBondContact O-N 3.01Å; R24-Q28 VanDerWaalsContact O-N 3.14Å; K25-Q28 PolarHBondContact O-N 3.3Å; K25-Q28 VanDerWaalsContact O-N 3.13Å; M26-Q28 VanDerWaalsContact C-N 3.32Å; Q28-N30 VanDerWaalsContact C-N 3.34Å
29E96.4Very high96.6Very high117 Ų11783.4 Ų83.455%0.54741%0.409SS..Hα-helixtrans-69.4-32.4177.1-67.7169.7-177.300112.3K25 M26K25-E29 WeakPolarHBondContact CE-OE1 3.21Å; K25-E29 WeakPolarHBondContact CG-OE1 3.28Å; K25-E29 PolarHBondContact O-N 3.37Å; K25-E29 VanDerWaalsContact O-N 3.07Å; M26-E29 PolarHBondContact O-N 3.2Å
30N93.7Very high96.6Very high64 Ų6489.8 Ų89.834%0.34244%0.437SS..  trans-131.172.7-176.6-62.4-94.3000111.3M26 A27 Q28 K32 M33M26-N30 WeakPolarHBondContact O-CB 3.37Å; M26-N30 PolarHBondContact O-N 3.15Å; A27-N30 CarbonylContact O-C 3.57Å; Q28-N30 VanDerWaalsContact C-N 3.34Å; N30-K32 PolarHBondContact O-N 3.09Å; N30-K32 VanDerWaalsContact O-N 3.1Å; N30-M33 HydrophobicContact CB-CB 3.75Å; N30-M33 HydrophobicContact CB-CE 3.84Å; N30-M33 WeakPolarHBondContact O-CB 3.21Å; N30-M33 PolarHBondContact O-N 3.16Å
31P94.4Very high96.6Very high111 Ų11186.5 Ų86.572%0.72142%0.424SS*.THydrogen-bonded Turntrans-64.5-19.8-174.825-34.7000114A27A27-P31 WeakPolarHBondContact O-CA 2.96Å
32K95.4Very high96.7Very high213 Ų21384.9 Ų84.993%0.92641%0.407SS*.THydrogen-bonded Turntrans-87.1-10.4176.3-62.3-175.8-179.91790113.4N30N30-K32 PolarHBondContact O-N 3.09Å; N30-K32 VanDerWaalsContact O-N 3.1Å
33M94.1Very high96.7Very high36 Ų3683.4 Ų83.418%0.17741%0.406CS..SBendtrans-78.2128.3-175.4-170.3-179.4-64.100111.2N30 E37 I38 R41N30-M33 HydrophobicContact CB-CB 3.75Å; N30-M33 HydrophobicContact CB-CE 3.84Å; N30-M33 WeakPolarHBondContact O-CB 3.21Å; N30-M33 PolarHBondContact O-N 3.16Å; M33-E37 HydrophobicContact CG-CB 4Å; M33-E37 HydrophobicContact CG-CG 4.1Å; M33-E37 HydrophobicContact SD-CB 4.45Å; M33-E37 HydrophobicContact SD-CG 4.18Å; M33-I38 HydrophobicContact CB-CD1 4.48Å; M33-I38 HydrophobicContact CB-CG1 4.25Å; M33-I38 HydrophobicContact CG-CG1 3.83Å; M33-I38 HydrophobicContact SD-CG1 3.65Å; M33-R41 VanDerWaalsContact CE-CZ 3.42Å
34H96.2Very high96.7Very high134 Ų13482.6 Ų82.662%0.6241%0.414SS*.  trans-69.5144.6179.7-168.559.4000112S36 E37 I38H34-S36 PolarHBondContact CD2-OG 3.2Å; H34-S36 PolarHBondContact NE2-OG 3.13Å; H34-S36 PolarHBondContact O-N 3.31Å; H34-S36 VanDerWaalsContact O-N 3.16Å; H34-E37 WeakPolarHBondContact O-CA 3.4Å; H34-E37 WeakPolarHBondContact O-CB 3.45Å; H34-E37 PolarHBondContact O-N 2.95Å; H34-I38 PolarHBondContact O-N 3.02Å; H34-I38 VanDerWaalsContact O-N 3.09Å
35N96.2Very high96.8Very high75 Ų7578.1 Ų78.140%0.40140%0.401SS..Hα-helixtrans-60.2-31.1-175.3-167-95.3000113.8R23 E37 I38 S39R23-N35 WeakPolarHBondContact CD-ND2 2.99Å; R23-N35 PolarHBondContact NE-ND2 3.36Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.14Å; N35-I38 PolarHBondContact O-N 2.97Å; N35-S39 WeakPolarHBondContact O-CB 3.22Å; N35-S39 PolarHBondContact O-N 3.33Å; N35-S39 PolarHBondContact O-OG 2.82Å
36S97.1Very high96.8Very high69 Ų6975 Ų7548%0.48339%0.386SS..Hα-helixtrans-61.5-39.2173.3-53.70000111.6H34 S39 K40H34-S36 PolarHBondContact CD2-OG 3.2Å; H34-S36 PolarHBondContact NE2-OG 3.13Å; H34-S36 PolarHBondContact O-N 3.31Å; H34-S36 VanDerWaalsContact O-N 3.16Å; S36-S39 PolarHBondContact O-N 3.49Å; S36-K40 WeakPolarHBondContact O-CG 3.5Å; S36-K40 PolarHBondContact O-N 3.35Å; S36-K40 VanDerWaalsContact O-N 3.16Å
37E97.7Very high96.9Very high68 Ų6882.3 Ų82.332%0.31842%0.418SS..Hα-helixtrans-72.5-43.4178.3-169.754.7-146.700111.4M33 H34 N35 S39 K40 R41M33-E37 HydrophobicContact CG-CB 4Å; M33-E37 HydrophobicContact CG-CG 4.1Å; M33-E37 HydrophobicContact SD-CB 4.45Å; M33-E37 HydrophobicContact SD-CG 4.18Å; H34-E37 WeakPolarHBondContact O-CA 3.4Å; H34-E37 WeakPolarHBondContact O-CB 3.45Å; H34-E37 PolarHBondContact O-N 2.95Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.14Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.07Å; E37-K40 PolarHBondContact O-N 3.14Å; E37-K40 VanDerWaalsContact O-N 3.15Å; E37-K40 IonicContact OE2-NZ 2.85Å; E37-K40 PolarHBondContact OE2-NZ 3.07Å; E37-R41 PolarHBondContact O-N 3.13Å; E37-R41 IonicContact OE1-NE 3.74Å
38I97.8Very high96.9Very high4 Ų487.5 Ų87.52%0.02144%0.439CS..Hα-helixtrans-54.4-46.4171.8-62.2174.3000110.1R23 M26 A27 M33 H34 N35 K40 R41 L42R23-I38 HydrophobicContact CB-CG2 4.38Å; R23-I38 HydrophobicContact CG-CG2 4.04Å; M26-I38 HydrophobicContact CB-CG2 4.04Å; M26-I38 HydrophobicContact CE-CG2 4.45Å; M26-I38 HydrophobicContact SD-CG2 3.9Å; A27-I38 HydrophobicContact CB-CD1 4.16Å; M33-I38 HydrophobicContact CB-CD1 4.48Å; M33-I38 HydrophobicContact CB-CG1 4.25Å; M33-I38 HydrophobicContact CG-CG1 3.83Å; M33-I38 HydrophobicContact SD-CG1 3.65Å; H34-I38 PolarHBondContact O-N 3.02Å; H34-I38 VanDerWaalsContact O-N 3.09Å; N35-I38 PolarHBondContact O-N 2.97Å; I38-K40 VanDerWaalsContact C-N 3.33Å; I38-K40 PolarHBondContact O-N 3.47Å; I38-R41 PolarHBondContact O-N 3Å; I38-L42 HydrophobicContact CG2-CD1 3.82Å; I38-L42 HydrophobicContact CG2-CG 4.22Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.41Å; I38-L42 PolarHBondContact O-N 3.43Å
39S97.4Very high97Very high34 Ų3482.2 Ų82.224%0.23842%0.415CS..Hα-helixtrans-66.4-31.1-178.1-61.30000113.3R23 N35 S36 E37 G43R23-S39 PolarHBondContact NH2-OG 3.1Å; R23-S39 VanDerWaalsContact NH2-OG 3.1Å; N35-S39 WeakPolarHBondContact O-CB 3.22Å; N35-S39 PolarHBondContact O-N 3.33Å; N35-S39 PolarHBondContact O-OG 2.82Å; S36-S39 PolarHBondContact O-N 3.49Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.07Å; S39-G43 PolarHBondContact O-N 2.89Å; S39-G43 VanDerWaalsContact O-N 3.09Å
40K98.1Very high97.1Very high135 Ų13579.2 Ų79.259%0.58741%0.407SS*.Hα-helixtrans-65.1-48.4173-70.3177.3-157.3159.50111.5S36 E37 I38 G43 A44S36-K40 WeakPolarHBondContact O-CG 3.5Å; S36-K40 PolarHBondContact O-N 3.35Å; S36-K40 VanDerWaalsContact O-N 3.16Å; E37-K40 PolarHBondContact O-N 3.14Å; E37-K40 VanDerWaalsContact O-N 3.15Å; E37-K40 IonicContact OE2-NZ 2.85Å; E37-K40 PolarHBondContact OE2-NZ 3.07Å; I38-K40 VanDerWaalsContact C-N 3.33Å; I38-K40 PolarHBondContact O-N 3.47Å; K40-G43 PolarHBondContact O-N 2.92Å; K40-A44 PolarHBondContact O-N 3.45Å; K40-A44 VanDerWaalsContact O-N 3.13Å
41R97.6Very high97.2Very high114 Ų11481.5 Ų81.543%0.4342%0.416SS..Hα-helixtrans-62.3-46.3-180-65.8-176.4-173.6-158.64.1111.8M26 M33 E37 I38 G43 A44 E45M26-R41 HydrophobicContact CE-CB 3.82Å; M26-R41 HydrophobicContact CE-CG 4.38Å; M33-R41 VanDerWaalsContact CE-CZ 3.42Å; E37-R41 PolarHBondContact O-N 3.13Å; E37-R41 IonicContact OE1-NE 3.74Å; I38-R41 PolarHBondContact O-N 3Å; R41-G43 VanDerWaalsContact C-N 3.28Å; R41-G43 PolarHBondContact O-N 3.2Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.37Å; R41-E45 PolarHBondContact O-N 3.27Å
42L98.1Very high97.4Very high0 Ų079.6 Ų79.60%041%0.41CS..Hα-helixtrans-58.5-39174.1-68.3178.5000112.6W18 Q22 R23 M26 I38 A44 W46W18-L42 HydrophobicContact CH2-CB 4.24Å; W18-L42 HydrophobicContact CH2-CD2 3.89Å; W18-L42 VanDerWaalsContact CH2-O 3.29Å; W18-L42 WeakPolarHBondContact CH2-O 3.33Å; W18-L42 HydrophobicContact CZ3-CB 3.97Å; W18-L42 HydrophobicContact CZ3-CD2 4.16Å; W18-L42 VanDerWaalsContact CZ3-O 3.22Å; W18-L42 WeakPolarHBondContact CZ3-O 3.45Å; Q22-L42 HydrophobicContact CB-CD2 3.34Å; Q22-L42 HydrophobicContact CG-CD2 4.33Å; R23-L42 HydrophobicContact CB-CD1 3.79Å; M26-L42 HydrophobicContact SD-CD2 3.45Å; M26-L42 WeakPolarHBondContact SD-CD2 3.48Å; M26-L42 HydrophobicContact SD-CG 3.75Å; I38-L42 HydrophobicContact CG2-CD1 3.82Å; I38-L42 HydrophobicContact CG2-CG 4.22Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.41Å; I38-L42 PolarHBondContact O-N 3.43Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.08Å; L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 2.99Å
43G98.3Very high97.5Very high22 Ų2274.2 Ų74.223%0.22739%0.387CS..Hα-helixtrans-64.1-33.2175.500000113.3S39 K40 R41 K47S39-G43 PolarHBondContact O-N 2.89Å; S39-G43 VanDerWaalsContact O-N 3.09Å; K40-G43 PolarHBondContact O-N 2.92Å; R41-G43 VanDerWaalsContact C-N 3.28Å; R41-G43 PolarHBondContact O-N 3.2Å; G43-K47 WeakPolarHBondContact O-CG 3.13Å
44A98.2Very high97.7Very high53 Ų5373.8 Ų73.844%0.43839%0.385SS..Hα-helixtrans-73.1-49.4174.800000111.4K40 R41 L42 W46 K47 L48K40-A44 PolarHBondContact O-N 3.45Å; K40-A44 VanDerWaalsContact O-N 3.13Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.37Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.08Å; A44-W46 VanDerWaalsContact C-N 3.33Å; A44-W46 PolarHBondContact O-N 3.39Å; A44-K47 WeakPolarHBondContact O-CB 3.28Å; A44-K47 PolarHBondContact O-N 3.1Å; A44-L48 PolarHBondContact O-N 3.47Å
45E98Very high97.8Very high80 Ų8075 Ų7537%0.37438%0.384SS..Hα-helixtrans-57.5-43.5176.6-74.1173.7-148.900112.1W18 R41 K47 L48 L49W18-E45 HydrophobicContact CH2-CB 3.83Å; W18-E45 HydrophobicContact CZ2-CB 4.22Å; R41-E45 PolarHBondContact O-N 3.27Å; E45-K47 PolarHBondContact O-N 3.37Å; E45-L48 WeakPolarHBondContact O-CB 3.47Å; E45-L48 PolarHBondContact O-N 2.77Å; E45-L49 PolarHBondContact O-N 3Å; E45-L49 VanDerWaalsContact O-N 3.08Å
46W98.4Very high97.9Very high44 Ų4475 Ų7517%0.16739%0.388CS..Hα-helixtrans-58.2-34.6176.8179.6-105.1000112.9A14 F15 W18 L42 A44 L48 L49 K54 Y57A14-W46 HydrophobicContact CB-CH2 4.04Å; A14-W46 HydrophobicContact CB-CZ2 4.03Å; F15-W46 HydrophobicContact CB-CD2 4.46Å; F15-W46 HydrophobicContact CD2-CB 3.81Å; F15-W46 AromaticContact CD2-CD1 3.92Å; F15-W46 AromaticContact CD2-CD2 3.95Å; F15-W46 HydrophobicContact CD2-CD2 3.95Å; F15-W46 AromaticContact CD2-CG 3.59Å; F15-W46 HydrophobicContact CD2-CG 3.59Å; F15-W46 HydrophobicContact CE2-CB 3.97Å; F15-W46 HydrophobicContact CE2-CG 4.25Å; W18-W46 HydrophobicContact CB-CE3 4.09Å; W18-W46 HydrophobicContact CB-CZ3 3.65Å; W18-W46 AromaticContact CD2-CE3 3.52Å; W18-W46 HydrophobicContact CD2-CE3 3.52Å; W18-W46 AromaticContact CD2-CZ3 3.95Å; W18-W46 HydrophobicContact CD2-CZ3 3.95Å; W18-W46 HydrophobicContact CE3-CB 4.2Å; W18-W46 HydrophobicContact CE3-CD2 4.25Å; W18-W46 AromaticContact CE3-CE3 3.56Å; W18-W46 HydrophobicContact CE3-CE3 3.56Å; W18-W46 HydrophobicContact CE3-CZ3 4.31Å; W18-W46 AromaticContact CG-CE3 3.78Å; W18-W46 HydrophobicContact CG-CE3 3.78Å; W18-W46 AromaticContact CG-CZ3 3.66Å; W18-W46 HydrophobicContact CG-CZ3 3.66Å; W18-W46 HydrophobicContact CH2-CB 4.11Å; W18-W46 HydrophobicContact CZ3-CB 3.73Å; W18-W46 HydrophobicContact CZ3-CE3 4.21Å; L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 2.99Å; A44-W46 VanDerWaalsContact C-N 3.33Å; A44-W46 PolarHBondContact O-N 3.39Å; W46-L48 VanDerWaalsContact C-N 3.34Å; W46-L49 HydrophobicContact CE3-CD1 3.86Å; W46-L49 HydrophobicContact CZ3-CD1 4.24Å; W46-K54 HydrophobicContact CE3-CG 4.45Å; W46-K54 HydrophobicContact CH2-CB 3.98Å; W46-K54 HydrophobicContact CH2-CD 4.39Å; W46-K54 HydrophobicContact CH2-CG 3.67Å; W46-K54 HydrophobicContact CZ2-CB 4.38Å; W46-K54 HydrophobicContact CZ2-CD 4.12Å; W46-K54 HydrophobicContact CZ2-CG 3.91Å; W46-K54 HydrophobicContact CZ3-CG 3.96Å; W46-K54 WeakPolarHBondContact O-CE 3.36Å; W46-K54 PolarHBondContact O-NZ 2.99Å; W46-Y57 HydrophobicContact CZ3-CD2 4.28Å
47K98Very high98Very high169 Ų16975.3 Ų75.374%0.73538%0.379SS*.Hα-helixtrans-71.5-32.3177.2-70.5175-179.4-176.40111.9G43 A44 E45G43-K47 WeakPolarHBondContact O-CG 3.13Å; A44-K47 WeakPolarHBondContact O-CB 3.28Å; A44-K47 PolarHBondContact O-N 3.1Å; E45-K47 PolarHBondContact O-N 3.37Å
48L98.1Very high98Very high150 Ų15074 Ų7479%0.78537%0.374SS*.Hα-helixtrans-76.3-28.8-179.9-65173000113.4A44 E45 W46 S50A44-L48 PolarHBondContact O-N 3.47Å; E45-L48 WeakPolarHBondContact O-CB 3.47Å; E45-L48 PolarHBondContact O-N 2.77Å; W46-L48 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 3.42Å
49L97.5Very high98.1Very high35 Ų3577.7 Ų77.718%0.18339%0.394CS..SBendtrans-58.3136.6176.9-68.2174.6000111.6W18 E45 W46 E53 K54W18-L49 HydrophobicContact CD2-CD1 4.45Å; W18-L49 HydrophobicContact CZ2-CD1 3.85Å; E45-L49 PolarHBondContact O-N 3Å; E45-L49 VanDerWaalsContact O-N 3.08Å; W46-L49 HydrophobicContact CE3-CD1 3.86Å; W46-L49 HydrophobicContact CZ3-CD1 4.24Å; L49-E53 HydrophobicContact CB-CB 4.31Å; L49-E53 HydrophobicContact CD2-CB 4.22Å; L49-K54 HydrophobicContact CB-CG 4.12Å; L49-K54 VanDerWaalsContact O-CE 3.27Å; L49-K54 WeakPolarHBondContact O-CE 3.09Å; L49-K54 PolarHBondContact O-NZ 3.27Å
50S98.2Very high98.1Very high54 Ų5479 Ų7938%0.37840%0.396SS..  trans-65.6159.8173.167.10000111.5L48 A52 E53 K54L48-S50 PolarHBondContact O-N 3.42Å; S50-A52 PolarHBondContact O-N 3.22Å; S50-E53 WeakPolarHBondContact CB-OE2 3.27Å; S50-E53 PolarHBondContact N-OE2 3.43Å; S50-E53 PolarHBondContact O-N 3.33Å; S50-E53 VanDerWaalsContact O-N 3.16Å; S50-E53 VanDerWaalsContact OG-CG 3.3Å; S50-E53 WeakPolarHBondContact OG-CG 2.83Å; S50-E53 PolarHBondContact OG-N 3.09Å; S50-E53 PolarHBondContact OG-OE2 3.13Å; S50-K54 WeakPolarHBondContact O-CG 3.05Å; S50-K54 PolarHBondContact O-N 3.45Å
51E97.4Very high98.1Very high111 Ų11173.1 Ų73.152%0.51937%0.373SS..Hα-helixtrans-61.2-33.6176-169.158.9-154.100111.6E53 K54 R55 I58E51-E53 PolarHBondContact O-N 3.19Å; E51-K54 PolarHBondContact O-N 2.72Å; E51-R55 WeakPolarHBondContact O-CG 3.35Å; E51-R55 PolarHBondContact O-N 3.41Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.3Å
52A98.2Very high98.2Very high72 Ų7273.7 Ų73.760%0.59538%0.378SS*.Hα-helixtrans-62-40.9175.500000112.3S50 K54S50-A52 PolarHBondContact O-N 3.22Å; A52-K54 VanDerWaalsContact C-N 3.35Å
53E98Very high98.2Very high99 Ų9979.3 Ų79.346%0.46340%0.399SS..Hα-helixtrans-72.2-29.7175.9-68.5165.911100112.5L49 S50 E51 P56 Y57L49-E53 HydrophobicContact CB-CB 4.31Å; L49-E53 HydrophobicContact CD2-CB 4.22Å; S50-E53 WeakPolarHBondContact CB-OE2 3.27Å; S50-E53 PolarHBondContact N-OE2 3.43Å; S50-E53 PolarHBondContact O-N 3.33Å; S50-E53 VanDerWaalsContact O-N 3.16Å; S50-E53 VanDerWaalsContact OG-CG 3.3Å; S50-E53 WeakPolarHBondContact OG-CG 2.83Å; S50-E53 PolarHBondContact OG-N 3.09Å; S50-E53 PolarHBondContact OG-OE2 3.13Å; E51-E53 PolarHBondContact O-N 3.19Å; E53-P56 WeakPolarHBondContact O-CD 3.14Å; E53-P56 WeakPolarHBondContact O-CG 3.15Å; E53-Y57 WeakPolarHBondContact O-CD2 3.49Å; E53-Y57 WeakPolarHBondContact O-CE2 3.46Å
54K98.4Very high98.2Very high28 Ų2879.9 Ų79.912%0.12240%0.397CS..Hα-helixtrans-75.5-31.4177.3-70.6169.3169.7146.20112.9W46 L49 S50 E51 A52 Y57 I58W46-K54 HydrophobicContact CE3-CG 4.45Å; W46-K54 HydrophobicContact CH2-CB 3.98Å; W46-K54 HydrophobicContact CH2-CD 4.39Å; W46-K54 HydrophobicContact CH2-CG 3.67Å; W46-K54 HydrophobicContact CZ2-CB 4.38Å; W46-K54 HydrophobicContact CZ2-CD 4.12Å; W46-K54 HydrophobicContact CZ2-CG 3.91Å; W46-K54 HydrophobicContact CZ3-CG 3.96Å; W46-K54 WeakPolarHBondContact O-CE 3.36Å; W46-K54 PolarHBondContact O-NZ 2.99Å; L49-K54 HydrophobicContact CB-CG 4.12Å; L49-K54 VanDerWaalsContact O-CE 3.27Å; L49-K54 WeakPolarHBondContact O-CE 3.09Å; L49-K54 PolarHBondContact O-NZ 3.27Å; S50-K54 WeakPolarHBondContact O-CG 3.05Å; S50-K54 PolarHBondContact O-N 3.45Å; E51-K54 PolarHBondContact O-N 2.72Å; A52-K54 VanDerWaalsContact C-N 3.35Å; K54-Y57 PolarHBondContact O-N 2.82Å; K54-I58 HydrophobicContact CB-CD1 3.8Å; K54-I58 HydrophobicContact CB-CG1 4.36Å; K54-I58 WeakPolarHBondContact O-CG1 3.34Å; K54-I58 PolarHBondContact O-N 3.43Å
55R98.2Very high98.2Very high160 Ų16085.5 Ų85.560%0.60441%0.407SS*.Hα-helixtrans-44.1-53.2-177.3-88.5-177.6177.5175.1-0.6115.2E51 Y57 I58 D59E51-R55 WeakPolarHBondContact O-CG 3.35Å; E51-R55 PolarHBondContact O-N 3.41Å; R55-Y57 PolarHBondContact O-N 3.29Å; R55-I58 PolarHBondContact O-N 2.84Å; R55-I58 VanDerWaalsContact O-N 3.07Å; R55-D59 PolarHBondContact O-N 3.04Å
56P98.3Very high98.2Very high75 Ų7584.8 Ų84.849%0.48741%0.414SS..Hα-helixtrans-58-36-179.921.1-33.9000112.9E53 E60E53-P56 WeakPolarHBondContact O-CD 3.14Å; E53-P56 WeakPolarHBondContact O-CG 3.15Å; P56-E60 VanDerWaalsContact O-CB 3.29Å; P56-E60 WeakPolarHBondContact O-CB 3.32Å; P56-E60 PolarHBondContact O-N 3.42Å
57Y98.5Very high98.2Very high74 Ų7486.1 Ų86.129%0.2942%0.423SS..Hα-helixtrans-78.5-30.8178.5-52.6-72.6000112.8V17 W18 W46 E53 K54 R55 A61V17-Y57 HydrophobicContact CG1-CD1 4.17Å; W18-Y57 HydrophobicContact CB-CD1 3.74Å; W18-Y57 HydrophobicContact CB-CD2 4.16Å; W18-Y57 HydrophobicContact CB-CE1 4.09Å; W18-Y57 HydrophobicContact CB-CG 3.77Å; W18-Y57 AromaticContact CD1-CD2 3.92Å; W18-Y57 AromaticContact CD1-CE1 3.9Å; W18-Y57 AromaticContact CD1-CE2 3.51Å; W18-Y57 AromaticContact CD1-CZ 3.49Å; W18-Y57 VanDerWaalsContact CD1-CZ 3.49Å; W18-Y57 HydrophobicContact CG-CD1 4.46Å; W18-Y57 HydrophobicContact CG-CD2 4.35Å; W18-Y57 HydrophobicContact CG-CE1 4.42Å; W18-Y57 HydrophobicContact CG-CE2 4.34Å; W18-Y57 HydrophobicContact CG-CG 4.42Å; W46-Y57 HydrophobicContact CZ3-CD2 4.28Å; E53-Y57 WeakPolarHBondContact O-CD2 3.49Å; E53-Y57 WeakPolarHBondContact O-CE2 3.46Å; K54-Y57 PolarHBondContact O-N 2.82Å; R55-Y57 PolarHBondContact O-N 3.29Å; Y57-A61 VanDerWaalsContact O-CB 3.27Å; Y57-A61 WeakPolarHBondContact O-CB 3.38Å; Y57-A61 PolarHBondContact O-N 2.83Å
58I98.3Very high98.2Very high40 Ų4078.9 Ų78.921%0.20539%0.391CS..Hα-helixtrans-66.6-46.9172.7-68.7169.3000110A14 E51 K54 R55 A61 K62A14-I58 HydrophobicContact CB-CB 4.47Å; A14-I58 HydrophobicContact CB-CG1 3.82Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.3Å; K54-I58 HydrophobicContact CB-CD1 3.8Å; K54-I58 HydrophobicContact CB-CG1 4.36Å; K54-I58 WeakPolarHBondContact O-CG1 3.34Å; K54-I58 PolarHBondContact O-N 3.43Å; R55-I58 PolarHBondContact O-N 2.84Å; R55-I58 VanDerWaalsContact O-N 3.07Å; I58-A61 PolarHBondContact O-N 2.98Å; I58-K62 WeakPolarHBondContact O-CG 3.44Å; I58-K62 PolarHBondContact O-N 2.79Å
59D98.5Very high98.2Very high82 Ų8275.8 Ų75.844%0.43937%0.374SS..Hα-helixtrans-69.5-38.2-179.5-66.3-26.7000111.5R55 A61 K62 R63R55-D59 PolarHBondContact O-N 3.04Å; D59-A61 PolarHBondContact O-N 2.74Å; D59-K62 WeakPolarHBondContact O-CB 3.37Å; D59-K62 PolarHBondContact O-N 2.7Å; D59-K62 IonicContact OD1-NZ 2.94Å; D59-K62 PolarHBondContact OD1-NZ 2.03Å; D59-R63 WeakPolarHBondContact O-CB 3.3Å; D59-R63 PolarHBondContact O-N 3.13Å
60E98.4Very high98.1Very high61 Ų6182.9 Ų82.929%0.28540%0.403SS..Hα-helixtrans-62.7-41.5171.3178.956.9-165.300112V17 P56 K62 R63 L64V17-E60 HydrophobicContact CG1-CB 4.28Å; V17-E60 HydrophobicContact CG1-CG 3.75Å; V17-E60 HydrophobicContact CG2-CG 4.47Å; P56-E60 VanDerWaalsContact O-CB 3.29Å; P56-E60 WeakPolarHBondContact O-CB 3.32Å; P56-E60 PolarHBondContact O-N 3.42Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.05Å; E60-R63 WeakPolarHBondContact O-CB 3.4Å; E60-R63 PolarHBondContact O-N 2.88Å; E60-R63 IonicContact OE1-CZ 3.48Å; E60-R63 IonicContact OE1-NE 3.4Å; E60-R63 PolarHBondContact OE1-NE 3.08Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 2.89Å; E60-R63 IonicContact OE2-CZ 3.64Å; E60-R63 IonicContact OE2-NE 2.77Å; E60-R63 PolarHBondContact OE2-NE 3.2Å; E60-R63 IonicContact OE2-NH2 3.65Å; E60-L64 HydrophobicContact CG-CD1 4.23Å; E60-L64 WeakPolarHBondContact O-CB 3.43Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 3.5Å
61A98.6Very high98.1Very high12 Ų1285.4 Ų85.410%0.09941%0.409CS..Hα-helixtrans-64-37174.900000112.6A14 V17 Y57 I58 D59 R65A14-A61 HydrophobicContact CB-CB 4.19Å; A14-A61 VanDerWaalsContact N-CB 3.31Å; V17-A61 HydrophobicContact CG2-CB 4.36Å; Y57-A61 VanDerWaalsContact O-CB 3.27Å; Y57-A61 WeakPolarHBondContact O-CB 3.38Å; Y57-A61 PolarHBondContact O-N 2.83Å; I58-A61 PolarHBondContact O-N 2.98Å; D59-A61 PolarHBondContact O-N 2.74Å; A61-R65 WeakPolarHBondContact O-CB 3.1Å; A61-R65 PolarHBondContact O-N 3.06Å
62K98.5Very high98Very high126 Ų12683.1 Ų83.155%0.54840%0.398SS..Hα-helixtrans-63.8-44.8172-70172.8-167.8156.10111I58 D59 E60 R65 A66I58-K62 WeakPolarHBondContact O-CG 3.44Å; I58-K62 PolarHBondContact O-N 2.79Å; D59-K62 WeakPolarHBondContact O-CB 3.37Å; D59-K62 PolarHBondContact O-N 2.7Å; D59-K62 IonicContact OD1-NZ 2.94Å; D59-K62 PolarHBondContact OD1-NZ 2.03Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.05Å; K62-R65 WeakPolarHBondContact O-CB 3.36Å; K62-R65 PolarHBondContact O-N 3.36Å; K62-A66 PolarHBondContact O-N 3.4Å
63R98.6Very high97.9Very high118 Ų11884.7 Ų84.745%0.44540%0.403SS..Hα-helixtrans-59.2-49.2177.2-168.1-164.369.972.24.3111.2D59 E60 R65 A66 Q67D59-R63 WeakPolarHBondContact O-CB 3.3Å; D59-R63 PolarHBondContact O-N 3.13Å; E60-R63 WeakPolarHBondContact O-CB 3.4Å; E60-R63 PolarHBondContact O-N 2.88Å; E60-R63 IonicContact OE1-CZ 3.48Å; E60-R63 IonicContact OE1-NE 3.4Å; E60-R63 PolarHBondContact OE1-NE 3.08Å; E60-R63 IonicContact OE1-NH2 2.72Å; E60-R63 PolarHBondContact OE1-NH2 2.89Å; E60-R63 IonicContact OE2-CZ 3.64Å; E60-R63 IonicContact OE2-NE 2.77Å; E60-R63 PolarHBondContact OE2-NE 3.2Å; E60-R63 IonicContact OE2-NH2 3.65Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.03Å; R63-A66 PolarHBondContact O-N 3.21Å; R63-Q67 WeakPolarHBondContact O-CB 3.24Å; R63-Q67 PolarHBondContact O-N 3.07Å
64L98.4Very high97.8Very high34 Ų3487.5 Ų87.518%0.17842%0.421CS..Hα-helixtrans-60.2-39.6176.1-72.7171.8000112M12 V17 E60 H68M12-L64 HydrophobicContact CB-CD1 4.33Å; M12-L64 HydrophobicContact CE-CD1 3.98Å; V17-L64 HydrophobicContact CG2-CD1 3.71Å; E60-L64 HydrophobicContact CG-CD1 4.23Å; E60-L64 WeakPolarHBondContact O-CB 3.43Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 3.5Å; L64-H68 WeakPolarHBondContact O-CB 3.47Å; L64-H68 PolarHBondContact O-N 2.74Å
65R98Very high97.7Very high172 Ų17288.6 Ų88.665%0.64943%0.425SS*.Hα-helixtrans-63.9-46.3175.1-172.7-178.2-176.4-147.6-0.1111.6P11 A61 K62 R63 H68 M69P11-R65 HydrophobicContact CG-CG 4.47Å; A61-R65 WeakPolarHBondContact O-CB 3.1Å; A61-R65 PolarHBondContact O-N 3.06Å; K62-R65 WeakPolarHBondContact O-CB 3.36Å; K62-R65 PolarHBondContact O-N 3.36Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.03Å; R65-H68 PolarHBondContact O-N 3.01Å; R65-M69 WeakPolarHBondContact O-CG 3.38Å; R65-M69 PolarHBondContact O-N 3.17Å
66A98Very high97.6Very high64 Ų6487.6 Ų87.653%0.52943%0.425SS..Hα-helixtrans-63.7-45.5178.700000111.8K62 R63 H68 M69 K70K62-A66 PolarHBondContact O-N 3.4Å; R63-A66 PolarHBondContact O-N 3.21Å; A66-H68 VanDerWaalsContact C-N 3.31Å; A66-H68 PolarHBondContact O-N 3.22Å; A66-M69 PolarHBondContact O-N 3.42Å; A66-K70 PolarHBondContact O-N 2.98Å
67Q98.1Very high97.5Very high73 Ų7389.6 Ų89.634%0.34142%0.423SS..Hα-helixtrans-57.1-45.7173.9-179.7177.4-13.500111.1R63 M69 K70 E71R63-Q67 WeakPolarHBondContact O-CB 3.24Å; R63-Q67 PolarHBondContact O-N 3.07Å; Q67-M69 PolarHBondContact O-N 3.27Å; Q67-K70 WeakPolarHBondContact O-CB 3.34Å; Q67-K70 PolarHBondContact O-N 3.03Å; Q67-K70 VanDerWaalsContact O-N 3.11Å; Q67-E71 HydrophobicContact CG-CG 4.34Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.29Å; Q67-E71 PolarHBondContact NE2-OE1 3.06Å; Q67-E71 WeakPolarHBondContact O-CG 3.45Å; Q67-E71 PolarHBondContact O-N 3.3Å
68H98.3Very high97.3Very high16 Ų1694.8 Ų94.87%0.07444%0.442CS..Hα-helixtrans-62-38.8178.6-169.675.9000113.4I8 K9 P11 L64 R65 A66 K70 H72 Y75I8-H68 WeakPolarHBondContact CG2-CE1 3.47Å; K9-H68 PolarHBondContact O-CE1 3.13Å; P11-H68 HydrophobicContact CB-CB 4.07Å; P11-H68 HydrophobicContact CG-CB 4.27Å; L64-H68 WeakPolarHBondContact O-CB 3.47Å; L64-H68 PolarHBondContact O-N 2.74Å; R65-H68 PolarHBondContact O-N 3.01Å; A66-H68 VanDerWaalsContact C-N 3.31Å; A66-H68 PolarHBondContact O-N 3.22Å; H68-K70 VanDerWaalsContact C-N 3.32Å; H68-H72 AromaticContact CE1-CD2 3.67Å; H68-H72 AromaticContact ND1-CD2 3.66Å; H68-H72 WeakPolarHBondContact O-CB 3.39Å; H68-H72 PolarHBondContact O-N 2.94Å; H68-Y75 AromaticContact CD2-CD1 3.94Å; H68-Y75 AromaticContact NE2-CD1 3.59Å; H68-Y75 AromaticContact NE2-CD2 3.65Å; H68-Y75 AromaticContact NE2-CE1 3.69Å; H68-Y75 AromaticContact NE2-CE2 3.77Å; H68-Y75 AromaticContact NE2-CG 3.55Å; H68-Y75 AromaticContact NE2-CZ 3.77Å
69M97Very high97.1Very high85 Ų8596.5 Ų96.542%0.41946%0.456SS..Hα-helixtrans-69.1-31.4174.9-61.4-63.181.600112.2R65 A66 Q67 H72 P73 Y75R65-M69 WeakPolarHBondContact O-CG 3.38Å; R65-M69 PolarHBondContact O-N 3.17Å; A66-M69 PolarHBondContact O-N 3.42Å; Q67-M69 PolarHBondContact O-N 3.27Å; M69-H72 CarbonylContact O-C 3.54Å; M69-P73 WeakPolarHBondContact O-CA 3.48Å; M69-Y75 HydrophobicContact CE-CD1 3.87Å
70K97.4Very high96.8Very high184 Ų184103.7 Ų103.780%0.848%0.477SS*.Hα-helixtrans-72-44.5176.3-176.4-179178.1-178.20112.1A66 Q67 H68A66-K70 PolarHBondContact O-N 2.98Å; Q67-K70 WeakPolarHBondContact O-CB 3.34Å; Q67-K70 PolarHBondContact O-N 3.03Å; Q67-K70 VanDerWaalsContact O-N 3.11Å; H68-K70 VanDerWaalsContact C-N 3.32Å
71E97.2Very high96.5Very high108 Ų108112.3 Ų112.351%0.50551%0.507SS..Hα-helixtrans-74.7-29.2-179.5-69.9171.2-18000112.5Q67Q67-E71 HydrophobicContact CG-CG 4.34Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.29Å; Q67-E71 PolarHBondContact NE2-OE1 3.06Å; Q67-E71 WeakPolarHBondContact O-CG 3.45Å; Q67-E71 PolarHBondContact O-N 3.3Å
72H96.2Very high96.1Very high63 Ų63120.8 Ų120.829%0.29254%0.541SS..  trans-133.174.2-178-53.7-59.1000111.2I8 H68 M69 D74 Y75I8-H72 HydrophobicContact CD1-CB 4.14Å; H68-H72 AromaticContact CE1-CD2 3.67Å; H68-H72 AromaticContact ND1-CD2 3.66Å; H68-H72 WeakPolarHBondContact O-CB 3.39Å; H68-H72 PolarHBondContact O-N 2.94Å; M69-H72 CarbonylContact O-C 3.54Å; H72-D74 VanDerWaalsContact C-N 3.26Å; H72-D74 PolarHBondContact O-N 2.98Å; H72-Y75 WeakPolarHBondContact O-CB 3.39Å; H72-Y75 PolarHBondContact O-N 3.21Å; H72-Y75 VanDerWaalsContact O-N 3.07Å
73P95.9Very high95.6Very high105 Ų105120.5 Ų120.568%0.68255%0.552SS**THydrogen-bonded Turntrans-61.5-32.7-178.423.4-33.4000113.1M69 Y75M69-P73 WeakPolarHBondContact O-CA 3.48Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 PolarHBondContact O-N 3.05Å
74D95.4Very high94.9Very high158 Ų158123.8 Ų123.885%0.84557%0.57SS**THydrogen-bonded Turntrans-86.96.4178-61.6-44.5000113.9H72 K76H72-D74 VanDerWaalsContact C-N 3.26Å; H72-D74 PolarHBondContact O-N 2.98Å; D74-K76 PolarHBondContact O-N 2.93Å
75Y96.6Very high94Very high51 Ų51128 Ų12820%0.259%0.593CS.*  trans-62.5122.4-178.9173.9-98.1000111.4I8 R10 H68 M69 H72 P73I8-Y75 HydrophobicContact CB-CD2 3.97Å; I8-Y75 HydrophobicContact CB-CE2 4.22Å; I8-Y75 HydrophobicContact CG2-CD2 3.48Å; I8-Y75 VanDerWaalsContact CG2-CD2 3.48Å; I8-Y75 HydrophobicContact CG2-CE2 3.8Å; I8-Y75 HydrophobicContact CG2-CG 4.41Å; R10-Y75 VanDerWaalsContact CG-OH 3.3Å; R10-Y75 WeakPolarHBondContact CG-OH 3.25Å; H68-Y75 AromaticContact CD2-CD1 3.94Å; H68-Y75 AromaticContact NE2-CD1 3.59Å; H68-Y75 AromaticContact NE2-CD2 3.65Å; H68-Y75 AromaticContact NE2-CE1 3.69Å; H68-Y75 AromaticContact NE2-CE2 3.77Å; H68-Y75 AromaticContact NE2-CG 3.55Å; H68-Y75 AromaticContact NE2-CZ 3.77Å; M69-Y75 HydrophobicContact CE-CD1 3.87Å; H72-Y75 WeakPolarHBondContact O-CB 3.39Å; H72-Y75 PolarHBondContact O-N 3.21Å; H72-Y75 VanDerWaalsContact O-N 3.07Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 PolarHBondContact O-N 3.05Å
76K95.3Very high92.6Very high139 Ų139126 Ų12660%0.60459%0.594SS**  trans-127.1123.8176.1-172.2164.6179170.10111.7D74 R78D74-K76 PolarHBondContact O-N 2.93Å; K76-R78 HydrophobicContact CG-CG 4.23Å; K76-R78 PolarHBondContact O-N 3.16Å; K76-R78 VanDerWaalsContact O-N 3.17Å
77Y96.2Very high91Very high116 Ų116130.4 Ų130.446%0.45561%0.608SS.*  trans-69.6111.7174.6174-136.1000111.2R10 P79R10-Y77 VanDerWaalsContact CZ-OH 3.31Å; R10-Y77 PolarHBondContact NH1-OH 3.47Å; R10-Y77 PolarHBondContact NH2-OH 3.29Å; Y77-P79 HydrophobicContact CD1-CG 4.43Å; Y77-P79 HydrophobicContact CE1-CB 4.46Å; Y77-P79 HydrophobicContact CE1-CG 3.76Å; Y77-P79 HydrophobicContact CE2-CB 3.75Å; Y77-P79 HydrophobicContact CE2-CG 3.72Å; Y77-P79 WeakPolarHBondContact O-CD 3.46Å; Y77-P79 WeakPolarHBondContact OH-CB 3.27Å
78R94.1Very high89.2Confident183 Ų183135.1 Ų135.169%0.69163%0.627SS**  trans-121.282.4179.6-64.8175.6-178.1-96.59.3110.5K76 R80K76-R78 HydrophobicContact CG-CG 4.23Å; K76-R78 PolarHBondContact O-N 3.16Å; K76-R78 VanDerWaalsContact O-N 3.17Å; R78-R80 PolarHBondContact O-N 3.3Å
79P94.3Very high87.3Confident77 Ų77142.5 Ų142.550%0.566%0.659SS.*  trans-59127.8177.411.1-15.7000111.3Y77 R81Y77-P79 HydrophobicContact CD1-CG 4.43Å; Y77-P79 HydrophobicContact CE1-CB 4.46Å; Y77-P79 HydrophobicContact CE1-CG 3.76Å; Y77-P79 HydrophobicContact CE2-CB 3.75Å; Y77-P79 HydrophobicContact CE2-CG 3.72Å; Y77-P79 WeakPolarHBondContact O-CD 3.46Å; Y77-P79 WeakPolarHBondContact OH-CB 3.27Å; P79-R81 PolarHBondContact O-N 2.8Å
80R92.8Very high85.3Confident233 Ų233145.3 Ų145.388%0.87968%0.676SS**  trans-79.1114.9175.9-65171.4-175.7-890.4108.7R78R78-R80 PolarHBondContact O-N 3.3Å
81R92.8Very high83.5Confident241 Ų241147.5 Ų147.591%0.90968%0.679SS**PPolyproline II helixtrans-78.8124.1169.7-67.6-173.3172.2128.6-1.8108.2P79P79-R81 PolarHBondContact O-N 2.8Å
82K89.2Confident81.5Confident190 Ų190152.4 Ų152.483%0.82670%0.695SS**PPolyproline II helixtrans-75.2138.6167-66.9-175.4178.2-176.50108K84K82-K84 PolarHBondContact O-N 3.37Å; K82-K84 VanDerWaalsContact O-N 3.16Å
83P88.7Confident79.6Confident120 Ų120155.2 Ų155.278%0.77972%0.716SS**PPolyproline II helixtrans-53.4123.3171.4-23.332.5000109.3N85P83-N85 PolarHBondContact O-N 2.83Å; P83-N85 VanDerWaalsContact O-N 3.17Å
84K83Confident77.8Confident188 Ų188158.5 Ų158.582%0.81772%0.72SS**  trans-74.2106.7172-168.7174-176.5-179.50105.7K82 L86K82-K84 PolarHBondContact O-N 3.37Å; K82-K84 VanDerWaalsContact O-N 3.16Å; K84-L86 VanDerWaalsContact C-N 3.28Å; K84-L86 PolarHBondContact O-N 3.41Å
85N79.4Confident76.3Confident123 Ų123156.3 Ų156.366%0.65871%0.714SS**  trans-61.795.2170.5-96-69.3000107.9P83 L87P83-N85 PolarHBondContact O-N 2.83Å; P83-N85 VanDerWaalsContact O-N 3.17Å; N85-L87 PolarHBondContact O-N 3.22Å
86L68.1Low74.7Confident128 Ų128161.1 Ų161.167%0.6774%0.743SS**G310 helixtrans-68.5-22.1179.8-169.558.3000111.2K84 K88 K89K84-L86 VanDerWaalsContact C-N 3.28Å; K84-L86 PolarHBondContact O-N 3.41Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.99Å; L86-K89 PolarHBondContact O-N 3.09Å
87L66Low73.3Confident157 Ų157160.1 Ų160.182%0.82275%0.75SS**G310 helixtrans-79.50.9-175.7-58.2177.4000115.4N85N85-L87 PolarHBondContact O-N 3.22Å
88K59.8Low71.2Confident172 Ų172163.6 Ų163.675%0.74876%0.764SS**G310 helixtrans-96.410.2172.1-75.3-173.3177.2-178.20113.4L86L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.99Å
89K57.4Low69.6Low171 Ų171162.7 Ų162.774%0.74377%0.772SS**THydrogen-bonded Turntrans-86.85.4-177-161.6158.4178.6-176.30115.2L86L86-K89 PolarHBondContact O-N 3.09Å
90D56.6Low67.1Low144 Ų144162 Ų16277%0.7778%0.778SS**THydrogen-bonded Turntrans-101.19.5172.5-72.2-41.8000115
91R58.4Low65.2Low230 Ų230157.5 Ų157.587%0.86877%0.772SS**SBendtrans-105.616.8176.2-79.4-100.8-86-149.9-7.3114.6
92Y55.2Low63.1Low212 Ų212151.9 Ų151.983%0.83176%0.764SS**  trans-118.264.1162.4-79.9-85000109.1F94Y92-F94 VanDerWaalsContact C-N 3.29Å; Y92-F94 PolarHBondContact O-N 3.19Å; Y92-F94 VanDerWaalsContact O-N 3.11Å
93V56.8Low61.2Low121 Ų121150.3 Ų150.373%0.73377%0.765SS**  trans-71.697.9156.2179.60000105P95V93-P95 VanDerWaalsContact O-CD 3.25Å; V93-P95 WeakPolarHBondContact O-CD 3.2Å
94F58.5Low59.1Low175 Ų175149.7 Ų149.777%0.76876%0.761SS**  trans-59.3118.1160.9-138.1-90.7000105.2Y92 L96Y92-F94 VanDerWaalsContact C-N 3.29Å; Y92-F94 PolarHBondContact O-N 3.19Å; Y92-F94 VanDerWaalsContact O-N 3.11Å; F94-L96 PolarHBondContact O-N 3.48Å
95P63.5Low57.5Low112 Ų112148.9 Ų148.973%0.72777%0.765SS**  trans-64.4102.3174.6-17.431.4000107.2V93 P97V93-P95 VanDerWaalsContact O-CD 3.25Å; V93-P95 WeakPolarHBondContact O-CD 3.2Å; P95-P97 WeakPolarHBondContact O-CD 3.22Å
96L62.9Low55.9Low152 Ų152152.9 Ų152.980%0.79678%0.776SS**  trans-72.3123.1162.4-109.6106.3000106.1F94 Y98F94-L96 PolarHBondContact O-N 3.48Å; L96-Y98 PolarHBondContact O-N 3.29Å; L96-Y98 VanDerWaalsContact O-N 3.11Å
97P65Low54.9Low118 Ų118151 Ų15177%0.76678%0.78SS**  trans-64.5114.6168.325.4-28.6000107.7P95 L99P95-P97 WeakPolarHBondContact O-CD 3.22Å; P97-L99 PolarHBondContact O-N 2.99Å; P97-L99 VanDerWaalsContact O-N 3.15Å
98Y53.5Low54Low189 Ų189148.8 Ų148.874%0.74178%0.784SS**  trans-61.8111.4169180-105.5000107.4L96 G100L96-Y98 PolarHBondContact O-N 3.29Å; L96-Y98 VanDerWaalsContact O-N 3.11Å; Y98-G100 PolarHBondContact O-N 3.23Å
99L60.6Low53.2Low163 Ų163144.2 Ų144.285%0.85379%0.785SS**PPolyproline II helixtrans-60.2120.9164.1-91.1162.2000107.1P97P97-L99 PolarHBondContact O-N 2.99Å; P97-L99 VanDerWaalsContact O-N 3.15Å
100G41Very low52.7Low62 Ų62144.2 Ų144.264%0.63979%0.793SS**PPolyproline II helixtrans-64.7132.3-178.100000111.9Y98Y98-G100 PolarHBondContact O-N 3.23Å
101D52.1Low52.4Low140 Ų140142.7 Ų142.775%0.74979%0.79SS**PPolyproline II helixtrans-75.5130.3157.1-110.1-46.8000108.7
102T49.7Very low51.8Low122 Ų122138.7 Ų138.775%0.74879%0.791SS**PPolyproline II helixtrans-82.4117.4176.648.40000109.6
103D48.2Very low51.2Low158 Ų158131.7 Ų131.785%0.84578%0.783SS**  trans-133.1112.1154.9-93.7-45.3000108.3
104P45Very low50.7Low106 Ų106130.9 Ų130.969%0.68879%0.789SS**  trans-83.1148.8173.233.6-29.2000109.4
105L49.7Very low50.2Low172 Ų172127.2 Ų127.290%0.90179%0.785SS**  trans104.575.9172.9-60.6154.5000115.8
106K46.2Very low49.3Very low206 Ų206129.4 Ų129.490%0.89679%0.791SS**  trans-168.8131.4133.5-123.7169.5176.5165.80113.3
107A46Very low48.5Very low90 Ų90125.3 Ų125.374%0.74479%0.786SS**  trans61.592.1151.700000116.2
108A47.9Very low47.8Very low110 Ų110127.1 Ų127.191%0.90979%0.788SS**  46.797.279.100000112.9
109G42.8Very low47.6Very low75 Ų75125.8 Ų125.877%0.77379%0.793SS**  trans177.877.2176.300000112.7
110L47.3Very low46.8Very low172 Ų172124 Ų12490%0.90179%0.794SS**  trans16.9154.2157.7-66.4167.4000123.8
111P49.4Very low47Very low111 Ų111125.2 Ų125.272%0.72180%0.798SS**  trans-113.1-177.3-158.436-17.8000114.5
112V45.9Very low47Very low147 Ų147124 Ų12489%0.89180%0.798SS**  trans135.8127.7144170.80000114.1
113G43.1Very low46.7Very low64 Ų64127.4 Ų127.466%0.6681%0.806SS**  trans132.590168.200000111.2
114A45.9Very low46.7Very low104 Ų104130 Ų13086%0.8681%0.809SS**  45.9125.776.400000112.2
115S48.8Very low46.6Very low98 Ų98130.1 Ų130.169%0.68582%0.819SS**  cis-165.7169.20.853.80000108.2
116D45.1Very low46.5Very low158 Ų158133.2 Ų133.285%0.84582%0.818SS**  trans76.5134154.3-57-54000121.9
117G45.3Very low46.6Very low67 Ų67127 Ų12769%0.69181%0.805SS**  trans135.666.7148.900000117.8
118L49.7Very low46.9Very low155 Ų155132 Ų13281%0.81281%0.811SS**  51.6115.3127.2-68.8156.7000121.3
119L50.8Low47.1Very low161 Ų161134.6 Ų134.684%0.84381%0.809SS**  76.4132.4129.5-56.5175.4000121.4
120S42.6Very low48.1Very low125 Ų125136.7 Ų136.787%0.87481%0.808SS**  trans95.793.4158.1-153.20000117.2
121A46Very low48.5Very low88 Ų88134.4 Ų134.473%0.72780%0.804SS**  trans-111.7-179.7157.700000108.2
122P51.5Low48.3Very low115 Ų115134.1 Ų134.175%0.74781%0.811SS**  -135.9158.1-65.537.5-23.2000111.1
123E43.7Very low48.8Very low194 Ų194132.8 Ų132.891%0.90781%0.808SS**  trans-165.280.2165.5-117.6175.4150.700113.8
124K47.4Very low49.1Very low213 Ų213134 Ų13493%0.92681%0.812SS**  trans-151.484.8160.3-64.9-167-177.4-179.50111.1
125A43.5Very low49.4Very low107 Ų107134 Ų13488%0.88480%0.804SS**  trans-159.2102.1160.800000111.3
126R47.5Very low49.4Very low237 Ų237140.1 Ų140.189%0.89481%0.813SS**  trans-138.695.2160.8-160.3173.3179.9117.8-1104.6
127A48.4Very low49.5Very low75 Ų75137.6 Ų137.662%0.6281%0.808SS**  55.7118.6100.100000110.4
128F51.5Low49.6Very low195 Ų195142.1 Ų142.186%0.85582%0.815SS**  -166.5139.653.7-91.4-97.9000109
129L52.1Low49.6Very low166 Ų166142.8 Ų142.887%0.86982%0.819SS**PPolyproline II helixtrans-94.1143.2160.1-70.2168.8000108.6
130P64Low49Very low118 Ų118141.6 Ų141.677%0.76681%0.813SS**PPolyproline II helixtrans-83.4147163.632.1-29.7000111.3
131P57.2Low49.2Very low125 Ų125141.1 Ų141.181%0.81281%0.807SS**PPolyproline II helixtrans-83.4157.1-168.733.9-35.2000114.1
132A44.9Very low49Very low105 Ų105140.3 Ų140.387%0.86880%0.801SS**PPolyproline II helixtrans-87.3139.9173.200000112.4
133S55.8Low48.9Very low118 Ų118144.1 Ų144.183%0.82581%0.808SS**  trans-172.6138.3159.5560000106.5
134A49.9Very low48.9Very low90 Ų90144.7 Ų144.774%0.74481%0.808SS**  cis-168.5168.5-6.100000105.4
135P51.3Low48.7Very low105 Ų105139.3 Ų139.368%0.68280%0.797SS**  trans-102.3146.7-160.336.5-29.1000113.9
136Y48.5Very low48.6Very low226 Ų226139.5 Ų139.589%0.88679%0.792SS**  trans-148.6114.2154.4-75.3-70.9000112.6
137S47.6Very low48.2Very low104 Ų104133.9 Ų133.973%0.72779%0.789SS**  trans54.8108.7132.3-55.40000122.5
138L47.6Very low47.9Very low163 Ų163135.4 Ų135.485%0.85380%0.802SS**  18.7120.2125.2-67.1169.8000118
139L50.8Low47.8Very low169 Ų169133.8 Ų133.889%0.88580%0.8SS**  -169115.4117-115.283000109.2
140D37Very low47.6Very low136 Ų136134.3 Ų134.373%0.72780%0.798SS**  trans-80.3144.7159.3-176.253.3000107.6A142D140-A142 PolarHBondContact OD1-N 3.44Å; D140-A142 VanDerWaalsContact OD1-N 3.17Å; D140-A142 PolarHBondContact OD2-N 2.86Å
141P46.6Very low46.9Very low115 Ų115137.8 Ų137.875%0.74780%0.801SS**  -141.4119.5110.316.35.6000113.7Q143P141-Q143 PolarHBondContact O-N 2.94Å
142A42.9Very low46Very low71 Ų71140.8 Ų140.859%0.58781%0.807SS**  trans-47.5123.8147.400000110.8D140D140-A142 PolarHBondContact OD1-N 3.44Å; D140-A142 VanDerWaalsContact OD1-N 3.17Å; D140-A142 PolarHBondContact OD2-N 2.86Å
143Q48.1Very low46Very low194 Ų194139.1 Ų139.191%0.90780%0.8SS**  trans169.7105.5147.9-96.5164.225.400108.6P141P141-Q143 PolarHBondContact O-N 2.94Å
144F45.1Very low45.3Very low207 Ų207143 Ų14391%0.90881%0.805SS**  175.2122.4116.6-157.4-106.3000109.5
145S41.7Very low45.5Very low100 Ų100144.9 Ų144.970%0.69981%0.807SS**  trans-85.4149.5-175.5-62.60000112.5
146S42Very low45.4Very low111 Ų111144 Ų14478%0.77680%0.801SS**  trans4.6132.5152.2-57.60000120
147S39.6Very low45.2Very low119 Ų119141.3 Ų141.383%0.83280%0.796SS**  142.5117.8112.4-60.40000111.6
148A42.3Very low45.2Very low106 Ų106143.5 Ų143.588%0.87681%0.805SS**  trans-172113.9140.500000110.9
149I49.2Very low45Very low161 Ų161144 Ų14483%0.82681%0.808SS**  trans-76.7145.1165.8-72.6166000109
150Q47.8Very low44.8Very low177 Ų177140.2 Ų140.283%0.82780%0.801SS**  trans161146.2147.2-93.4161.611.800108
151K48.4Very low45.1Very low192 Ų192139.5 Ų139.584%0.83580%0.802SS**  cis-167.3140.5-9.3-141.4178.7-178.3178.40103.9
152M39.2Very low45Very low187 Ų187139.1 Ų139.192%0.92180%0.802SS**  trans-68.6145.5173.753.1-129.5-94.600112.8
153G44.8Very low45.1Very low70 Ų70140.6 Ų140.672%0.72281%0.814SS**  trans-167.1102.5173.900000112.7
154E41.4Very low45.1Very low199 Ų199139.3 Ų139.393%0.9381%0.813SS**  trans62.9139.3148.8-78.2166.5136.200124.1
155V54.2Low45.4Very low131 Ų131135.2 Ų135.279%0.79481%0.807SS**  trans-109.3-172.6-179.9-113.60000107.2
156P49Very low45.2Very low85 Ų85140.3 Ų140.355%0.55281%0.812SS**  cis-143.8-176.4-24.328-3.3000115.4
157H44.3Very low45.4Very low171 Ų171139.6 Ų139.679%0.79281%0.813SS**  trans77.9119.6151.3-53.8-48.6000121.3
158T46.5Very low45.3Very low149 Ų149138.6 Ų138.691%0.91481%0.806SS**  -159.4153.9119.241.20000110.8
159L43.4Very low45.8Very low173 Ų173140.5 Ų140.591%0.90681%0.807SS**  trans-87.5172.6-163.2-67.7153.9000114.1
160A46.5Very low45.7Very low91 Ų91141.5 Ų141.575%0.75281%0.813SS**  trans112.8144.5148.200000116.1
161T43.4Very low45.3Very low121 Ų121136.8 Ų136.874%0.74281%0.812SS**  cis-171.9136.5-17-77.20000105.3
162S46.3Very low45Very low107 Ų107138.7 Ų138.775%0.74882%0.815SS**  trans17.3133.2160.265.30000123.1
163A45Very low45.3Very low102 Ų102138.8 Ų138.884%0.84381%0.814SS**  178.9127.9117.400000112.5
164L47.5Very low45Very low167 Ų167143.1 Ų143.187%0.87482%0.82SS**  trans-88.4161.9163.7-72.9176.4000108.4
165P50.8Low44.9Very low121 Ų121137.4 Ų137.479%0.78682%0.815SS**  -155.715960.938-13.7000120.4
166Y38.4Very low44.2Very low207 Ų207135.8 Ų135.881%0.81282%0.815SS**  trans2.6127.9140.6-167.2-101.5000120.8
167A45.3Very low43.8Very low95 Ų95142.2 Ų142.279%0.78584%0.835SS**  trans-167.7133.9134.600000111.5
168S37Very low43.5Very low99 Ų99137.4 Ų137.469%0.69283%0.832SS**  trans-108.2136.5171.1-630000109.5
169T54.5Low43.1Very low145 Ų145136.2 Ų136.289%0.8983%0.829SS**  trans-146.6134.1156.449.70000111
170L46.3Very low43.1Very low183 Ų183135.5 Ų135.596%0.95883%0.826SS**  trans-64.2147.7173-7888.8000111.7
171G39.6Very low42.7Very low78 Ų78136.5 Ų136.580%0.80483%0.827SS**  trans-165.3104.3166.800000112.1
172Y42.4Very low42.6Very low231 Ų231136.6 Ų136.691%0.90683%0.831SS**  trans-73.1122.6171.7-122.1-98.6000109.7
173Q45.4Very low42.5Very low190 Ų190137.5 Ų137.589%0.88883%0.834SS**  trans-169.8130.5140.4-121.4-173.863.200113.1
174N38.9Very low42.5Very low160 Ų160136.7 Ų136.786%0.85682%0.823SS**  trans-67.5138.8169.4-77.6-37.1000111.2
175G38.1Very low42.9Very low79 Ų79137.4 Ų137.481%0.81482%0.822SS**  trans179.3129.4170.300000111.2
176A40.5Very low43.2Very low98 Ų98139.6 Ų139.681%0.8182%0.821SS**  trans-74.6164.4-163.800000115.6
177F40.4Very low44.3Very low220 Ų220134.8 Ų134.897%0.96581%0.813SS**  trans77.8112.3153.5-135.3-89.8000117.5
178G38.2Very low45.4Very low70 Ų70133.8 Ų133.872%0.72279%0.792SS**  trans156.996.116800000113.6L180G178-L180 PolarHBondContact O-N 3.22Å; G178-L180 VanDerWaalsContact O-N 3.14Å
179S36.7Very low47.2Very low123 Ų123132.5 Ų132.586%0.8678%0.78SS**  trans-56.2105.6169.2162.10000111.6
180L43.6Very low47.8Very low159 Ų159130.6 Ų130.683%0.83276%0.761SS**  trans-144.5116.7159.2-78.8173000110.6G178G178-L180 PolarHBondContact O-N 3.22Å; G178-L180 VanDerWaalsContact O-N 3.14Å
181S37.6Very low49Very low112 Ų112126.6 Ų126.678%0.78375%0.746SS**  trans-26.8129.7166.248.30000116.6
182C42.2Very low50.3Low123 Ų123124 Ų12483%0.83172%0.716SS**  trans-129.2135.9153.8-77.40000109
183P43.6Very low51.6Low125 Ų125119.5 Ų119.581%0.81271%0.714SS**  trans-89143.2-166.834.4-32.9000113.2
184S46Very low53Low86 Ų86116.4 Ų116.460%0.60171%0.709SS**  trans54.876.3147.9-147.70000118.3H186S184-H186 PolarHBondContact OG-NE2 3Å
185Q54.9Low54.3Low181 Ų181113.4 Ų113.485%0.84669%0.693SS**  trans-90.5111.8144.5-66.8-166.117.800107.7T187Q185-T187 PolarHBondContact O-N 2.86Å; Q185-T187 PolarHBondContact O-OG1 3.07Å
186H57.4Low55.9Low167 Ų167115.8 Ų115.877%0.77369%0.694SS**  trans-63.383.3178.1-74.6-86.5000110.6S184 H188S184-H186 PolarHBondContact OG-NE2 3Å; H186-H188 VanDerWaalsContact C-N 3.33Å; H186-H188 PolarHBondContact O-N 3.19Å
187T60.9Low57.5Low106 Ų106114.6 Ų114.665%0.6569%0.692SS**  trans-7988170.6-48.70000107.3Q185 T189Q185-T187 PolarHBondContact O-N 2.86Å; Q185-T187 PolarHBondContact O-OG1 3.07Å; T187-T189 PolarHBondContact O-N 2.96Å
188H68.7Low59.2Low75 Ų75112 Ų11235%0.34768%0.676SS.*  trans-66.2127171.254.7-46.6000111.5H186 H190 C202 C204H186-H188 VanDerWaalsContact C-N 3.33Å; H186-H188 PolarHBondContact O-N 3.19Å; H188-H190 AromaticContact CD2-NE2 3.86Å; H188-C202 PolarHBondContact CD2-SG 3.33Å; H188-C202 PolarHBondContact CE1-SG 2.93Å; H188-C202 PolarHBondContact ND1-SG 3.42Å; H188-C202 VanDerWaalsContact ND1-SG 3.36Å; H188-C202 PolarHBondContact NE2-SG 2.86Å; H188-C202 PolarHBondContact O-N 3.4Å; H188-C202 VanDerWaalsContact O-N 3.1Å; H188-C204 VanDerWaalsContact CE1-CB 3.49Å; H188-C204 WeakPolarHBondContact CE1-CB 3.46Å; H188-C204 PolarHBondContact CE1-O 2.94Å; H188-C204 WeakPolarHBondContact NE2-CB 3.22Å; H188-C204 PolarHBondContact NE2-SG 3.22Å
189T75.6Confident61.2Low71 Ų71112.8 Ų112.844%0.43667%0.667SS.*EExtended strand (participates in β ladder)trans-114.1142.1171.357.80000108.3T187 V200T187-T189 PolarHBondContact O-N 2.96Å; T189-V200 VanDerWaalsContact CA-O 3.28Å; T189-V200 WeakPolarHBondContact CA-O 3.37Å
190H66.8Low62.9Low106 Ų106110.4 Ų110.449%0.49165%0.647SS.*EExtended strand (participates in β ladder)trans-121.6144.5176-70-74000110.1H188 S192 V200H188-H190 AromaticContact CD2-NE2 3.86Å; H190-S192 PolarHBondContact O-N 3.29Å; H190-V200 PolarHBondContact N-O 3.22Å; H190-V200 WeakPolarHBondContact O-CA 3.45Å; H190-V200 PolarHBondContact O-N 2.91Å
191P72.4Confident64.4Low99 Ų99106.9 Ų106.964%0.64363%0.634SS**EExtended strand (participates in β ladder)trans-59132.7174.222.8-30.8000110.3
192S65.9Low66.2Low23 Ų23103 Ų10316%0.16161%0.607CS.*EExtended strand (participates in β ladder)trans-64.9128.4179.6177.40000110.1H190 T194 N195 Y198H190-S192 PolarHBondContact O-N 3.29Å; S192-T194 PolarHBondContact O-N 2.74Å; S192-T194 PolarHBondContact OG-OG1 2.72Å; S192-N195 CarbonylContact O-C 3.47Å; S192-N195 PolarHBondContact O-N 3.45Å; S192-Y198 VanDerWaalsContact CB-O 3.28Å; S192-Y198 WeakPolarHBondContact CB-O 3.39Å; S192-Y198 PolarHBondContact N-O 3.05Å
193P69.3Low67.4Low136 Ų136104.8 Ų104.888%0.88361%0.608SS**THydrogen-bonded Turntrans-67.3-5.3-178.826.8-34.3000113.8
194T75.9Confident68.6Low126 Ų126102 Ų10277%0.77359%0.59SS**THydrogen-bonded Turntrans-115.2-10.8-179.354.40000113.3S192S192-T194 PolarHBondContact O-N 2.74Å; S192-T194 PolarHBondContact OG-OG1 2.72Å
195N66.4Low69.4Low96 Ų96103.3 Ų103.351%0.51360%0.595SS.*EExtended strand (participates in β ladder)trans-151.198.5-177.1-138.8-24.4000109.3S192 G197 Y198S192-N195 CarbonylContact O-C 3.47Å; S192-N195 PolarHBondContact O-N 3.45Å; N195-G197 PolarHBondContact O-N 3.07Å; N195-Y198 PolarHBondContact O-N 3.3Å
196P71.6Confident69.5Low129 Ų12998.4 Ų98.484%0.83859%0.586SS**EExtended strand (participates in β ladder)trans-59.5-4.8-174.6-25.834.5000116.4
197G74.4Confident69.1Low74 Ų74102.5 Ų102.576%0.76359%0.594SS**EExtended strand (participates in β ladder)trans-107.40.417600000115.4N195N195-G197 PolarHBondContact O-N 3.07Å
198Y75.7Confident68.5Low165 Ų165101.1 Ų101.165%0.64759%0.589SS**EExtended strand (participates in β ladder)trans-112.1126.5-178-127.3-89.2000111S192 N195 V200S192-Y198 VanDerWaalsContact CB-O 3.28Å; S192-Y198 WeakPolarHBondContact CB-O 3.39Å; S192-Y198 PolarHBondContact N-O 3.05Å; N195-Y198 PolarHBondContact O-N 3.3Å; Y198-V200 HydrophobicContact CD1-CG2 4.48Å
199V79.6Confident67.6Low87 Ų87101.5 Ų101.553%0.52761%0.605SS.*EExtended strand (participates in β ladder)trans-91.2119.2173.1-68.10000110.4P201V199-P201 WeakPolarHBondContact O-CD 3.47Å
200V72.7Confident66.6Low72 Ų72103.6 Ų103.644%0.43662%0.623SS.*EExtended strand (participates in β ladder)trans-63.598.3166.3-164.70000115.1T189 H190 Y198 C202T189-V200 VanDerWaalsContact CA-O 3.28Å; T189-V200 WeakPolarHBondContact CA-O 3.37Å; H190-V200 PolarHBondContact N-O 3.22Å; H190-V200 WeakPolarHBondContact O-CA 3.45Å; H190-V200 PolarHBondContact O-N 2.91Å; Y198-V200 HydrophobicContact CD1-CG2 4.48Å; V200-C202 PolarHBondContact O-N 3.24Å
201P74.4Confident65.8Low85 Ų85104.6 Ų104.655%0.55264%0.636SS**EExtended strand (participates in β ladder)trans-56.7116.3163.920.3-30000107.8V199V199-P201 WeakPolarHBondContact O-CD 3.47Å
202C75Confident64.6Low32 Ų32106.5 Ų106.522%0.21664%0.64CS.*  trans-76.6141.5-176.6106.70000108.6H188 V200 C204H188-C202 PolarHBondContact CD2-SG 3.33Å; H188-C202 PolarHBondContact CE1-SG 2.93Å; H188-C202 PolarHBondContact ND1-SG 3.42Å; H188-C202 VanDerWaalsContact ND1-SG 3.36Å; H188-C202 PolarHBondContact NE2-SG 2.86Å; H188-C202 PolarHBondContact O-N 3.4Å; H188-C202 VanDerWaalsContact O-N 3.1Å; V200-C202 PolarHBondContact O-N 3.24Å; C202-C204 WeakPolarHBondContact CB-SG 3.2Å; C202-C204 PolarHBondContact O-N 3.23Å; C202-C204 WeakPolarHBondContact SG-CB 3.44Å; C202-C204 PolarHBondContact SG-N 2.98Å; C202-C204 CovalentContact SG-SG 2.03Å; C202-C204 PolarHBondContact SG-SG 2.77Å
203N68.1Low63.9Low160 Ų160113.6 Ų113.686%0.85667%0.671SS**  trans-86.933.1172.9-168.528000111.8T205N203-T205 PolarHBondContact O-N 3.4Å
204C69.9Low63.2Low65 Ų65111.6 Ų111.644%0.43966%0.658SS.*  trans-80.5109.4177.9-22.60000105.4H188 C202 A206H188-C204 VanDerWaalsContact CE1-CB 3.49Å; H188-C204 WeakPolarHBondContact CE1-CB 3.46Å; H188-C204 PolarHBondContact CE1-O 2.94Å; H188-C204 WeakPolarHBondContact NE2-CB 3.22Å; H188-C204 PolarHBondContact NE2-SG 3.22Å; C202-C204 WeakPolarHBondContact CB-SG 3.2Å; C202-C204 PolarHBondContact O-N 3.23Å; C202-C204 WeakPolarHBondContact SG-CB 3.44Å; C202-C204 PolarHBondContact SG-N 2.98Å; C202-C204 CovalentContact SG-SG 2.03Å; C202-C204 PolarHBondContact SG-SG 2.77Å; C204-A206 PolarHBondContact O-N 3.4Å; C204-A206 VanDerWaalsContact O-N 3.07Å
205T61.9Low62.3Low114 Ų114111.3 Ų111.370%0.69966%0.658SS**  trans-47.6119.6172.9-490000107.3N203 W207N203-T205 PolarHBondContact O-N 3.4Å; T205-W207 PolarHBondContact O-N 2.91Å
206A56.2Low62.1Low79 Ų79112.3 Ų112.365%0.65367%0.668SS**  trans-51.1109.4171.200000106.2C204 S208C204-A206 PolarHBondContact O-N 3.4Å; C204-A206 VanDerWaalsContact O-N 3.07Å; A206-S208 PolarHBondContact O-N 3.29Å
207W50.1Low61.6Low253 Ų253110.1 Ų110.196%0.95866%0.66SS**  trans-65.895.1169.4-75.6-45.6000105.2T205 A209T205-W207 PolarHBondContact O-N 2.91Å; W207-A209 PolarHBondContact O-N 2.86Å
208S48.1Very low61.4Low77 Ų77116.6 Ų116.654%0.53866%0.663SS.*  trans-57109.9166.8-64.80000106.2A206 S210 T211A206-S208 PolarHBondContact O-N 3.29Å; S208-S210 PolarHBondContact O-N 2.97Å; S208-T211 PolarHBondContact O-N 2.91Å
209A50.4Low61Low82 Ų82115.2 Ų115.268%0.67867%0.666SS**G310 helixtrans-55-12.9172.600000112.1W207 T211W207-A209 PolarHBondContact O-N 2.86Å; A209-T211 VanDerWaalsContact C-N 3.27Å; A209-T211 PolarHBondContact O-N 3.11Å
210S54.3Low60.3Low116 Ų116119 Ų11981%0.81168%0.682SS**G310 helixtrans-71.8-2.1176.9-43.70000115.8S208S208-S210 PolarHBondContact O-N 2.97Å
211T49Very low59.9Low126 Ų126124.2 Ų124.277%0.77370%0.699SS**G310 helixtrans-115.46.1175.6-46.80000113.7S208 A209 Q213S208-T211 PolarHBondContact O-N 2.91Å; A209-T211 VanDerWaalsContact C-N 3.27Å; A209-T211 PolarHBondContact O-N 3.11Å; T211-Q213 PolarHBondContact O-N 3.04Å
212L48.3Very low58.9Low139 Ų139126.5 Ų126.573%0.72871%0.714SS**  trans-88.488.2167.1-71.4166.2000108.7P214L212-P214 WeakPolarHBondContact O-CD 3.47Å; L212-P214 VanDerWaalsContact O-N 3.15Å
213Q49.7Very low57.7Low172 Ų172128.3 Ų128.380%0.80474%0.738SS**  trans-56.7113147.4-87.2-81.5-46.200105.5T211T211-Q213 PolarHBondContact O-N 3.04Å
214P55.6Low56.9Low95 Ų95130 Ų13062%0.61774%0.743SS**  trans-58.4137.5174.724.5-31.1000107.4L212 V216L212-P214 WeakPolarHBondContact O-CD 3.47Å; L212-P214 VanDerWaalsContact O-N 3.15Å; P214-V216 PolarHBondContact O-N 2.77Å; P214-V216 VanDerWaalsContact O-N 3.1Å
215P57.5Low56.1Low119 Ų119132.9 Ų132.977%0.77376%0.759SS**  trans-55.9125.3166.924.9-31.4000106.8A217P215-A217 VanDerWaalsContact C-N 3.28Å; P215-A217 PolarHBondContact O-N 3.1Å
216V61Low55.8Low118 Ų118136.7 Ų136.772%0.71577%0.765SS**  trans-56.597.5172.4176.30000106.9P214 Y218P214-V216 PolarHBondContact O-N 2.77Å; P214-V216 VanDerWaalsContact O-N 3.1Å; V216-Y218 HydrophobicContact CG1-CD2 4Å; V216-Y218 HydrophobicContact CG1-CE2 3.79Å; V216-Y218 PolarHBondContact O-N 3.2Å
217A63Low55.7Low82 Ų82139.2 Ų139.268%0.67877%0.773SS**  trans-78.1101.4175.100000106.6P215 I219P215-A217 VanDerWaalsContact C-N 3.28Å; P215-A217 PolarHBondContact O-N 3.1Å; A217-I219 PolarHBondContact O-N 3.17Å; A217-I219 VanDerWaalsContact O-N 3.09Å
218Y68.6Low55.8Low210 Ų210130.3 Ų130.382%0.82476%0.76SS**  trans-65.5107.8165.5-82.3-90.5000108V216 L220V216-Y218 HydrophobicContact CG1-CD2 4Å; V216-Y218 HydrophobicContact CG1-CE2 3.79Å; V216-Y218 PolarHBondContact O-N 3.2Å; Y218-L220 PolarHBondContact O-N 3.09Å; Y218-L220 VanDerWaalsContact O-N 3.17Å
219I68.5Low56.1Low137 Ų137134.5 Ų134.570%0.70378%0.775SS**  trans-73.5101.2169.5-61.6171.8000106.4A217 F221A217-I219 PolarHBondContact O-N 3.17Å; A217-I219 VanDerWaalsContact O-N 3.09Å; I219-F221 PolarHBondContact O-N 3.31Å
220L64.4Low55.9Low166 Ų166138.3 Ų138.387%0.86978%0.784SS**  trans-78105.6172.3-167.270.1000108.1Y218Y218-L220 PolarHBondContact O-N 3.09Å; Y218-L220 VanDerWaalsContact O-N 3.17Å
221F63.6Low56Low182 Ų182137.9 Ų137.980%0.79878%0.778SS**  trans-62.6130.7174.4-77.5-88.4000110.6I219I219-F221 PolarHBondContact O-N 3.31Å
222P55Low55.7Low132 Ų132142.4 Ų142.486%0.85778%0.783SS**  trans-83.5120.3176.130.6-28.3000110.1
223G48.1Very low56Low70 Ų70140.6 Ų140.672%0.72278%0.782SS**  trans145.178.4162.800000116
224M51.8Low56Low196 Ų196137.2 Ų137.297%0.96678%0.777SS**  trans-140.4125.9145.2-68.7-174.67100108.6
225T54.2Low56Low125 Ų125137.6 Ų137.677%0.76779%0.788SS**  trans-81.1153-170.350.70000113.4
226K54Low55.7Low194 Ų194141 Ų14184%0.84379%0.793SS**  trans62.3134.5146.7-88.1178.6172.2173.90116
227T54.9Low55.2Low132 Ų132139.7 Ų139.781%0.8180%0.795SS**  cis-171.4136.123.636.60000103.2
228G51.3Low54.5Low67 Ų67143.1 Ų143.169%0.69181%0.808SS**  133.5147.965.300000109.2
229I55Low53.7Low164 Ų164137.6 Ų137.684%0.84181%0.805SS**  trans84.591156-52.7162.8000117
230D47Very low52.5Low162 Ų162144.1 Ų144.187%0.86684%0.836SS**  -90.7153.2129.5-68.5-51.8000107
231P56.4Low51.9Low108 Ų108143 Ų14370%0.70184%0.835SS**  -152.9151.590.635.8-15.2000116.1
232Y42.3Very low51.3Low220 Ų220140.9 Ų140.986%0.86384%0.836SS**  50.3118.5128-143.3-91.8000119.2
233S54.4Low51.1Low101 Ų101141.4 Ų141.471%0.70684%0.835SS**  170.5145.5111.5-162.90000112.8
234S49.9Very low51.3Low101 Ų101145.6 Ų145.671%0.70684%0.842SS**  trans-58.5148.2178.957.90000115.6
235A55.7Low51.2Low103 Ų103142.5 Ų142.585%0.85183%0.834SS**  trans-148.3107.6143.800000110.2
236H50.8Low51Low191 Ų191143.7 Ų143.788%0.88484%0.839SS**  trans-68.6158.3163.2-105.8-109.6000110.7
237A50.9Low50.8Low91 Ų91140.1 Ų140.175%0.75284%0.838SS**  trans83.7102.1152.400000119.2
238T49Very low50.5Low153 Ų153140.7 Ų140.794%0.93984%0.841SS**  trans-148.197.5136.7-61.60000108.7
239A50.7Low50.4Low94 Ų94146.8 Ų146.878%0.77785%0.853SS**  trans-156110.6160.800000109
240M43.1Very low50Low274 Ų274145.3 Ų145.3100%1.3585%0.854SS**  trans68.50167.4-57.1-155.3173.600118.8

Retrieved 240 of 240 residues in 83.3 ms (Link to these results)

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